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 -73:sc= 1.09 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.493 K(o=1.6,f=-2.9!) USER MOD Set 2.1: A 15 THR OG1 : rot 76:sc= 0.876 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.498 K(o=0.38,f=-3.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.003 USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0918) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc=-0.00244 (180deg=-0.0934) USER MOD Single : A 19 CYS SG : rot -25:sc= 0.0684 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.059) USER MOD Single : B 12 TYR OH : rot 68:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0.832 K(o=0.83,f=-5!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0403) USER MOD Single : B 22 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.01) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.026) USER MOD Single : C 18 LYS NZ :NH3+ -178:sc= 0.58 (180deg=0.56) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0431) USER MOD Single : D 12 TYR OH : rot 180:sc= 0.904 USER MOD Single : D 15 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : D 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0214) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 0.832 K(o=0.83,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.381 7.361 6.046 1.00 10.00 N ATOM 88 CA PRO A 6 -4.639 7.456 5.319 1.00 10.00 C ATOM 89 C PRO A 6 -5.609 6.379 5.836 1.00 10.00 C ATOM 90 O PRO A 6 -5.162 5.300 6.222 1.00 10.00 O ATOM 91 CB PRO A 6 -4.257 7.224 3.856 1.00 10.00 C ATOM 92 CG PRO A 6 -3.091 6.241 3.959 1.00 10.00 C ATOM 93 CD PRO A 6 -2.382 6.660 5.248 1.00 10.00 C ATOM 0 HA PRO A 6 -5.144 8.414 5.446 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.086 6.809 3.283 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -3.962 8.151 3.364 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.439 5.209 4.010 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.429 6.312 3.096 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.996 5.791 5.781 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.531 7.306 5.033 1.00 10.00 H new ATOM 101 N PRO A 7 -6.932 6.610 5.818 1.00 10.00 N ATOM 102 CA PRO A 7 -7.911 5.608 6.241 1.00 10.00 C ATOM 103 C PRO A 7 -7.764 4.306 5.437 1.00 10.00 C ATOM 104 O PRO A 7 -7.944 3.211 5.968 1.00 10.00 O ATOM 105 CB PRO A 7 -9.280 6.272 6.054 1.00 10.00 C ATOM 106 CG PRO A 7 -9.027 7.332 4.983 1.00 10.00 C ATOM 107 CD PRO A 7 -7.595 7.783 5.272 1.00 10.00 C ATOM 0 HA PRO A 7 -7.768 5.307 7.279 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.034 5.552 5.734 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.638 6.718 6.982 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.125 6.921 3.978 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.733 8.159 5.060 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.100 8.129 4.365 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.578 8.611 5.980 1.00 10.00 H new ATOM 115 N GLY A 8 -7.363 4.433 4.167 1.00 10.00 N ATOM 116 CA GLY A 8 -6.937 3.331 3.313 1.00 10.00 C ATOM 117 C GLY A 8 -5.989 2.337 4.001 1.00 10.00 C ATOM 118 O GLY A 8 -6.113 1.136 3.786 1.00 10.00 O ATOM 0 H GLY A 8 -7.327 5.337 3.695 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.819 2.794 2.964 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.442 3.738 2.431 1.00 10.00 H new ATOM 122 N PHE A 9 -5.050 2.806 4.833 1.00 10.00 N ATOM 123 CA PHE A 9 -4.153 1.919 5.578 1.00 10.00 C ATOM 124 C PHE A 9 -4.944 1.016 6.539 1.00 10.00 C ATOM 125 O PHE A 9 -4.861 -0.211 6.475 1.00 10.00 O ATOM 126 CB PHE A 9 -3.096 2.755 6.315 1.00 10.00 C ATOM 127 CG PHE A 9 -2.380 2.011 7.422 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.685 0.827 7.122 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.561 2.397 8.763 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.179 0.028 8.159 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.058 1.593 9.801 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.395 0.392 9.499 1.00 10.00 C ATOM 0 H PHE A 9 -4.893 3.799 5.006 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.639 1.259 4.879 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.359 3.107 5.593 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.576 3.638 6.737 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.540 0.532 6.093 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.087 3.311 8.995 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.623 -0.868 7.927 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.181 1.899 10.830 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.052 -0.251 10.296 1.00 10.00 H new ATOM 142 N THR A 10 -5.741 1.625 7.417 1.00 10.00 N ATOM 143 CA THR A 10 -6.614 0.910 8.342 1.00 10.00 C ATOM 144 C THR A 10 -7.526 -0.073 7.599 1.00 10.00 C ATOM 145 O THR A 10 -7.620 -1.244 7.971 1.00 10.00 O ATOM 146 CB THR A 10 -7.425 1.930 9.155 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.550 2.894 9.701 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.182 1.262 10.303 1.00 10.00 C ATOM 0 H THR A 10 -5.798 2.640 7.505 1.00 10.00 H new ATOM 0 HA THR A 10 -6.006 0.316 9.025 1.00 10.00 H new ATOM 0 HB THR A 10 -8.147 2.393 8.482 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.065 3.547 10.219 1.00 10.00 H new ATOM 0 HG21 THR A 10 -8.744 2.015 10.855 1.00 10.00 H new ATOM 0 HG22 THR A 10 -8.870 0.518 9.901 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.472 0.776 10.972 1.00 10.00 H new ATOM 156 N ALA A 11 -8.173 0.395 6.526 1.00 10.00 N ATOM 157 CA ALA A 11 -9.009 -0.433 5.661 1.00 10.00 C ATOM 158 C ALA A 11 -8.236 -1.625 5.073 1.00 10.00 C ATOM 159 O ALA A 11 -8.688 -2.766 5.172 1.00 10.00 O ATOM 160 CB ALA A 11 -9.625 0.445 4.569 1.00 10.00 C ATOM 0 H ALA A 11 -8.128 1.371 6.234 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.809 -0.868 6.260 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.251 -0.167 3.920 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.233 1.224 5.029 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.831 0.904 3.980 1.00 10.00 H new ATOM 166 N LEU A 12 -7.050 -1.384 4.504 1.00 10.00 N ATOM 167 CA LEU A 12 -6.146 -2.423 4.011 1.00 10.00 C ATOM 168 C LEU A 12 -5.868 -3.464 5.099 1.00 10.00 C ATOM 169 O LEU A 12 -6.101 -4.649 4.877 1.00 10.00 O ATOM 170 CB LEU A 12 -4.867 -1.772 3.455 1.00 10.00 C ATOM 171 CG LEU A 12 -3.878 -2.732 2.765 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.924 -1.902 1.900 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.023 -3.547 3.748 1.00 10.00 C ATOM 0 H LEU A 12 -6.686 -0.440 4.372 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.617 -2.965 3.191 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.154 -1.000 2.741 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.349 -1.272 4.274 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.475 -3.436 2.185 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.215 -2.564 1.402 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.496 -1.354 1.151 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.382 -1.197 2.530 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.351 -4.200 3.191 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.438 -2.869 4.370 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.673 -4.151 4.382 1.00 10.00 H new ATOM 185 N ILE A 13 -5.408 -3.046 6.284 1.00 10.00 N ATOM 186 CA ILE A 13 -5.160 -3.980 7.386 1.00 10.00 C ATOM 187 C ILE A 13 -6.418 -4.780 7.757 1.00 10.00 C ATOM 188 O ILE A 13 -6.373 -6.008 7.807 1.00 10.00 O ATOM 189 CB ILE A 13 -4.559 -3.261 8.606 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.171 -2.660 8.313 1.00 10.00 C ATOM 191 CG2 ILE A 13 -4.477 -4.209 9.812 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.074 -3.684 7.989 1.00 10.00 C ATOM 0 H ILE A 13 -5.201 -2.072 6.503 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.422 -4.702 7.037 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.230 -2.435 8.842 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.261 -1.969 7.475 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -2.856 -2.074 9.177 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.049 -3.679 10.663 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.477 -4.559 10.068 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -3.847 -5.062 9.562 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.135 -3.164 7.798 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -1.948 -4.362 8.833 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.359 -4.255 7.105 1.00 10.00 H new ATOM 204 N LYS A 14 -7.555 -4.120 7.990 1.00 10.00 N ATOM 205 CA LYS A 14 -8.807 -4.837 8.244 1.00 10.00 C ATOM 206 C LYS A 14 -9.102 -5.865 7.138 1.00 10.00 C ATOM 207 O LYS A 14 -9.413 -7.022 7.417 1.00 10.00 O ATOM 208 CB LYS A 14 -9.953 -3.839 8.435 1.00 10.00 C ATOM 209 CG LYS A 14 -9.819 -3.119 9.783 1.00 10.00 C ATOM 210 CD LYS A 14 -10.950 -2.099 9.955 1.00 10.00 C ATOM 211 CE LYS A 14 -10.880 -1.408 11.322 1.00 10.00 C ATOM 212 NZ LYS A 14 -11.181 -2.342 12.423 1.00 10.00 N ATOM 0 H LYS A 14 -7.635 -3.103 8.008 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.704 -5.406 9.168 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.947 -3.110 7.625 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.909 -4.361 8.388 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.848 -3.845 10.595 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.854 -2.615 9.840 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.890 -1.351 9.164 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.912 -2.600 9.848 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -9.886 -0.985 11.465 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.586 -0.578 11.346 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.308 -1.808 13.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.054 -2.865 12.206 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.394 -3.013 12.534 1.00 10.00 H new ATOM 226 N THR A 15 -8.936 -5.476 5.873 1.00 10.00 N ATOM 227 CA THR A 15 -9.072 -6.395 4.743 1.00 10.00 C ATOM 228 C THR A 15 -8.039 -7.535 4.794 1.00 10.00 C ATOM 229 O THR A 15 -8.367 -8.671 4.469 1.00 10.00 O ATOM 230 CB THR A 15 -9.030 -5.635 3.409 1.00 10.00 C ATOM 231 OG1 THR A 15 -9.914 -4.539 3.452 1.00 10.00 O ATOM 232 CG2 THR A 15 -9.528 -6.516 2.265 1.00 10.00 C ATOM 0 H THR A 15 -8.705 -4.520 5.604 1.00 10.00 H new ATOM 0 HA THR A 15 -10.051 -6.868 4.821 1.00 10.00 H new ATOM 0 HB THR A 15 -7.997 -5.326 3.251 1.00 10.00 H new ATOM 0 HG1 THR A 15 -9.517 -3.819 3.986 1.00 10.00 H new ATOM 0 HG21 THR A 15 -9.489 -5.956 1.331 1.00 10.00 H new ATOM 0 HG22 THR A 15 -8.896 -7.400 2.185 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.556 -6.822 2.462 1.00 10.00 H new ATOM 240 N LEU A 16 -6.807 -7.274 5.242 1.00 10.00 N ATOM 241 CA LEU A 16 -5.797 -8.305 5.491 1.00 10.00 C ATOM 242 C LEU A 16 -6.270 -9.329 6.540 1.00 10.00 C ATOM 243 O LEU A 16 -6.053 -10.533 6.388 1.00 10.00 O ATOM 244 CB LEU A 16 -4.459 -7.650 5.873 1.00 10.00 C ATOM 245 CG LEU A 16 -3.286 -8.644 5.834 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.135 -8.099 4.984 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.779 -8.916 7.254 1.00 10.00 C ATOM 0 H LEU A 16 -6.480 -6.329 5.444 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.643 -8.869 4.571 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.254 -6.824 5.192 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.538 -7.225 6.874 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.646 -9.571 5.388 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.318 -8.820 4.972 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.484 -7.929 3.965 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.783 -7.159 5.408 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.949 -9.621 7.215 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.442 -7.983 7.705 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.585 -9.338 7.854 1.00 10.00 H new ATOM 259 N ARG A 17 -6.968 -8.864 7.582 1.00 10.00 N ATOM 260 CA ARG A 17 -7.664 -9.763 8.505 1.00 10.00 C ATOM 261 C ARG A 17 -8.739 -10.582 7.771 1.00 10.00 C ATOM 262 O ARG A 17 -8.757 -11.806 7.870 1.00 10.00 O ATOM 263 CB ARG A 17 -8.261 -9.012 9.707 1.00 10.00 C ATOM 264 CG ARG A 17 -7.245 -8.124 10.432 1.00 10.00 C ATOM 265 CD ARG A 17 -7.923 -7.361 11.575 1.00 10.00 C ATOM 266 NE ARG A 17 -7.105 -6.217 12.006 1.00 10.00 N ATOM 267 CZ ARG A 17 -6.000 -6.275 12.754 1.00 10.00 C ATOM 268 NH1 ARG A 17 -5.531 -7.436 13.201 1.00 10.00 N ATOM 269 NH2 ARG A 17 -5.362 -5.149 13.055 1.00 10.00 N ATOM 0 H ARG A 17 -7.065 -7.874 7.806 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.921 -10.455 8.901 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -9.093 -8.396 9.365 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.669 -9.736 10.412 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -6.433 -8.736 10.826 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -6.801 -7.419 9.729 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -8.903 -7.010 11.251 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.087 -8.033 12.418 1.00 10.00 H new ATOM 0 HE ARG A 17 -7.411 -5.292 11.705 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -6.017 -8.304 12.974 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -4.685 -7.459 13.771 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -5.717 -4.255 12.716 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -4.517 -5.178 13.625 1.00 10.00 H new ATOM 283 N LYS A 18 -9.617 -9.929 6.996 1.00 10.00 N ATOM 284 CA LYS A 18 -10.630 -10.633 6.195 1.00 10.00 C ATOM 285 C LYS A 18 -10.023 -11.658 5.218 1.00 10.00 C ATOM 286 O LYS A 18 -10.587 -12.729 5.022 1.00 10.00 O ATOM 287 CB LYS A 18 -11.556 -9.652 5.458 1.00 10.00 C ATOM 288 CG LYS A 18 -12.255 -8.620 6.356 1.00 10.00 C ATOM 289 CD LYS A 18 -13.011 -9.254 7.533 1.00 10.00 C ATOM 290 CE LYS A 18 -13.750 -8.187 8.350 1.00 10.00 C ATOM 291 NZ LYS A 18 -12.810 -7.271 9.022 1.00 10.00 N ATOM 0 H LYS A 18 -9.646 -8.913 6.907 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.231 -11.198 6.907 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -10.973 -9.121 4.706 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -12.317 -10.224 4.927 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -11.512 -7.923 6.743 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.954 -8.039 5.754 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.724 -9.989 7.159 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -12.310 -9.788 8.175 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -14.408 -7.617 7.694 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.382 -8.671 9.094 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -13.330 -6.673 9.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -12.092 -7.824 9.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -12.344 -6.670 8.313 1.00 10.00 H new ATOM 305 N CYS A 19 -8.845 -11.369 4.654 1.00 10.00 N ATOM 306 CA CYS A 19 -8.049 -12.291 3.839 1.00 10.00 C ATOM 307 C CYS A 19 -7.434 -13.452 4.656 1.00 10.00 C ATOM 308 O CYS A 19 -6.685 -14.260 4.117 1.00 10.00 O ATOM 309 CB CYS A 19 -6.999 -11.468 3.074 1.00 10.00 C ATOM 310 SG CYS A 19 -5.840 -12.343 1.983 1.00 10.00 S ATOM 0 H CYS A 19 -8.405 -10.454 4.757 1.00 10.00 H new ATOM 0 HA CYS A 19 -8.702 -12.794 3.126 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.530 -10.731 2.471 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.411 -10.916 3.808 1.00 10.00 H new ATOM 0 HG CYS A 19 -5.711 -13.573 2.384 1.00 10.00 H new ATOM 315 N LYS A 20 -7.766 -13.576 5.946 1.00 10.00 N ATOM 316 CA LYS A 20 -7.424 -14.719 6.794 1.00 10.00 C ATOM 317 C LYS A 20 -5.920 -14.779 7.115 1.00 10.00 C ATOM 318 O LYS A 20 -5.399 -15.837 7.461 1.00 10.00 O ATOM 319 CB LYS A 20 -7.975 -16.030 6.192 1.00 10.00 C ATOM 320 CG LYS A 20 -9.501 -16.000 5.980 1.00 10.00 C ATOM 321 CD LYS A 20 -9.948 -16.691 4.679 1.00 10.00 C ATOM 322 CE LYS A 20 -9.641 -15.832 3.443 1.00 10.00 C ATOM 323 NZ LYS A 20 -10.244 -16.393 2.221 1.00 10.00 N ATOM 0 H LYS A 20 -8.297 -12.860 6.442 1.00 10.00 H new ATOM 0 HA LYS A 20 -7.914 -14.583 7.758 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -7.485 -16.219 5.237 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -7.721 -16.861 6.851 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -9.988 -16.484 6.826 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -9.839 -14.964 5.968 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -9.445 -17.653 4.587 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -11.018 -16.894 4.724 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -10.016 -14.821 3.601 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -8.561 -15.755 3.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -10.014 -15.785 1.410 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -9.868 -17.348 2.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -11.277 -16.443 2.335 1.00 10.00 H new ATOM 337 N ILE A 21 -5.220 -13.639 7.036 1.00 10.00 N ATOM 338 CA ILE A 21 -3.779 -13.563 7.285 1.00 10.00 C ATOM 339 C ILE A 21 -3.481 -13.306 8.771 1.00 10.00 C ATOM 340 O ILE A 21 -2.564 -13.902 9.330 1.00 10.00 O ATOM 341 CB ILE A 21 -3.149 -12.486 6.383 1.00 10.00 C ATOM 342 CG1 ILE A 21 -3.551 -12.621 4.902 1.00 10.00 C ATOM 343 CG2 ILE A 21 -1.619 -12.486 6.514 1.00 10.00 C ATOM 344 CD1 ILE A 21 -3.249 -13.991 4.284 1.00 10.00 C ATOM 0 H ILE A 21 -5.642 -12.742 6.796 1.00 10.00 H new ATOM 0 HA ILE A 21 -3.329 -14.524 7.036 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.544 -11.533 6.734 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -4.619 -12.422 4.809 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.032 -11.854 4.326 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.198 -11.716 5.867 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.342 -12.281 7.548 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.229 -13.460 6.220 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.564 -13.997 3.241 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -2.178 -14.188 4.341 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -3.789 -14.764 4.831 1.00 10.00 H new ATOM 356 N ILE A 22 -4.246 -12.407 9.404 1.00 10.00 N ATOM 357 CA ILE A 22 -4.145 -12.089 10.833 1.00 10.00 C ATOM 358 C ILE A 22 -5.513 -12.261 11.508 1.00 10.00 C ATOM 359 O ILE A 22 -6.422 -11.473 11.165 1.00 10.00 O ATOM 360 CB ILE A 22 -3.572 -10.668 11.028 1.00 10.00 C ATOM 361 CG1 ILE A 22 -2.151 -10.585 10.438 1.00 10.00 C ATOM 362 CG2 ILE A 22 -3.547 -10.292 12.520 1.00 10.00 C ATOM 363 CD1 ILE A 22 -1.521 -9.193 10.556 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.624 -13.167 12.362 1.00 10.00 O ATOM 0 H ILE A 22 -4.968 -11.869 8.925 1.00 10.00 H new ATOM 0 HA ILE A 22 -3.454 -12.783 11.312 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.217 -9.962 10.505 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -1.513 -11.308 10.945 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -2.185 -10.872 9.387 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.140 -9.287 12.635 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.561 -10.321 12.920 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.923 -11.001 13.064 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.522 -9.208 10.121 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.138 -8.468 10.024 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.455 -8.912 11.607 1.00 10.00 H new ATOM 465 N ILE B 7 0.824 9.418 -4.910 1.00 10.00 N ATOM 466 CA ILE B 7 0.125 8.658 -5.947 1.00 10.00 C ATOM 467 C ILE B 7 0.634 7.212 -6.078 1.00 10.00 C ATOM 468 O ILE B 7 -0.160 6.290 -6.249 1.00 10.00 O ATOM 469 CB ILE B 7 0.158 9.416 -7.290 1.00 10.00 C ATOM 470 CG1 ILE B 7 1.589 9.607 -7.830 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.567 10.762 -7.139 1.00 10.00 C ATOM 472 CD1 ILE B 7 1.625 10.344 -9.172 1.00 10.00 C ATOM 0 HA ILE B 7 -0.916 8.569 -5.637 1.00 10.00 H new ATOM 0 HB ILE B 7 -0.362 8.808 -8.030 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.177 10.163 -7.100 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.062 8.632 -7.944 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -0.543 11.297 -8.089 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.603 10.587 -6.847 1.00 10.00 H new ATOM 0 HG23 ILE B 7 -0.071 11.359 -6.374 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.659 10.449 -9.502 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.063 9.777 -9.914 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.179 11.332 -9.057 1.00 10.00 H new ATOM 484 N GLU B 8 1.950 6.996 -5.970 1.00 10.00 N ATOM 485 CA GLU B 8 2.565 5.676 -6.044 1.00 10.00 C ATOM 486 C GLU B 8 2.150 4.836 -4.828 1.00 10.00 C ATOM 487 O GLU B 8 1.655 3.717 -4.973 1.00 10.00 O ATOM 488 CB GLU B 8 4.089 5.850 -6.134 1.00 10.00 C ATOM 489 CG GLU B 8 4.816 4.528 -6.423 1.00 10.00 C ATOM 490 CD GLU B 8 6.320 4.677 -6.222 1.00 10.00 C ATOM 491 OE1 GLU B 8 6.998 5.112 -7.177 1.00 10.00 O ATOM 492 OE2 GLU B 8 6.771 4.389 -5.093 1.00 10.00 O ATOM 0 H GLU B 8 2.624 7.748 -5.827 1.00 10.00 H new ATOM 0 HA GLU B 8 2.226 5.142 -6.932 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.324 6.569 -6.919 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.460 6.268 -5.198 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.433 3.747 -5.766 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.612 4.212 -7.446 1.00 10.00 H new ATOM 499 N ALA B 9 2.319 5.400 -3.626 1.00 10.00 N ATOM 500 CA ALA B 9 1.845 4.789 -2.388 1.00 10.00 C ATOM 501 C ALA B 9 0.359 4.432 -2.465 1.00 10.00 C ATOM 502 O ALA B 9 -0.023 3.305 -2.166 1.00 10.00 O ATOM 503 CB ALA B 9 2.108 5.727 -1.211 1.00 10.00 C ATOM 0 H ALA B 9 2.790 6.294 -3.489 1.00 10.00 H new ATOM 0 HA ALA B 9 2.396 3.860 -2.239 1.00 10.00 H new ATOM 0 HB1 ALA B 9 1.752 5.265 -0.291 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.178 5.918 -1.130 1.00 10.00 H new ATOM 0 HB3 ALA B 9 1.582 6.668 -1.371 1.00 10.00 H new ATOM 509 N ARG B 10 -0.484 5.385 -2.866 1.00 10.00 N ATOM 510 CA ARG B 10 -1.922 5.186 -2.962 1.00 10.00 C ATOM 511 C ARG B 10 -2.294 4.131 -4.011 1.00 10.00 C ATOM 512 O ARG B 10 -3.125 3.271 -3.736 1.00 10.00 O ATOM 513 CB ARG B 10 -2.618 6.534 -3.190 1.00 10.00 C ATOM 514 CG ARG B 10 -4.126 6.481 -2.893 1.00 10.00 C ATOM 515 CD ARG B 10 -4.466 6.295 -1.405 1.00 10.00 C ATOM 516 NE ARG B 10 -4.003 7.431 -0.587 1.00 10.00 N ATOM 517 CZ ARG B 10 -2.907 7.499 0.182 1.00 10.00 C ATOM 518 NH1 ARG B 10 -2.032 6.503 0.268 1.00 10.00 N ATOM 519 NH2 ARG B 10 -2.679 8.598 0.888 1.00 10.00 N ATOM 0 H ARG B 10 -0.181 6.321 -3.134 1.00 10.00 H new ATOM 0 HA ARG B 10 -2.282 4.782 -2.016 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -2.153 7.290 -2.557 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.466 6.847 -4.223 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -4.588 7.402 -3.248 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -4.569 5.663 -3.461 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -5.544 6.181 -1.291 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -4.008 5.375 -1.041 1.00 10.00 H new ATOM 0 HE ARG B 10 -4.588 8.267 -0.609 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.182 5.645 -0.263 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -1.211 6.596 0.865 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -3.334 9.379 0.842 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -1.849 8.663 1.477 1.00 10.00 H new ATOM 533 N LYS B 11 -1.666 4.151 -5.191 1.00 10.00 N ATOM 534 CA LYS B 11 -1.844 3.105 -6.196 1.00 10.00 C ATOM 535 C LYS B 11 -1.472 1.722 -5.639 1.00 10.00 C ATOM 536 O LYS B 11 -2.275 0.790 -5.706 1.00 10.00 O ATOM 537 CB LYS B 11 -1.041 3.457 -7.455 1.00 10.00 C ATOM 538 CG LYS B 11 -1.225 2.403 -8.554 1.00 10.00 C ATOM 539 CD LYS B 11 -0.556 2.877 -9.851 1.00 10.00 C ATOM 540 CE LYS B 11 -0.570 1.782 -10.925 1.00 10.00 C ATOM 541 NZ LYS B 11 -1.941 1.383 -11.288 1.00 10.00 N ATOM 0 H LYS B 11 -1.023 4.891 -5.473 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.898 3.051 -6.469 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.356 4.431 -7.828 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.016 3.539 -7.202 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -0.791 1.455 -8.237 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -2.287 2.226 -8.726 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -1.072 3.761 -10.225 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.473 3.172 -9.644 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -0.049 2.139 -11.813 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.023 0.912 -10.563 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -1.909 0.717 -12.086 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -2.397 0.925 -10.473 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -2.487 2.225 -11.562 1.00 10.00 H new ATOM 555 N TYR B 12 -0.265 1.582 -5.077 1.00 10.00 N ATOM 556 CA TYR B 12 0.164 0.345 -4.426 1.00 10.00 C ATOM 557 C TYR B 12 -0.853 -0.113 -3.370 1.00 10.00 C ATOM 558 O TYR B 12 -1.379 -1.221 -3.454 1.00 10.00 O ATOM 559 CB TYR B 12 1.560 0.528 -3.816 1.00 10.00 C ATOM 560 CG TYR B 12 1.978 -0.632 -2.930 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.334 -1.864 -3.511 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.806 -0.543 -1.535 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.520 -2.999 -2.702 1.00 10.00 C ATOM 564 CE2 TYR B 12 1.973 -1.683 -0.731 1.00 10.00 C ATOM 565 CZ TYR B 12 2.323 -2.910 -1.315 1.00 10.00 C ATOM 566 OH TYR B 12 2.454 -4.013 -0.532 1.00 10.00 O ATOM 0 H TYR B 12 0.437 2.322 -5.062 1.00 10.00 H new ATOM 0 HA TYR B 12 0.218 -0.441 -5.180 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.288 0.646 -4.618 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.577 1.448 -3.232 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.465 -1.938 -4.581 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.545 0.403 -1.083 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.814 -3.938 -3.147 1.00 10.00 H new ATOM 0 HE2 TYR B 12 1.832 -1.615 0.338 1.00 10.00 H new ATOM 0 HH TYR B 12 3.393 -4.294 -0.517 1.00 10.00 H new ATOM 576 N LEU B 13 -1.138 0.750 -2.390 1.00 10.00 N ATOM 577 CA LEU B 13 -2.112 0.526 -1.326 1.00 10.00 C ATOM 578 C LEU B 13 -3.443 0.030 -1.901 1.00 10.00 C ATOM 579 O LEU B 13 -3.921 -1.034 -1.518 1.00 10.00 O ATOM 580 CB LEU B 13 -2.246 1.829 -0.517 1.00 10.00 C ATOM 581 CG LEU B 13 -3.099 1.755 0.761 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.812 3.000 1.611 1.00 10.00 C ATOM 583 CD2 LEU B 13 -4.605 1.701 0.476 1.00 10.00 C ATOM 0 H LEU B 13 -0.677 1.657 -2.316 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.776 -0.262 -0.652 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.246 2.165 -0.242 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.671 2.593 -1.168 1.00 10.00 H new ATOM 0 HG LEU B 13 -2.830 0.834 1.278 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.409 2.964 2.522 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -1.754 3.027 1.871 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -3.069 3.895 1.044 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -5.152 1.650 1.417 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -4.904 2.596 -0.069 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -4.831 0.819 -0.123 1.00 10.00 H new ATOM 595 N GLU B 14 -4.026 0.777 -2.842 1.00 10.00 N ATOM 596 CA GLU B 14 -5.270 0.418 -3.511 1.00 10.00 C ATOM 597 C GLU B 14 -5.207 -0.982 -4.134 1.00 10.00 C ATOM 598 O GLU B 14 -6.052 -1.824 -3.843 1.00 10.00 O ATOM 599 CB GLU B 14 -5.613 1.503 -4.544 1.00 10.00 C ATOM 600 CG GLU B 14 -6.870 1.178 -5.370 1.00 10.00 C ATOM 601 CD GLU B 14 -8.102 0.885 -4.515 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.397 1.725 -3.637 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.726 -0.169 -4.763 1.00 10.00 O ATOM 0 H GLU B 14 -3.636 1.663 -3.163 1.00 10.00 H new ATOM 0 HA GLU B 14 -6.070 0.371 -2.773 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.760 2.452 -4.029 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.767 1.634 -5.218 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.088 2.017 -6.031 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -6.665 0.316 -6.005 1.00 10.00 H new ATOM 610 N GLN B 15 -4.216 -1.256 -4.989 1.00 10.00 N ATOM 611 CA GLN B 15 -4.111 -2.564 -5.635 1.00 10.00 C ATOM 612 C GLN B 15 -3.894 -3.705 -4.625 1.00 10.00 C ATOM 613 O GLN B 15 -4.521 -4.759 -4.724 1.00 10.00 O ATOM 614 CB GLN B 15 -3.033 -2.531 -6.722 1.00 10.00 C ATOM 615 CG GLN B 15 -3.441 -1.567 -7.847 1.00 10.00 C ATOM 616 CD GLN B 15 -2.661 -1.825 -9.126 1.00 10.00 C ATOM 617 OE1 GLN B 15 -3.191 -2.376 -10.085 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.392 -1.443 -9.160 1.00 10.00 N ATOM 0 H GLN B 15 -3.483 -0.595 -5.247 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.066 -2.780 -6.114 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.082 -2.217 -6.292 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.884 -3.532 -7.127 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -4.508 -1.671 -8.045 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.276 -0.540 -7.522 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -0.975 -0.987 -8.349 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.833 -1.605 -9.997 1.00 10.00 H new ATOM 627 N LEU B 16 -3.037 -3.495 -3.624 1.00 10.00 N ATOM 628 CA LEU B 16 -2.822 -4.442 -2.532 1.00 10.00 C ATOM 629 C LEU B 16 -4.150 -4.725 -1.798 1.00 10.00 C ATOM 630 O LEU B 16 -4.593 -5.868 -1.701 1.00 10.00 O ATOM 631 CB LEU B 16 -1.713 -3.872 -1.625 1.00 10.00 C ATOM 632 CG LEU B 16 -0.951 -4.863 -0.731 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.862 -5.617 0.234 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.117 -5.860 -1.545 1.00 10.00 C ATOM 0 H LEU B 16 -2.467 -2.652 -3.549 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.487 -5.412 -2.900 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -0.987 -3.364 -2.260 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.160 -3.114 -0.982 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.274 -4.247 -0.139 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.266 -6.301 0.838 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.370 -4.906 0.886 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -2.602 -6.183 -0.332 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.402 -6.538 -0.868 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.773 -6.433 -2.201 1.00 10.00 H new ATOM 0 HD23 LEU B 16 0.613 -5.318 -2.146 1.00 10.00 H new ATOM 646 N HIS B 17 -4.830 -3.673 -1.336 1.00 10.00 N ATOM 647 CA HIS B 17 -6.151 -3.741 -0.712 1.00 10.00 C ATOM 648 C HIS B 17 -7.188 -4.450 -1.604 1.00 10.00 C ATOM 649 O HIS B 17 -7.987 -5.245 -1.107 1.00 10.00 O ATOM 650 CB HIS B 17 -6.580 -2.316 -0.342 1.00 10.00 C ATOM 651 CG HIS B 17 -7.839 -2.207 0.482 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.893 -3.096 0.506 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.186 -1.137 1.264 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.852 -2.563 1.280 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.465 -1.374 1.770 1.00 10.00 N ATOM 0 H HIS B 17 -4.464 -2.722 -1.388 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.092 -4.350 0.190 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.766 -1.842 0.206 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.719 -1.747 -1.261 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.936 -3.994 0.024 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -7.578 -0.265 1.455 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.806 -3.028 1.481 1.00 10.00 H new ATOM 663 N ARG B 18 -7.194 -4.167 -2.908 1.00 10.00 N ATOM 664 CA ARG B 18 -8.044 -4.832 -3.893 1.00 10.00 C ATOM 665 C ARG B 18 -7.765 -6.342 -3.936 1.00 10.00 C ATOM 666 O ARG B 18 -8.693 -7.148 -3.868 1.00 10.00 O ATOM 667 CB ARG B 18 -7.826 -4.165 -5.257 1.00 10.00 C ATOM 668 CG ARG B 18 -8.720 -4.733 -6.369 1.00 10.00 C ATOM 669 CD ARG B 18 -8.334 -4.098 -7.711 1.00 10.00 C ATOM 670 NE ARG B 18 -6.979 -4.510 -8.114 1.00 10.00 N ATOM 671 CZ ARG B 18 -6.173 -3.864 -8.964 1.00 10.00 C ATOM 672 NH1 ARG B 18 -6.573 -2.769 -9.604 1.00 10.00 N ATOM 673 NH2 ARG B 18 -4.941 -4.315 -9.174 1.00 10.00 N ATOM 0 H ARG B 18 -6.593 -3.451 -3.317 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.092 -4.724 -3.612 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.013 -3.095 -5.163 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -6.782 -4.282 -5.547 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -8.609 -5.816 -6.422 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -9.768 -4.531 -6.147 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.051 -4.392 -8.477 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.380 -3.012 -7.631 1.00 10.00 H new ATOM 0 HE ARG B 18 -6.620 -5.373 -7.705 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -7.513 -2.404 -9.452 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -5.940 -2.294 -10.247 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -4.614 -5.150 -8.688 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -4.322 -3.826 -9.821 1.00 10.00 H new ATOM 687 N LYS B 19 -6.492 -6.742 -4.017 1.00 10.00 N ATOM 688 CA LYS B 19 -6.110 -8.152 -3.926 1.00 10.00 C ATOM 689 C LYS B 19 -6.586 -8.784 -2.607 1.00 10.00 C ATOM 690 O LYS B 19 -7.206 -9.846 -2.620 1.00 10.00 O ATOM 691 CB LYS B 19 -4.596 -8.305 -4.124 1.00 10.00 C ATOM 692 CG LYS B 19 -4.192 -7.989 -5.570 1.00 10.00 C ATOM 693 CD LYS B 19 -2.667 -8.026 -5.707 1.00 10.00 C ATOM 694 CE LYS B 19 -2.262 -7.697 -7.146 1.00 10.00 C ATOM 695 NZ LYS B 19 -0.798 -7.739 -7.307 1.00 10.00 N ATOM 0 H LYS B 19 -5.706 -6.104 -4.146 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.610 -8.696 -4.727 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.068 -7.639 -3.442 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.294 -9.322 -3.873 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -4.644 -8.712 -6.249 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.567 -7.006 -5.855 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.215 -7.310 -5.021 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.293 -9.012 -5.432 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.727 -8.408 -7.830 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.632 -6.708 -7.414 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -0.550 -7.512 -8.291 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -0.359 -7.044 -6.671 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -0.450 -8.691 -7.073 1.00 10.00 H new ATOM 709 N LEU B 20 -6.349 -8.127 -1.467 1.00 10.00 N ATOM 710 CA LEU B 20 -6.852 -8.598 -0.172 1.00 10.00 C ATOM 711 C LEU B 20 -8.387 -8.695 -0.131 1.00 10.00 C ATOM 712 O LEU B 20 -8.936 -9.604 0.484 1.00 10.00 O ATOM 713 CB LEU B 20 -6.343 -7.710 0.967 1.00 10.00 C ATOM 714 CG LEU B 20 -4.816 -7.702 1.119 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.466 -6.611 2.132 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.258 -9.052 1.584 1.00 10.00 C ATOM 0 H LEU B 20 -5.809 -7.263 -1.415 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.464 -9.607 -0.037 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.686 -6.689 0.799 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.789 -8.046 1.903 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.364 -7.508 0.146 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.385 -6.574 2.268 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.819 -5.647 1.765 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.944 -6.833 3.086 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.174 -8.986 1.674 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.687 -9.309 2.552 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.516 -9.822 0.857 1.00 10.00 H new ATOM 728 N LYS B 21 -9.104 -7.779 -0.786 1.00 10.00 N ATOM 729 CA LYS B 21 -10.548 -7.914 -0.946 1.00 10.00 C ATOM 730 C LYS B 21 -10.879 -9.178 -1.756 1.00 10.00 C ATOM 731 O LYS B 21 -11.621 -10.041 -1.290 1.00 10.00 O ATOM 732 CB LYS B 21 -11.124 -6.632 -1.564 1.00 10.00 C ATOM 733 CG LYS B 21 -12.655 -6.688 -1.655 1.00 10.00 C ATOM 734 CD LYS B 21 -13.254 -5.334 -2.067 1.00 10.00 C ATOM 735 CE LYS B 21 -12.716 -4.797 -3.401 1.00 10.00 C ATOM 736 NZ LYS B 21 -12.887 -5.771 -4.494 1.00 10.00 N ATOM 0 H LYS B 21 -8.708 -6.941 -1.211 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.022 -8.039 0.028 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.826 -5.772 -0.964 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.705 -6.487 -2.560 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -12.948 -7.450 -2.377 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.065 -6.988 -0.691 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -14.337 -5.433 -2.137 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.050 -4.604 -1.284 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -13.233 -3.872 -3.655 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -11.659 -4.553 -3.294 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -12.622 -5.329 -5.397 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -12.279 -6.597 -4.321 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -13.881 -6.075 -4.536 1.00 10.00 H new ATOM 750 N ASN B 22 -10.295 -9.324 -2.951 1.00 10.00 N ATOM 751 CA ASN B 22 -10.483 -10.500 -3.806 1.00 10.00 C ATOM 752 C ASN B 22 -10.168 -11.819 -3.074 1.00 10.00 C ATOM 753 O ASN B 22 -10.841 -12.823 -3.296 1.00 10.00 O ATOM 754 CB ASN B 22 -9.629 -10.344 -5.075 1.00 10.00 C ATOM 755 CG ASN B 22 -10.105 -11.179 -6.264 1.00 10.00 C ATOM 756 OD1 ASN B 22 -10.003 -10.743 -7.403 1.00 10.00 O ATOM 757 ND2 ASN B 22 -10.633 -12.379 -6.059 1.00 10.00 N ATOM 0 H ASN B 22 -9.674 -8.623 -3.354 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.536 -10.557 -4.082 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.620 -9.293 -5.365 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -8.600 -10.619 -4.842 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -10.953 -12.937 -6.850 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.718 -12.743 -5.110 1.00 10.00 H new ATOM 914 N PRO C 7 6.274 6.133 6.787 1.00 10.00 N ATOM 915 CA PRO C 7 7.363 5.167 6.650 1.00 10.00 C ATOM 916 C PRO C 7 7.051 3.827 7.331 1.00 10.00 C ATOM 917 O PRO C 7 7.326 2.759 6.787 1.00 10.00 O ATOM 918 CB PRO C 7 8.590 5.846 7.271 1.00 10.00 C ATOM 919 CG PRO C 7 8.301 7.334 7.077 1.00 10.00 C ATOM 920 CD PRO C 7 6.784 7.418 7.242 1.00 10.00 C ATOM 0 HA PRO C 7 7.527 4.911 5.603 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.701 5.591 8.325 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.512 5.546 6.772 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.821 7.945 7.815 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.619 7.681 6.094 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.511 7.603 8.281 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.369 8.236 6.653 1.00 10.00 H new ATOM 928 N GLY C 8 6.422 3.893 8.509 1.00 10.00 N ATOM 929 CA GLY C 8 5.901 2.737 9.229 1.00 10.00 C ATOM 930 C GLY C 8 5.060 1.788 8.362 1.00 10.00 C ATOM 931 O GLY C 8 5.127 0.579 8.556 1.00 10.00 O ATOM 0 H GLY C 8 6.260 4.775 8.996 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.736 2.180 9.654 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.292 3.086 10.063 1.00 10.00 H new ATOM 935 N PHE C 9 4.281 2.298 7.397 1.00 10.00 N ATOM 936 CA PHE C 9 3.529 1.451 6.470 1.00 10.00 C ATOM 937 C PHE C 9 4.479 0.664 5.560 1.00 10.00 C ATOM 938 O PHE C 9 4.394 -0.558 5.483 1.00 10.00 O ATOM 939 CB PHE C 9 2.530 2.286 5.656 1.00 10.00 C ATOM 940 CG PHE C 9 1.819 1.521 4.556 1.00 10.00 C ATOM 941 CD1 PHE C 9 1.005 0.421 4.879 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.971 1.904 3.210 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.304 -0.261 3.868 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.267 1.224 2.199 1.00 10.00 C ATOM 945 CZ PHE C 9 0.429 0.146 2.528 1.00 10.00 C ATOM 0 H PHE C 9 4.157 3.298 7.241 1.00 10.00 H new ATOM 0 HA PHE C 9 2.956 0.729 7.052 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.784 2.699 6.334 1.00 10.00 H new ATOM 0 HB3 PHE C 9 3.058 3.129 5.211 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.918 0.099 5.906 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.629 2.721 2.953 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.330 -1.098 4.121 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.371 1.531 1.169 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.119 -0.370 1.753 1.00 10.00 H new ATOM 955 N THR C 10 5.417 1.352 4.904 1.00 10.00 N ATOM 956 CA THR C 10 6.460 0.704 4.108 1.00 10.00 C ATOM 957 C THR C 10 7.208 -0.357 4.928 1.00 10.00 C ATOM 958 O THR C 10 7.395 -1.484 4.472 1.00 10.00 O ATOM 959 CB THR C 10 7.422 1.764 3.550 1.00 10.00 C ATOM 960 OG1 THR C 10 6.684 2.783 2.909 1.00 10.00 O ATOM 961 CG2 THR C 10 8.387 1.164 2.527 1.00 10.00 C ATOM 0 H THR C 10 5.474 2.370 4.910 1.00 10.00 H new ATOM 0 HA THR C 10 5.991 0.187 3.271 1.00 10.00 H new ATOM 0 HB THR C 10 7.993 2.162 4.389 1.00 10.00 H new ATOM 0 HG1 THR C 10 7.299 3.459 2.555 1.00 10.00 H new ATOM 0 HG21 THR C 10 9.052 1.943 2.154 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.977 0.379 3.000 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.821 0.742 1.697 1.00 10.00 H new ATOM 969 N ALA C 11 7.604 -0.011 6.157 1.00 10.00 N ATOM 970 CA ALA C 11 8.240 -0.940 7.088 1.00 10.00 C ATOM 971 C ALA C 11 7.342 -2.147 7.416 1.00 10.00 C ATOM 972 O ALA C 11 7.782 -3.291 7.324 1.00 10.00 O ATOM 973 CB ALA C 11 8.662 -0.183 8.347 1.00 10.00 C ATOM 0 H ALA C 11 7.490 0.930 6.534 1.00 10.00 H new ATOM 0 HA ALA C 11 9.128 -1.355 6.610 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.137 -0.873 9.044 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.366 0.605 8.079 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.784 0.260 8.817 1.00 10.00 H new ATOM 979 N LEU C 12 6.076 -1.912 7.772 1.00 10.00 N ATOM 980 CA LEU C 12 5.079 -2.959 8.003 1.00 10.00 C ATOM 981 C LEU C 12 4.979 -3.898 6.795 1.00 10.00 C ATOM 982 O LEU C 12 5.149 -5.104 6.936 1.00 10.00 O ATOM 983 CB LEU C 12 3.736 -2.308 8.369 1.00 10.00 C ATOM 984 CG LEU C 12 2.646 -3.278 8.860 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.608 -2.457 9.631 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.925 -4.012 7.720 1.00 10.00 C ATOM 0 H LEU C 12 5.709 -0.970 7.910 1.00 10.00 H new ATOM 0 HA LEU C 12 5.385 -3.583 8.842 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.912 -1.563 9.145 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.359 -1.776 7.495 1.00 10.00 H new ATOM 0 HG LEU C 12 3.130 -4.037 9.475 1.00 10.00 H new ATOM 0 HD11 LEU C 12 0.819 -3.116 9.994 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.088 -1.966 10.477 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.177 -1.704 8.971 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.170 -4.679 8.137 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.445 -3.285 7.065 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.647 -4.594 7.148 1.00 10.00 H new ATOM 998 N ILE C 13 4.746 -3.358 5.596 1.00 10.00 N ATOM 999 CA ILE C 13 4.711 -4.134 4.357 1.00 10.00 C ATOM 1000 C ILE C 13 5.997 -4.959 4.174 1.00 10.00 C ATOM 1001 O ILE C 13 5.936 -6.179 4.021 1.00 10.00 O ATOM 1002 CB ILE C 13 4.435 -3.189 3.171 1.00 10.00 C ATOM 1003 CG1 ILE C 13 3.018 -2.580 3.225 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.679 -3.865 1.814 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.870 -3.578 3.027 1.00 10.00 C ATOM 0 H ILE C 13 4.575 -2.362 5.458 1.00 10.00 H new ATOM 0 HA ILE C 13 3.899 -4.859 4.406 1.00 10.00 H new ATOM 0 HB ILE C 13 5.153 -2.374 3.269 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.888 -2.088 4.189 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.943 -1.807 2.460 1.00 10.00 H new ATOM 0 HG21 ILE C 13 4.470 -3.157 1.012 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.718 -4.189 1.751 1.00 10.00 H new ATOM 0 HG23 ILE C 13 4.022 -4.729 1.715 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.917 -3.052 3.082 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.966 -4.054 2.051 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.910 -4.338 3.807 1.00 10.00 H new ATOM 1017 N LYS C 14 7.167 -4.315 4.211 1.00 10.00 N ATOM 1018 CA LYS C 14 8.458 -4.992 4.083 1.00 10.00 C ATOM 1019 C LYS C 14 8.600 -6.150 5.086 1.00 10.00 C ATOM 1020 O LYS C 14 8.913 -7.280 4.713 1.00 10.00 O ATOM 1021 CB LYS C 14 9.575 -3.953 4.241 1.00 10.00 C ATOM 1022 CG LYS C 14 10.961 -4.540 3.944 1.00 10.00 C ATOM 1023 CD LYS C 14 12.086 -3.536 4.249 1.00 10.00 C ATOM 1024 CE LYS C 14 11.976 -2.217 3.472 1.00 10.00 C ATOM 1025 NZ LYS C 14 11.932 -2.441 2.016 1.00 10.00 N ATOM 0 H LYS C 14 7.244 -3.305 4.331 1.00 10.00 H new ATOM 0 HA LYS C 14 8.530 -5.446 3.095 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.386 -3.115 3.570 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.560 -3.558 5.257 1.00 10.00 H new ATOM 0 HG2 LYS C 14 11.108 -5.442 4.538 1.00 10.00 H new ATOM 0 HG3 LYS C 14 11.013 -4.836 2.896 1.00 10.00 H new ATOM 0 HD2 LYS C 14 12.084 -3.318 5.317 1.00 10.00 H new ATOM 0 HD3 LYS C 14 13.045 -4.001 4.021 1.00 10.00 H new ATOM 0 HE2 LYS C 14 11.078 -1.685 3.785 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.826 -1.579 3.716 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 11.909 -1.525 1.524 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 12.776 -2.971 1.721 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 11.079 -2.985 1.774 1.00 10.00 H new ATOM 1039 N THR C 15 8.355 -5.874 6.368 1.00 10.00 N ATOM 1040 CA THR C 15 8.415 -6.881 7.426 1.00 10.00 C ATOM 1041 C THR C 15 7.346 -7.971 7.271 1.00 10.00 C ATOM 1042 O THR C 15 7.596 -9.125 7.610 1.00 10.00 O ATOM 1043 CB THR C 15 8.364 -6.248 8.821 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.214 -5.454 8.977 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.603 -5.396 9.102 1.00 10.00 C ATOM 0 H THR C 15 8.109 -4.942 6.702 1.00 10.00 H new ATOM 0 HA THR C 15 9.382 -7.372 7.319 1.00 10.00 H new ATOM 0 HB THR C 15 8.335 -7.071 9.535 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.313 -4.629 8.457 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.529 -4.965 10.100 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.495 -6.020 9.041 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.669 -4.596 8.365 1.00 10.00 H new ATOM 1053 N LEU C 16 6.169 -7.649 6.727 1.00 10.00 N ATOM 1054 CA LEU C 16 5.171 -8.652 6.365 1.00 10.00 C ATOM 1055 C LEU C 16 5.725 -9.590 5.289 1.00 10.00 C ATOM 1056 O LEU C 16 5.724 -10.807 5.470 1.00 10.00 O ATOM 1057 CB LEU C 16 3.857 -7.970 5.945 1.00 10.00 C ATOM 1058 CG LEU C 16 2.658 -8.935 5.938 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.374 -8.164 6.261 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.484 -9.635 4.584 1.00 10.00 C ATOM 0 H LEU C 16 5.885 -6.690 6.527 1.00 10.00 H new ATOM 0 HA LEU C 16 4.943 -9.270 7.234 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.648 -7.144 6.625 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.978 -7.541 4.950 1.00 10.00 H new ATOM 0 HG LEU C 16 2.853 -9.697 6.693 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.527 -8.850 6.255 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.463 -7.705 7.246 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.218 -7.388 5.512 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.626 -10.305 4.629 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.321 -8.888 3.807 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.381 -10.209 4.353 1.00 10.00 H new ATOM 1072 N ARG C 17 6.242 -9.028 4.190 1.00 10.00 N ATOM 1073 CA ARG C 17 6.902 -9.806 3.142 1.00 10.00 C ATOM 1074 C ARG C 17 8.021 -10.692 3.717 1.00 10.00 C ATOM 1075 O ARG C 17 8.059 -11.886 3.433 1.00 10.00 O ATOM 1076 CB ARG C 17 7.412 -8.897 2.010 1.00 10.00 C ATOM 1077 CG ARG C 17 6.367 -8.638 0.912 1.00 10.00 C ATOM 1078 CD ARG C 17 5.247 -7.682 1.334 1.00 10.00 C ATOM 1079 NE ARG C 17 4.258 -7.521 0.253 1.00 10.00 N ATOM 1080 CZ ARG C 17 4.415 -6.794 -0.859 1.00 10.00 C ATOM 1081 NH1 ARG C 17 5.495 -6.040 -1.040 1.00 10.00 N ATOM 1082 NH2 ARG C 17 3.480 -6.831 -1.805 1.00 10.00 N ATOM 0 H ARG C 17 6.214 -8.025 4.005 1.00 10.00 H new ATOM 0 HA ARG C 17 6.159 -10.475 2.708 1.00 10.00 H new ATOM 0 HB2 ARG C 17 7.725 -7.943 2.434 1.00 10.00 H new ATOM 0 HB3 ARG C 17 8.295 -9.351 1.560 1.00 10.00 H new ATOM 0 HG2 ARG C 17 6.869 -8.229 0.035 1.00 10.00 H new ATOM 0 HG3 ARG C 17 5.926 -9.589 0.612 1.00 10.00 H new ATOM 0 HD2 ARG C 17 4.755 -8.064 2.229 1.00 10.00 H new ATOM 0 HD3 ARG C 17 5.670 -6.711 1.593 1.00 10.00 H new ATOM 0 HE ARG C 17 3.370 -8.010 0.363 1.00 10.00 H new ATOM 0 HH11 ARG C 17 6.221 -6.009 -0.324 1.00 10.00 H new ATOM 0 HH12 ARG C 17 5.597 -5.492 -1.894 1.00 10.00 H new ATOM 0 HH21 ARG C 17 2.650 -7.411 -1.680 1.00 10.00 H new ATOM 0 HH22 ARG C 17 3.593 -6.279 -2.655 1.00 10.00 H new ATOM 1096 N LYS C 18 8.899 -10.135 4.563 1.00 10.00 N ATOM 1097 CA LYS C 18 9.879 -10.919 5.322 1.00 10.00 C ATOM 1098 C LYS C 18 9.210 -12.084 6.069 1.00 10.00 C ATOM 1099 O LYS C 18 9.556 -13.245 5.857 1.00 10.00 O ATOM 1100 CB LYS C 18 10.631 -10.010 6.309 1.00 10.00 C ATOM 1101 CG LYS C 18 11.627 -10.778 7.199 1.00 10.00 C ATOM 1102 CD LYS C 18 12.118 -9.954 8.402 1.00 10.00 C ATOM 1103 CE LYS C 18 11.011 -9.500 9.372 1.00 10.00 C ATOM 1104 NZ LYS C 18 10.086 -10.586 9.751 1.00 10.00 N ATOM 0 H LYS C 18 8.949 -9.132 4.739 1.00 10.00 H new ATOM 0 HA LYS C 18 10.591 -11.345 4.615 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.168 -9.243 5.751 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.909 -9.496 6.943 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.154 -11.691 7.560 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.485 -11.080 6.598 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.846 -10.546 8.956 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.640 -9.072 8.031 1.00 10.00 H new ATOM 0 HE2 LYS C 18 11.471 -9.093 10.272 1.00 10.00 H new ATOM 0 HE3 LYS C 18 10.443 -8.692 8.911 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 9.346 -10.209 10.377 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 9.647 -10.983 8.896 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 10.612 -11.333 10.248 1.00 10.00 H new ATOM 1118 N CYS C 19 8.270 -11.785 6.974 1.00 10.00 N ATOM 1119 CA CYS C 19 7.642 -12.795 7.820 1.00 10.00 C ATOM 1120 C CYS C 19 7.002 -13.923 7.001 1.00 10.00 C ATOM 1121 O CYS C 19 7.170 -15.098 7.325 1.00 10.00 O ATOM 1122 CB CYS C 19 6.647 -12.148 8.790 1.00 10.00 C ATOM 1123 SG CYS C 19 5.631 -13.328 9.720 1.00 10.00 S ATOM 0 H CYS C 19 7.928 -10.838 7.137 1.00 10.00 H new ATOM 0 HA CYS C 19 8.427 -13.263 8.414 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.198 -11.527 9.496 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.989 -11.485 8.228 1.00 10.00 H new ATOM 0 HG CYS C 19 4.827 -12.680 10.510 1.00 10.00 H new ATOM 1278 N ILE D 7 -2.585 9.357 17.407 1.00 10.00 N ATOM 1279 CA ILE D 7 -1.739 8.550 18.295 1.00 10.00 C ATOM 1280 C ILE D 7 -2.164 7.074 18.300 1.00 10.00 C ATOM 1281 O ILE D 7 -1.313 6.189 18.236 1.00 10.00 O ATOM 1282 CB ILE D 7 -1.599 9.147 19.710 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -2.901 9.089 20.527 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.016 10.565 19.625 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -2.751 9.676 21.933 1.00 10.00 C ATOM 0 HA ILE D 7 -0.733 8.582 17.878 1.00 10.00 H new ATOM 0 HB ILE D 7 -0.899 8.521 20.264 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -3.682 9.631 19.994 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.229 8.052 20.605 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -0.920 10.980 20.628 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.034 10.527 19.153 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -1.679 11.196 19.033 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -3.703 9.606 22.460 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -1.991 9.118 22.481 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -2.452 10.722 21.861 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.473 6.798 18.313 1.00 10.00 N ATOM 1298 CA GLU D 8 -3.996 5.443 18.190 1.00 10.00 C ATOM 1299 C GLU D 8 -3.503 4.766 16.902 1.00 10.00 C ATOM 1300 O GLU D 8 -2.965 3.664 16.946 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.529 5.487 18.279 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.171 4.093 18.159 1.00 10.00 C ATOM 1303 CD GLU D 8 -5.645 3.097 19.191 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -5.736 3.424 20.393 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.158 2.030 18.758 1.00 10.00 O ATOM 0 H GLU D 8 -4.195 7.512 18.409 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.621 4.832 19.011 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -5.821 5.937 19.228 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.916 6.130 17.489 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -7.251 4.187 18.272 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.988 3.701 17.159 1.00 10.00 H new ATOM 1312 N ALA D 9 -3.656 5.430 15.754 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.181 4.930 14.469 1.00 10.00 C ATOM 1314 C ALA D 9 -1.669 4.663 14.476 1.00 10.00 C ATOM 1315 O ALA D 9 -1.236 3.602 14.036 1.00 10.00 O ATOM 1316 CB ALA D 9 -3.577 5.904 13.360 1.00 10.00 C ATOM 0 H ALA D 9 -4.118 6.338 15.693 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.658 3.969 14.278 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.221 5.528 12.401 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -4.662 6.001 13.331 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.131 6.879 13.556 1.00 10.00 H new ATOM 1322 N ARG D 10 -0.862 5.595 14.998 1.00 10.00 N ATOM 1323 CA ARG D 10 0.575 5.379 15.188 1.00 10.00 C ATOM 1324 C ARG D 10 0.865 4.137 16.050 1.00 10.00 C ATOM 1325 O ARG D 10 1.644 3.273 15.652 1.00 10.00 O ATOM 1326 CB ARG D 10 1.225 6.629 15.800 1.00 10.00 C ATOM 1327 CG ARG D 10 1.331 7.818 14.833 1.00 10.00 C ATOM 1328 CD ARG D 10 2.352 7.572 13.712 1.00 10.00 C ATOM 1329 NE ARG D 10 2.799 8.841 13.112 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.099 9.616 12.277 1.00 10.00 C ATOM 1331 NH1 ARG D 10 0.900 9.232 11.849 1.00 10.00 N ATOM 1332 NH2 ARG D 10 2.614 10.780 11.886 1.00 10.00 N ATOM 0 H ARG D 10 -1.186 6.514 15.299 1.00 10.00 H new ATOM 0 HA ARG D 10 1.012 5.196 14.206 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.648 6.935 16.673 1.00 10.00 H new ATOM 0 HB3 ARG D 10 2.224 6.371 16.152 1.00 10.00 H new ATOM 0 HG2 ARG D 10 0.353 8.014 14.393 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.615 8.711 15.390 1.00 10.00 H new ATOM 0 HD2 ARG D 10 3.211 7.032 14.111 1.00 10.00 H new ATOM 0 HD3 ARG D 10 1.907 6.940 12.943 1.00 10.00 H new ATOM 0 HE ARG D 10 3.736 9.160 13.358 1.00 10.00 H new ATOM 0 HH11 ARG D 10 0.509 8.342 12.158 1.00 10.00 H new ATOM 0 HH12 ARG D 10 0.371 9.828 11.212 1.00 10.00 H new ATOM 0 HH21 ARG D 10 3.532 11.071 12.223 1.00 10.00 H new ATOM 0 HH22 ARG D 10 2.091 11.381 11.249 1.00 10.00 H new ATOM 1346 N LYS D 11 0.240 4.026 17.226 1.00 10.00 N ATOM 1347 CA LYS D 11 0.397 2.865 18.103 1.00 10.00 C ATOM 1348 C LYS D 11 0.006 1.558 17.395 1.00 10.00 C ATOM 1349 O LYS D 11 0.746 0.576 17.429 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.430 3.067 19.380 1.00 10.00 C ATOM 1351 CG LYS D 11 0.178 4.148 20.282 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.792 4.463 21.429 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.270 5.601 22.314 1.00 10.00 C ATOM 1354 NZ LYS D 11 0.969 5.222 23.018 1.00 10.00 N ATOM 0 H LYS D 11 -0.389 4.739 17.596 1.00 10.00 H new ATOM 0 HA LYS D 11 1.450 2.778 18.370 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.449 3.346 19.113 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.490 2.127 19.928 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.133 3.808 20.682 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.378 5.050 19.703 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.764 4.737 21.019 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.942 3.570 22.035 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -0.085 6.483 21.701 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -1.033 5.874 23.043 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 1.235 5.976 23.682 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 0.814 4.338 23.543 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 1.733 5.084 22.326 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.170 1.521 16.767 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.662 0.397 15.974 1.00 10.00 C ATOM 1370 C TYR D 12 -0.646 -0.004 14.891 1.00 10.00 C ATOM 1371 O TYR D 12 -0.171 -1.141 14.857 1.00 10.00 O ATOM 1372 CB TYR D 12 -3.018 0.816 15.388 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.700 -0.197 14.491 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -4.493 -1.209 15.059 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.692 -0.016 13.094 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -5.288 -2.024 14.235 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.491 -0.829 12.271 1.00 10.00 C ATOM 1378 CZ TYR D 12 -5.303 -1.818 12.848 1.00 10.00 C ATOM 1379 OH TYR D 12 -6.059 -2.631 12.059 1.00 10.00 O ATOM 0 H TYR D 12 -1.828 2.300 16.798 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.792 -0.492 16.591 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.690 1.051 16.213 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.877 1.736 14.821 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -4.491 -1.360 16.128 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.070 0.750 12.654 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -5.888 -2.810 14.670 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.480 -0.693 11.200 1.00 10.00 H new ATOM 0 HH TYR D 12 -5.964 -2.359 11.122 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.280 0.957 14.037 1.00 10.00 N ATOM 1390 CA LEU D 13 0.742 0.824 13.004 1.00 10.00 C ATOM 1391 C LEU D 13 2.035 0.210 13.557 1.00 10.00 C ATOM 1392 O LEU D 13 2.492 -0.818 13.060 1.00 10.00 O ATOM 1393 CB LEU D 13 0.990 2.211 12.389 1.00 10.00 C ATOM 1394 CG LEU D 13 2.101 2.271 11.331 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.698 1.527 10.058 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.364 3.742 10.996 1.00 10.00 C ATOM 0 H LEU D 13 -0.707 1.883 14.050 1.00 10.00 H new ATOM 0 HA LEU D 13 0.391 0.139 12.232 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.062 2.561 11.937 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.237 2.907 13.191 1.00 10.00 H new ATOM 0 HG LEU D 13 2.996 1.794 11.729 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.506 1.589 9.329 1.00 10.00 H new ATOM 0 HD12 LEU D 13 1.501 0.481 10.295 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.798 1.980 9.641 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.151 3.809 10.245 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.452 4.195 10.607 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.676 4.270 11.897 1.00 10.00 H new ATOM 1408 N GLU D 14 2.633 0.829 14.579 1.00 10.00 N ATOM 1409 CA GLU D 14 3.909 0.375 15.115 1.00 10.00 C ATOM 1410 C GLU D 14 3.822 -0.980 15.837 1.00 10.00 C ATOM 1411 O GLU D 14 4.735 -1.794 15.707 1.00 10.00 O ATOM 1412 CB GLU D 14 4.576 1.477 15.947 1.00 10.00 C ATOM 1413 CG GLU D 14 4.968 2.694 15.084 1.00 10.00 C ATOM 1414 CD GLU D 14 5.848 2.354 13.876 1.00 10.00 C ATOM 1415 OE1 GLU D 14 6.758 1.509 14.034 1.00 10.00 O ATOM 1416 OE2 GLU D 14 5.583 2.939 12.803 1.00 10.00 O ATOM 0 H GLU D 14 2.248 1.648 15.050 1.00 10.00 H new ATOM 0 HA GLU D 14 4.565 0.178 14.267 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.897 1.796 16.737 1.00 10.00 H new ATOM 0 HB3 GLU D 14 5.465 1.076 16.434 1.00 10.00 H new ATOM 0 HG2 GLU D 14 4.059 3.182 14.731 1.00 10.00 H new ATOM 0 HG3 GLU D 14 5.494 3.414 15.710 1.00 10.00 H new ATOM 1423 N GLN D 15 2.731 -1.268 16.554 1.00 10.00 N ATOM 1424 CA GLN D 15 2.499 -2.607 17.097 1.00 10.00 C ATOM 1425 C GLN D 15 2.437 -3.664 15.983 1.00 10.00 C ATOM 1426 O GLN D 15 3.126 -4.681 16.055 1.00 10.00 O ATOM 1427 CB GLN D 15 1.224 -2.621 17.945 1.00 10.00 C ATOM 1428 CG GLN D 15 1.454 -1.921 19.293 1.00 10.00 C ATOM 1429 CD GLN D 15 0.146 -1.678 20.030 1.00 10.00 C ATOM 1430 OE1 GLN D 15 -0.112 -2.239 21.086 1.00 10.00 O ATOM 1431 NE2 GLN D 15 -0.698 -0.828 19.469 1.00 10.00 N ATOM 0 H GLN D 15 1.998 -0.593 16.770 1.00 10.00 H new ATOM 0 HA GLN D 15 3.343 -2.865 17.737 1.00 10.00 H new ATOM 0 HB2 GLN D 15 0.418 -2.124 17.405 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.907 -3.650 18.115 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.113 -2.530 19.912 1.00 10.00 H new ATOM 0 HG3 GLN D 15 1.961 -0.970 19.128 1.00 10.00 H new ATOM 0 HE21 GLN D 15 -0.455 -0.375 18.588 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -1.591 -0.625 19.918 1.00 10.00 H new ATOM 1440 N LEU D 16 1.640 -3.425 14.935 1.00 10.00 N ATOM 1441 CA LEU D 16 1.585 -4.327 13.784 1.00 10.00 C ATOM 1442 C LEU D 16 2.964 -4.494 13.130 1.00 10.00 C ATOM 1443 O LEU D 16 3.455 -5.613 12.997 1.00 10.00 O ATOM 1444 CB LEU D 16 0.546 -3.827 12.774 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.897 -3.959 13.281 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.802 -3.078 12.419 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -1.390 -5.410 13.206 1.00 10.00 C ATOM 0 H LEU D 16 1.025 -2.614 14.862 1.00 10.00 H new ATOM 0 HA LEU D 16 1.280 -5.312 14.137 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.749 -2.782 12.540 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.651 -4.388 11.845 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.927 -3.645 14.324 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.831 -3.162 12.768 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -1.477 -2.040 12.493 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.744 -3.403 11.380 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -2.415 -5.465 13.573 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.356 -5.753 12.172 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.750 -6.044 13.820 1.00 10.00 H new ATOM 1459 N HIS D 17 3.613 -3.387 12.757 1.00 10.00 N ATOM 1460 CA HIS D 17 4.992 -3.378 12.266 1.00 10.00 C ATOM 1461 C HIS D 17 5.910 -4.241 13.146 1.00 10.00 C ATOM 1462 O HIS D 17 6.582 -5.135 12.639 1.00 10.00 O ATOM 1463 CB HIS D 17 5.467 -1.923 12.181 1.00 10.00 C ATOM 1464 CG HIS D 17 6.942 -1.720 11.941 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.707 -0.731 12.519 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.775 -2.503 11.186 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.977 -0.926 12.128 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.071 -1.995 11.322 1.00 10.00 N ATOM 0 H HIS D 17 3.189 -2.460 12.788 1.00 10.00 H new ATOM 0 HA HIS D 17 5.033 -3.823 11.272 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.918 -1.429 11.380 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.198 -1.419 13.109 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.371 0.012 13.131 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.484 -3.358 10.593 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.811 -0.306 12.423 1.00 10.00 H new ATOM 1476 N ARG D 18 5.919 -4.019 14.464 1.00 10.00 N ATOM 1477 CA ARG D 18 6.676 -4.854 15.392 1.00 10.00 C ATOM 1478 C ARG D 18 6.301 -6.341 15.275 1.00 10.00 C ATOM 1479 O ARG D 18 7.186 -7.186 15.143 1.00 10.00 O ATOM 1480 CB ARG D 18 6.526 -4.332 16.829 1.00 10.00 C ATOM 1481 CG ARG D 18 7.308 -5.240 17.786 1.00 10.00 C ATOM 1482 CD ARG D 18 7.389 -4.684 19.208 1.00 10.00 C ATOM 1483 NE ARG D 18 7.874 -5.725 20.132 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.094 -6.274 20.134 1.00 10.00 C ATOM 1485 NH1 ARG D 18 10.076 -5.779 19.386 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.328 -7.343 20.888 1.00 10.00 N ATOM 0 H ARG D 18 5.405 -3.260 14.912 1.00 10.00 H new ATOM 0 HA ARG D 18 7.729 -4.787 15.118 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.897 -3.309 16.896 1.00 10.00 H new ATOM 0 HB3 ARG D 18 5.473 -4.309 17.111 1.00 10.00 H new ATOM 0 HG2 ARG D 18 6.836 -6.222 17.813 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.317 -5.382 17.400 1.00 10.00 H new ATOM 0 HD2 ARG D 18 8.058 -3.824 19.233 1.00 10.00 H new ATOM 0 HD3 ARG D 18 6.407 -4.333 19.526 1.00 10.00 H new ATOM 0 HE ARG D 18 7.217 -6.059 20.837 1.00 10.00 H new ATOM 0 HH11 ARG D 18 9.906 -4.965 18.795 1.00 10.00 H new ATOM 0 HH12 ARG D 18 10.999 -6.214 19.403 1.00 10.00 H new ATOM 0 HH21 ARG D 18 8.581 -7.738 21.459 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.255 -7.768 20.896 1.00 10.00 H new ATOM 1500 N LYS D 19 5.011 -6.682 15.329 1.00 10.00 N ATOM 1501 CA LYS D 19 4.550 -8.063 15.185 1.00 10.00 C ATOM 1502 C LYS D 19 5.094 -8.713 13.902 1.00 10.00 C ATOM 1503 O LYS D 19 5.692 -9.789 13.955 1.00 10.00 O ATOM 1504 CB LYS D 19 3.016 -8.100 15.262 1.00 10.00 C ATOM 1505 CG LYS D 19 2.409 -9.493 15.045 1.00 10.00 C ATOM 1506 CD LYS D 19 2.929 -10.520 16.061 1.00 10.00 C ATOM 1507 CE LYS D 19 2.120 -11.820 16.003 1.00 10.00 C ATOM 1508 NZ LYS D 19 2.236 -12.480 14.689 1.00 10.00 N ATOM 0 H LYS D 19 4.259 -6.009 15.474 1.00 10.00 H new ATOM 0 HA LYS D 19 4.945 -8.659 16.007 1.00 10.00 H new ATOM 0 HB2 LYS D 19 2.703 -7.728 16.237 1.00 10.00 H new ATOM 0 HB3 LYS D 19 2.609 -7.418 14.515 1.00 10.00 H new ATOM 0 HG2 LYS D 19 1.323 -9.429 15.119 1.00 10.00 H new ATOM 0 HG3 LYS D 19 2.640 -9.834 14.036 1.00 10.00 H new ATOM 0 HD2 LYS D 19 3.979 -10.733 15.861 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.875 -10.100 17.066 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.467 -12.499 16.782 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.072 -11.605 16.210 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.760 -13.404 14.721 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.790 -11.886 13.961 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 3.240 -12.616 14.456 1.00 10.00 H new ATOM 1522 N LEU D 20 4.925 -8.051 12.753 1.00 10.00 N ATOM 1523 CA LEU D 20 5.475 -8.527 11.484 1.00 10.00 C ATOM 1524 C LEU D 20 7.013 -8.588 11.493 1.00 10.00 C ATOM 1525 O LEU D 20 7.602 -9.514 10.943 1.00 10.00 O ATOM 1526 CB LEU D 20 4.935 -7.703 10.304 1.00 10.00 C ATOM 1527 CG LEU D 20 3.483 -7.998 9.871 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.165 -9.494 9.751 1.00 10.00 C ATOM 1529 CD2 LEU D 20 2.422 -7.328 10.746 1.00 10.00 C ATOM 0 H LEU D 20 4.406 -7.176 12.678 1.00 10.00 H new ATOM 0 HA LEU D 20 5.135 -9.554 11.352 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.007 -6.647 10.563 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.588 -7.866 9.446 1.00 10.00 H new ATOM 0 HG LEU D 20 3.432 -7.554 8.877 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.127 -9.622 9.443 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.822 -9.947 9.009 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.319 -9.977 10.716 1.00 10.00 H new ATOM 0 HD21 LEU D 20 1.430 -7.585 10.376 1.00 10.00 H new ATOM 0 HD22 LEU D 20 2.526 -7.675 11.774 1.00 10.00 H new ATOM 0 HD23 LEU D 20 2.553 -6.246 10.713 1.00 10.00 H new ATOM 1541 N LYS D 21 7.687 -7.629 12.132 1.00 10.00 N ATOM 1542 CA LYS D 21 9.139 -7.656 12.305 1.00 10.00 C ATOM 1543 C LYS D 21 9.598 -8.869 13.130 1.00 10.00 C ATOM 1544 O LYS D 21 10.619 -9.478 12.818 1.00 10.00 O ATOM 1545 CB LYS D 21 9.604 -6.328 12.917 1.00 10.00 C ATOM 1546 CG LYS D 21 11.127 -6.173 12.845 1.00 10.00 C ATOM 1547 CD LYS D 21 11.520 -4.773 13.330 1.00 10.00 C ATOM 1548 CE LYS D 21 13.039 -4.599 13.249 1.00 10.00 C ATOM 1549 NZ LYS D 21 13.441 -3.253 13.694 1.00 10.00 N ATOM 0 H LYS D 21 7.239 -6.811 12.544 1.00 10.00 H new ATOM 0 HA LYS D 21 9.607 -7.769 11.327 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.129 -5.499 12.392 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.281 -6.274 13.957 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.610 -6.932 13.460 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.471 -6.325 11.822 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.026 -4.016 12.721 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.183 -4.627 14.356 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.528 -5.352 13.867 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.373 -4.762 12.224 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 14.475 -3.160 13.630 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 12.991 -2.538 13.088 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.141 -3.109 14.679 1.00 10.00 H new ATOM 1563 N ASN D 22 8.848 -9.224 14.178 1.00 10.00 N ATOM 1564 CA ASN D 22 9.133 -10.389 15.015 1.00 10.00 C ATOM 1565 C ASN D 22 8.828 -11.716 14.301 1.00 10.00 C ATOM 1566 O ASN D 22 9.633 -12.642 14.365 1.00 10.00 O ATOM 1567 CB ASN D 22 8.364 -10.298 16.342 1.00 10.00 C ATOM 1568 CG ASN D 22 9.027 -9.364 17.348 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.635 -9.801 18.317 1.00 10.00 O ATOM 1570 ND2 ASN D 22 8.909 -8.061 17.161 1.00 10.00 N ATOM 0 H ASN D 22 8.020 -8.705 14.470 1.00 10.00 H new ATOM 0 HA ASN D 22 10.203 -10.380 15.222 1.00 10.00 H new ATOM 0 HB2 ASN D 22 7.350 -9.951 16.145 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.282 -11.294 16.778 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.326 -7.410 17.827 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.401 -7.706 16.351 1.00 10.00 H new