USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 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: A 15 THR OG1 : rot -72:sc= 1.1 USER MOD Set 1.2: B 17 HIS : no HE2:sc= 0.857 K(o=2,f=-2.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= -0.0992 (180deg=-0.108) USER MOD Single : B 11 LYS NZ :NH3+ 175:sc= 0.753 (180deg=0.735) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0.824 K(o=0.82,f=-0.022) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 0.301 X(o=0.3,f=-0.005) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 15 THR OG1 : rot -73:sc= 1.07 USER MOD Single : C 18 LYS NZ :NH3+ -169:sc=-0.00149 (180deg=-0.0876) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0311) USER MOD Single : D 12 TYR OH : rot 154:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.0162 X(o=0.016,f=0) USER MOD Single : D 17 HIS : no HE2:sc= 0.855 K(o=0.85,f=-2.9!) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 0.382 X(o=0.38,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -2.869 6.387 6.639 1.00 10.00 N ATOM 88 CA PRO A 6 -4.086 6.549 5.852 1.00 10.00 C ATOM 89 C PRO A 6 -5.110 5.440 6.159 1.00 10.00 C ATOM 90 O PRO A 6 -4.720 4.280 6.298 1.00 10.00 O ATOM 91 CB PRO A 6 -3.617 6.477 4.397 1.00 10.00 C ATOM 92 CG PRO A 6 -2.411 5.541 4.462 1.00 10.00 C ATOM 93 CD PRO A 6 -1.783 5.878 5.814 1.00 10.00 C ATOM 0 HA PRO A 6 -4.594 7.486 6.078 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -4.395 6.085 3.742 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -3.343 7.460 4.014 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -2.710 4.494 4.406 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -1.718 5.719 3.640 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.329 4.996 6.265 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -0.994 6.622 5.704 1.00 10.00 H new ATOM 101 N PRO A 7 -6.422 5.745 6.201 1.00 10.00 N ATOM 102 CA PRO A 7 -7.487 4.749 6.317 1.00 10.00 C ATOM 103 C PRO A 7 -7.319 3.551 5.374 1.00 10.00 C ATOM 104 O PRO A 7 -7.598 2.418 5.757 1.00 10.00 O ATOM 105 CB PRO A 7 -8.788 5.503 6.028 1.00 10.00 C ATOM 106 CG PRO A 7 -8.467 6.917 6.501 1.00 10.00 C ATOM 107 CD PRO A 7 -6.996 7.080 6.127 1.00 10.00 C ATOM 0 HA PRO A 7 -7.473 4.306 7.313 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.044 5.478 4.969 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.632 5.077 6.570 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.093 7.660 6.007 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -8.625 7.029 7.574 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -6.890 7.497 5.125 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -6.491 7.762 6.811 1.00 10.00 H new ATOM 115 N GLY A 8 -6.835 3.793 4.150 1.00 10.00 N ATOM 116 CA GLY A 8 -6.477 2.746 3.196 1.00 10.00 C ATOM 117 C GLY A 8 -5.607 1.640 3.809 1.00 10.00 C ATOM 118 O GLY A 8 -5.838 0.461 3.556 1.00 10.00 O ATOM 0 H GLY A 8 -6.680 4.736 3.793 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.388 2.302 2.795 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -5.945 3.195 2.357 1.00 10.00 H new ATOM 122 N PHE A 9 -4.627 2.004 4.645 1.00 10.00 N ATOM 123 CA PHE A 9 -3.808 1.037 5.373 1.00 10.00 C ATOM 124 C PHE A 9 -4.636 0.264 6.410 1.00 10.00 C ATOM 125 O PHE A 9 -4.583 -0.964 6.470 1.00 10.00 O ATOM 126 CB PHE A 9 -2.612 1.752 6.013 1.00 10.00 C ATOM 127 CG PHE A 9 -1.890 0.902 7.031 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.183 -0.236 6.606 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.107 1.120 8.404 1.00 10.00 C ATOM 130 CE1 PHE A 9 -0.647 -1.124 7.553 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.566 0.235 9.350 1.00 10.00 C ATOM 132 CZ PHE A 9 -0.852 -0.896 8.925 1.00 10.00 C ATOM 0 H PHE A 9 -4.383 2.976 4.833 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.429 0.297 4.668 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -1.911 2.046 5.232 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -2.958 2.668 6.493 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.052 -0.428 5.551 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -2.690 1.969 8.730 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.077 -1.982 7.227 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.699 0.425 10.405 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.460 -1.592 9.652 1.00 10.00 H new ATOM 142 N THR A 10 -5.431 0.971 7.218 1.00 10.00 N ATOM 143 CA THR A 10 -6.340 0.347 8.177 1.00 10.00 C ATOM 144 C THR A 10 -7.225 -0.708 7.499 1.00 10.00 C ATOM 145 O THR A 10 -7.302 -1.852 7.953 1.00 10.00 O ATOM 146 CB THR A 10 -7.176 1.425 8.881 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.346 2.505 9.254 1.00 10.00 O ATOM 148 CG2 THR A 10 -7.844 0.882 10.145 1.00 10.00 C ATOM 0 H THR A 10 -5.461 1.991 7.224 1.00 10.00 H new ATOM 0 HA THR A 10 -5.751 -0.174 8.932 1.00 10.00 H new ATOM 0 HB THR A 10 -7.946 1.749 8.181 1.00 10.00 H new ATOM 0 HG1 THR A 10 -6.884 3.191 9.701 1.00 10.00 H new ATOM 0 HG21 THR A 10 -8.427 1.673 10.617 1.00 10.00 H new ATOM 0 HG22 THR A 10 -8.502 0.054 9.882 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.080 0.532 10.839 1.00 10.00 H new ATOM 156 N ALA A 11 -7.852 -0.320 6.385 1.00 10.00 N ATOM 157 CA ALA A 11 -8.647 -1.189 5.527 1.00 10.00 C ATOM 158 C ALA A 11 -7.825 -2.356 4.959 1.00 10.00 C ATOM 159 O ALA A 11 -8.257 -3.503 5.042 1.00 10.00 O ATOM 160 CB ALA A 11 -9.285 -0.350 4.417 1.00 10.00 C ATOM 0 H ALA A 11 -7.816 0.642 6.048 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.434 -1.645 6.127 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -9.881 -0.994 3.771 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -9.925 0.413 4.860 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.503 0.130 3.828 1.00 10.00 H new ATOM 166 N LEU A 12 -6.633 -2.088 4.411 1.00 10.00 N ATOM 167 CA LEU A 12 -5.696 -3.125 3.972 1.00 10.00 C ATOM 168 C LEU A 12 -5.510 -4.182 5.066 1.00 10.00 C ATOM 169 O LEU A 12 -5.774 -5.356 4.834 1.00 10.00 O ATOM 170 CB LEU A 12 -4.365 -2.489 3.534 1.00 10.00 C ATOM 171 CG LEU A 12 -3.416 -3.425 2.760 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.410 -2.558 1.995 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.629 -4.374 3.674 1.00 10.00 C ATOM 0 H LEU A 12 -6.291 -1.139 4.260 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.109 -3.639 3.104 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -4.583 -1.622 2.911 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -3.846 -2.123 4.420 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.028 -4.038 2.098 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -1.726 -3.199 1.438 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -2.943 -1.908 1.302 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -1.844 -1.950 2.700 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -1.979 -5.006 3.069 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.024 -3.791 4.369 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.324 -4.999 4.235 1.00 10.00 H new ATOM 185 N ILE A 13 -5.112 -3.777 6.274 1.00 10.00 N ATOM 186 CA ILE A 13 -4.956 -4.705 7.397 1.00 10.00 C ATOM 187 C ILE A 13 -6.250 -5.475 7.706 1.00 10.00 C ATOM 188 O ILE A 13 -6.222 -6.700 7.810 1.00 10.00 O ATOM 189 CB ILE A 13 -4.430 -3.958 8.631 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.004 -3.424 8.418 1.00 10.00 C ATOM 191 CG2 ILE A 13 -4.506 -4.826 9.896 1.00 10.00 C ATOM 192 CD1 ILE A 13 -1.918 -4.502 8.305 1.00 10.00 C ATOM 0 H ILE A 13 -4.891 -2.807 6.500 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.221 -5.456 7.108 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.084 -3.098 8.776 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -2.990 -2.819 7.511 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -2.753 -2.762 9.246 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.125 -4.262 10.747 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.542 -5.108 10.082 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -3.905 -5.725 9.757 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -0.948 -4.027 8.156 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -1.896 -5.094 9.220 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.137 -5.152 7.458 1.00 10.00 H new ATOM 204 N LYS A 14 -7.383 -4.783 7.870 1.00 10.00 N ATOM 205 CA LYS A 14 -8.658 -5.442 8.168 1.00 10.00 C ATOM 206 C LYS A 14 -9.025 -6.495 7.107 1.00 10.00 C ATOM 207 O LYS A 14 -9.280 -7.657 7.426 1.00 10.00 O ATOM 208 CB LYS A 14 -9.761 -4.385 8.314 1.00 10.00 C ATOM 209 CG LYS A 14 -9.592 -3.586 9.614 1.00 10.00 C ATOM 210 CD LYS A 14 -10.497 -2.347 9.650 1.00 10.00 C ATOM 211 CE LYS A 14 -11.983 -2.718 9.637 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.827 -1.523 9.804 1.00 10.00 N ATOM 0 H LYS A 14 -7.442 -3.767 7.801 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.555 -5.979 9.111 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.735 -3.707 7.461 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.737 -4.870 8.306 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.821 -4.227 10.466 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.552 -3.278 9.717 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.277 -1.764 10.544 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.275 -1.711 8.793 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.230 -3.213 8.698 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.191 -3.429 10.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -13.829 -1.801 9.792 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.606 -1.066 10.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.643 -0.857 9.027 1.00 10.00 H new ATOM 226 N THR A 15 -9.032 -6.094 5.834 1.00 10.00 N ATOM 227 CA THR A 15 -9.307 -6.986 4.708 1.00 10.00 C ATOM 228 C THR A 15 -8.300 -8.140 4.628 1.00 10.00 C ATOM 229 O THR A 15 -8.697 -9.290 4.467 1.00 10.00 O ATOM 230 CB THR A 15 -9.360 -6.211 3.385 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.146 -5.537 3.148 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.506 -5.197 3.349 1.00 10.00 C ATOM 0 H THR A 15 -8.845 -5.131 5.554 1.00 10.00 H new ATOM 0 HA THR A 15 -10.289 -7.426 4.883 1.00 10.00 H new ATOM 0 HB THR A 15 -9.532 -6.952 2.604 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.066 -4.781 3.766 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.500 -4.675 2.392 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.456 -5.717 3.473 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.379 -4.476 4.157 1.00 10.00 H new ATOM 240 N LEU A 16 -7.001 -7.859 4.777 1.00 10.00 N ATOM 241 CA LEU A 16 -5.941 -8.866 4.852 1.00 10.00 C ATOM 242 C LEU A 16 -6.225 -9.899 5.948 1.00 10.00 C ATOM 243 O LEU A 16 -6.210 -11.105 5.695 1.00 10.00 O ATOM 244 CB LEU A 16 -4.590 -8.157 5.047 1.00 10.00 C ATOM 245 CG LEU A 16 -3.369 -9.090 4.987 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.165 -8.322 4.428 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.988 -9.628 6.373 1.00 10.00 C ATOM 0 H LEU A 16 -6.651 -6.904 4.850 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.904 -9.427 3.918 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.483 -7.389 4.281 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.596 -7.648 6.011 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.635 -9.930 4.346 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.300 -8.983 4.385 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.396 -7.962 3.425 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.942 -7.474 5.075 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.121 -10.282 6.284 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.747 -8.795 7.033 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.825 -10.190 6.788 1.00 10.00 H new ATOM 259 N ARG A 17 -6.504 -9.430 7.167 1.00 10.00 N ATOM 260 CA ARG A 17 -6.871 -10.299 8.276 1.00 10.00 C ATOM 261 C ARG A 17 -8.097 -11.153 7.925 1.00 10.00 C ATOM 262 O ARG A 17 -8.052 -12.374 8.053 1.00 10.00 O ATOM 263 CB ARG A 17 -7.070 -9.467 9.554 1.00 10.00 C ATOM 264 CG ARG A 17 -7.682 -10.268 10.716 1.00 10.00 C ATOM 265 CD ARG A 17 -6.834 -11.475 11.136 1.00 10.00 C ATOM 266 NE ARG A 17 -7.662 -12.470 11.825 1.00 10.00 N ATOM 267 CZ ARG A 17 -7.907 -12.573 13.131 1.00 10.00 C ATOM 268 NH1 ARG A 17 -7.454 -11.678 14.003 1.00 10.00 N ATOM 269 NH2 ARG A 17 -8.628 -13.610 13.541 1.00 10.00 N ATOM 0 H ARG A 17 -6.481 -8.439 7.407 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.057 -10.999 8.468 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.108 -9.062 9.869 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -7.715 -8.618 9.329 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -7.812 -9.608 11.574 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -8.674 -10.613 10.427 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -6.370 -11.924 10.258 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -6.026 -11.149 11.791 1.00 10.00 H new ATOM 0 HE ARG A 17 -8.106 -13.170 11.231 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -6.902 -10.884 13.679 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -7.659 -11.785 14.997 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -8.972 -14.291 12.864 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -8.838 -13.725 14.533 1.00 10.00 H new ATOM 283 N LYS A 18 -9.185 -10.533 7.456 1.00 10.00 N ATOM 284 CA LYS A 18 -10.381 -11.266 7.041 1.00 10.00 C ATOM 285 C LYS A 18 -10.059 -12.343 5.989 1.00 10.00 C ATOM 286 O LYS A 18 -10.395 -13.509 6.179 1.00 10.00 O ATOM 287 CB LYS A 18 -11.452 -10.276 6.563 1.00 10.00 C ATOM 288 CG LYS A 18 -12.739 -10.952 6.066 1.00 10.00 C ATOM 289 CD LYS A 18 -13.358 -11.902 7.099 1.00 10.00 C ATOM 290 CE LYS A 18 -14.714 -12.397 6.588 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.309 -13.366 7.524 1.00 10.00 N ATOM 0 H LYS A 18 -9.260 -9.521 7.355 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.779 -11.806 7.900 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.700 -9.599 7.381 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -11.038 -9.667 5.759 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.468 -10.185 5.805 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.521 -11.508 5.154 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.693 -12.747 7.276 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.482 -11.389 8.053 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.388 -11.551 6.458 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.591 -12.860 5.609 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -16.227 -13.686 7.155 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.674 -14.183 7.628 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -15.447 -12.914 8.450 1.00 10.00 H new ATOM 305 N CYS A 19 -9.372 -11.969 4.907 1.00 10.00 N ATOM 306 CA CYS A 19 -8.874 -12.882 3.877 1.00 10.00 C ATOM 307 C CYS A 19 -8.126 -14.083 4.481 1.00 10.00 C ATOM 308 O CYS A 19 -8.428 -15.230 4.156 1.00 10.00 O ATOM 309 CB CYS A 19 -7.988 -12.092 2.904 1.00 10.00 C ATOM 310 SG CYS A 19 -7.262 -13.033 1.541 1.00 10.00 S ATOM 0 H CYS A 19 -9.140 -10.994 4.718 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.722 -13.301 3.335 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.581 -11.281 2.482 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.179 -11.633 3.473 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.543 -12.241 0.802 1.00 10.00 H new ATOM 315 N LYS A 20 -7.172 -13.827 5.384 1.00 10.00 N ATOM 316 CA LYS A 20 -6.415 -14.880 6.064 1.00 10.00 C ATOM 317 C LYS A 20 -7.194 -15.620 7.169 1.00 10.00 C ATOM 318 O LYS A 20 -6.769 -16.699 7.580 1.00 10.00 O ATOM 319 CB LYS A 20 -5.106 -14.300 6.616 1.00 10.00 C ATOM 320 CG LYS A 20 -4.143 -13.925 5.481 1.00 10.00 C ATOM 321 CD LYS A 20 -2.783 -13.518 6.063 1.00 10.00 C ATOM 322 CE LYS A 20 -1.720 -13.371 4.967 1.00 10.00 C ATOM 323 NZ LYS A 20 -2.072 -12.320 3.998 1.00 10.00 N ATOM 0 H LYS A 20 -6.904 -12.883 5.663 1.00 10.00 H new ATOM 0 HA LYS A 20 -6.207 -15.639 5.310 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -5.322 -13.418 7.220 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.631 -15.028 7.274 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.020 -14.769 4.803 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -4.558 -13.104 4.896 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.884 -12.575 6.601 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.458 -14.265 6.787 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -0.758 -13.137 5.423 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -1.602 -14.321 4.446 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -1.346 -12.275 3.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.994 -12.538 3.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -2.126 -11.403 4.485 1.00 10.00 H new ATOM 337 N ILE A 21 -8.290 -15.051 7.690 1.00 10.00 N ATOM 338 CA ILE A 21 -9.098 -15.559 8.808 1.00 10.00 C ATOM 339 C ILE A 21 -8.364 -15.447 10.155 1.00 10.00 C ATOM 340 O ILE A 21 -8.897 -14.880 11.109 1.00 10.00 O ATOM 341 CB ILE A 21 -9.644 -16.982 8.552 1.00 10.00 C ATOM 342 CG1 ILE A 21 -10.461 -17.084 7.249 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.479 -17.475 9.743 1.00 10.00 C ATOM 344 CD1 ILE A 21 -11.821 -16.379 7.296 1.00 10.00 C ATOM 0 H ILE A 21 -8.658 -14.174 7.322 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.970 -14.909 8.873 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.773 -17.627 8.436 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -9.875 -16.661 6.433 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -10.619 -18.137 7.016 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.851 -18.479 9.536 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.858 -17.495 10.639 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.321 -16.801 9.900 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -12.327 -16.501 6.339 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -12.430 -16.816 8.087 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -11.674 -15.318 7.496 1.00 10.00 H new ATOM 356 N ILE A 22 -7.146 -15.986 10.241 1.00 10.00 N ATOM 357 CA ILE A 22 -6.256 -15.885 11.397 1.00 10.00 C ATOM 358 C ILE A 22 -5.318 -14.672 11.262 1.00 10.00 C ATOM 359 O ILE A 22 -4.981 -14.089 12.317 1.00 10.00 O ATOM 360 CB ILE A 22 -5.466 -17.200 11.546 1.00 10.00 C ATOM 361 CG1 ILE A 22 -6.375 -18.445 11.569 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.565 -17.176 12.790 1.00 10.00 C ATOM 363 CD1 ILE A 22 -7.425 -18.442 12.687 1.00 10.00 C ATOM 364 OXT ILE A 22 -4.940 -14.357 10.111 1.00 10.00 O ATOM 0 H ILE A 22 -6.738 -16.525 9.477 1.00 10.00 H new ATOM 0 HA ILE A 22 -6.848 -15.730 12.299 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.837 -17.275 10.659 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -6.885 -18.526 10.609 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -5.752 -19.333 11.675 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -4.023 -18.118 12.865 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -3.854 -16.354 12.709 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -5.178 -17.039 13.681 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -8.020 -19.353 12.629 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -6.926 -18.395 13.655 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -8.076 -17.575 12.572 1.00 10.00 H new ATOM 465 N ILE B 7 1.366 9.748 -5.214 1.00 10.00 N ATOM 466 CA ILE B 7 0.220 9.212 -5.942 1.00 10.00 C ATOM 467 C ILE B 7 0.388 7.730 -6.313 1.00 10.00 C ATOM 468 O ILE B 7 -0.547 6.949 -6.161 1.00 10.00 O ATOM 469 CB ILE B 7 -0.144 10.093 -7.155 1.00 10.00 C ATOM 470 CG1 ILE B 7 0.837 10.054 -8.343 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.436 11.537 -6.717 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.257 10.565 -8.072 1.00 10.00 C ATOM 0 HA ILE B 7 -0.629 9.246 -5.260 1.00 10.00 H new ATOM 0 HB ILE B 7 -1.050 9.637 -7.554 1.00 10.00 H new ATOM 0 HG12 ILE B 7 0.906 9.025 -8.696 1.00 10.00 H new ATOM 0 HG13 ILE B 7 0.412 10.642 -9.157 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -0.690 12.138 -7.590 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.271 11.543 -6.017 1.00 10.00 H new ATOM 0 HG23 ILE B 7 0.446 11.956 -6.233 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.852 10.487 -8.982 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.214 11.607 -7.754 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.716 9.965 -7.286 1.00 10.00 H new ATOM 484 N GLU B 8 1.581 7.320 -6.758 1.00 10.00 N ATOM 485 CA GLU B 8 1.873 5.929 -7.086 1.00 10.00 C ATOM 486 C GLU B 8 1.789 5.048 -5.832 1.00 10.00 C ATOM 487 O GLU B 8 1.152 3.999 -5.853 1.00 10.00 O ATOM 488 CB GLU B 8 3.244 5.816 -7.771 1.00 10.00 C ATOM 489 CG GLU B 8 3.375 6.694 -9.030 1.00 10.00 C ATOM 490 CD GLU B 8 2.311 6.402 -10.085 1.00 10.00 C ATOM 491 OE1 GLU B 8 2.084 5.203 -10.357 1.00 10.00 O ATOM 492 OE2 GLU B 8 1.739 7.385 -10.604 1.00 10.00 O ATOM 0 H GLU B 8 2.371 7.950 -6.900 1.00 10.00 H new ATOM 0 HA GLU B 8 1.122 5.568 -7.789 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.021 6.096 -7.060 1.00 10.00 H new ATOM 0 HB3 GLU B 8 3.421 4.775 -8.043 1.00 10.00 H new ATOM 0 HG2 GLU B 8 3.311 7.743 -8.741 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.362 6.543 -9.468 1.00 10.00 H new ATOM 499 N ALA B 9 2.396 5.493 -4.727 1.00 10.00 N ATOM 500 CA ALA B 9 2.305 4.818 -3.436 1.00 10.00 C ATOM 501 C ALA B 9 0.846 4.634 -2.986 1.00 10.00 C ATOM 502 O ALA B 9 0.457 3.547 -2.562 1.00 10.00 O ATOM 503 CB ALA B 9 3.125 5.588 -2.396 1.00 10.00 C ATOM 0 H ALA B 9 2.967 6.338 -4.707 1.00 10.00 H new ATOM 0 HA ALA B 9 2.721 3.816 -3.539 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.056 5.083 -1.432 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.168 5.628 -2.711 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.735 6.602 -2.303 1.00 10.00 H new ATOM 509 N ARG B 10 0.022 5.681 -3.093 1.00 10.00 N ATOM 510 CA ARG B 10 -1.392 5.607 -2.720 1.00 10.00 C ATOM 511 C ARG B 10 -2.220 4.728 -3.675 1.00 10.00 C ATOM 512 O ARG B 10 -3.035 3.927 -3.217 1.00 10.00 O ATOM 513 CB ARG B 10 -1.966 7.017 -2.530 1.00 10.00 C ATOM 514 CG ARG B 10 -1.281 7.656 -1.314 1.00 10.00 C ATOM 515 CD ARG B 10 -1.822 9.042 -0.963 1.00 10.00 C ATOM 516 NE ARG B 10 -0.943 9.647 0.050 1.00 10.00 N ATOM 517 CZ ARG B 10 -0.868 9.256 1.325 1.00 10.00 C ATOM 518 NH1 ARG B 10 -1.833 8.554 1.912 1.00 10.00 N ATOM 519 NH2 ARG B 10 0.197 9.563 2.053 1.00 10.00 N ATOM 0 H ARG B 10 0.314 6.596 -3.438 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.461 5.097 -1.759 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.796 7.620 -3.422 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -3.044 6.971 -2.378 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -1.403 6.999 -0.453 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -0.211 7.732 -1.509 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -1.861 9.669 -1.853 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -2.841 8.965 -0.583 1.00 10.00 H new ATOM 0 HE ARG B 10 -0.347 10.422 -0.243 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.668 8.296 1.386 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -1.738 8.274 2.888 1.00 10.00 H new ATOM 0 HH21 ARG B 10 0.960 10.098 1.639 1.00 10.00 H new ATOM 0 HH22 ARG B 10 0.253 9.264 3.027 1.00 10.00 H new ATOM 533 N LYS B 11 -1.999 4.818 -4.992 1.00 10.00 N ATOM 534 CA LYS B 11 -2.597 3.881 -5.947 1.00 10.00 C ATOM 535 C LYS B 11 -2.212 2.428 -5.625 1.00 10.00 C ATOM 536 O LYS B 11 -3.084 1.567 -5.527 1.00 10.00 O ATOM 537 CB LYS B 11 -2.219 4.260 -7.385 1.00 10.00 C ATOM 538 CG LYS B 11 -2.984 5.508 -7.852 1.00 10.00 C ATOM 539 CD LYS B 11 -2.726 5.835 -9.329 1.00 10.00 C ATOM 540 CE LYS B 11 -1.262 6.209 -9.586 1.00 10.00 C ATOM 541 NZ LYS B 11 -1.070 6.703 -10.960 1.00 10.00 N ATOM 0 H LYS B 11 -1.409 5.532 -5.420 1.00 10.00 H new ATOM 0 HA LYS B 11 -3.681 3.951 -5.856 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.146 4.445 -7.445 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -2.437 3.426 -8.052 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -4.052 5.355 -7.698 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -2.693 6.360 -7.238 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -2.994 4.975 -9.943 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -3.370 6.659 -9.636 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -0.950 6.974 -8.875 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.627 5.339 -9.418 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.089 7.027 -11.078 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -1.265 5.936 -11.635 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -1.720 7.495 -11.138 1.00 10.00 H new ATOM 555 N TYR B 12 -0.919 2.156 -5.415 1.00 10.00 N ATOM 556 CA TYR B 12 -0.427 0.862 -4.944 1.00 10.00 C ATOM 557 C TYR B 12 -1.163 0.406 -3.676 1.00 10.00 C ATOM 558 O TYR B 12 -1.752 -0.671 -3.665 1.00 10.00 O ATOM 559 CB TYR B 12 1.091 0.931 -4.726 1.00 10.00 C ATOM 560 CG TYR B 12 1.654 -0.228 -3.923 1.00 10.00 C ATOM 561 CD1 TYR B 12 1.788 -1.496 -4.515 1.00 10.00 C ATOM 562 CD2 TYR B 12 1.931 -0.064 -2.550 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.208 -2.593 -3.742 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.336 -1.166 -1.776 1.00 10.00 C ATOM 565 CZ TYR B 12 2.466 -2.430 -2.372 1.00 10.00 C ATOM 566 OH TYR B 12 2.836 -3.501 -1.620 1.00 10.00 O ATOM 0 H TYR B 12 -0.178 2.839 -5.570 1.00 10.00 H new ATOM 0 HA TYR B 12 -0.632 0.113 -5.709 1.00 10.00 H new ATOM 0 HB2 TYR B 12 1.586 0.961 -5.697 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.332 1.864 -4.216 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.568 -1.628 -5.564 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.832 0.909 -2.092 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.332 -3.562 -4.203 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.547 -1.040 -0.724 1.00 10.00 H new ATOM 0 HH TYR B 12 2.977 -3.217 -0.693 1.00 10.00 H new ATOM 576 N LEU B 13 -1.147 1.224 -2.617 1.00 10.00 N ATOM 577 CA LEU B 13 -1.861 0.960 -1.367 1.00 10.00 C ATOM 578 C LEU B 13 -3.316 0.549 -1.635 1.00 10.00 C ATOM 579 O LEU B 13 -3.749 -0.524 -1.216 1.00 10.00 O ATOM 580 CB LEU B 13 -1.781 2.211 -0.475 1.00 10.00 C ATOM 581 CG LEU B 13 -2.529 2.089 0.862 1.00 10.00 C ATOM 582 CD1 LEU B 13 -1.775 1.182 1.835 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.679 3.478 1.490 1.00 10.00 C ATOM 0 H LEU B 13 -0.628 2.102 -2.607 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.391 0.124 -0.850 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.733 2.430 -0.272 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.184 3.061 -1.026 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.508 1.653 0.666 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -2.328 1.114 2.772 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -1.674 0.187 1.401 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -0.785 1.597 2.027 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.209 3.393 2.438 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.692 3.907 1.663 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.242 4.123 0.816 1.00 10.00 H new ATOM 595 N GLU B 14 -4.062 1.398 -2.352 1.00 10.00 N ATOM 596 CA GLU B 14 -5.452 1.132 -2.702 1.00 10.00 C ATOM 597 C GLU B 14 -5.619 -0.169 -3.498 1.00 10.00 C ATOM 598 O GLU B 14 -6.514 -0.951 -3.200 1.00 10.00 O ATOM 599 CB GLU B 14 -6.048 2.353 -3.422 1.00 10.00 C ATOM 600 CG GLU B 14 -7.400 2.090 -4.116 1.00 10.00 C ATOM 601 CD GLU B 14 -8.506 1.479 -3.248 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.372 1.489 -2.004 1.00 10.00 O ATOM 603 OE2 GLU B 14 -9.491 1.013 -3.863 1.00 10.00 O ATOM 0 H GLU B 14 -3.713 2.289 -2.704 1.00 10.00 H new ATOM 0 HA GLU B 14 -6.015 0.974 -1.782 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -6.176 3.159 -2.699 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -5.334 2.704 -4.167 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.766 3.034 -4.520 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.225 1.427 -4.963 1.00 10.00 H new ATOM 610 N GLN B 15 -4.777 -0.424 -4.501 1.00 10.00 N ATOM 611 CA GLN B 15 -4.829 -1.662 -5.277 1.00 10.00 C ATOM 612 C GLN B 15 -4.567 -2.899 -4.398 1.00 10.00 C ATOM 613 O GLN B 15 -5.277 -3.901 -4.502 1.00 10.00 O ATOM 614 CB GLN B 15 -3.843 -1.564 -6.450 1.00 10.00 C ATOM 615 CG GLN B 15 -3.775 -2.835 -7.312 1.00 10.00 C ATOM 616 CD GLN B 15 -5.104 -3.216 -7.959 1.00 10.00 C ATOM 617 OE1 GLN B 15 -5.350 -2.924 -9.121 1.00 10.00 O ATOM 618 NE2 GLN B 15 -5.974 -3.904 -7.232 1.00 10.00 N ATOM 0 H GLN B 15 -4.043 0.220 -4.797 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.835 -1.789 -5.678 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -4.127 -0.723 -7.082 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.849 -1.348 -6.059 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -3.029 -2.692 -8.094 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.433 -3.664 -6.693 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -5.756 -4.141 -6.264 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -6.862 -4.197 -7.641 1.00 10.00 H new ATOM 627 N LEU B 16 -3.545 -2.835 -3.541 1.00 10.00 N ATOM 628 CA LEU B 16 -3.194 -3.901 -2.606 1.00 10.00 C ATOM 629 C LEU B 16 -4.380 -4.187 -1.666 1.00 10.00 C ATOM 630 O LEU B 16 -4.887 -5.308 -1.610 1.00 10.00 O ATOM 631 CB LEU B 16 -1.904 -3.494 -1.865 1.00 10.00 C ATOM 632 CG LEU B 16 -0.986 -4.642 -1.414 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.719 -5.692 -0.581 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.297 -5.324 -2.604 1.00 10.00 C ATOM 0 H LEU B 16 -2.928 -2.025 -3.478 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.993 -4.837 -3.128 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.331 -2.833 -2.515 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.183 -2.914 -0.986 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.228 -4.178 -0.783 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.022 -6.478 -0.291 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.131 -5.224 0.313 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -2.528 -6.124 -1.170 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.342 -6.129 -2.242 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -1.052 -5.734 -3.275 1.00 10.00 H new ATOM 0 HD23 LEU B 16 0.308 -4.594 -3.141 1.00 10.00 H new ATOM 646 N HIS B 17 -4.881 -3.145 -0.992 1.00 10.00 N ATOM 647 CA HIS B 17 -6.144 -3.175 -0.253 1.00 10.00 C ATOM 648 C HIS B 17 -7.266 -3.844 -1.065 1.00 10.00 C ATOM 649 O HIS B 17 -7.885 -4.797 -0.603 1.00 10.00 O ATOM 650 CB HIS B 17 -6.509 -1.738 0.152 1.00 10.00 C ATOM 651 CG HIS B 17 -7.963 -1.519 0.484 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.794 -0.611 -0.136 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.724 -2.250 1.357 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.028 -0.791 0.361 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.038 -1.779 1.271 1.00 10.00 N ATOM 0 H HIS B 17 -4.409 -2.242 -0.946 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.023 -3.782 0.644 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.908 -1.457 1.017 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.232 -1.066 -0.661 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.521 0.072 -0.843 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.373 -3.046 1.996 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.896 -0.219 0.069 1.00 10.00 H new ATOM 663 N ARG B 18 -7.526 -3.354 -2.278 1.00 10.00 N ATOM 664 CA ARG B 18 -8.574 -3.855 -3.160 1.00 10.00 C ATOM 665 C ARG B 18 -8.445 -5.361 -3.428 1.00 10.00 C ATOM 666 O ARG B 18 -9.448 -6.069 -3.401 1.00 10.00 O ATOM 667 CB ARG B 18 -8.580 -3.028 -4.451 1.00 10.00 C ATOM 668 CG ARG B 18 -9.790 -3.333 -5.344 1.00 10.00 C ATOM 669 CD ARG B 18 -9.749 -2.464 -6.605 1.00 10.00 C ATOM 670 NE ARG B 18 -9.806 -1.033 -6.265 1.00 10.00 N ATOM 671 CZ ARG B 18 -9.663 -0.020 -7.121 1.00 10.00 C ATOM 672 NH1 ARG B 18 -9.484 -0.234 -8.422 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.698 1.224 -6.655 1.00 10.00 N ATOM 0 H ARG B 18 -6.999 -2.579 -2.681 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.537 -3.737 -2.663 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.578 -1.968 -4.198 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.664 -3.225 -5.008 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.791 -4.387 -5.620 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.713 -3.146 -4.795 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.837 -2.672 -7.164 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -10.586 -2.720 -7.254 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.970 -0.795 -5.287 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -9.454 -1.188 -8.783 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -9.377 0.556 -9.059 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -9.832 1.391 -5.658 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -9.590 2.011 -7.294 1.00 10.00 H new ATOM 687 N LYS B 19 -7.230 -5.875 -3.651 1.00 10.00 N ATOM 688 CA LYS B 19 -7.014 -7.320 -3.761 1.00 10.00 C ATOM 689 C LYS B 19 -7.458 -8.068 -2.492 1.00 10.00 C ATOM 690 O LYS B 19 -8.280 -8.985 -2.562 1.00 10.00 O ATOM 691 CB LYS B 19 -5.548 -7.616 -4.108 1.00 10.00 C ATOM 692 CG LYS B 19 -5.238 -7.226 -5.558 1.00 10.00 C ATOM 693 CD LYS B 19 -3.742 -7.393 -5.843 1.00 10.00 C ATOM 694 CE LYS B 19 -3.455 -7.067 -7.312 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.014 -7.170 -7.604 1.00 10.00 N ATOM 0 H LYS B 19 -6.385 -5.313 -3.758 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.639 -7.690 -4.573 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.892 -7.067 -3.432 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.342 -8.676 -3.961 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.817 -7.847 -6.241 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.536 -6.193 -5.736 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.163 -6.735 -5.195 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.431 -8.414 -5.620 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -4.010 -7.750 -7.955 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -3.805 -6.060 -7.540 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -1.846 -6.945 -8.605 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -1.490 -6.500 -7.005 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -1.688 -8.138 -7.408 1.00 10.00 H new ATOM 709 N LEU B 20 -6.944 -7.678 -1.319 1.00 10.00 N ATOM 710 CA LEU B 20 -7.336 -8.324 -0.062 1.00 10.00 C ATOM 711 C LEU B 20 -8.827 -8.131 0.262 1.00 10.00 C ATOM 712 O LEU B 20 -9.439 -8.988 0.896 1.00 10.00 O ATOM 713 CB LEU B 20 -6.456 -7.867 1.109 1.00 10.00 C ATOM 714 CG LEU B 20 -5.044 -8.482 1.167 1.00 10.00 C ATOM 715 CD1 LEU B 20 -5.029 -10.012 1.090 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.104 -7.897 0.118 1.00 10.00 C ATOM 0 H LEU B 20 -6.263 -6.926 -1.215 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.177 -9.393 -0.206 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.358 -6.782 1.063 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.972 -8.101 2.040 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.675 -8.207 2.155 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -4.000 -10.369 1.137 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -5.594 -10.424 1.926 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -5.482 -10.334 0.152 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.124 -8.367 0.205 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.508 -8.083 -0.877 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.007 -6.823 0.275 1.00 10.00 H new ATOM 728 N LYS B 21 -9.438 -7.033 -0.185 1.00 10.00 N ATOM 729 CA LYS B 21 -10.884 -6.860 -0.131 1.00 10.00 C ATOM 730 C LYS B 21 -11.571 -7.917 -1.012 1.00 10.00 C ATOM 731 O LYS B 21 -12.318 -8.760 -0.518 1.00 10.00 O ATOM 732 CB LYS B 21 -11.235 -5.419 -0.529 1.00 10.00 C ATOM 733 CG LYS B 21 -12.691 -5.074 -0.205 1.00 10.00 C ATOM 734 CD LYS B 21 -12.971 -3.617 -0.582 1.00 10.00 C ATOM 735 CE LYS B 21 -14.422 -3.262 -0.243 1.00 10.00 C ATOM 736 NZ LYS B 21 -14.718 -1.862 -0.593 1.00 10.00 N ATOM 0 H LYS B 21 -8.942 -6.241 -0.594 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.254 -7.014 0.883 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.574 -4.727 -0.007 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.059 -5.284 -1.596 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.362 -5.737 -0.751 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.884 -5.229 0.857 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.291 -2.956 -0.045 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.789 -3.466 -1.646 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.098 -3.926 -0.782 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -14.600 -3.420 0.821 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -15.707 -1.646 -0.354 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.087 -1.230 -0.060 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.570 -1.720 -1.613 1.00 10.00 H new ATOM 750 N ASN B 22 -11.270 -7.914 -2.315 1.00 10.00 N ATOM 751 CA ASN B 22 -11.810 -8.852 -3.300 1.00 10.00 C ATOM 752 C ASN B 22 -11.665 -10.316 -2.854 1.00 10.00 C ATOM 753 O ASN B 22 -12.550 -11.121 -3.134 1.00 10.00 O ATOM 754 CB ASN B 22 -11.138 -8.604 -4.660 1.00 10.00 C ATOM 755 CG ASN B 22 -11.923 -9.113 -5.871 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.888 -8.499 -6.928 1.00 10.00 O ATOM 757 ND2 ASN B 22 -12.644 -10.222 -5.774 1.00 10.00 N ATOM 0 H ASN B 22 -10.625 -7.238 -2.724 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.881 -8.674 -3.393 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.973 -7.533 -4.777 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.157 -9.079 -4.656 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -13.168 -10.562 -6.580 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.674 -10.735 -4.893 1.00 10.00 H new ATOM 914 N PRO C 7 6.784 5.930 6.719 1.00 10.00 N ATOM 915 CA PRO C 7 7.831 4.915 6.620 1.00 10.00 C ATOM 916 C PRO C 7 7.462 3.637 7.382 1.00 10.00 C ATOM 917 O PRO C 7 7.830 2.538 6.970 1.00 10.00 O ATOM 918 CB PRO C 7 9.102 5.578 7.162 1.00 10.00 C ATOM 919 CG PRO C 7 8.568 6.647 8.114 1.00 10.00 C ATOM 920 CD PRO C 7 7.272 7.097 7.440 1.00 10.00 C ATOM 0 HA PRO C 7 7.974 4.586 5.591 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.739 4.861 7.680 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.699 6.015 6.362 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.385 6.244 9.110 1.00 10.00 H new ATOM 0 HG3 PRO C 7 9.271 7.472 8.228 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.544 7.436 8.177 1.00 10.00 H new ATOM 0 HD3 PRO C 7 7.451 7.931 6.762 1.00 10.00 H new ATOM 928 N GLY C 8 6.687 3.769 8.463 1.00 10.00 N ATOM 929 CA GLY C 8 6.087 2.642 9.167 1.00 10.00 C ATOM 930 C GLY C 8 5.351 1.668 8.235 1.00 10.00 C ATOM 931 O GLY C 8 5.442 0.458 8.427 1.00 10.00 O ATOM 0 H GLY C 8 6.459 4.674 8.875 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.866 2.101 9.705 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.388 3.019 9.913 1.00 10.00 H new ATOM 935 N PHE C 9 4.641 2.169 7.213 1.00 10.00 N ATOM 936 CA PHE C 9 3.985 1.298 6.237 1.00 10.00 C ATOM 937 C PHE C 9 5.017 0.493 5.441 1.00 10.00 C ATOM 938 O PHE C 9 4.935 -0.731 5.377 1.00 10.00 O ATOM 939 CB PHE C 9 3.067 2.111 5.316 1.00 10.00 C ATOM 940 CG PHE C 9 2.451 1.309 4.186 1.00 10.00 C ATOM 941 CD1 PHE C 9 1.617 0.215 4.479 1.00 10.00 C ATOM 942 CD2 PHE C 9 2.736 1.630 2.845 1.00 10.00 C ATOM 943 CE1 PHE C 9 1.049 -0.538 3.437 1.00 10.00 C ATOM 944 CE2 PHE C 9 2.167 0.878 1.803 1.00 10.00 C ATOM 945 CZ PHE C 9 1.324 -0.209 2.098 1.00 10.00 C ATOM 0 H PHE C 9 4.509 3.166 7.045 1.00 10.00 H new ATOM 0 HA PHE C 9 3.362 0.584 6.776 1.00 10.00 H new ATOM 0 HB2 PHE C 9 2.267 2.549 5.913 1.00 10.00 H new ATOM 0 HB3 PHE C 9 3.637 2.937 4.891 1.00 10.00 H new ATOM 0 HD1 PHE C 9 1.413 -0.047 5.507 1.00 10.00 H new ATOM 0 HD2 PHE C 9 3.393 2.456 2.617 1.00 10.00 H new ATOM 0 HE1 PHE C 9 0.400 -1.371 3.665 1.00 10.00 H new ATOM 0 HE2 PHE C 9 2.377 1.135 0.775 1.00 10.00 H new ATOM 0 HZ PHE C 9 0.889 -0.789 1.298 1.00 10.00 H new ATOM 955 N THR C 10 6.020 1.165 4.871 1.00 10.00 N ATOM 956 CA THR C 10 7.130 0.521 4.172 1.00 10.00 C ATOM 957 C THR C 10 7.794 -0.558 5.041 1.00 10.00 C ATOM 958 O THR C 10 7.971 -1.698 4.611 1.00 10.00 O ATOM 959 CB THR C 10 8.148 1.590 3.739 1.00 10.00 C ATOM 960 OG1 THR C 10 7.463 2.692 3.179 1.00 10.00 O ATOM 961 CG2 THR C 10 9.118 1.043 2.692 1.00 10.00 C ATOM 0 H THR C 10 6.083 2.183 4.883 1.00 10.00 H new ATOM 0 HA THR C 10 6.742 0.018 3.286 1.00 10.00 H new ATOM 0 HB THR C 10 8.713 1.891 4.621 1.00 10.00 H new ATOM 0 HG1 THR C 10 8.110 3.374 2.904 1.00 10.00 H new ATOM 0 HG21 THR C 10 9.824 1.823 2.407 1.00 10.00 H new ATOM 0 HG22 THR C 10 9.662 0.195 3.108 1.00 10.00 H new ATOM 0 HG23 THR C 10 8.560 0.720 1.813 1.00 10.00 H new ATOM 969 N ALA C 11 8.136 -0.202 6.284 1.00 10.00 N ATOM 970 CA ALA C 11 8.700 -1.125 7.265 1.00 10.00 C ATOM 971 C ALA C 11 7.777 -2.325 7.525 1.00 10.00 C ATOM 972 O ALA C 11 8.218 -3.473 7.480 1.00 10.00 O ATOM 973 CB ALA C 11 9.008 -0.361 8.557 1.00 10.00 C ATOM 0 H ALA C 11 8.026 0.748 6.638 1.00 10.00 H new ATOM 0 HA ALA C 11 9.626 -1.537 6.864 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.429 -1.046 9.293 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.725 0.433 8.348 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.089 0.074 8.950 1.00 10.00 H new ATOM 979 N LEU C 12 6.487 -2.077 7.771 1.00 10.00 N ATOM 980 CA LEU C 12 5.491 -3.134 7.924 1.00 10.00 C ATOM 981 C LEU C 12 5.460 -4.055 6.701 1.00 10.00 C ATOM 982 O LEU C 12 5.598 -5.262 6.849 1.00 10.00 O ATOM 983 CB LEU C 12 4.121 -2.522 8.234 1.00 10.00 C ATOM 984 CG LEU C 12 3.062 -3.572 8.616 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.027 -2.877 9.499 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.334 -4.163 7.399 1.00 10.00 C ATOM 0 H LEU C 12 6.107 -1.136 7.869 1.00 10.00 H new ATOM 0 HA LEU C 12 5.771 -3.763 8.769 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.226 -1.807 9.050 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.774 -1.964 7.364 1.00 10.00 H new ATOM 0 HG LEU C 12 3.569 -4.394 9.121 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.258 -3.592 9.790 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.515 -2.485 10.392 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.569 -2.057 8.946 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.601 -4.896 7.734 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.827 -3.366 6.856 1.00 10.00 H new ATOM 0 HD23 LEU C 12 3.057 -4.647 6.742 1.00 10.00 H new ATOM 998 N ILE C 13 5.308 -3.512 5.490 1.00 10.00 N ATOM 999 CA ILE C 13 5.324 -4.298 4.254 1.00 10.00 C ATOM 1000 C ILE C 13 6.599 -5.149 4.148 1.00 10.00 C ATOM 1001 O ILE C 13 6.519 -6.355 3.911 1.00 10.00 O ATOM 1002 CB ILE C 13 5.125 -3.374 3.035 1.00 10.00 C ATOM 1003 CG1 ILE C 13 3.705 -2.778 2.983 1.00 10.00 C ATOM 1004 CG2 ILE C 13 5.452 -4.084 1.713 1.00 10.00 C ATOM 1005 CD1 ILE C 13 2.598 -3.781 2.624 1.00 10.00 C ATOM 0 H ILE C 13 5.170 -2.513 5.339 1.00 10.00 H new ATOM 0 HA ILE C 13 4.491 -5.001 4.273 1.00 10.00 H new ATOM 0 HB ILE C 13 5.831 -2.553 3.162 1.00 10.00 H new ATOM 0 HG12 ILE C 13 3.476 -2.337 3.953 1.00 10.00 H new ATOM 0 HG13 ILE C 13 3.693 -1.968 2.254 1.00 10.00 H new ATOM 0 HG21 ILE C 13 5.298 -3.395 0.882 1.00 10.00 H new ATOM 0 HG22 ILE C 13 6.491 -4.412 1.724 1.00 10.00 H new ATOM 0 HG23 ILE C 13 4.799 -4.949 1.593 1.00 10.00 H new ATOM 0 HD11 ILE C 13 1.635 -3.271 2.612 1.00 10.00 H new ATOM 0 HD12 ILE C 13 2.797 -4.205 1.640 1.00 10.00 H new ATOM 0 HD13 ILE C 13 2.576 -4.580 3.366 1.00 10.00 H new ATOM 1017 N LYS C 14 7.777 -4.549 4.342 1.00 10.00 N ATOM 1018 CA LYS C 14 9.041 -5.282 4.301 1.00 10.00 C ATOM 1019 C LYS C 14 9.090 -6.415 5.341 1.00 10.00 C ATOM 1020 O LYS C 14 9.355 -7.567 5.001 1.00 10.00 O ATOM 1021 CB LYS C 14 10.208 -4.296 4.463 1.00 10.00 C ATOM 1022 CG LYS C 14 11.588 -4.973 4.493 1.00 10.00 C ATOM 1023 CD LYS C 14 11.845 -5.839 3.252 1.00 10.00 C ATOM 1024 CE LYS C 14 13.278 -6.376 3.272 1.00 10.00 C ATOM 1025 NZ LYS C 14 13.527 -7.255 2.114 1.00 10.00 N ATOM 0 H LYS C 14 7.879 -3.552 4.530 1.00 10.00 H new ATOM 0 HA LYS C 14 9.129 -5.770 3.330 1.00 10.00 H new ATOM 0 HB2 LYS C 14 10.183 -3.579 3.643 1.00 10.00 H new ATOM 0 HB3 LYS C 14 10.070 -3.731 5.385 1.00 10.00 H new ATOM 0 HG2 LYS C 14 12.362 -4.209 4.566 1.00 10.00 H new ATOM 0 HG3 LYS C 14 11.666 -5.592 5.387 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.138 -6.668 3.225 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.681 -5.251 2.349 1.00 10.00 H new ATOM 0 HE2 LYS C 14 13.982 -5.544 3.260 1.00 10.00 H new ATOM 0 HE3 LYS C 14 13.451 -6.927 4.196 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 14.505 -7.607 2.149 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 12.868 -8.059 2.141 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.383 -6.719 1.234 1.00 10.00 H new ATOM 1039 N THR C 15 8.833 -6.102 6.612 1.00 10.00 N ATOM 1040 CA THR C 15 8.838 -7.095 7.691 1.00 10.00 C ATOM 1041 C THR C 15 7.772 -8.182 7.492 1.00 10.00 C ATOM 1042 O THR C 15 8.035 -9.352 7.752 1.00 10.00 O ATOM 1043 CB THR C 15 8.706 -6.432 9.067 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.555 -5.623 9.130 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.928 -5.573 9.404 1.00 10.00 C ATOM 0 H THR C 15 8.616 -5.155 6.924 1.00 10.00 H new ATOM 0 HA THR C 15 9.807 -7.592 7.651 1.00 10.00 H new ATOM 0 HB THR C 15 8.629 -7.240 9.794 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.697 -4.810 8.602 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.795 -5.121 10.387 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.821 -6.198 9.410 1.00 10.00 H new ATOM 0 HG23 THR C 15 10.039 -4.788 8.656 1.00 10.00 H new ATOM 1053 N LEU C 16 6.587 -7.831 6.988 1.00 10.00 N ATOM 1054 CA LEU C 16 5.555 -8.782 6.585 1.00 10.00 C ATOM 1055 C LEU C 16 6.080 -9.713 5.487 1.00 10.00 C ATOM 1056 O LEU C 16 6.034 -10.935 5.628 1.00 10.00 O ATOM 1057 CB LEU C 16 4.290 -8.016 6.161 1.00 10.00 C ATOM 1058 CG LEU C 16 3.050 -8.906 5.957 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.786 -8.081 6.229 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.958 -9.466 4.532 1.00 10.00 C ATOM 0 H LEU C 16 6.315 -6.858 6.847 1.00 10.00 H new ATOM 0 HA LEU C 16 5.288 -9.419 7.428 1.00 10.00 H new ATOM 0 HB2 LEU C 16 4.063 -7.265 6.918 1.00 10.00 H new ATOM 0 HB3 LEU C 16 4.496 -7.482 5.233 1.00 10.00 H new ATOM 0 HG LEU C 16 3.138 -9.744 6.648 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.905 -8.707 6.086 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.806 -7.712 7.254 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.747 -7.237 5.540 1.00 10.00 H new ATOM 0 HD21 LEU C 16 2.066 -10.086 4.442 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.901 -8.642 3.820 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.842 -10.068 4.320 1.00 10.00 H new ATOM 1072 N ARG C 17 6.610 -9.144 4.402 1.00 10.00 N ATOM 1073 CA ARG C 17 7.235 -9.905 3.324 1.00 10.00 C ATOM 1074 C ARG C 17 8.332 -10.843 3.850 1.00 10.00 C ATOM 1075 O ARG C 17 8.412 -11.996 3.430 1.00 10.00 O ATOM 1076 CB ARG C 17 7.738 -8.935 2.244 1.00 10.00 C ATOM 1077 CG ARG C 17 8.415 -9.661 1.073 1.00 10.00 C ATOM 1078 CD ARG C 17 9.940 -9.708 1.235 1.00 10.00 C ATOM 1079 NE ARG C 17 10.541 -10.594 0.229 1.00 10.00 N ATOM 1080 CZ ARG C 17 10.625 -11.927 0.320 1.00 10.00 C ATOM 1081 NH1 ARG C 17 10.131 -12.594 1.358 1.00 10.00 N ATOM 1082 NH2 ARG C 17 11.209 -12.620 -0.651 1.00 10.00 N ATOM 0 H ARG C 17 6.616 -8.136 4.248 1.00 10.00 H new ATOM 0 HA ARG C 17 6.493 -10.560 2.867 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.900 -8.348 1.868 1.00 10.00 H new ATOM 0 HB3 ARG C 17 8.444 -8.234 2.690 1.00 10.00 H new ATOM 0 HG2 ARG C 17 8.026 -10.677 1.002 1.00 10.00 H new ATOM 0 HG3 ARG C 17 8.164 -9.157 0.140 1.00 10.00 H new ATOM 0 HD2 ARG C 17 10.353 -8.704 1.136 1.00 10.00 H new ATOM 0 HD3 ARG C 17 10.194 -10.060 2.235 1.00 10.00 H new ATOM 0 HE ARG C 17 10.926 -10.157 -0.608 1.00 10.00 H new ATOM 0 HH11 ARG C 17 9.671 -12.090 2.116 1.00 10.00 H new ATOM 0 HH12 ARG C 17 10.212 -13.610 1.396 1.00 10.00 H new ATOM 0 HH21 ARG C 17 11.592 -12.136 -1.463 1.00 10.00 H new ATOM 0 HH22 ARG C 17 11.274 -13.636 -0.584 1.00 10.00 H new ATOM 1096 N LYS C 18 9.175 -10.371 4.774 1.00 10.00 N ATOM 1097 CA LYS C 18 10.153 -11.220 5.450 1.00 10.00 C ATOM 1098 C LYS C 18 9.457 -12.368 6.202 1.00 10.00 C ATOM 1099 O LYS C 18 9.705 -13.533 5.905 1.00 10.00 O ATOM 1100 CB LYS C 18 11.036 -10.362 6.372 1.00 10.00 C ATOM 1101 CG LYS C 18 12.181 -11.155 7.022 1.00 10.00 C ATOM 1102 CD LYS C 18 13.341 -11.397 6.045 1.00 10.00 C ATOM 1103 CE LYS C 18 14.362 -12.387 6.620 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.860 -11.968 7.943 1.00 10.00 N ATOM 0 H LYS C 18 9.197 -9.395 5.071 1.00 10.00 H new ATOM 0 HA LYS C 18 10.802 -11.686 4.709 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.455 -9.536 5.798 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.416 -9.924 7.154 1.00 10.00 H new ATOM 0 HG2 LYS C 18 12.548 -10.613 7.893 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.802 -12.113 7.379 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.950 -11.781 5.103 1.00 10.00 H new ATOM 0 HD3 LYS C 18 13.835 -10.451 5.823 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.904 -13.373 6.702 1.00 10.00 H new ATOM 0 HE3 LYS C 18 15.201 -12.482 5.931 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.675 -12.557 8.210 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 15.151 -10.970 7.904 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.105 -12.081 8.650 1.00 10.00 H new ATOM 1118 N CYS C 19 8.557 -12.041 7.137 1.00 10.00 N ATOM 1119 CA CYS C 19 7.779 -12.988 7.939 1.00 10.00 C ATOM 1120 C CYS C 19 7.113 -14.089 7.097 1.00 10.00 C ATOM 1121 O CYS C 19 7.143 -15.262 7.460 1.00 10.00 O ATOM 1122 CB CYS C 19 6.735 -12.211 8.748 1.00 10.00 C ATOM 1123 SG CYS C 19 5.759 -13.209 9.897 1.00 10.00 S ATOM 0 H CYS C 19 8.343 -11.070 7.363 1.00 10.00 H new ATOM 0 HA CYS C 19 8.467 -13.504 8.608 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.243 -11.429 9.312 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.056 -11.715 8.055 1.00 10.00 H new ATOM 0 HG CYS C 19 4.914 -12.446 10.524 1.00 10.00 H new ATOM 1278 N ILE D 7 -2.845 9.302 16.886 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.209 8.456 17.895 1.00 10.00 C ATOM 1280 C ILE D 7 -2.737 7.014 17.857 1.00 10.00 C ATOM 1281 O ILE D 7 -1.959 6.069 17.952 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.282 9.103 19.293 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.720 9.208 19.829 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.592 10.476 19.263 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.793 9.832 21.225 1.00 10.00 C ATOM 0 HA ILE D 7 -1.150 8.380 17.649 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.754 8.450 19.988 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.317 9.804 19.139 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.165 8.213 19.858 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.645 10.931 20.252 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.548 10.352 18.976 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.093 11.119 18.540 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.833 9.879 21.549 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -3.222 9.223 21.926 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.376 10.839 21.196 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.048 6.834 17.669 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.679 5.524 17.555 1.00 10.00 C ATOM 1299 C GLU D 8 -4.112 4.758 16.350 1.00 10.00 C ATOM 1300 O GLU D 8 -3.625 3.634 16.477 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.206 5.682 17.438 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.872 6.347 18.659 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.716 7.866 18.748 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.277 8.473 17.745 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -7.032 8.398 19.834 1.00 10.00 O ATOM 0 H GLU D 8 -4.707 7.609 17.591 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.461 4.947 18.454 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.431 6.273 16.550 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.651 4.698 17.288 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -7.936 6.109 18.646 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -6.457 5.903 19.564 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.167 5.382 15.171 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.671 4.796 13.933 1.00 10.00 C ATOM 1314 C ALA D 9 -2.162 4.502 14.001 1.00 10.00 C ATOM 1315 O ALA D 9 -1.715 3.439 13.573 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.042 5.718 12.771 1.00 10.00 C ATOM 0 H ALA D 9 -4.561 6.315 15.052 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.144 3.827 13.773 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.677 5.291 11.837 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.126 5.824 12.722 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.589 6.697 12.924 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.376 5.417 14.579 1.00 10.00 N ATOM 1323 CA ARG D 10 0.042 5.196 14.854 1.00 10.00 C ATOM 1324 C ARG D 10 0.275 3.999 15.783 1.00 10.00 C ATOM 1325 O ARG D 10 1.088 3.137 15.458 1.00 10.00 O ATOM 1326 CB ARG D 10 0.697 6.465 15.417 1.00 10.00 C ATOM 1327 CG ARG D 10 0.965 7.529 14.341 1.00 10.00 C ATOM 1328 CD ARG D 10 2.072 7.147 13.346 1.00 10.00 C ATOM 1329 NE ARG D 10 3.345 6.838 14.023 1.00 10.00 N ATOM 1330 CZ ARG D 10 3.925 5.638 14.164 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.354 4.519 13.725 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.108 5.557 14.764 1.00 10.00 N ATOM 0 H ARG D 10 -1.711 6.336 14.870 1.00 10.00 H new ATOM 0 HA ARG D 10 0.517 4.957 13.903 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.053 6.889 16.187 1.00 10.00 H new ATOM 0 HB3 ARG D 10 1.638 6.199 15.899 1.00 10.00 H new ATOM 0 HG2 ARG D 10 0.043 7.714 13.790 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.237 8.465 14.830 1.00 10.00 H new ATOM 0 HD2 ARG D 10 1.753 6.283 12.764 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.225 7.966 12.643 1.00 10.00 H new ATOM 0 HE ARG D 10 3.842 7.630 14.431 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.445 4.557 13.264 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.825 3.623 13.850 1.00 10.00 H new ATOM 0 HH21 ARG D 10 5.563 6.402 15.110 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.561 4.650 14.878 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.424 3.912 16.920 1.00 10.00 N ATOM 1347 CA LYS D 11 -0.340 2.746 17.803 1.00 10.00 C ATOM 1348 C LYS D 11 -0.685 1.448 17.061 1.00 10.00 C ATOM 1349 O LYS D 11 0.044 0.460 17.156 1.00 10.00 O ATOM 1350 CB LYS D 11 -1.253 2.933 19.022 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.664 3.928 20.029 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.669 4.148 21.168 1.00 10.00 C ATOM 1353 CE LYS D 11 -1.100 5.064 22.256 1.00 10.00 C ATOM 1354 NZ LYS D 11 -0.882 6.433 21.756 1.00 10.00 N ATOM 0 H LYS D 11 -1.057 4.640 17.251 1.00 10.00 H new ATOM 0 HA LYS D 11 0.691 2.662 18.146 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -2.231 3.285 18.693 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -1.408 1.971 19.510 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.277 3.547 20.427 1.00 10.00 H new ATOM 0 HG3 LYS D 11 -0.442 4.874 19.536 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -2.584 4.584 20.767 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -1.939 3.187 21.606 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -1.784 5.091 23.104 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -0.157 4.655 22.620 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 0.130 6.666 21.813 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.197 6.495 20.767 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -1.425 7.105 22.335 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.802 1.426 16.329 1.00 10.00 N ATOM 1369 CA TYR D 12 -2.206 0.294 15.495 1.00 10.00 C ATOM 1370 C TYR D 12 -1.080 -0.120 14.526 1.00 10.00 C ATOM 1371 O TYR D 12 -0.574 -1.243 14.591 1.00 10.00 O ATOM 1372 CB TYR D 12 -3.510 0.681 14.785 1.00 10.00 C ATOM 1373 CG TYR D 12 -4.077 -0.328 13.804 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -5.024 -1.277 14.234 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.825 -0.174 12.430 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -5.749 -2.023 13.289 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.516 -0.956 11.489 1.00 10.00 C ATOM 1378 CZ TYR D 12 -5.524 -1.835 11.917 1.00 10.00 C ATOM 1379 OH TYR D 12 -6.356 -2.425 11.015 1.00 10.00 O ATOM 0 H TYR D 12 -2.459 2.205 16.300 1.00 10.00 H new ATOM 0 HA TYR D 12 -2.389 -0.591 16.104 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -4.266 0.878 15.545 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -3.342 1.617 14.252 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -5.193 -1.432 15.289 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.096 0.549 12.095 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -6.482 -2.744 13.620 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.273 -0.881 10.439 1.00 10.00 H new ATOM 0 HH TYR D 12 -6.353 -1.910 10.181 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.648 0.808 13.663 1.00 10.00 N ATOM 1390 CA LEU D 13 0.466 0.612 12.736 1.00 10.00 C ATOM 1391 C LEU D 13 1.720 0.078 13.445 1.00 10.00 C ATOM 1392 O LEU D 13 2.267 -0.947 13.049 1.00 10.00 O ATOM 1393 CB LEU D 13 0.745 1.932 11.997 1.00 10.00 C ATOM 1394 CG LEU D 13 2.004 1.924 11.106 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.964 0.830 10.037 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.131 3.276 10.399 1.00 10.00 C ATOM 0 H LEU D 13 -1.073 1.732 13.591 1.00 10.00 H new ATOM 0 HA LEU D 13 0.187 -0.150 12.009 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.119 2.175 11.378 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.844 2.730 12.733 1.00 10.00 H new ATOM 0 HG LEU D 13 2.855 1.730 11.759 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.875 0.871 9.440 1.00 10.00 H new ATOM 0 HD12 LEU D 13 1.889 -0.146 10.517 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.099 0.984 9.391 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.020 3.275 9.768 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.249 3.449 9.783 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.215 4.069 11.142 1.00 10.00 H new ATOM 1408 N GLU D 14 2.180 0.769 14.492 1.00 10.00 N ATOM 1409 CA GLU D 14 3.391 0.411 15.217 1.00 10.00 C ATOM 1410 C GLU D 14 3.306 -0.982 15.851 1.00 10.00 C ATOM 1411 O GLU D 14 4.252 -1.751 15.732 1.00 10.00 O ATOM 1412 CB GLU D 14 3.746 1.503 16.236 1.00 10.00 C ATOM 1413 CG GLU D 14 4.920 1.135 17.168 1.00 10.00 C ATOM 1414 CD GLU D 14 6.224 0.699 16.487 1.00 10.00 C ATOM 1415 OE1 GLU D 14 6.387 0.959 15.273 1.00 10.00 O ATOM 1416 OE2 GLU D 14 7.058 0.121 17.217 1.00 10.00 O ATOM 0 H GLU D 14 1.714 1.599 14.859 1.00 10.00 H new ATOM 0 HA GLU D 14 4.207 0.351 14.496 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.995 2.419 15.700 1.00 10.00 H new ATOM 0 HB3 GLU D 14 2.867 1.718 16.844 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.137 1.996 17.800 1.00 10.00 H new ATOM 0 HG3 GLU D 14 4.593 0.330 17.827 1.00 10.00 H new ATOM 1423 N GLN D 15 2.197 -1.327 16.514 1.00 10.00 N ATOM 1424 CA GLN D 15 2.016 -2.672 17.060 1.00 10.00 C ATOM 1425 C GLN D 15 2.125 -3.743 15.964 1.00 10.00 C ATOM 1426 O GLN D 15 2.871 -4.711 16.110 1.00 10.00 O ATOM 1427 CB GLN D 15 0.671 -2.759 17.788 1.00 10.00 C ATOM 1428 CG GLN D 15 0.723 -2.005 19.125 1.00 10.00 C ATOM 1429 CD GLN D 15 -0.665 -1.816 19.716 1.00 10.00 C ATOM 1430 OE1 GLN D 15 -1.009 -2.379 20.747 1.00 10.00 O ATOM 1431 NE2 GLN D 15 -1.483 -1.011 19.058 1.00 10.00 N ATOM 0 H GLN D 15 1.415 -0.694 16.684 1.00 10.00 H new ATOM 0 HA GLN D 15 2.815 -2.866 17.775 1.00 10.00 H new ATOM 0 HB2 GLN D 15 -0.115 -2.340 17.160 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.415 -3.804 17.965 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.347 -2.555 19.829 1.00 10.00 H new ATOM 0 HG3 GLN D 15 1.191 -1.032 18.977 1.00 10.00 H new ATOM 0 HE21 GLN D 15 -1.170 -0.555 18.201 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -2.427 -0.846 19.408 1.00 10.00 H new ATOM 1440 N LEU D 16 1.407 -3.564 14.851 1.00 10.00 N ATOM 1441 CA LEU D 16 1.476 -4.488 13.719 1.00 10.00 C ATOM 1442 C LEU D 16 2.910 -4.599 13.170 1.00 10.00 C ATOM 1443 O LEU D 16 3.476 -5.689 13.116 1.00 10.00 O ATOM 1444 CB LEU D 16 0.486 -4.042 12.637 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.978 -4.120 13.103 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.838 -3.242 12.194 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -1.505 -5.560 13.063 1.00 10.00 C ATOM 0 H LEU D 16 0.768 -2.782 14.711 1.00 10.00 H new ATOM 0 HA LEU D 16 1.196 -5.486 14.058 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.715 -3.018 12.341 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.615 -4.666 11.753 1.00 10.00 H new ATOM 0 HG LEU D 16 -1.029 -3.770 14.134 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.878 -3.292 12.518 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -1.490 -2.211 12.249 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.761 -3.597 11.166 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -2.542 -5.577 13.399 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.447 -5.940 12.043 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.901 -6.187 13.719 1.00 10.00 H new ATOM 1459 N HIS D 17 3.513 -3.465 12.803 1.00 10.00 N ATOM 1460 CA HIS D 17 4.915 -3.365 12.399 1.00 10.00 C ATOM 1461 C HIS D 17 5.837 -4.129 13.363 1.00 10.00 C ATOM 1462 O HIS D 17 6.605 -4.989 12.943 1.00 10.00 O ATOM 1463 CB HIS D 17 5.290 -1.878 12.314 1.00 10.00 C ATOM 1464 CG HIS D 17 6.771 -1.596 12.315 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.424 -0.783 13.216 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.716 -2.167 11.504 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.739 -0.862 12.946 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.966 -1.693 11.915 1.00 10.00 N ATOM 0 H HIS D 17 3.026 -2.569 12.779 1.00 10.00 H new ATOM 0 HA HIS D 17 5.047 -3.829 11.422 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.856 -1.460 11.406 1.00 10.00 H new ATOM 0 HB3 HIS D 17 4.835 -1.355 13.155 1.00 10.00 H new ATOM 0 HD1 HIS D 17 6.990 -0.225 13.951 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.530 -2.857 10.695 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.509 -0.329 13.485 1.00 10.00 H new ATOM 1476 N ARG D 18 5.747 -3.829 14.658 1.00 10.00 N ATOM 1477 CA ARG D 18 6.521 -4.480 15.708 1.00 10.00 C ATOM 1478 C ARG D 18 6.309 -5.999 15.713 1.00 10.00 C ATOM 1479 O ARG D 18 7.277 -6.749 15.773 1.00 10.00 O ATOM 1480 CB ARG D 18 6.173 -3.835 17.054 1.00 10.00 C ATOM 1481 CG ARG D 18 7.115 -4.291 18.175 1.00 10.00 C ATOM 1482 CD ARG D 18 6.776 -3.578 19.488 1.00 10.00 C ATOM 1483 NE ARG D 18 6.931 -2.121 19.357 1.00 10.00 N ATOM 1484 CZ ARG D 18 6.707 -1.217 20.313 1.00 10.00 C ATOM 1485 NH1 ARG D 18 6.345 -1.587 21.538 1.00 10.00 N ATOM 1486 NH2 ARG D 18 6.852 0.070 20.023 1.00 10.00 N ATOM 0 H ARG D 18 5.118 -3.109 15.012 1.00 10.00 H new ATOM 0 HA ARG D 18 7.584 -4.334 15.517 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.222 -2.750 16.959 1.00 10.00 H new ATOM 0 HB3 ARG D 18 5.146 -4.085 17.320 1.00 10.00 H new ATOM 0 HG2 ARG D 18 7.034 -5.370 18.309 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.148 -4.081 17.897 1.00 10.00 H new ATOM 0 HD2 ARG D 18 5.752 -3.813 19.779 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.425 -3.946 20.283 1.00 10.00 H new ATOM 0 HE ARG D 18 7.238 -1.769 18.451 1.00 10.00 H new ATOM 0 HH11 ARG D 18 6.234 -2.576 21.760 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.178 -0.881 22.255 1.00 10.00 H new ATOM 0 HH21 ARG D 18 7.130 0.353 19.083 1.00 10.00 H new ATOM 0 HH22 ARG D 18 6.685 0.776 20.740 1.00 10.00 H new ATOM 1500 N LYS D 19 5.061 -6.468 15.624 1.00 10.00 N ATOM 1501 CA LYS D 19 4.756 -7.894 15.522 1.00 10.00 C ATOM 1502 C LYS D 19 5.441 -8.539 14.303 1.00 10.00 C ATOM 1503 O LYS D 19 6.173 -9.521 14.442 1.00 10.00 O ATOM 1504 CB LYS D 19 3.233 -8.084 15.507 1.00 10.00 C ATOM 1505 CG LYS D 19 2.835 -9.564 15.610 1.00 10.00 C ATOM 1506 CD LYS D 19 1.324 -9.762 15.428 1.00 10.00 C ATOM 1507 CE LYS D 19 0.509 -9.079 16.532 1.00 10.00 C ATOM 1508 NZ LYS D 19 -0.922 -9.411 16.414 1.00 10.00 N ATOM 0 H LYS D 19 4.236 -5.869 15.621 1.00 10.00 H new ATOM 0 HA LYS D 19 5.160 -8.410 16.393 1.00 10.00 H new ATOM 0 HB2 LYS D 19 2.791 -7.531 16.336 1.00 10.00 H new ATOM 0 HB3 LYS D 19 2.824 -7.662 14.589 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.370 -10.138 14.854 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.138 -9.955 16.581 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.022 -9.365 14.459 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.098 -10.828 15.420 1.00 10.00 H new ATOM 0 HE2 LYS D 19 0.879 -9.391 17.508 1.00 10.00 H new ATOM 0 HE3 LYS D 19 0.642 -7.999 16.472 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 -1.452 -8.937 17.173 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 -1.278 -9.091 15.491 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 -1.047 -10.440 16.495 1.00 10.00 H new ATOM 1522 N LEU D 20 5.226 -7.991 13.101 1.00 10.00 N ATOM 1523 CA LEU D 20 5.855 -8.513 11.886 1.00 10.00 C ATOM 1524 C LEU D 20 7.391 -8.428 11.944 1.00 10.00 C ATOM 1525 O LEU D 20 8.082 -9.320 11.458 1.00 10.00 O ATOM 1526 CB LEU D 20 5.296 -7.825 10.629 1.00 10.00 C ATOM 1527 CG LEU D 20 3.908 -8.299 10.150 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.791 -9.824 10.052 1.00 10.00 C ATOM 1529 CD2 LEU D 20 2.743 -7.747 10.972 1.00 10.00 C ATOM 0 H LEU D 20 4.620 -7.185 12.946 1.00 10.00 H new ATOM 0 HA LEU D 20 5.603 -9.572 11.824 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.244 -6.753 10.820 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.007 -7.970 9.815 1.00 10.00 H new ATOM 0 HG LEU D 20 3.830 -7.881 9.146 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.791 -10.091 9.710 1.00 10.00 H new ATOM 0 HD12 LEU D 20 4.529 -10.201 9.344 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.969 -10.266 11.032 1.00 10.00 H new ATOM 0 HD21 LEU D 20 1.803 -8.127 10.572 1.00 10.00 H new ATOM 0 HD22 LEU D 20 2.849 -8.062 12.010 1.00 10.00 H new ATOM 0 HD23 LEU D 20 2.745 -6.658 10.921 1.00 10.00 H new ATOM 1541 N LYS D 21 7.950 -7.388 12.564 1.00 10.00 N ATOM 1542 CA LYS D 21 9.382 -7.308 12.835 1.00 10.00 C ATOM 1543 C LYS D 21 9.832 -8.450 13.763 1.00 10.00 C ATOM 1544 O LYS D 21 10.771 -9.176 13.448 1.00 10.00 O ATOM 1545 CB LYS D 21 9.703 -5.918 13.403 1.00 10.00 C ATOM 1546 CG LYS D 21 11.212 -5.663 13.488 1.00 10.00 C ATOM 1547 CD LYS D 21 11.448 -4.217 13.936 1.00 10.00 C ATOM 1548 CE LYS D 21 12.949 -3.927 14.015 1.00 10.00 C ATOM 1549 NZ LYS D 21 13.195 -2.535 14.433 1.00 10.00 N ATOM 0 H LYS D 21 7.422 -6.579 12.891 1.00 10.00 H new ATOM 0 HA LYS D 21 9.945 -7.435 11.910 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.242 -5.155 12.775 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.263 -5.822 14.396 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.672 -6.356 14.193 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.679 -5.838 12.519 1.00 10.00 H new ATOM 0 HD2 LYS D 21 10.974 -3.529 13.236 1.00 10.00 H new ATOM 0 HD3 LYS D 21 10.986 -4.050 14.909 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.419 -4.611 14.721 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.410 -4.106 13.043 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 14.220 -2.362 14.479 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 12.765 -1.885 13.745 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 12.774 -2.375 15.370 1.00 10.00 H new ATOM 1563 N ASN D 22 9.140 -8.633 14.893 1.00 10.00 N ATOM 1564 CA ASN D 22 9.414 -9.682 15.876 1.00 10.00 C ATOM 1565 C ASN D 22 9.316 -11.089 15.266 1.00 10.00 C ATOM 1566 O ASN D 22 10.079 -11.968 15.658 1.00 10.00 O ATOM 1567 CB ASN D 22 8.470 -9.517 17.079 1.00 10.00 C ATOM 1568 CG ASN D 22 8.957 -10.169 18.375 1.00 10.00 C ATOM 1569 OD1 ASN D 22 8.734 -9.637 19.454 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.624 -11.315 18.329 1.00 10.00 N ATOM 0 H ASN D 22 8.353 -8.039 15.154 1.00 10.00 H new ATOM 0 HA ASN D 22 10.444 -9.573 16.217 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.318 -8.453 17.260 1.00 10.00 H new ATOM 0 HB3 ASN D 22 7.499 -9.938 16.820 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.950 -11.751 19.192 1.00 10.00 H new ATOM 0 HD22 ASN D 22 9.811 -11.760 17.431 1.00 10.00 H new