USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 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: D 15 GLN : amide:sc= 0.866 K(o=1.9,f=-5.8!) USER MOD Set 1.2: D 19 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0) USER MOD Set 2.1: C 15 THR OG1 : rot -75:sc= 1.02 USER MOD Set 2.2: D 17 HIS : no HE2:sc= 1.1 K(o=2.1,f=-2.9!) USER MOD Set 3.1: B 12 TYR OH : rot -58:sc= 2.23 USER MOD Set 3.2: C 10 THR OG1 : rot -47:sc= 1.14 USER MOD Set 4.1: A 15 THR OG1 : rot 76:sc= 1.17 USER MOD Set 4.2: B 17 HIS : no HE2:sc= -0.529 K(o=0.64,f=-5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc=-0.000866 (180deg=-0.0611) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.703) USER MOD Single : A 19 CYS SG : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0422) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN : amide:sc= 0.835 K(o=0.83,f=-3.9!) USER MOD Single : B 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0501) USER MOD Single : B 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0504) USER MOD Single : B 22 ASN : amide:sc= 0.409 X(o=0.41,f=0) USER MOD Single : C 14 LYS NZ :NH3+ -159:sc= -0.525 (180deg=-0.985) USER MOD Single : C 18 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD Single : C 19 CYS SG : rot 140:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.166) USER MOD Single : D 12 TYR OH : rot 90:sc= 0 USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.33 K(o=1.3,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.517 7.366 6.279 1.00 10.00 N ATOM 88 CA PRO A 6 -5.675 7.281 5.403 1.00 10.00 C ATOM 89 C PRO A 6 -6.578 6.122 5.855 1.00 10.00 C ATOM 90 O PRO A 6 -6.065 5.079 6.262 1.00 10.00 O ATOM 91 CB PRO A 6 -5.094 7.047 4.006 1.00 10.00 C ATOM 92 CG PRO A 6 -3.815 6.260 4.292 1.00 10.00 C ATOM 93 CD PRO A 6 -3.323 6.861 5.611 1.00 10.00 C ATOM 0 HA PRO A 6 -6.296 8.177 5.420 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.780 6.485 3.373 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.884 7.986 3.494 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.012 5.192 4.385 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.081 6.381 3.495 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.820 6.110 6.221 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.604 7.661 5.434 1.00 10.00 H new ATOM 101 N PRO A 7 -7.913 6.247 5.760 1.00 10.00 N ATOM 102 CA PRO A 7 -8.832 5.170 6.125 1.00 10.00 C ATOM 103 C PRO A 7 -8.553 3.905 5.304 1.00 10.00 C ATOM 104 O PRO A 7 -8.696 2.789 5.801 1.00 10.00 O ATOM 105 CB PRO A 7 -10.236 5.732 5.888 1.00 10.00 C ATOM 106 CG PRO A 7 -10.020 6.808 4.825 1.00 10.00 C ATOM 107 CD PRO A 7 -8.635 7.360 5.164 1.00 10.00 C ATOM 0 HA PRO A 7 -8.714 4.862 7.164 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.923 4.960 5.542 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.659 6.150 6.801 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.052 6.392 3.818 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -10.785 7.582 4.874 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -8.128 7.725 4.271 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -8.705 8.199 5.856 1.00 10.00 H new ATOM 115 N GLY A 8 -8.083 4.088 4.064 1.00 10.00 N ATOM 116 CA GLY A 8 -7.518 3.039 3.224 1.00 10.00 C ATOM 117 C GLY A 8 -6.556 2.098 3.964 1.00 10.00 C ATOM 118 O GLY A 8 -6.578 0.898 3.712 1.00 10.00 O ATOM 0 H GLY A 8 -8.088 5.001 3.609 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.331 2.450 2.799 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.989 3.501 2.390 1.00 10.00 H new ATOM 122 N PHE A 9 -5.724 2.609 4.882 1.00 10.00 N ATOM 123 CA PHE A 9 -4.848 1.764 5.693 1.00 10.00 C ATOM 124 C PHE A 9 -5.661 0.792 6.560 1.00 10.00 C ATOM 125 O PHE A 9 -5.515 -0.422 6.451 1.00 10.00 O ATOM 126 CB PHE A 9 -3.917 2.639 6.546 1.00 10.00 C ATOM 127 CG PHE A 9 -3.107 1.867 7.570 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.204 0.876 7.148 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.315 2.083 8.945 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.491 0.122 8.097 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.592 1.340 9.894 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.681 0.357 9.470 1.00 10.00 C ATOM 0 H PHE A 9 -5.642 3.606 5.079 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.233 1.159 5.027 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -3.234 3.174 5.886 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.515 3.390 7.063 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.058 0.693 6.094 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -4.032 2.822 9.272 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.797 -0.638 7.771 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.736 1.524 10.948 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.128 -0.217 10.198 1.00 10.00 H new ATOM 142 N THR A 10 -6.552 1.325 7.401 1.00 10.00 N ATOM 143 CA THR A 10 -7.448 0.536 8.244 1.00 10.00 C ATOM 144 C THR A 10 -8.260 -0.471 7.417 1.00 10.00 C ATOM 145 O THR A 10 -8.343 -1.651 7.759 1.00 10.00 O ATOM 146 CB THR A 10 -8.374 1.491 9.013 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.607 2.523 9.598 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.136 0.769 10.126 1.00 10.00 C ATOM 0 H THR A 10 -6.671 2.332 7.515 1.00 10.00 H new ATOM 0 HA THR A 10 -6.853 -0.044 8.950 1.00 10.00 H new ATOM 0 HB THR A 10 -9.094 1.894 8.301 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.198 3.133 10.087 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.780 1.479 10.646 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.746 -0.025 9.694 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.426 0.338 10.832 1.00 10.00 H new ATOM 156 N ALA A 11 -8.845 -0.006 6.310 1.00 10.00 N ATOM 157 CA ALA A 11 -9.606 -0.841 5.388 1.00 10.00 C ATOM 158 C ALA A 11 -8.747 -1.967 4.787 1.00 10.00 C ATOM 159 O ALA A 11 -9.149 -3.132 4.814 1.00 10.00 O ATOM 160 CB ALA A 11 -10.238 0.052 4.319 1.00 10.00 C ATOM 0 H ALA A 11 -8.801 0.973 6.029 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.402 -1.348 5.934 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.810 -0.562 3.623 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.901 0.775 4.794 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.454 0.580 3.776 1.00 10.00 H new ATOM 166 N LEU A 12 -7.544 -1.648 4.295 1.00 10.00 N ATOM 167 CA LEU A 12 -6.568 -2.636 3.839 1.00 10.00 C ATOM 168 C LEU A 12 -6.278 -3.658 4.940 1.00 10.00 C ATOM 169 O LEU A 12 -6.432 -4.851 4.705 1.00 10.00 O ATOM 170 CB LEU A 12 -5.292 -1.943 3.333 1.00 10.00 C ATOM 171 CG LEU A 12 -4.249 -2.896 2.714 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.306 -2.079 1.828 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.370 -3.615 3.751 1.00 10.00 C ATOM 0 H LEU A 12 -7.220 -0.685 4.203 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.989 -3.186 2.997 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.570 -1.196 2.589 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.830 -1.409 4.163 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.813 -3.651 2.166 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.562 -2.739 1.383 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.879 -1.593 1.038 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.805 -1.322 2.431 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.662 -4.267 3.239 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.824 -2.877 4.339 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -4.000 -4.211 4.411 1.00 10.00 H new ATOM 185 N ILE A 13 -5.883 -3.215 6.138 1.00 10.00 N ATOM 186 CA ILE A 13 -5.626 -4.094 7.283 1.00 10.00 C ATOM 187 C ILE A 13 -6.806 -5.046 7.535 1.00 10.00 C ATOM 188 O ILE A 13 -6.628 -6.264 7.559 1.00 10.00 O ATOM 189 CB ILE A 13 -5.274 -3.249 8.526 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.902 -2.558 8.393 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.341 -4.061 9.827 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.695 -3.487 8.564 1.00 10.00 C ATOM 0 H ILE A 13 -5.731 -2.227 6.342 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.768 -4.727 7.057 1.00 10.00 H new ATOM 0 HB ILE A 13 -6.038 -2.473 8.580 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.843 -2.085 7.413 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.838 -1.762 9.135 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.085 -3.419 10.670 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.350 -4.451 9.961 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.636 -4.891 9.775 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.775 -2.913 8.454 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.723 -3.941 9.554 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.727 -4.269 7.805 1.00 10.00 H new ATOM 204 N LYS A 14 -8.021 -4.509 7.686 1.00 10.00 N ATOM 205 CA LYS A 14 -9.231 -5.317 7.843 1.00 10.00 C ATOM 206 C LYS A 14 -9.378 -6.345 6.707 1.00 10.00 C ATOM 207 O LYS A 14 -9.587 -7.533 6.949 1.00 10.00 O ATOM 208 CB LYS A 14 -10.443 -4.380 7.937 1.00 10.00 C ATOM 209 CG LYS A 14 -11.738 -5.146 8.242 1.00 10.00 C ATOM 210 CD LYS A 14 -12.967 -4.221 8.248 1.00 10.00 C ATOM 211 CE LYS A 14 -12.913 -3.114 9.308 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.750 -3.661 10.667 1.00 10.00 N ATOM 0 H LYS A 14 -8.191 -3.503 7.703 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.163 -5.897 8.763 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.268 -3.638 8.716 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.555 -3.837 6.999 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.879 -5.931 7.499 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.649 -5.637 9.211 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -13.068 -3.763 7.264 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -13.861 -4.823 8.412 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.086 -2.440 9.087 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -13.827 -2.523 9.262 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.820 -2.891 11.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -13.496 -4.362 10.851 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.819 -4.117 10.748 1.00 10.00 H new ATOM 226 N THR A 15 -9.246 -5.891 5.459 1.00 10.00 N ATOM 227 CA THR A 15 -9.341 -6.744 4.273 1.00 10.00 C ATOM 228 C THR A 15 -8.250 -7.830 4.251 1.00 10.00 C ATOM 229 O THR A 15 -8.503 -8.964 3.857 1.00 10.00 O ATOM 230 CB THR A 15 -9.308 -5.881 3.002 1.00 10.00 C ATOM 231 OG1 THR A 15 -10.310 -4.891 3.059 1.00 10.00 O ATOM 232 CG2 THR A 15 -9.611 -6.715 1.763 1.00 10.00 C ATOM 0 H THR A 15 -9.068 -4.910 5.241 1.00 10.00 H new ATOM 0 HA THR A 15 -10.295 -7.270 4.311 1.00 10.00 H new ATOM 0 HB THR A 15 -8.311 -5.445 2.944 1.00 10.00 H new ATOM 0 HG1 THR A 15 -10.029 -4.176 3.667 1.00 10.00 H new ATOM 0 HG21 THR A 15 -9.581 -6.078 0.879 1.00 10.00 H new ATOM 0 HG22 THR A 15 -8.867 -7.506 1.666 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.602 -7.159 1.857 1.00 10.00 H new ATOM 240 N LEU A 16 -7.033 -7.501 4.688 1.00 10.00 N ATOM 241 CA LEU A 16 -5.919 -8.435 4.819 1.00 10.00 C ATOM 242 C LEU A 16 -6.256 -9.516 5.848 1.00 10.00 C ATOM 243 O LEU A 16 -6.181 -10.708 5.550 1.00 10.00 O ATOM 244 CB LEU A 16 -4.651 -7.644 5.181 1.00 10.00 C ATOM 245 CG LEU A 16 -3.344 -8.437 5.007 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.189 -7.448 4.811 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.032 -9.316 6.225 1.00 10.00 C ATOM 0 H LEU A 16 -6.791 -6.550 4.968 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.736 -8.951 3.876 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.605 -6.749 4.561 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.726 -7.312 6.216 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.463 -9.089 4.142 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.256 -7.998 4.686 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.375 -6.843 3.924 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.114 -6.799 5.683 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.101 -9.856 6.055 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.931 -8.688 7.110 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.842 -10.029 6.376 1.00 10.00 H new ATOM 259 N ARG A 17 -6.663 -9.096 7.051 1.00 10.00 N ATOM 260 CA ARG A 17 -7.129 -10.006 8.093 1.00 10.00 C ATOM 261 C ARG A 17 -8.252 -10.921 7.590 1.00 10.00 C ATOM 262 O ARG A 17 -8.182 -12.131 7.776 1.00 10.00 O ATOM 263 CB ARG A 17 -7.557 -9.217 9.335 1.00 10.00 C ATOM 264 CG ARG A 17 -6.338 -8.624 10.057 1.00 10.00 C ATOM 265 CD ARG A 17 -6.722 -8.150 11.461 1.00 10.00 C ATOM 266 NE ARG A 17 -7.041 -9.302 12.318 1.00 10.00 N ATOM 267 CZ ARG A 17 -7.471 -9.243 13.581 1.00 10.00 C ATOM 268 NH1 ARG A 17 -7.645 -8.072 14.190 1.00 10.00 N ATOM 269 NH2 ARG A 17 -7.728 -10.368 14.237 1.00 10.00 N ATOM 0 H ARG A 17 -6.677 -8.114 7.326 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.299 -10.655 8.370 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -8.237 -8.416 9.045 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.104 -9.870 10.014 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -5.548 -9.372 10.123 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -5.939 -7.789 9.482 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -5.902 -7.580 11.897 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -7.581 -7.481 11.404 1.00 10.00 H new ATOM 0 HE ARG A 17 -6.923 -10.230 11.911 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -7.449 -7.204 13.692 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -7.974 -8.043 15.155 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -7.597 -11.268 13.776 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -8.057 -10.332 15.202 1.00 10.00 H new ATOM 283 N LYS A 18 -9.259 -10.365 6.908 1.00 10.00 N ATOM 284 CA LYS A 18 -10.284 -11.153 6.223 1.00 10.00 C ATOM 285 C LYS A 18 -9.651 -12.183 5.270 1.00 10.00 C ATOM 286 O LYS A 18 -9.818 -13.385 5.469 1.00 10.00 O ATOM 287 CB LYS A 18 -11.275 -10.192 5.542 1.00 10.00 C ATOM 288 CG LYS A 18 -12.451 -10.849 4.795 1.00 10.00 C ATOM 289 CD LYS A 18 -12.142 -11.456 3.413 1.00 10.00 C ATOM 290 CE LYS A 18 -11.480 -10.463 2.449 1.00 10.00 C ATOM 291 NZ LYS A 18 -11.241 -11.081 1.135 1.00 10.00 N ATOM 0 H LYS A 18 -9.385 -9.357 6.817 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.849 -11.749 6.939 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.681 -9.523 6.301 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.722 -9.573 4.835 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.859 -11.636 5.429 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -13.235 -10.102 4.671 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -11.488 -12.319 3.541 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.068 -11.821 2.969 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -12.116 -9.586 2.332 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -10.535 -10.118 2.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.478 -10.571 0.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.966 -12.076 1.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -12.110 -11.034 0.566 1.00 10.00 H new ATOM 305 N CYS A 19 -8.897 -11.732 4.260 1.00 10.00 N ATOM 306 CA CYS A 19 -8.261 -12.592 3.259 1.00 10.00 C ATOM 307 C CYS A 19 -7.475 -13.754 3.886 1.00 10.00 C ATOM 308 O CYS A 19 -7.601 -14.900 3.460 1.00 10.00 O ATOM 309 CB CYS A 19 -7.363 -11.750 2.349 1.00 10.00 C ATOM 310 SG CYS A 19 -6.357 -12.701 1.179 1.00 10.00 S ATOM 0 H CYS A 19 -8.709 -10.740 4.114 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.054 -13.047 2.666 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.988 -11.056 1.788 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.700 -11.150 2.972 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.155 -11.995 0.106 1.00 10.00 H new ATOM 315 N LYS A 20 -6.663 -13.455 4.906 1.00 10.00 N ATOM 316 CA LYS A 20 -5.851 -14.449 5.605 1.00 10.00 C ATOM 317 C LYS A 20 -6.556 -15.077 6.823 1.00 10.00 C ATOM 318 O LYS A 20 -5.909 -15.799 7.582 1.00 10.00 O ATOM 319 CB LYS A 20 -4.510 -13.812 5.999 1.00 10.00 C ATOM 320 CG LYS A 20 -3.750 -13.291 4.771 1.00 10.00 C ATOM 321 CD LYS A 20 -2.304 -12.964 5.160 1.00 10.00 C ATOM 322 CE LYS A 20 -1.530 -12.436 3.948 1.00 10.00 C ATOM 323 NZ LYS A 20 -0.122 -12.186 4.299 1.00 10.00 N ATOM 0 H LYS A 20 -6.552 -12.509 5.270 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.682 -15.279 4.919 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.687 -12.991 6.694 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -3.897 -14.546 6.522 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -3.763 -14.039 3.978 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -4.241 -12.401 4.378 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.295 -12.221 5.957 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -1.815 -13.857 5.551 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.584 -13.158 3.133 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -1.990 -11.515 3.590 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 0.348 -11.689 3.516 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -0.077 -11.601 5.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 0.359 -13.092 4.472 1.00 10.00 H new ATOM 337 N ILE A 21 -7.851 -14.812 7.040 1.00 10.00 N ATOM 338 CA ILE A 21 -8.656 -15.264 8.183 1.00 10.00 C ATOM 339 C ILE A 21 -8.238 -14.643 9.534 1.00 10.00 C ATOM 340 O ILE A 21 -9.081 -14.139 10.272 1.00 10.00 O ATOM 341 CB ILE A 21 -8.740 -16.806 8.248 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.141 -17.447 6.904 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.704 -17.251 9.358 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.494 -16.982 6.354 1.00 10.00 C ATOM 0 H ILE A 21 -8.395 -14.246 6.388 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.662 -14.885 8.000 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.735 -17.159 8.478 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.369 -17.227 6.167 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.166 -18.530 7.026 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.748 -18.340 9.386 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.350 -16.877 10.319 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.699 -16.853 9.158 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.694 -17.484 5.407 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.281 -17.227 7.068 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.471 -15.904 6.195 1.00 10.00 H new ATOM 356 N ILE A 22 -6.952 -14.722 9.893 1.00 10.00 N ATOM 357 CA ILE A 22 -6.412 -14.293 11.185 1.00 10.00 C ATOM 358 C ILE A 22 -6.784 -12.851 11.576 1.00 10.00 C ATOM 359 O ILE A 22 -6.682 -11.953 10.712 1.00 10.00 O ATOM 360 CB ILE A 22 -4.886 -14.529 11.230 1.00 10.00 C ATOM 361 CG1 ILE A 22 -4.132 -13.727 10.149 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.588 -16.033 11.116 1.00 10.00 C ATOM 363 CD1 ILE A 22 -2.614 -13.929 10.202 1.00 10.00 C ATOM 364 OXT ILE A 22 -7.140 -12.659 12.760 1.00 10.00 O ATOM 0 H ILE A 22 -6.236 -15.099 9.271 1.00 10.00 H new ATOM 0 HA ILE A 22 -6.890 -14.914 11.943 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.521 -14.164 12.190 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -4.498 -14.021 9.165 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -4.356 -12.667 10.269 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.510 -16.194 11.148 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -5.059 -16.561 11.945 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -4.983 -16.412 10.174 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.141 -13.339 9.417 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.238 -13.608 11.174 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.382 -14.984 10.053 1.00 10.00 H new ATOM 465 N ILE B 7 2.159 9.126 -3.551 1.00 10.00 N ATOM 466 CA ILE B 7 1.428 8.649 -4.726 1.00 10.00 C ATOM 467 C ILE B 7 1.656 7.149 -4.989 1.00 10.00 C ATOM 468 O ILE B 7 0.704 6.400 -5.205 1.00 10.00 O ATOM 469 CB ILE B 7 1.730 9.531 -5.956 1.00 10.00 C ATOM 470 CG1 ILE B 7 3.210 9.487 -6.385 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.275 10.971 -5.676 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.509 10.391 -7.585 1.00 10.00 C ATOM 0 HA ILE B 7 0.363 8.746 -4.517 1.00 10.00 H new ATOM 0 HB ILE B 7 1.168 9.126 -6.797 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.836 9.788 -5.545 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.481 8.461 -6.633 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.488 11.595 -6.544 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.204 10.982 -5.475 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.810 11.360 -4.810 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.566 10.318 -7.841 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.907 10.076 -8.437 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.267 11.423 -7.332 1.00 10.00 H new ATOM 484 N GLU B 8 2.910 6.691 -4.927 1.00 10.00 N ATOM 485 CA GLU B 8 3.260 5.289 -5.126 1.00 10.00 C ATOM 486 C GLU B 8 2.689 4.435 -3.987 1.00 10.00 C ATOM 487 O GLU B 8 2.059 3.405 -4.224 1.00 10.00 O ATOM 488 CB GLU B 8 4.785 5.173 -5.240 1.00 10.00 C ATOM 489 CG GLU B 8 5.218 3.740 -5.585 1.00 10.00 C ATOM 490 CD GLU B 8 6.732 3.627 -5.728 1.00 10.00 C ATOM 491 OE1 GLU B 8 7.382 3.394 -4.686 1.00 10.00 O ATOM 492 OE2 GLU B 8 7.208 3.787 -6.872 1.00 10.00 O ATOM 0 H GLU B 8 3.713 7.290 -4.736 1.00 10.00 H new ATOM 0 HA GLU B 8 2.821 4.912 -6.050 1.00 10.00 H new ATOM 0 HB2 GLU B 8 5.146 5.858 -6.007 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.245 5.476 -4.300 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.874 3.059 -4.807 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.741 3.429 -6.514 1.00 10.00 H new ATOM 499 N ALA B 9 2.878 4.900 -2.749 1.00 10.00 N ATOM 500 CA ALA B 9 2.284 4.302 -1.560 1.00 10.00 C ATOM 501 C ALA B 9 0.768 4.119 -1.711 1.00 10.00 C ATOM 502 O ALA B 9 0.256 3.015 -1.539 1.00 10.00 O ATOM 503 CB ALA B 9 2.653 5.141 -0.336 1.00 10.00 C ATOM 0 H ALA B 9 3.457 5.715 -2.546 1.00 10.00 H new ATOM 0 HA ALA B 9 2.689 3.299 -1.424 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.211 4.697 0.556 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.737 5.169 -0.228 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.274 6.155 -0.463 1.00 10.00 H new ATOM 509 N ARG B 10 0.058 5.189 -2.074 1.00 10.00 N ATOM 510 CA ARG B 10 -1.377 5.184 -2.338 1.00 10.00 C ATOM 511 C ARG B 10 -1.752 4.168 -3.428 1.00 10.00 C ATOM 512 O ARG B 10 -2.644 3.342 -3.232 1.00 10.00 O ATOM 513 CB ARG B 10 -1.810 6.607 -2.719 1.00 10.00 C ATOM 514 CG ARG B 10 -3.332 6.814 -2.742 1.00 10.00 C ATOM 515 CD ARG B 10 -3.995 6.765 -1.359 1.00 10.00 C ATOM 516 NE ARG B 10 -3.410 7.765 -0.444 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.044 8.462 0.504 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.336 8.285 0.763 1.00 10.00 N ATOM 519 NH2 ARG B 10 -3.377 9.367 1.211 1.00 10.00 N ATOM 0 H ARG B 10 0.481 6.109 -2.195 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.907 4.872 -1.438 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.369 7.311 -2.013 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.406 6.847 -3.703 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.549 7.778 -3.203 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.782 6.049 -3.375 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -5.065 6.945 -1.461 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.878 5.768 -0.933 1.00 10.00 H new ATOM 0 HE ARG B 10 -2.411 7.944 -0.547 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -5.874 7.601 0.231 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -5.790 8.834 1.494 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -2.386 9.527 1.029 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -3.856 9.902 1.936 1.00 10.00 H new ATOM 533 N LYS B 11 -1.073 4.204 -4.578 1.00 10.00 N ATOM 534 CA LYS B 11 -1.336 3.258 -5.659 1.00 10.00 C ATOM 535 C LYS B 11 -1.125 1.800 -5.226 1.00 10.00 C ATOM 536 O LYS B 11 -2.010 0.967 -5.435 1.00 10.00 O ATOM 537 CB LYS B 11 -0.504 3.619 -6.899 1.00 10.00 C ATOM 538 CG LYS B 11 -0.968 4.920 -7.575 1.00 10.00 C ATOM 539 CD LYS B 11 -2.319 4.764 -8.289 1.00 10.00 C ATOM 540 CE LYS B 11 -2.676 6.059 -9.024 1.00 10.00 C ATOM 541 NZ LYS B 11 -3.998 5.951 -9.665 1.00 10.00 N ATOM 0 H LYS B 11 -0.337 4.880 -4.782 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.390 3.340 -5.923 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.543 3.719 -6.611 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.560 2.802 -7.618 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.046 5.707 -6.825 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -0.215 5.240 -8.295 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -2.272 3.936 -8.996 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -3.096 4.521 -7.565 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -2.675 6.893 -8.322 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -1.918 6.275 -9.777 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -4.219 6.840 -10.157 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -3.989 5.169 -10.351 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -4.721 5.767 -8.940 1.00 10.00 H new ATOM 555 N TYR B 12 0.012 1.461 -4.602 1.00 10.00 N ATOM 556 CA TYR B 12 0.211 0.088 -4.141 1.00 10.00 C ATOM 557 C TYR B 12 -0.760 -0.293 -3.009 1.00 10.00 C ATOM 558 O TYR B 12 -1.248 -1.420 -2.987 1.00 10.00 O ATOM 559 CB TYR B 12 1.693 -0.248 -3.888 1.00 10.00 C ATOM 560 CG TYR B 12 2.274 0.070 -2.523 1.00 10.00 C ATOM 561 CD1 TYR B 12 1.875 -0.684 -1.404 1.00 10.00 C ATOM 562 CD2 TYR B 12 3.385 0.928 -2.412 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.452 -0.444 -0.147 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.999 1.128 -1.162 1.00 10.00 C ATOM 565 CZ TYR B 12 3.473 0.507 -0.022 1.00 10.00 C ATOM 566 OH TYR B 12 3.890 0.892 1.213 1.00 10.00 O ATOM 0 H TYR B 12 0.784 2.100 -4.411 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.063 -0.576 -4.961 1.00 10.00 H new ATOM 0 HB2 TYR B 12 1.829 -1.314 -4.068 1.00 10.00 H new ATOM 0 HB3 TYR B 12 2.287 0.279 -4.634 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.122 -1.450 -1.513 1.00 10.00 H new ATOM 0 HD2 TYR B 12 3.766 1.433 -3.287 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.110 -0.990 0.720 1.00 10.00 H new ATOM 0 HE2 TYR B 12 4.873 1.758 -1.082 1.00 10.00 H new ATOM 0 HH TYR B 12 3.130 1.248 1.719 1.00 10.00 H new ATOM 576 N LEU B 13 -1.098 0.635 -2.103 1.00 10.00 N ATOM 577 CA LEU B 13 -2.175 0.453 -1.124 1.00 10.00 C ATOM 578 C LEU B 13 -3.467 0.022 -1.827 1.00 10.00 C ATOM 579 O LEU B 13 -4.011 -1.039 -1.530 1.00 10.00 O ATOM 580 CB LEU B 13 -2.355 1.741 -0.296 1.00 10.00 C ATOM 581 CG LEU B 13 -3.303 1.651 0.913 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.054 2.862 1.821 1.00 10.00 C ATOM 583 CD2 LEU B 13 -4.787 1.644 0.519 1.00 10.00 C ATOM 0 H LEU B 13 -0.628 1.537 -2.030 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.910 -0.345 -0.431 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.375 2.057 0.061 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.721 2.525 -0.959 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.092 0.708 1.417 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.719 2.813 2.683 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.018 2.855 2.160 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -3.248 3.779 1.265 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -5.402 1.579 1.417 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -5.025 2.562 -0.018 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -4.989 0.786 -0.122 1.00 10.00 H new ATOM 595 N GLU B 14 -3.942 0.822 -2.785 1.00 10.00 N ATOM 596 CA GLU B 14 -5.112 0.498 -3.597 1.00 10.00 C ATOM 597 C GLU B 14 -4.982 -0.887 -4.256 1.00 10.00 C ATOM 598 O GLU B 14 -5.886 -1.714 -4.144 1.00 10.00 O ATOM 599 CB GLU B 14 -5.324 1.613 -4.631 1.00 10.00 C ATOM 600 CG GLU B 14 -5.794 2.916 -3.959 1.00 10.00 C ATOM 601 CD GLU B 14 -5.748 4.136 -4.880 1.00 10.00 C ATOM 602 OE1 GLU B 14 -5.332 3.977 -6.049 1.00 10.00 O ATOM 603 OE2 GLU B 14 -6.133 5.218 -4.387 1.00 10.00 O ATOM 0 H GLU B 14 -3.520 1.720 -3.019 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.991 0.441 -2.955 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -4.394 1.794 -5.170 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -6.062 1.294 -5.367 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.814 2.781 -3.600 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -5.172 3.108 -3.085 1.00 10.00 H new ATOM 610 N GLN B 15 -3.855 -1.155 -4.926 1.00 10.00 N ATOM 611 CA GLN B 15 -3.590 -2.443 -5.567 1.00 10.00 C ATOM 612 C GLN B 15 -3.727 -3.620 -4.585 1.00 10.00 C ATOM 613 O GLN B 15 -4.511 -4.542 -4.817 1.00 10.00 O ATOM 614 CB GLN B 15 -2.205 -2.408 -6.234 1.00 10.00 C ATOM 615 CG GLN B 15 -1.995 -3.569 -7.220 1.00 10.00 C ATOM 616 CD GLN B 15 -2.863 -3.448 -8.470 1.00 10.00 C ATOM 617 OE1 GLN B 15 -3.777 -4.231 -8.694 1.00 10.00 O ATOM 618 NE2 GLN B 15 -2.599 -2.455 -9.305 1.00 10.00 N ATOM 0 H GLN B 15 -3.099 -0.479 -5.038 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.345 -2.609 -6.336 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.083 -1.462 -6.761 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.434 -2.446 -5.464 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -0.946 -3.605 -7.514 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.218 -4.511 -6.718 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.834 -1.810 -9.105 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -3.160 -2.335 -10.148 1.00 10.00 H new ATOM 627 N LEU B 16 -2.981 -3.583 -3.476 1.00 10.00 N ATOM 628 CA LEU B 16 -3.048 -4.595 -2.426 1.00 10.00 C ATOM 629 C LEU B 16 -4.468 -4.731 -1.868 1.00 10.00 C ATOM 630 O LEU B 16 -4.994 -5.835 -1.801 1.00 10.00 O ATOM 631 CB LEU B 16 -2.062 -4.268 -1.296 1.00 10.00 C ATOM 632 CG LEU B 16 -0.578 -4.404 -1.675 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.268 -4.000 -0.463 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.203 -5.837 -2.078 1.00 10.00 C ATOM 0 H LEU B 16 -2.308 -2.841 -3.284 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.769 -5.550 -2.871 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -2.244 -3.248 -0.958 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.268 -4.925 -0.451 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.391 -3.760 -2.534 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.326 -4.090 -0.711 1.00 10.00 H new ATOM 0 HD12 LEU B 16 0.045 -2.968 -0.191 1.00 10.00 H new ATOM 0 HD13 LEU B 16 0.036 -4.654 0.377 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.855 -5.877 -2.336 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.400 -6.512 -1.245 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.798 -6.140 -2.939 1.00 10.00 H new ATOM 646 N HIS B 17 -5.108 -3.629 -1.475 1.00 10.00 N ATOM 647 CA HIS B 17 -6.466 -3.658 -0.944 1.00 10.00 C ATOM 648 C HIS B 17 -7.453 -4.310 -1.928 1.00 10.00 C ATOM 649 O HIS B 17 -8.264 -5.146 -1.524 1.00 10.00 O ATOM 650 CB HIS B 17 -6.889 -2.238 -0.556 1.00 10.00 C ATOM 651 CG HIS B 17 -8.178 -2.169 0.224 1.00 10.00 C ATOM 652 ND1 HIS B 17 -9.182 -3.116 0.245 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.576 -1.128 1.019 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.168 -2.642 1.025 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.843 -1.436 1.519 1.00 10.00 N ATOM 0 H HIS B 17 -4.699 -2.696 -1.517 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.482 -4.281 -0.050 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -6.095 -1.783 0.036 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.993 -1.641 -1.462 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -9.176 -4.012 -0.243 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.012 -0.230 1.223 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -11.094 -3.159 1.227 1.00 10.00 H new ATOM 663 N ARG B 18 -7.393 -3.942 -3.210 1.00 10.00 N ATOM 664 CA ARG B 18 -8.187 -4.572 -4.261 1.00 10.00 C ATOM 665 C ARG B 18 -7.894 -6.076 -4.372 1.00 10.00 C ATOM 666 O ARG B 18 -8.817 -6.887 -4.352 1.00 10.00 O ATOM 667 CB ARG B 18 -7.940 -3.856 -5.592 1.00 10.00 C ATOM 668 CG ARG B 18 -8.691 -2.518 -5.653 1.00 10.00 C ATOM 669 CD ARG B 18 -8.284 -1.670 -6.865 1.00 10.00 C ATOM 670 NE ARG B 18 -8.429 -2.407 -8.135 1.00 10.00 N ATOM 671 CZ ARG B 18 -7.466 -3.092 -8.766 1.00 10.00 C ATOM 672 NH1 ARG B 18 -6.246 -3.182 -8.249 1.00 10.00 N ATOM 673 NH2 ARG B 18 -7.732 -3.701 -9.916 1.00 10.00 N ATOM 0 H ARG B 18 -6.788 -3.194 -3.547 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.241 -4.478 -4.000 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -6.872 -3.682 -5.721 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -8.261 -4.494 -6.416 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.764 -2.709 -5.691 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.499 -1.955 -4.739 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.896 -0.769 -6.898 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -7.249 -1.348 -6.750 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.350 -2.394 -8.574 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -6.033 -2.727 -7.361 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -5.522 -3.707 -8.739 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -8.668 -3.647 -10.317 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -7.000 -4.223 -10.398 1.00 10.00 H new ATOM 687 N LYS B 19 -6.618 -6.467 -4.459 1.00 10.00 N ATOM 688 CA LYS B 19 -6.225 -7.877 -4.488 1.00 10.00 C ATOM 689 C LYS B 19 -6.772 -8.651 -3.274 1.00 10.00 C ATOM 690 O LYS B 19 -7.387 -9.705 -3.420 1.00 10.00 O ATOM 691 CB LYS B 19 -4.696 -7.965 -4.586 1.00 10.00 C ATOM 692 CG LYS B 19 -4.215 -9.413 -4.741 1.00 10.00 C ATOM 693 CD LYS B 19 -2.691 -9.434 -4.912 1.00 10.00 C ATOM 694 CE LYS B 19 -2.149 -10.867 -4.966 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.650 -11.598 -6.144 1.00 10.00 N ATOM 0 H LYS B 19 -5.833 -5.817 -4.511 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.664 -8.352 -5.365 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.352 -7.375 -5.436 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.249 -7.528 -3.693 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -4.501 -9.997 -3.866 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.694 -9.876 -5.604 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.420 -8.907 -5.827 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.224 -8.899 -4.085 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -1.060 -10.843 -4.990 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.436 -11.399 -4.059 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.184 -12.526 -6.201 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.678 -11.732 -6.058 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -2.443 -11.053 -7.005 1.00 10.00 H new ATOM 709 N LEU B 20 -6.564 -8.120 -2.070 1.00 10.00 N ATOM 710 CA LEU B 20 -7.019 -8.705 -0.811 1.00 10.00 C ATOM 711 C LEU B 20 -8.551 -8.703 -0.686 1.00 10.00 C ATOM 712 O LEU B 20 -9.115 -9.564 -0.016 1.00 10.00 O ATOM 713 CB LEU B 20 -6.343 -7.980 0.361 1.00 10.00 C ATOM 714 CG LEU B 20 -4.811 -8.139 0.369 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.203 -7.093 1.306 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.385 -9.541 0.824 1.00 10.00 C ATOM 0 H LEU B 20 -6.058 -7.244 -1.941 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.725 -9.754 -0.791 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.592 -6.920 0.316 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.747 -8.363 1.298 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.451 -7.996 -0.650 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.118 -7.200 1.316 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.466 -6.095 0.956 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.591 -7.238 2.314 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.297 -9.611 0.815 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.753 -9.723 1.834 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.802 -10.286 0.146 1.00 10.00 H new ATOM 728 N LYS B 21 -9.258 -7.777 -1.340 1.00 10.00 N ATOM 729 CA LYS B 21 -10.701 -7.915 -1.521 1.00 10.00 C ATOM 730 C LYS B 21 -11.007 -9.109 -2.444 1.00 10.00 C ATOM 731 O LYS B 21 -11.709 -10.040 -2.053 1.00 10.00 O ATOM 732 CB LYS B 21 -11.285 -6.592 -2.038 1.00 10.00 C ATOM 733 CG LYS B 21 -12.811 -6.664 -2.183 1.00 10.00 C ATOM 734 CD LYS B 21 -13.419 -5.298 -2.536 1.00 10.00 C ATOM 735 CE LYS B 21 -12.852 -4.679 -3.822 1.00 10.00 C ATOM 736 NZ LYS B 21 -12.962 -5.598 -4.970 1.00 10.00 N ATOM 0 H LYS B 21 -8.857 -6.933 -1.748 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.182 -8.127 -0.566 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -11.022 -5.786 -1.353 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.839 -6.349 -3.002 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.068 -7.387 -2.957 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.247 -7.026 -1.252 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -14.498 -5.408 -2.642 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.249 -4.610 -1.708 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -13.384 -3.754 -4.045 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -11.806 -4.415 -3.667 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -12.663 -5.108 -5.837 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -12.352 -6.425 -4.812 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -13.949 -5.910 -5.072 1.00 10.00 H new ATOM 750 N ASN B 22 -10.449 -9.099 -3.661 1.00 10.00 N ATOM 751 CA ASN B 22 -10.638 -10.138 -4.681 1.00 10.00 C ATOM 752 C ASN B 22 -10.316 -11.552 -4.162 1.00 10.00 C ATOM 753 O ASN B 22 -10.950 -12.518 -4.581 1.00 10.00 O ATOM 754 CB ASN B 22 -9.796 -9.788 -5.919 1.00 10.00 C ATOM 755 CG ASN B 22 -10.303 -10.403 -7.224 1.00 10.00 C ATOM 756 OD1 ASN B 22 -10.273 -9.758 -8.264 1.00 10.00 O ATOM 757 ND2 ASN B 22 -10.779 -11.641 -7.224 1.00 10.00 N ATOM 0 H ASN B 22 -9.836 -8.346 -3.972 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.694 -10.159 -4.951 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.768 -8.704 -6.029 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -8.771 -10.118 -5.751 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.120 -12.056 -8.091 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.804 -12.178 -6.357 1.00 10.00 H new ATOM 914 N PRO C 7 5.902 6.348 5.528 1.00 10.00 N ATOM 915 CA PRO C 7 6.763 5.229 5.145 1.00 10.00 C ATOM 916 C PRO C 7 6.665 4.052 6.127 1.00 10.00 C ATOM 917 O PRO C 7 6.900 2.903 5.754 1.00 10.00 O ATOM 918 CB PRO C 7 8.177 5.816 5.068 1.00 10.00 C ATOM 919 CG PRO C 7 8.126 6.985 6.051 1.00 10.00 C ATOM 920 CD PRO C 7 6.701 7.508 5.880 1.00 10.00 C ATOM 0 HA PRO C 7 6.460 4.801 4.190 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.933 5.084 5.353 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.420 6.149 4.059 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.318 6.662 7.074 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.868 7.747 5.812 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.339 7.969 6.799 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.653 8.269 5.101 1.00 10.00 H new ATOM 928 N GLY C 8 6.247 4.320 7.370 1.00 10.00 N ATOM 929 CA GLY C 8 5.818 3.296 8.317 1.00 10.00 C ATOM 930 C GLY C 8 4.858 2.269 7.696 1.00 10.00 C ATOM 931 O GLY C 8 4.959 1.078 7.982 1.00 10.00 O ATOM 0 H GLY C 8 6.198 5.267 7.746 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.695 2.777 8.705 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.330 3.775 9.165 1.00 10.00 H new ATOM 935 N PHE C 9 3.949 2.711 6.817 1.00 10.00 N ATOM 936 CA PHE C 9 3.096 1.816 6.037 1.00 10.00 C ATOM 937 C PHE C 9 3.930 0.820 5.216 1.00 10.00 C ATOM 938 O PHE C 9 3.703 -0.385 5.272 1.00 10.00 O ATOM 939 CB PHE C 9 2.186 2.655 5.131 1.00 10.00 C ATOM 940 CG PHE C 9 1.348 1.861 4.152 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.483 0.854 4.615 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.443 2.122 2.773 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.280 0.106 3.701 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.683 1.375 1.860 1.00 10.00 C ATOM 945 CZ PHE C 9 -0.163 0.353 2.322 1.00 10.00 C ATOM 0 H PHE C 9 3.787 3.700 6.629 1.00 10.00 H new ATOM 0 HA PHE C 9 2.482 1.227 6.718 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.520 3.247 5.759 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.804 3.357 4.571 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.405 0.655 5.674 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.102 2.899 2.416 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.955 -0.658 4.058 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.748 1.586 0.803 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.724 -0.243 1.617 1.00 10.00 H new ATOM 955 N THR C 10 4.920 1.315 4.471 1.00 10.00 N ATOM 956 CA THR C 10 5.838 0.486 3.693 1.00 10.00 C ATOM 957 C THR C 10 6.638 -0.468 4.583 1.00 10.00 C ATOM 958 O THR C 10 6.754 -1.650 4.270 1.00 10.00 O ATOM 959 CB THR C 10 6.757 1.382 2.848 1.00 10.00 C ATOM 960 OG1 THR C 10 5.988 2.391 2.228 1.00 10.00 O ATOM 961 CG2 THR C 10 7.463 0.582 1.752 1.00 10.00 C ATOM 0 H THR C 10 5.108 2.314 4.391 1.00 10.00 H new ATOM 0 HA THR C 10 5.252 -0.141 3.022 1.00 10.00 H new ATOM 0 HB THR C 10 7.505 1.812 3.514 1.00 10.00 H new ATOM 0 HG1 THR C 10 5.194 1.991 1.816 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.105 1.246 1.173 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.068 -0.202 2.207 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.720 0.132 1.094 1.00 10.00 H new ATOM 969 N ALA C 11 7.168 0.022 5.708 1.00 10.00 N ATOM 970 CA ALA C 11 7.844 -0.823 6.693 1.00 10.00 C ATOM 971 C ALA C 11 6.936 -1.963 7.194 1.00 10.00 C ATOM 972 O ALA C 11 7.305 -3.139 7.146 1.00 10.00 O ATOM 973 CB ALA C 11 8.358 0.050 7.840 1.00 10.00 C ATOM 0 H ALA C 11 7.140 1.010 5.959 1.00 10.00 H new ATOM 0 HA ALA C 11 8.695 -1.309 6.215 1.00 10.00 H new ATOM 0 HB1 ALA C 11 8.862 -0.576 8.576 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.059 0.788 7.450 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.519 0.561 8.312 1.00 10.00 H new ATOM 979 N LEU C 12 5.724 -1.619 7.643 1.00 10.00 N ATOM 980 CA LEU C 12 4.698 -2.579 8.040 1.00 10.00 C ATOM 981 C LEU C 12 4.436 -3.598 6.926 1.00 10.00 C ATOM 982 O LEU C 12 4.608 -4.792 7.136 1.00 10.00 O ATOM 983 CB LEU C 12 3.434 -1.818 8.466 1.00 10.00 C ATOM 984 CG LEU C 12 2.317 -2.704 9.048 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.420 -1.817 9.916 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.440 -3.358 7.970 1.00 10.00 C ATOM 0 H LEU C 12 5.427 -0.648 7.741 1.00 10.00 H new ATOM 0 HA LEU C 12 5.044 -3.158 8.896 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.710 -1.069 9.209 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.041 -1.281 7.603 1.00 10.00 H new ATOM 0 HG LEU C 12 2.792 -3.506 9.613 1.00 10.00 H new ATOM 0 HD11 LEU C 12 0.617 -2.418 10.343 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.011 -1.378 10.720 1.00 10.00 H new ATOM 0 HD13 LEU C 12 0.992 -1.023 9.304 1.00 10.00 H new ATOM 0 HD21 LEU C 12 0.673 -3.969 8.446 1.00 10.00 H new ATOM 0 HD22 LEU C 12 0.965 -2.583 7.368 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.059 -3.987 7.330 1.00 10.00 H new ATOM 998 N ILE C 13 4.040 -3.148 5.732 1.00 10.00 N ATOM 999 CA ILE C 13 3.745 -4.034 4.604 1.00 10.00 C ATOM 1000 C ILE C 13 4.932 -4.944 4.255 1.00 10.00 C ATOM 1001 O ILE C 13 4.750 -6.144 4.075 1.00 10.00 O ATOM 1002 CB ILE C 13 3.250 -3.208 3.402 1.00 10.00 C ATOM 1003 CG1 ILE C 13 1.869 -2.576 3.671 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.213 -4.031 2.105 1.00 10.00 C ATOM 1005 CD1 ILE C 13 0.696 -3.563 3.720 1.00 10.00 C ATOM 0 H ILE C 13 3.915 -2.158 5.521 1.00 10.00 H new ATOM 0 HA ILE C 13 2.941 -4.710 4.896 1.00 10.00 H new ATOM 0 HB ILE C 13 3.975 -2.405 3.268 1.00 10.00 H new ATOM 0 HG12 ILE C 13 1.911 -2.040 4.619 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.669 -1.837 2.895 1.00 10.00 H new ATOM 0 HG21 ILE C 13 2.857 -3.405 1.287 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.215 -4.394 1.875 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.540 -4.879 2.231 1.00 10.00 H new ATOM 0 HD11 ILE C 13 -0.229 -3.020 3.914 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.618 -4.083 2.765 1.00 10.00 H new ATOM 0 HD13 ILE C 13 0.864 -4.289 4.515 1.00 10.00 H new ATOM 1017 N LYS C 14 6.150 -4.402 4.178 1.00 10.00 N ATOM 1018 CA LYS C 14 7.359 -5.180 3.918 1.00 10.00 C ATOM 1019 C LYS C 14 7.583 -6.269 4.982 1.00 10.00 C ATOM 1020 O LYS C 14 7.729 -7.449 4.657 1.00 10.00 O ATOM 1021 CB LYS C 14 8.544 -4.211 3.821 1.00 10.00 C ATOM 1022 CG LYS C 14 9.872 -4.930 3.553 1.00 10.00 C ATOM 1023 CD LYS C 14 10.986 -3.963 3.121 1.00 10.00 C ATOM 1024 CE LYS C 14 11.270 -2.854 4.145 1.00 10.00 C ATOM 1025 NZ LYS C 14 10.387 -1.685 3.956 1.00 10.00 N ATOM 0 H LYS C 14 6.324 -3.404 4.295 1.00 10.00 H new ATOM 0 HA LYS C 14 7.253 -5.715 2.974 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.357 -3.492 3.023 1.00 10.00 H new ATOM 0 HB3 LYS C 14 8.622 -3.644 4.749 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.183 -5.459 4.453 1.00 10.00 H new ATOM 0 HG3 LYS C 14 9.725 -5.681 2.777 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.901 -4.530 2.949 1.00 10.00 H new ATOM 0 HD3 LYS C 14 10.711 -3.506 2.170 1.00 10.00 H new ATOM 0 HE2 LYS C 14 11.138 -3.249 5.152 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.310 -2.540 4.060 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 10.819 -0.849 4.398 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 10.256 -1.510 2.939 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 9.464 -1.872 4.397 1.00 10.00 H new ATOM 1039 N THR C 15 7.606 -5.881 6.261 1.00 10.00 N ATOM 1040 CA THR C 15 7.769 -6.835 7.361 1.00 10.00 C ATOM 1041 C THR C 15 6.640 -7.877 7.396 1.00 10.00 C ATOM 1042 O THR C 15 6.907 -9.057 7.603 1.00 10.00 O ATOM 1043 CB THR C 15 7.923 -6.122 8.712 1.00 10.00 C ATOM 1044 OG1 THR C 15 6.848 -5.243 8.949 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.230 -5.330 8.786 1.00 10.00 C ATOM 0 H THR C 15 7.513 -4.910 6.560 1.00 10.00 H new ATOM 0 HA THR C 15 8.695 -7.378 7.172 1.00 10.00 H new ATOM 0 HB THR C 15 7.934 -6.901 9.475 1.00 10.00 H new ATOM 0 HG1 THR C 15 6.950 -4.444 8.391 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.304 -4.839 9.756 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.074 -6.008 8.657 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.245 -4.578 7.997 1.00 10.00 H new ATOM 1053 N LEU C 16 5.390 -7.465 7.154 1.00 10.00 N ATOM 1054 CA LEU C 16 4.238 -8.355 7.010 1.00 10.00 C ATOM 1055 C LEU C 16 4.471 -9.374 5.890 1.00 10.00 C ATOM 1056 O LEU C 16 4.438 -10.580 6.128 1.00 10.00 O ATOM 1057 CB LEU C 16 2.962 -7.522 6.777 1.00 10.00 C ATOM 1058 CG LEU C 16 1.653 -8.283 7.048 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.526 -7.265 7.246 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.266 -9.224 5.900 1.00 10.00 C ATOM 0 H LEU C 16 5.149 -6.479 7.051 1.00 10.00 H new ATOM 0 HA LEU C 16 4.107 -8.923 7.931 1.00 10.00 H new ATOM 0 HB2 LEU C 16 2.996 -6.640 7.417 1.00 10.00 H new ATOM 0 HB3 LEU C 16 2.956 -7.168 5.746 1.00 10.00 H new ATOM 0 HG LEU C 16 1.806 -8.894 7.938 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.409 -7.791 7.439 1.00 10.00 H new ATOM 0 HD12 LEU C 16 0.762 -6.621 8.093 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.422 -6.658 6.347 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.335 -9.734 6.146 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.133 -8.646 4.985 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.055 -9.961 5.752 1.00 10.00 H new ATOM 1072 N ARG C 17 4.724 -8.881 4.674 1.00 10.00 N ATOM 1073 CA ARG C 17 5.048 -9.675 3.495 1.00 10.00 C ATOM 1074 C ARG C 17 6.113 -10.728 3.816 1.00 10.00 C ATOM 1075 O ARG C 17 5.898 -11.910 3.565 1.00 10.00 O ATOM 1076 CB ARG C 17 5.443 -8.715 2.360 1.00 10.00 C ATOM 1077 CG ARG C 17 5.890 -9.371 1.044 1.00 10.00 C ATOM 1078 CD ARG C 17 7.378 -9.750 1.017 1.00 10.00 C ATOM 1079 NE ARG C 17 7.575 -11.196 1.190 1.00 10.00 N ATOM 1080 CZ ARG C 17 8.752 -11.825 1.224 1.00 10.00 C ATOM 1081 NH1 ARG C 17 9.900 -11.155 1.170 1.00 10.00 N ATOM 1082 NH2 ARG C 17 8.760 -13.148 1.315 1.00 10.00 N ATOM 0 H ARG C 17 4.707 -7.880 4.481 1.00 10.00 H new ATOM 0 HA ARG C 17 4.181 -10.246 3.162 1.00 10.00 H new ATOM 0 HB2 ARG C 17 4.593 -8.066 2.148 1.00 10.00 H new ATOM 0 HB3 ARG C 17 6.251 -8.076 2.717 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.293 -10.267 0.874 1.00 10.00 H new ATOM 0 HG3 ARG C 17 5.683 -8.689 0.220 1.00 10.00 H new ATOM 0 HD2 ARG C 17 7.817 -9.434 0.071 1.00 10.00 H new ATOM 0 HD3 ARG C 17 7.904 -9.214 1.807 1.00 10.00 H new ATOM 0 HE ARG C 17 6.738 -11.770 1.293 1.00 10.00 H new ATOM 0 HH11 ARG C 17 9.894 -10.137 1.101 1.00 10.00 H new ATOM 0 HH12 ARG C 17 10.786 -11.659 1.198 1.00 10.00 H new ATOM 0 HH21 ARG C 17 7.880 -13.662 1.357 1.00 10.00 H new ATOM 0 HH22 ARG C 17 9.646 -13.652 1.343 1.00 10.00 H new ATOM 1096 N LYS C 18 7.229 -10.318 4.427 1.00 10.00 N ATOM 1097 CA LYS C 18 8.270 -11.254 4.842 1.00 10.00 C ATOM 1098 C LYS C 18 7.755 -12.272 5.882 1.00 10.00 C ATOM 1099 O LYS C 18 7.737 -13.474 5.618 1.00 10.00 O ATOM 1100 CB LYS C 18 9.496 -10.468 5.323 1.00 10.00 C ATOM 1101 CG LYS C 18 10.753 -11.341 5.247 1.00 10.00 C ATOM 1102 CD LYS C 18 11.925 -10.623 5.927 1.00 10.00 C ATOM 1103 CE LYS C 18 13.213 -11.448 5.836 1.00 10.00 C ATOM 1104 NZ LYS C 18 13.099 -12.710 6.586 1.00 10.00 N ATOM 0 H LYS C 18 7.432 -9.342 4.644 1.00 10.00 H new ATOM 0 HA LYS C 18 8.571 -11.856 3.985 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.627 -9.576 4.711 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.341 -10.131 6.348 1.00 10.00 H new ATOM 0 HG2 LYS C 18 10.571 -12.300 5.732 1.00 10.00 H new ATOM 0 HG3 LYS C 18 10.998 -11.552 4.206 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.080 -9.651 5.459 1.00 10.00 H new ATOM 0 HD3 LYS C 18 11.683 -10.438 6.973 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.435 -11.663 4.791 1.00 10.00 H new ATOM 0 HE3 LYS C 18 14.048 -10.866 6.226 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 14.033 -13.163 6.647 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 12.746 -12.514 7.544 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 12.437 -13.346 6.097 1.00 10.00 H new ATOM 1118 N CYS C 19 7.293 -11.792 7.045 1.00 10.00 N ATOM 1119 CA CYS C 19 6.762 -12.607 8.143 1.00 10.00 C ATOM 1120 C CYS C 19 5.771 -13.680 7.666 1.00 10.00 C ATOM 1121 O CYS C 19 5.852 -14.836 8.076 1.00 10.00 O ATOM 1122 CB CYS C 19 6.090 -11.684 9.168 1.00 10.00 C ATOM 1123 SG CYS C 19 5.218 -12.518 10.520 1.00 10.00 S ATOM 0 H CYS C 19 7.279 -10.793 7.253 1.00 10.00 H new ATOM 0 HA CYS C 19 7.598 -13.139 8.596 1.00 10.00 H new ATOM 0 HB2 CYS C 19 6.851 -11.033 9.598 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.381 -11.043 8.643 1.00 10.00 H new ATOM 0 HG CYS C 19 5.432 -11.881 11.633 1.00 10.00 H new ATOM 1278 N ILE D 7 -2.469 9.252 17.149 1.00 10.00 N ATOM 1279 CA ILE D 7 -1.776 8.528 18.213 1.00 10.00 C ATOM 1280 C ILE D 7 -2.112 7.026 18.229 1.00 10.00 C ATOM 1281 O ILE D 7 -1.215 6.191 18.334 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.013 9.216 19.573 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.494 9.218 19.999 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.443 10.643 19.529 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.728 9.921 21.339 1.00 10.00 C ATOM 0 HA ILE D 7 -0.707 8.572 18.006 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.489 8.636 20.333 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.088 9.709 19.228 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.849 8.190 20.067 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.609 11.131 20.489 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.373 10.601 19.324 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -1.942 11.210 18.743 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.789 9.890 21.586 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -3.159 9.415 22.119 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.402 10.959 21.267 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.395 6.674 18.092 1.00 10.00 N ATOM 1298 CA GLU D 8 -3.855 5.289 18.077 1.00 10.00 C ATOM 1299 C GLU D 8 -3.300 4.560 16.849 1.00 10.00 C ATOM 1300 O GLU D 8 -2.658 3.520 16.971 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.392 5.284 18.144 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.005 3.870 18.156 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.012 3.181 16.790 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.496 3.822 15.832 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.533 2.029 16.729 1.00 10.00 O ATOM 0 H GLU D 8 -4.148 7.354 17.988 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.482 4.744 18.944 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -5.710 5.816 19.041 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.786 5.835 17.290 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.450 3.251 18.861 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -7.029 3.933 18.525 1.00 10.00 H new ATOM 1312 N ALA D 9 -3.532 5.130 15.665 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.035 4.611 14.399 1.00 10.00 C ATOM 1314 C ALA D 9 -1.515 4.405 14.437 1.00 10.00 C ATOM 1315 O ALA D 9 -1.028 3.325 14.113 1.00 10.00 O ATOM 1316 CB ALA D 9 -3.439 5.568 13.280 1.00 10.00 C ATOM 0 H ALA D 9 -4.082 5.983 15.562 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.478 3.633 14.213 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.072 5.189 12.326 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -4.525 5.648 13.244 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.009 6.551 13.469 1.00 10.00 H new ATOM 1322 N ARG D 10 -0.772 5.430 14.862 1.00 10.00 N ATOM 1323 CA ARG D 10 0.674 5.377 15.047 1.00 10.00 C ATOM 1324 C ARG D 10 1.086 4.232 15.981 1.00 10.00 C ATOM 1325 O ARG D 10 1.916 3.406 15.606 1.00 10.00 O ATOM 1326 CB ARG D 10 1.162 6.738 15.560 1.00 10.00 C ATOM 1327 CG ARG D 10 2.683 6.776 15.753 1.00 10.00 C ATOM 1328 CD ARG D 10 3.140 8.191 16.126 1.00 10.00 C ATOM 1329 NE ARG D 10 2.512 8.664 17.372 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.880 8.331 18.614 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.850 7.447 18.830 1.00 10.00 N ATOM 1332 NH2 ARG D 10 2.276 8.901 19.652 1.00 10.00 N ATOM 0 H ARG D 10 -1.172 6.340 15.091 1.00 10.00 H new ATOM 0 HA ARG D 10 1.149 5.169 14.088 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.868 7.516 14.856 1.00 10.00 H new ATOM 0 HB3 ARG D 10 0.672 6.964 16.507 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.974 6.075 16.535 1.00 10.00 H new ATOM 0 HG3 ARG D 10 3.180 6.456 14.837 1.00 10.00 H new ATOM 0 HD2 ARG D 10 4.224 8.204 16.239 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.896 8.876 15.314 1.00 10.00 H new ATOM 0 HE ARG D 10 1.724 9.305 17.279 1.00 10.00 H new ATOM 0 HH11 ARG D 10 4.327 7.010 18.041 1.00 10.00 H new ATOM 0 HH12 ARG D 10 4.117 7.206 19.784 1.00 10.00 H new ATOM 0 HH21 ARG D 10 1.537 9.587 19.498 1.00 10.00 H new ATOM 0 HH22 ARG D 10 2.551 8.652 20.602 1.00 10.00 H new ATOM 1346 N LYS D 11 0.513 4.167 17.190 1.00 10.00 N ATOM 1347 CA LYS D 11 0.792 3.083 18.129 1.00 10.00 C ATOM 1348 C LYS D 11 0.512 1.704 17.517 1.00 10.00 C ATOM 1349 O LYS D 11 1.394 0.847 17.515 1.00 10.00 O ATOM 1350 CB LYS D 11 0.002 3.290 19.428 1.00 10.00 C ATOM 1351 CG LYS D 11 0.622 4.407 20.277 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.253 4.658 21.510 1.00 10.00 C ATOM 1353 CE LYS D 11 0.383 5.692 22.446 1.00 10.00 C ATOM 1354 NZ LYS D 11 0.454 7.020 21.814 1.00 10.00 N ATOM 0 H LYS D 11 -0.150 4.859 17.538 1.00 10.00 H new ATOM 0 HA LYS D 11 1.856 3.109 18.363 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.033 3.539 19.193 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.016 2.362 19.999 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.630 4.128 20.584 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.709 5.320 19.688 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.237 5.006 21.195 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.403 3.722 22.048 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -0.197 5.756 23.367 1.00 10.00 H new ATOM 0 HE3 LYS D 11 1.385 5.366 22.723 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 1.450 7.296 21.696 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -0.009 6.987 20.883 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -0.029 7.717 22.416 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.691 1.483 16.977 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.050 0.228 16.319 1.00 10.00 C ATOM 1370 C TYR D 12 -0.064 -0.138 15.200 1.00 10.00 C ATOM 1371 O TYR D 12 0.522 -1.220 15.211 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.484 0.316 15.782 1.00 10.00 C ATOM 1373 CG TYR D 12 -2.872 -0.881 14.933 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.060 -2.135 15.544 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.848 -0.786 13.528 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.228 -3.286 14.756 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.016 -1.939 12.741 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.199 -3.186 13.356 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.339 -4.304 12.593 1.00 10.00 O ATOM 0 H TYR D 12 -1.443 2.172 16.985 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.994 -0.570 17.059 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.176 0.400 16.620 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.589 1.225 15.189 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.075 -2.213 16.621 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.700 0.173 13.055 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.379 -4.246 15.227 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.004 -1.864 11.664 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.288 -4.452 12.400 1.00 10.00 H new ATOM 1389 N LEU D 13 0.118 0.768 14.236 1.00 10.00 N ATOM 1390 CA LEU D 13 1.031 0.607 13.109 1.00 10.00 C ATOM 1391 C LEU D 13 2.436 0.239 13.597 1.00 10.00 C ATOM 1392 O LEU D 13 2.982 -0.794 13.209 1.00 10.00 O ATOM 1393 CB LEU D 13 1.000 1.901 12.276 1.00 10.00 C ATOM 1394 CG LEU D 13 1.823 1.881 10.975 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.304 2.981 10.040 1.00 10.00 C ATOM 1396 CD2 LEU D 13 3.321 2.116 11.210 1.00 10.00 C ATOM 0 H LEU D 13 -0.381 1.657 14.220 1.00 10.00 H new ATOM 0 HA LEU D 13 0.716 -0.219 12.471 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.037 2.124 12.024 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.360 2.720 12.899 1.00 10.00 H new ATOM 0 HG LEU D 13 1.707 0.889 10.538 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.881 2.975 9.115 1.00 10.00 H new ATOM 0 HD12 LEU D 13 0.253 2.800 9.813 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.408 3.951 10.526 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.847 2.090 10.256 1.00 10.00 H new ATOM 0 HD22 LEU D 13 3.467 3.089 11.679 1.00 10.00 H new ATOM 0 HD23 LEU D 13 3.714 1.336 11.862 1.00 10.00 H new ATOM 1408 N GLU D 14 3.019 1.074 14.464 1.00 10.00 N ATOM 1409 CA GLU D 14 4.364 0.866 14.978 1.00 10.00 C ATOM 1410 C GLU D 14 4.480 -0.447 15.766 1.00 10.00 C ATOM 1411 O GLU D 14 5.446 -1.182 15.588 1.00 10.00 O ATOM 1412 CB GLU D 14 4.796 2.086 15.803 1.00 10.00 C ATOM 1413 CG GLU D 14 6.278 2.009 16.213 1.00 10.00 C ATOM 1414 CD GLU D 14 7.224 1.965 15.012 1.00 10.00 C ATOM 1415 OE1 GLU D 14 7.459 3.049 14.439 1.00 10.00 O ATOM 1416 OE2 GLU D 14 7.685 0.850 14.681 1.00 10.00 O ATOM 0 H GLU D 14 2.565 1.913 14.826 1.00 10.00 H new ATOM 0 HA GLU D 14 5.049 0.766 14.136 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.627 2.994 15.224 1.00 10.00 H new ATOM 0 HB3 GLU D 14 4.176 2.158 16.696 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.524 2.872 16.832 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.435 1.121 16.826 1.00 10.00 H new ATOM 1423 N GLN D 15 3.502 -0.767 16.618 1.00 10.00 N ATOM 1424 CA GLN D 15 3.470 -2.042 17.330 1.00 10.00 C ATOM 1425 C GLN D 15 3.460 -3.220 16.344 1.00 10.00 C ATOM 1426 O GLN D 15 4.304 -4.109 16.433 1.00 10.00 O ATOM 1427 CB GLN D 15 2.262 -2.088 18.276 1.00 10.00 C ATOM 1428 CG GLN D 15 2.355 -3.286 19.235 1.00 10.00 C ATOM 1429 CD GLN D 15 1.029 -3.590 19.921 1.00 10.00 C ATOM 1430 OE1 GLN D 15 0.513 -4.698 19.831 1.00 10.00 O ATOM 1431 NE2 GLN D 15 0.454 -2.618 20.614 1.00 10.00 N ATOM 0 H GLN D 15 2.716 -0.152 16.831 1.00 10.00 H new ATOM 0 HA GLN D 15 4.375 -2.131 17.931 1.00 10.00 H new ATOM 0 HB2 GLN D 15 2.210 -1.162 18.849 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.343 -2.155 17.694 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.684 -4.166 18.681 1.00 10.00 H new ATOM 0 HG3 GLN D 15 3.113 -3.084 19.991 1.00 10.00 H new ATOM 0 HE21 GLN D 15 0.900 -1.703 20.676 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -0.435 -2.785 21.085 1.00 10.00 H new ATOM 1440 N LEU D 16 2.513 -3.232 15.398 1.00 10.00 N ATOM 1441 CA LEU D 16 2.413 -4.294 14.400 1.00 10.00 C ATOM 1442 C LEU D 16 3.730 -4.443 13.627 1.00 10.00 C ATOM 1443 O LEU D 16 4.311 -5.526 13.598 1.00 10.00 O ATOM 1444 CB LEU D 16 1.215 -4.047 13.469 1.00 10.00 C ATOM 1445 CG LEU D 16 0.758 -5.355 12.801 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -0.177 -6.145 13.725 1.00 10.00 C ATOM 1447 CD2 LEU D 16 0.028 -5.057 11.488 1.00 10.00 C ATOM 0 H LEU D 16 1.800 -2.508 15.306 1.00 10.00 H new ATOM 0 HA LEU D 16 2.236 -5.241 14.910 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.390 -3.617 14.038 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.488 -3.320 12.704 1.00 10.00 H new ATOM 0 HG LEU D 16 1.647 -5.952 12.599 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -0.486 -7.065 13.229 1.00 10.00 H new ATOM 0 HD12 LEU D 16 0.346 -6.389 14.650 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.057 -5.543 13.953 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.289 -5.993 11.027 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -0.846 -4.438 11.690 1.00 10.00 H new ATOM 0 HD23 LEU D 16 0.699 -4.528 10.811 1.00 10.00 H new ATOM 1459 N HIS D 17 4.239 -3.343 13.065 1.00 10.00 N ATOM 1460 CA HIS D 17 5.566 -3.283 12.458 1.00 10.00 C ATOM 1461 C HIS D 17 6.646 -3.899 13.367 1.00 10.00 C ATOM 1462 O HIS D 17 7.365 -4.797 12.947 1.00 10.00 O ATOM 1463 CB HIS D 17 5.885 -1.824 12.109 1.00 10.00 C ATOM 1464 CG HIS D 17 7.331 -1.593 11.759 1.00 10.00 C ATOM 1465 ND1 HIS D 17 8.224 -0.852 12.500 1.00 10.00 N ATOM 1466 CD2 HIS D 17 8.029 -2.201 10.751 1.00 10.00 C ATOM 1467 CE1 HIS D 17 9.434 -1.000 11.936 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.367 -1.813 10.869 1.00 10.00 N ATOM 0 H HIS D 17 3.732 -2.459 13.020 1.00 10.00 H new ATOM 0 HA HIS D 17 5.565 -3.881 11.546 1.00 10.00 H new ATOM 0 HB2 HIS D 17 5.262 -1.515 11.269 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.618 -1.190 12.954 1.00 10.00 H new ATOM 0 HD1 HIS D 17 8.007 -0.293 13.325 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.620 -2.861 10.000 1.00 10.00 H new ATOM 0 HE1 HIS D 17 10.338 -0.529 12.292 1.00 10.00 H new ATOM 1476 N ARG D 18 6.758 -3.433 14.612 1.00 10.00 N ATOM 1477 CA ARG D 18 7.740 -3.910 15.583 1.00 10.00 C ATOM 1478 C ARG D 18 7.614 -5.414 15.879 1.00 10.00 C ATOM 1479 O ARG D 18 8.622 -6.094 16.073 1.00 10.00 O ATOM 1480 CB ARG D 18 7.650 -3.042 16.847 1.00 10.00 C ATOM 1481 CG ARG D 18 8.684 -3.424 17.916 1.00 10.00 C ATOM 1482 CD ARG D 18 8.095 -4.380 18.960 1.00 10.00 C ATOM 1483 NE ARG D 18 9.133 -4.853 19.887 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.957 -5.883 19.668 1.00 10.00 C ATOM 1485 NH1 ARG D 18 9.993 -6.518 18.501 1.00 10.00 N ATOM 1486 NH2 ARG D 18 10.763 -6.306 20.637 1.00 10.00 N ATOM 0 H ARG D 18 6.155 -2.697 14.980 1.00 10.00 H new ATOM 0 HA ARG D 18 8.736 -3.804 15.153 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.789 -1.996 16.573 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.649 -3.130 17.270 1.00 10.00 H new ATOM 0 HG2 ARG D 18 9.545 -3.892 17.439 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.045 -2.523 18.411 1.00 10.00 H new ATOM 0 HD2 ARG D 18 7.307 -3.874 19.518 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.634 -5.232 18.459 1.00 10.00 H new ATOM 0 HE ARG D 18 9.233 -4.354 20.771 1.00 10.00 H new ATOM 0 HH11 ARG D 18 9.380 -6.223 17.741 1.00 10.00 H new ATOM 0 HH12 ARG D 18 10.633 -7.300 18.366 1.00 10.00 H new ATOM 0 HH21 ARG D 18 10.752 -5.845 21.547 1.00 10.00 H new ATOM 0 HH22 ARG D 18 11.392 -7.092 20.471 1.00 10.00 H new ATOM 1500 N LYS D 19 6.392 -5.953 15.925 1.00 10.00 N ATOM 1501 CA LYS D 19 6.174 -7.395 16.057 1.00 10.00 C ATOM 1502 C LYS D 19 6.604 -8.143 14.783 1.00 10.00 C ATOM 1503 O LYS D 19 7.397 -9.079 14.846 1.00 10.00 O ATOM 1504 CB LYS D 19 4.711 -7.675 16.428 1.00 10.00 C ATOM 1505 CG LYS D 19 4.403 -7.178 17.850 1.00 10.00 C ATOM 1506 CD LYS D 19 2.975 -7.509 18.307 1.00 10.00 C ATOM 1507 CE LYS D 19 1.919 -6.902 17.377 1.00 10.00 C ATOM 1508 NZ LYS D 19 0.583 -6.922 17.999 1.00 10.00 N ATOM 0 H LYS D 19 5.533 -5.406 15.872 1.00 10.00 H new ATOM 0 HA LYS D 19 6.801 -7.773 16.865 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.050 -7.183 15.715 1.00 10.00 H new ATOM 0 HB3 LYS D 19 4.513 -8.745 16.361 1.00 10.00 H new ATOM 0 HG2 LYS D 19 5.113 -7.624 18.546 1.00 10.00 H new ATOM 0 HG3 LYS D 19 4.550 -6.099 17.891 1.00 10.00 H new ATOM 0 HD2 LYS D 19 2.848 -8.591 18.343 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.823 -7.136 19.320 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.193 -5.876 17.132 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.894 -7.457 16.439 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 -0.144 -6.816 17.263 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 0.444 -7.826 18.495 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 0.505 -6.139 18.679 1.00 10.00 H new ATOM 1522 N LEU D 20 6.121 -7.724 13.611 1.00 10.00 N ATOM 1523 CA LEU D 20 6.448 -8.351 12.328 1.00 10.00 C ATOM 1524 C LEU D 20 7.962 -8.325 12.031 1.00 10.00 C ATOM 1525 O LEU D 20 8.550 -9.322 11.610 1.00 10.00 O ATOM 1526 CB LEU D 20 5.639 -7.668 11.221 1.00 10.00 C ATOM 1527 CG LEU D 20 4.116 -7.838 11.386 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.427 -6.840 10.455 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.656 -9.266 11.072 1.00 10.00 C ATOM 0 H LEU D 20 5.485 -6.931 13.525 1.00 10.00 H new ATOM 0 HA LEU D 20 6.176 -9.405 12.375 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.880 -6.605 11.208 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.941 -8.075 10.256 1.00 10.00 H new ATOM 0 HG LEU D 20 3.848 -7.648 12.425 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.346 -6.939 10.552 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.724 -5.826 10.724 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.719 -7.042 9.425 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.576 -9.337 11.202 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.915 -9.513 10.042 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.150 -9.964 11.748 1.00 10.00 H new ATOM 1541 N LYS D 21 8.612 -7.194 12.314 1.00 10.00 N ATOM 1542 CA LYS D 21 10.065 -7.043 12.352 1.00 10.00 C ATOM 1543 C LYS D 21 10.725 -8.133 13.207 1.00 10.00 C ATOM 1544 O LYS D 21 11.792 -8.630 12.857 1.00 10.00 O ATOM 1545 CB LYS D 21 10.376 -5.624 12.857 1.00 10.00 C ATOM 1546 CG LYS D 21 11.861 -5.229 12.934 1.00 10.00 C ATOM 1547 CD LYS D 21 12.660 -5.737 14.150 1.00 10.00 C ATOM 1548 CE LYS D 21 11.946 -5.493 15.485 1.00 10.00 C ATOM 1549 NZ LYS D 21 12.828 -5.788 16.628 1.00 10.00 N ATOM 0 H LYS D 21 8.121 -6.327 12.531 1.00 10.00 H new ATOM 0 HA LYS D 21 10.485 -7.170 11.354 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.868 -4.912 12.207 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.942 -5.514 13.851 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.354 -5.589 12.031 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.923 -4.141 12.919 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.846 -6.805 14.034 1.00 10.00 H new ATOM 0 HD3 LYS D 21 13.632 -5.244 14.170 1.00 10.00 H new ATOM 0 HE2 LYS D 21 11.614 -4.456 15.538 1.00 10.00 H new ATOM 0 HE3 LYS D 21 11.054 -6.117 15.541 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 12.316 -5.613 17.516 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.124 -6.784 16.590 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.667 -5.175 16.586 1.00 10.00 H new ATOM 1563 N ASN D 22 10.096 -8.527 14.320 1.00 10.00 N ATOM 1564 CA ASN D 22 10.586 -9.582 15.203 1.00 10.00 C ATOM 1565 C ASN D 22 10.250 -10.993 14.700 1.00 10.00 C ATOM 1566 O ASN D 22 11.021 -11.919 14.947 1.00 10.00 O ATOM 1567 CB ASN D 22 10.016 -9.376 16.608 1.00 10.00 C ATOM 1568 CG ASN D 22 11.019 -9.767 17.684 1.00 10.00 C ATOM 1569 OD1 ASN D 22 11.299 -8.981 18.583 1.00 10.00 O ATOM 1570 ND2 ASN D 22 11.597 -10.957 17.593 1.00 10.00 N ATOM 0 H ASN D 22 9.218 -8.113 14.634 1.00 10.00 H new ATOM 0 HA ASN D 22 11.673 -9.509 15.219 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.733 -8.331 16.737 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.109 -9.969 16.723 1.00 10.00 H new ATOM 0 HD21 ASN D 22 12.294 -11.239 18.282 1.00 10.00 H new ATOM 0 HD22 ASN D 22 11.344 -11.590 16.834 1.00 10.00 H new