USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 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: B 12 TYR OH : rot -61:sc= 2.61 USER MOD Set 1.2: C 10 THR OG1 : rot -48:sc= 1.22 USER MOD Set 2.1: A 15 THR OG1 : rot 80:sc= 1.16 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.0979 K(o=1.1,f=-5.7!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= -0.112 (180deg=-1.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00963) USER MOD Single : B 11 LYS NZ :NH3+ -149:sc= 0.0791 (180deg=-0.000235) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ -167:sc=-0.00175 (180deg=-0.16) USER MOD Single : B 22 ASN : amide:sc= 1.66 K(o=1.7,f=-11!) USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 15 THR OG1 : rot -75:sc= 1.09 USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -174:sc= 0.758 (180deg=0.733) USER MOD Single : D 12 TYR OH : rot 167:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.942 K(o=0.94,f=-3.2!) USER MOD Single : D 17 HIS : no HE2:sc= 0.422 K(o=0.42,f=-3.5!) USER MOD Single : D 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0557) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.1 K(o=1.1,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.946 7.171 7.601 1.00 10.00 N ATOM 88 CA PRO A 6 -5.234 7.274 6.926 1.00 10.00 C ATOM 89 C PRO A 6 -6.114 6.043 7.207 1.00 10.00 C ATOM 90 O PRO A 6 -5.588 4.944 7.379 1.00 10.00 O ATOM 91 CB PRO A 6 -4.887 7.399 5.437 1.00 10.00 C ATOM 92 CG PRO A 6 -3.576 6.622 5.325 1.00 10.00 C ATOM 93 CD PRO A 6 -2.874 6.964 6.639 1.00 10.00 C ATOM 0 HA PRO A 6 -5.815 8.127 7.277 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.665 6.972 4.804 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.767 8.440 5.136 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.747 5.550 5.224 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.992 6.935 4.460 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.213 6.157 6.954 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.259 7.858 6.536 1.00 10.00 H new ATOM 101 N PRO A 7 -7.451 6.185 7.202 1.00 10.00 N ATOM 102 CA PRO A 7 -8.380 5.078 7.444 1.00 10.00 C ATOM 103 C PRO A 7 -8.217 3.946 6.419 1.00 10.00 C ATOM 104 O PRO A 7 -8.468 2.780 6.727 1.00 10.00 O ATOM 105 CB PRO A 7 -9.777 5.705 7.407 1.00 10.00 C ATOM 106 CG PRO A 7 -9.593 6.938 6.523 1.00 10.00 C ATOM 107 CD PRO A 7 -8.180 7.400 6.878 1.00 10.00 C ATOM 0 HA PRO A 7 -8.187 4.599 8.404 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.514 5.019 6.990 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.122 5.975 8.405 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.685 6.694 5.465 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -10.336 7.706 6.739 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.717 7.926 6.043 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -8.192 8.089 7.722 1.00 10.00 H new ATOM 115 N GLY A 8 -7.732 4.277 5.216 1.00 10.00 N ATOM 116 CA GLY A 8 -7.251 3.309 4.235 1.00 10.00 C ATOM 117 C GLY A 8 -6.342 2.234 4.847 1.00 10.00 C ATOM 118 O GLY A 8 -6.440 1.068 4.475 1.00 10.00 O ATOM 0 H GLY A 8 -7.664 5.243 4.896 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.105 2.827 3.760 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.705 3.835 3.451 1.00 10.00 H new ATOM 122 N PHE A 9 -5.486 2.601 5.809 1.00 10.00 N ATOM 123 CA PHE A 9 -4.679 1.640 6.558 1.00 10.00 C ATOM 124 C PHE A 9 -5.556 0.628 7.309 1.00 10.00 C ATOM 125 O PHE A 9 -5.386 -0.578 7.161 1.00 10.00 O ATOM 126 CB PHE A 9 -3.757 2.379 7.534 1.00 10.00 C ATOM 127 CG PHE A 9 -2.941 1.459 8.421 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.117 0.485 7.833 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.083 1.501 9.821 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.419 -0.429 8.638 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.372 0.597 10.629 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.553 -0.379 10.037 1.00 10.00 C ATOM 0 H PHE A 9 -5.336 3.571 6.087 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.073 1.081 5.845 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -3.079 3.017 6.967 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.360 3.034 8.163 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.020 0.439 6.758 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.739 2.229 10.275 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.779 -1.171 8.183 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.455 0.653 11.704 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.027 -1.090 10.656 1.00 10.00 H new ATOM 142 N THR A 10 -6.510 1.112 8.106 1.00 10.00 N ATOM 143 CA THR A 10 -7.447 0.268 8.845 1.00 10.00 C ATOM 144 C THR A 10 -8.227 -0.657 7.903 1.00 10.00 C ATOM 145 O THR A 10 -8.323 -1.862 8.139 1.00 10.00 O ATOM 146 CB THR A 10 -8.396 1.157 9.661 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.653 2.152 10.334 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.169 0.347 10.703 1.00 10.00 C ATOM 0 H THR A 10 -6.654 2.110 8.257 1.00 10.00 H new ATOM 0 HA THR A 10 -6.885 -0.372 9.525 1.00 10.00 H new ATOM 0 HB THR A 10 -9.105 1.606 8.966 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.261 2.719 10.853 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.830 1.009 11.261 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.761 -0.419 10.202 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.467 -0.127 11.389 1.00 10.00 H new ATOM 156 N ALA A 11 -8.771 -0.094 6.819 1.00 10.00 N ATOM 157 CA ALA A 11 -9.476 -0.855 5.789 1.00 10.00 C ATOM 158 C ALA A 11 -8.582 -1.942 5.164 1.00 10.00 C ATOM 159 O ALA A 11 -8.965 -3.113 5.111 1.00 10.00 O ATOM 160 CB ALA A 11 -10.029 0.119 4.746 1.00 10.00 C ATOM 0 H ALA A 11 -8.733 0.908 6.633 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.309 -1.391 6.244 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.557 -0.438 3.972 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.717 0.814 5.226 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.207 0.675 4.296 1.00 10.00 H new ATOM 166 N LEU A 12 -7.369 -1.567 4.742 1.00 10.00 N ATOM 167 CA LEU A 12 -6.345 -2.486 4.256 1.00 10.00 C ATOM 168 C LEU A 12 -6.099 -3.614 5.262 1.00 10.00 C ATOM 169 O LEU A 12 -6.267 -4.779 4.917 1.00 10.00 O ATOM 170 CB LEU A 12 -5.069 -1.695 3.919 1.00 10.00 C ATOM 171 CG LEU A 12 -3.852 -2.494 3.415 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.114 -3.284 4.505 1.00 10.00 C ATOM 173 CD2 LEU A 12 -4.200 -3.418 2.248 1.00 10.00 C ATOM 0 H LEU A 12 -7.070 -0.592 4.730 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.687 -2.969 3.341 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.323 -0.954 3.161 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.766 -1.148 4.812 1.00 10.00 H new ATOM 0 HG LEU A 12 -3.164 -1.725 3.064 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.272 -3.816 4.062 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -2.748 -2.597 5.268 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -3.797 -4.001 4.960 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -3.307 -3.957 1.932 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -4.962 -4.131 2.563 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -4.580 -2.826 1.416 1.00 10.00 H new ATOM 185 N ILE A 13 -5.722 -3.289 6.503 1.00 10.00 N ATOM 186 CA ILE A 13 -5.466 -4.271 7.561 1.00 10.00 C ATOM 187 C ILE A 13 -6.653 -5.223 7.746 1.00 10.00 C ATOM 188 O ILE A 13 -6.473 -6.438 7.717 1.00 10.00 O ATOM 189 CB ILE A 13 -5.089 -3.557 8.874 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.691 -2.916 8.800 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.173 -4.488 10.093 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.523 -3.911 8.804 1.00 10.00 C ATOM 0 H ILE A 13 -5.584 -2.324 6.804 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.619 -4.887 7.259 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.827 -2.765 9.003 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.632 -2.312 7.895 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.574 -2.237 9.644 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.898 -3.936 10.992 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.191 -4.863 10.195 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.490 -5.326 9.958 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.581 -3.366 8.749 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.549 -4.499 9.721 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.608 -4.576 7.944 1.00 10.00 H new ATOM 204 N LYS A 14 -7.866 -4.689 7.911 1.00 10.00 N ATOM 205 CA LYS A 14 -9.080 -5.494 8.022 1.00 10.00 C ATOM 206 C LYS A 14 -9.217 -6.472 6.841 1.00 10.00 C ATOM 207 O LYS A 14 -9.390 -7.677 7.030 1.00 10.00 O ATOM 208 CB LYS A 14 -10.278 -4.541 8.130 1.00 10.00 C ATOM 209 CG LYS A 14 -11.594 -5.269 8.426 1.00 10.00 C ATOM 210 CD LYS A 14 -12.816 -4.346 8.291 1.00 10.00 C ATOM 211 CE LYS A 14 -12.781 -3.127 9.225 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.049 -1.992 8.634 1.00 10.00 N ATOM 0 H LYS A 14 -8.032 -3.684 7.971 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.035 -6.115 8.916 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.086 -3.812 8.918 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.378 -3.984 7.198 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.701 -6.112 7.744 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.561 -5.678 9.436 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.885 -4.000 7.260 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -13.719 -4.922 8.495 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -13.801 -2.819 9.455 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.312 -3.408 10.168 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.263 -1.722 9.259 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.673 -2.268 7.704 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.694 -1.184 8.521 1.00 10.00 H new ATOM 226 N THR A 15 -9.118 -5.951 5.616 1.00 10.00 N ATOM 227 CA THR A 15 -9.231 -6.746 4.392 1.00 10.00 C ATOM 228 C THR A 15 -8.138 -7.824 4.304 1.00 10.00 C ATOM 229 O THR A 15 -8.415 -8.980 3.988 1.00 10.00 O ATOM 230 CB THR A 15 -9.208 -5.818 3.169 1.00 10.00 C ATOM 231 OG1 THR A 15 -10.183 -4.808 3.305 1.00 10.00 O ATOM 232 CG2 THR A 15 -9.556 -6.580 1.895 1.00 10.00 C ATOM 0 H THR A 15 -8.956 -4.959 5.445 1.00 10.00 H new ATOM 0 HA THR A 15 -10.183 -7.276 4.413 1.00 10.00 H new ATOM 0 HB THR A 15 -8.203 -5.401 3.107 1.00 10.00 H new ATOM 0 HG1 THR A 15 -9.846 -4.106 3.899 1.00 10.00 H new ATOM 0 HG21 THR A 15 -9.532 -5.898 1.045 1.00 10.00 H new ATOM 0 HG22 THR A 15 -8.831 -7.379 1.740 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.554 -7.008 1.988 1.00 10.00 H new ATOM 240 N LEU A 16 -6.890 -7.454 4.604 1.00 10.00 N ATOM 241 CA LEU A 16 -5.742 -8.355 4.663 1.00 10.00 C ATOM 242 C LEU A 16 -6.001 -9.486 5.661 1.00 10.00 C ATOM 243 O LEU A 16 -5.911 -10.660 5.312 1.00 10.00 O ATOM 244 CB LEU A 16 -4.487 -7.536 5.015 1.00 10.00 C ATOM 245 CG LEU A 16 -3.153 -8.240 4.708 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.038 -7.187 4.676 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.786 -9.306 5.747 1.00 10.00 C ATOM 0 H LEU A 16 -6.646 -6.487 4.819 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.581 -8.828 3.694 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.519 -6.594 4.468 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.516 -7.290 6.076 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.265 -8.743 3.748 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.086 -7.672 4.459 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.255 -6.451 3.902 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.980 -6.689 5.644 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.836 -9.767 5.476 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.697 -8.841 6.729 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.564 -10.069 5.776 1.00 10.00 H new ATOM 259 N ARG A 17 -6.360 -9.129 6.897 1.00 10.00 N ATOM 260 CA ARG A 17 -6.717 -10.074 7.948 1.00 10.00 C ATOM 261 C ARG A 17 -7.819 -11.039 7.479 1.00 10.00 C ATOM 262 O ARG A 17 -7.689 -12.252 7.638 1.00 10.00 O ATOM 263 CB ARG A 17 -7.128 -9.291 9.203 1.00 10.00 C ATOM 264 CG ARG A 17 -7.139 -10.196 10.441 1.00 10.00 C ATOM 265 CD ARG A 17 -8.380 -9.956 11.308 1.00 10.00 C ATOM 266 NE ARG A 17 -9.607 -10.366 10.606 1.00 10.00 N ATOM 267 CZ ARG A 17 -9.965 -11.629 10.345 1.00 10.00 C ATOM 268 NH1 ARG A 17 -9.248 -12.656 10.787 1.00 10.00 N ATOM 269 NH2 ARG A 17 -11.051 -11.871 9.620 1.00 10.00 N ATOM 0 H ARG A 17 -6.410 -8.155 7.197 1.00 10.00 H new ATOM 0 HA ARG A 17 -5.854 -10.694 8.191 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.437 -8.463 9.361 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.117 -8.858 9.057 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -7.110 -11.240 10.129 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -6.241 -10.015 11.032 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -8.288 -10.512 12.241 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.444 -8.900 11.572 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.236 -9.627 10.293 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -8.405 -12.490 11.338 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -9.540 -13.610 10.576 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.610 -11.095 9.264 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -11.326 -12.832 9.419 1.00 10.00 H new ATOM 283 N LYS A 18 -8.877 -10.510 6.850 1.00 10.00 N ATOM 284 CA LYS A 18 -9.922 -11.330 6.241 1.00 10.00 C ATOM 285 C LYS A 18 -9.355 -12.312 5.200 1.00 10.00 C ATOM 286 O LYS A 18 -9.533 -13.520 5.337 1.00 10.00 O ATOM 287 CB LYS A 18 -11.023 -10.439 5.648 1.00 10.00 C ATOM 288 CG LYS A 18 -12.326 -11.236 5.499 1.00 10.00 C ATOM 289 CD LYS A 18 -13.187 -10.667 4.367 1.00 10.00 C ATOM 290 CE LYS A 18 -14.523 -11.414 4.311 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.275 -11.064 3.095 1.00 10.00 N ATOM 0 H LYS A 18 -9.028 -9.506 6.752 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.367 -11.942 7.026 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.188 -9.575 6.292 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.708 -10.057 4.677 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.096 -12.282 5.296 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.884 -11.208 6.435 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.360 -9.603 4.528 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -12.665 -10.764 3.415 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -14.343 -12.489 4.335 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.117 -11.171 5.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -16.176 -11.584 3.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -15.465 -10.042 3.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.716 -11.319 2.256 1.00 10.00 H new ATOM 305 N CYS A 19 -8.642 -11.815 4.182 1.00 10.00 N ATOM 306 CA CYS A 19 -8.007 -12.646 3.152 1.00 10.00 C ATOM 307 C CYS A 19 -7.114 -13.746 3.755 1.00 10.00 C ATOM 308 O CYS A 19 -7.169 -14.903 3.343 1.00 10.00 O ATOM 309 CB CYS A 19 -7.212 -11.752 2.196 1.00 10.00 C ATOM 310 SG CYS A 19 -6.301 -12.640 0.907 1.00 10.00 S ATOM 0 H CYS A 19 -8.488 -10.815 4.049 1.00 10.00 H new ATOM 0 HA CYS A 19 -8.793 -13.160 2.599 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.899 -11.052 1.720 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.506 -11.159 2.778 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.211 -11.893 -0.153 1.00 10.00 H new ATOM 315 N LYS A 20 -6.317 -13.388 4.766 1.00 10.00 N ATOM 316 CA LYS A 20 -5.454 -14.296 5.520 1.00 10.00 C ATOM 317 C LYS A 20 -6.236 -15.233 6.469 1.00 10.00 C ATOM 318 O LYS A 20 -5.638 -16.101 7.102 1.00 10.00 O ATOM 319 CB LYS A 20 -4.412 -13.428 6.253 1.00 10.00 C ATOM 320 CG LYS A 20 -3.339 -14.173 7.064 1.00 10.00 C ATOM 321 CD LYS A 20 -2.577 -15.262 6.289 1.00 10.00 C ATOM 322 CE LYS A 20 -1.797 -14.738 5.075 1.00 10.00 C ATOM 323 NZ LYS A 20 -0.730 -13.802 5.468 1.00 10.00 N ATOM 0 H LYS A 20 -6.254 -12.423 5.092 1.00 10.00 H new ATOM 0 HA LYS A 20 -4.954 -14.984 4.838 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -3.908 -12.805 5.514 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.943 -12.756 6.928 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -2.620 -13.446 7.441 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.814 -14.631 7.932 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -1.882 -15.757 6.968 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -3.287 -16.018 5.953 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.361 -15.578 4.534 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.483 -14.239 4.391 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.195 -13.511 4.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -1.151 -12.964 5.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.089 -14.269 6.140 1.00 10.00 H new ATOM 337 N ILE A 21 -7.564 -15.085 6.579 1.00 10.00 N ATOM 338 CA ILE A 21 -8.465 -15.860 7.438 1.00 10.00 C ATOM 339 C ILE A 21 -8.277 -15.516 8.923 1.00 10.00 C ATOM 340 O ILE A 21 -9.221 -15.087 9.588 1.00 10.00 O ATOM 341 CB ILE A 21 -8.382 -17.378 7.165 1.00 10.00 C ATOM 342 CG1 ILE A 21 -8.462 -17.738 5.668 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.475 -18.120 7.951 1.00 10.00 C ATOM 344 CD1 ILE A 21 -9.729 -17.248 4.959 1.00 10.00 C ATOM 0 H ILE A 21 -8.065 -14.380 6.039 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.481 -15.564 7.175 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.398 -17.699 7.506 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -7.593 -17.319 5.161 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -8.400 -18.821 5.565 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.406 -19.189 7.750 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.340 -17.942 9.018 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.455 -17.756 7.643 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -9.698 -17.547 3.911 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -10.606 -17.687 5.436 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -9.786 -16.161 5.025 1.00 10.00 H new ATOM 356 N ILE A 22 -7.063 -15.706 9.446 1.00 10.00 N ATOM 357 CA ILE A 22 -6.679 -15.333 10.807 1.00 10.00 C ATOM 358 C ILE A 22 -6.225 -13.867 10.880 1.00 10.00 C ATOM 359 O ILE A 22 -6.679 -13.180 11.825 1.00 10.00 O ATOM 360 CB ILE A 22 -5.631 -16.317 11.369 1.00 10.00 C ATOM 361 CG1 ILE A 22 -4.319 -16.335 10.561 1.00 10.00 C ATOM 362 CG2 ILE A 22 -6.249 -17.723 11.450 1.00 10.00 C ATOM 363 CD1 ILE A 22 -3.253 -17.242 11.182 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.455 -13.444 9.988 1.00 10.00 O ATOM 0 H ILE A 22 -6.301 -16.135 8.920 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.558 -15.409 11.448 1.00 10.00 H new ATOM 0 HB ILE A 22 -5.357 -15.973 12.366 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -4.528 -16.670 9.545 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -3.928 -15.320 10.488 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -5.512 -18.422 11.846 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -7.119 -17.701 12.107 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -6.555 -18.044 10.454 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.351 -17.215 10.570 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.020 -16.893 12.188 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -3.628 -18.264 11.230 1.00 10.00 H new ATOM 465 N ILE B 7 1.962 9.348 -5.640 1.00 10.00 N ATOM 466 CA ILE B 7 1.054 8.595 -6.496 1.00 10.00 C ATOM 467 C ILE B 7 1.353 7.090 -6.482 1.00 10.00 C ATOM 468 O ILE B 7 0.431 6.294 -6.367 1.00 10.00 O ATOM 469 CB ILE B 7 0.995 9.182 -7.921 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.253 8.993 -8.794 1.00 10.00 C ATOM 471 CG2 ILE B 7 0.552 10.652 -7.889 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.532 9.678 -8.298 1.00 10.00 C ATOM 0 HA ILE B 7 0.054 8.702 -6.076 1.00 10.00 H new ATOM 0 HB ILE B 7 0.242 8.577 -8.426 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.450 7.925 -8.884 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.033 9.362 -9.796 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.518 11.044 -8.906 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -0.438 10.724 -7.439 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.261 11.233 -7.300 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.347 9.474 -8.992 1.00 10.00 H new ATOM 0 HD12 ILE B 7 3.368 10.754 -8.237 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.791 9.294 -7.311 1.00 10.00 H new ATOM 484 N GLU B 8 2.628 6.688 -6.551 1.00 10.00 N ATOM 485 CA GLU B 8 3.022 5.281 -6.499 1.00 10.00 C ATOM 486 C GLU B 8 2.649 4.638 -5.154 1.00 10.00 C ATOM 487 O GLU B 8 2.093 3.541 -5.123 1.00 10.00 O ATOM 488 CB GLU B 8 4.521 5.159 -6.813 1.00 10.00 C ATOM 489 CG GLU B 8 5.014 3.700 -6.790 1.00 10.00 C ATOM 490 CD GLU B 8 4.256 2.781 -7.745 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.072 3.195 -8.910 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.871 1.681 -7.295 1.00 10.00 O ATOM 0 H GLU B 8 3.413 7.332 -6.644 1.00 10.00 H new ATOM 0 HA GLU B 8 2.469 4.727 -7.257 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.719 5.590 -7.794 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.089 5.742 -6.088 1.00 10.00 H new ATOM 0 HG2 GLU B 8 6.074 3.680 -7.045 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.922 3.311 -5.776 1.00 10.00 H new ATOM 499 N ALA B 9 2.923 5.328 -4.043 1.00 10.00 N ATOM 500 CA ALA B 9 2.534 4.885 -2.709 1.00 10.00 C ATOM 501 C ALA B 9 1.028 4.592 -2.635 1.00 10.00 C ATOM 502 O ALA B 9 0.604 3.488 -2.282 1.00 10.00 O ATOM 503 CB ALA B 9 2.970 5.924 -1.673 1.00 10.00 C ATOM 0 H ALA B 9 3.425 6.216 -4.049 1.00 10.00 H new ATOM 0 HA ALA B 9 3.042 3.947 -2.484 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.678 5.590 -0.677 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.053 6.045 -1.712 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.490 6.878 -1.891 1.00 10.00 H new ATOM 509 N ARG B 10 0.217 5.585 -3.015 1.00 10.00 N ATOM 510 CA ARG B 10 -1.236 5.443 -3.064 1.00 10.00 C ATOM 511 C ARG B 10 -1.686 4.354 -4.056 1.00 10.00 C ATOM 512 O ARG B 10 -2.591 3.579 -3.751 1.00 10.00 O ATOM 513 CB ARG B 10 -1.886 6.801 -3.352 1.00 10.00 C ATOM 514 CG ARG B 10 -1.653 7.768 -2.180 1.00 10.00 C ATOM 515 CD ARG B 10 -2.424 9.078 -2.369 1.00 10.00 C ATOM 516 NE ARG B 10 -3.878 8.852 -2.412 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.669 8.584 -1.367 1.00 10.00 C ATOM 518 NH1 ARG B 10 -4.200 8.549 -0.122 1.00 10.00 N ATOM 519 NH2 ARG B 10 -5.961 8.344 -1.577 1.00 10.00 N ATOM 0 H ARG B 10 0.552 6.507 -3.296 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.577 5.105 -2.086 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.471 7.223 -4.267 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.956 6.671 -3.517 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -1.963 7.294 -1.249 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -0.588 7.982 -2.090 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.186 9.761 -1.554 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -2.103 9.559 -3.293 1.00 10.00 H new ATOM 0 HE ARG B 10 -4.326 8.905 -3.327 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -3.212 8.730 0.056 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -4.829 8.342 0.654 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -6.336 8.366 -2.525 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -6.576 8.138 -0.790 1.00 10.00 H new ATOM 533 N LYS B 11 -1.049 4.267 -5.228 1.00 10.00 N ATOM 534 CA LYS B 11 -1.309 3.220 -6.214 1.00 10.00 C ATOM 535 C LYS B 11 -1.098 1.833 -5.599 1.00 10.00 C ATOM 536 O LYS B 11 -2.015 1.017 -5.628 1.00 10.00 O ATOM 537 CB LYS B 11 -0.460 3.450 -7.476 1.00 10.00 C ATOM 538 CG LYS B 11 -0.899 2.655 -8.719 1.00 10.00 C ATOM 539 CD LYS B 11 -0.638 1.138 -8.707 1.00 10.00 C ATOM 540 CE LYS B 11 0.823 0.749 -8.446 1.00 10.00 C ATOM 541 NZ LYS B 11 1.728 1.315 -9.461 1.00 10.00 N ATOM 0 H LYS B 11 -0.331 4.930 -5.519 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.354 3.268 -6.522 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -0.480 4.512 -7.719 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.575 3.195 -7.249 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.968 2.814 -8.862 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -0.395 3.079 -9.587 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -1.266 0.680 -7.943 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.947 0.721 -9.665 1.00 10.00 H new ATOM 0 HE2 LYS B 11 1.121 1.098 -7.457 1.00 10.00 H new ATOM 0 HE3 LYS B 11 0.915 -0.337 -8.442 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 2.537 0.677 -9.599 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.216 1.425 -10.360 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 2.070 2.244 -9.142 1.00 10.00 H new ATOM 555 N TYR B 12 0.076 1.548 -5.021 1.00 10.00 N ATOM 556 CA TYR B 12 0.317 0.229 -4.438 1.00 10.00 C ATOM 557 C TYR B 12 -0.640 -0.057 -3.272 1.00 10.00 C ATOM 558 O TYR B 12 -1.188 -1.154 -3.200 1.00 10.00 O ATOM 559 CB TYR B 12 1.803 -0.022 -4.120 1.00 10.00 C ATOM 560 CG TYR B 12 2.250 0.221 -2.689 1.00 10.00 C ATOM 561 CD1 TYR B 12 1.903 -0.694 -1.674 1.00 10.00 C ATOM 562 CD2 TYR B 12 3.114 1.288 -2.394 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.316 -0.469 -0.351 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.522 1.517 -1.066 1.00 10.00 C ATOM 565 CZ TYR B 12 3.113 0.645 -0.050 1.00 10.00 C ATOM 566 OH TYR B 12 3.484 0.884 1.237 1.00 10.00 O ATOM 0 H TYR B 12 0.857 2.200 -4.947 1.00 10.00 H new ATOM 0 HA TYR B 12 0.080 -0.514 -5.200 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.035 -1.056 -4.377 1.00 10.00 H new ATOM 0 HB3 TYR B 12 2.402 0.611 -4.775 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.318 -1.570 -1.915 1.00 10.00 H new ATOM 0 HD2 TYR B 12 3.466 1.933 -3.186 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.021 -1.152 0.432 1.00 10.00 H new ATOM 0 HE2 TYR B 12 4.150 2.364 -0.832 1.00 10.00 H new ATOM 0 HH TYR B 12 2.685 1.029 1.786 1.00 10.00 H new ATOM 576 N LEU B 13 -0.885 0.921 -2.387 1.00 10.00 N ATOM 577 CA LEU B 13 -1.919 0.817 -1.350 1.00 10.00 C ATOM 578 C LEU B 13 -3.266 0.371 -1.947 1.00 10.00 C ATOM 579 O LEU B 13 -3.810 -0.666 -1.565 1.00 10.00 O ATOM 580 CB LEU B 13 -2.030 2.164 -0.612 1.00 10.00 C ATOM 581 CG LEU B 13 -3.265 2.322 0.296 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.300 1.298 1.435 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.266 3.733 0.895 1.00 10.00 C ATOM 0 H LEU B 13 -0.373 1.803 -2.371 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.635 0.049 -0.630 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.135 2.301 -0.006 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.040 2.964 -1.352 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.147 2.152 -0.322 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -4.192 1.458 2.041 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.320 0.291 1.018 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.413 1.415 2.057 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.137 3.854 1.539 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.358 3.881 1.480 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.304 4.469 0.092 1.00 10.00 H new ATOM 595 N GLU B 14 -3.796 1.146 -2.899 1.00 10.00 N ATOM 596 CA GLU B 14 -5.062 0.861 -3.563 1.00 10.00 C ATOM 597 C GLU B 14 -5.059 -0.523 -4.232 1.00 10.00 C ATOM 598 O GLU B 14 -5.937 -1.339 -3.975 1.00 10.00 O ATOM 599 CB GLU B 14 -5.356 1.992 -4.562 1.00 10.00 C ATOM 600 CG GLU B 14 -6.654 1.770 -5.359 1.00 10.00 C ATOM 601 CD GLU B 14 -7.881 1.569 -4.471 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.131 2.465 -3.637 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.544 0.523 -4.646 1.00 10.00 O ATOM 0 H GLU B 14 -3.347 2.000 -3.231 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.861 0.825 -2.822 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.425 2.937 -4.023 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.521 2.082 -5.257 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.823 2.627 -6.011 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -6.533 0.898 -6.002 1.00 10.00 H new ATOM 610 N GLN B 15 -4.068 -0.795 -5.080 1.00 10.00 N ATOM 611 CA GLN B 15 -3.900 -2.064 -5.784 1.00 10.00 C ATOM 612 C GLN B 15 -3.875 -3.255 -4.816 1.00 10.00 C ATOM 613 O GLN B 15 -4.598 -4.232 -5.004 1.00 10.00 O ATOM 614 CB GLN B 15 -2.614 -1.975 -6.612 1.00 10.00 C ATOM 615 CG GLN B 15 -2.376 -3.203 -7.499 1.00 10.00 C ATOM 616 CD GLN B 15 -1.091 -3.051 -8.303 1.00 10.00 C ATOM 617 OE1 GLN B 15 -1.113 -2.734 -9.484 1.00 10.00 O ATOM 618 NE2 GLN B 15 0.055 -3.266 -7.672 1.00 10.00 N ATOM 0 H GLN B 15 -3.338 -0.118 -5.302 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.752 -2.237 -6.442 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.655 -1.085 -7.240 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.765 -1.852 -5.939 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -2.319 -4.098 -6.880 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.220 -3.337 -8.176 1.00 10.00 H new ATOM 0 HE21 GLN B 15 0.053 -3.530 -6.687 1.00 10.00 H new ATOM 0 HE22 GLN B 15 0.939 -3.168 -8.172 1.00 10.00 H new ATOM 627 N LEU B 16 -3.050 -3.173 -3.769 1.00 10.00 N ATOM 628 CA LEU B 16 -2.961 -4.190 -2.728 1.00 10.00 C ATOM 629 C LEU B 16 -4.319 -4.390 -2.040 1.00 10.00 C ATOM 630 O LEU B 16 -4.812 -5.513 -1.953 1.00 10.00 O ATOM 631 CB LEU B 16 -1.852 -3.796 -1.741 1.00 10.00 C ATOM 632 CG LEU B 16 -1.616 -4.816 -0.616 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.164 -6.180 -1.152 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.555 -4.267 0.343 1.00 10.00 C ATOM 0 H LEU B 16 -2.418 -2.386 -3.622 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.700 -5.152 -3.168 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -0.922 -3.659 -2.293 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.103 -2.833 -1.296 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.563 -4.967 -0.098 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.010 -6.866 -0.319 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -1.929 -6.582 -1.816 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.231 -6.063 -1.703 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.382 -4.985 1.144 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.375 -4.099 -0.201 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.902 -3.325 0.769 1.00 10.00 H new ATOM 646 N HIS B 17 -4.952 -3.306 -1.583 1.00 10.00 N ATOM 647 CA HIS B 17 -6.284 -3.371 -0.985 1.00 10.00 C ATOM 648 C HIS B 17 -7.316 -4.002 -1.938 1.00 10.00 C ATOM 649 O HIS B 17 -8.135 -4.815 -1.510 1.00 10.00 O ATOM 650 CB HIS B 17 -6.713 -1.969 -0.534 1.00 10.00 C ATOM 651 CG HIS B 17 -7.912 -1.967 0.383 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.949 -2.876 0.379 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.180 -1.040 1.355 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.828 -2.492 1.319 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.401 -1.382 1.942 1.00 10.00 N ATOM 0 H HIS B 17 -4.557 -2.366 -1.618 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.238 -4.023 -0.113 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.877 -1.489 -0.025 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.939 -1.367 -1.414 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -9.033 -3.692 -0.228 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -7.559 -0.197 1.620 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.751 -3.005 1.543 1.00 10.00 H new ATOM 663 N ARG B 18 -7.288 -3.627 -3.217 1.00 10.00 N ATOM 664 CA ARG B 18 -8.166 -4.160 -4.253 1.00 10.00 C ATOM 665 C ARG B 18 -7.944 -5.667 -4.443 1.00 10.00 C ATOM 666 O ARG B 18 -8.898 -6.439 -4.405 1.00 10.00 O ATOM 667 CB ARG B 18 -7.946 -3.379 -5.556 1.00 10.00 C ATOM 668 CG ARG B 18 -9.025 -3.687 -6.606 1.00 10.00 C ATOM 669 CD ARG B 18 -8.395 -4.037 -7.958 1.00 10.00 C ATOM 670 NE ARG B 18 -7.759 -5.365 -7.922 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.385 -6.531 -8.115 1.00 10.00 C ATOM 672 NH1 ARG B 18 -9.700 -6.599 -8.295 1.00 10.00 N ATOM 673 NH2 ARG B 18 -7.701 -7.669 -8.135 1.00 10.00 N ATOM 0 H ARG B 18 -6.636 -2.926 -3.568 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.204 -4.034 -3.947 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -7.945 -2.310 -5.341 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -6.965 -3.624 -5.963 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.643 -4.517 -6.264 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -9.683 -2.825 -6.720 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.160 -4.018 -8.734 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -7.654 -3.283 -8.223 1.00 10.00 H new ATOM 0 HE ARG B 18 -6.757 -5.398 -7.734 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -10.260 -5.747 -8.288 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -10.149 -7.503 -8.440 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -6.690 -7.659 -8.002 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.187 -8.554 -8.283 1.00 10.00 H new ATOM 687 N LYS B 19 -6.689 -6.103 -4.583 1.00 10.00 N ATOM 688 CA LYS B 19 -6.327 -7.520 -4.611 1.00 10.00 C ATOM 689 C LYS B 19 -6.856 -8.258 -3.373 1.00 10.00 C ATOM 690 O LYS B 19 -7.521 -9.287 -3.487 1.00 10.00 O ATOM 691 CB LYS B 19 -4.802 -7.638 -4.767 1.00 10.00 C ATOM 692 CG LYS B 19 -4.285 -9.084 -4.869 1.00 10.00 C ATOM 693 CD LYS B 19 -3.991 -9.717 -3.499 1.00 10.00 C ATOM 694 CE LYS B 19 -3.316 -11.078 -3.680 1.00 10.00 C ATOM 695 NZ LYS B 19 -3.054 -11.712 -2.375 1.00 10.00 N ATOM 0 H LYS B 19 -5.890 -5.476 -4.681 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.799 -8.005 -5.465 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.497 -7.092 -5.659 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.323 -7.153 -3.917 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.023 -9.691 -5.392 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -3.377 -9.097 -5.471 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.347 -9.058 -2.916 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -4.918 -9.834 -2.938 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -3.952 -11.726 -4.283 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.379 -10.955 -4.224 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.596 -12.634 -2.523 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -2.429 -11.101 -1.811 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -3.952 -11.849 -1.869 1.00 10.00 H new ATOM 709 N LEU B 20 -6.576 -7.738 -2.177 1.00 10.00 N ATOM 710 CA LEU B 20 -7.024 -8.350 -0.928 1.00 10.00 C ATOM 711 C LEU B 20 -8.554 -8.329 -0.777 1.00 10.00 C ATOM 712 O LEU B 20 -9.120 -9.222 -0.156 1.00 10.00 O ATOM 713 CB LEU B 20 -6.309 -7.696 0.257 1.00 10.00 C ATOM 714 CG LEU B 20 -4.787 -7.924 0.229 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.141 -6.966 1.228 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.406 -9.366 0.586 1.00 10.00 C ATOM 0 H LEU B 20 -6.034 -6.884 -2.048 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.752 -9.405 -0.950 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.512 -6.625 0.253 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.715 -8.094 1.187 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.431 -7.739 -0.785 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.061 -7.111 1.225 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.370 -5.938 0.947 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.530 -7.165 2.227 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.322 -9.475 0.552 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.763 -9.599 1.589 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.862 -10.051 -0.129 1.00 10.00 H new ATOM 728 N LYS B 21 -9.253 -7.353 -1.364 1.00 10.00 N ATOM 729 CA LYS B 21 -10.707 -7.422 -1.492 1.00 10.00 C ATOM 730 C LYS B 21 -11.112 -8.554 -2.453 1.00 10.00 C ATOM 731 O LYS B 21 -11.934 -9.401 -2.110 1.00 10.00 O ATOM 732 CB LYS B 21 -11.253 -6.050 -1.917 1.00 10.00 C ATOM 733 CG LYS B 21 -12.779 -6.012 -2.090 1.00 10.00 C ATOM 734 CD LYS B 21 -13.521 -6.394 -0.800 1.00 10.00 C ATOM 735 CE LYS B 21 -15.036 -6.199 -0.940 1.00 10.00 C ATOM 736 NZ LYS B 21 -15.399 -4.776 -1.058 1.00 10.00 N ATOM 0 H LYS B 21 -8.835 -6.509 -1.756 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.153 -7.665 -0.528 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.963 -5.308 -1.172 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.784 -5.759 -2.857 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.083 -5.012 -2.399 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.069 -6.694 -2.889 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.309 -7.434 -0.552 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.151 -5.788 0.026 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.392 -6.738 -1.818 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.539 -6.631 -0.075 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -16.425 -4.668 -0.930 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.899 -4.229 -0.329 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -15.129 -4.426 -1.999 1.00 10.00 H new ATOM 750 N ASN B 22 -10.506 -8.597 -3.644 1.00 10.00 N ATOM 751 CA ASN B 22 -10.721 -9.620 -4.670 1.00 10.00 C ATOM 752 C ASN B 22 -10.497 -11.045 -4.136 1.00 10.00 C ATOM 753 O ASN B 22 -11.191 -11.969 -4.555 1.00 10.00 O ATOM 754 CB ASN B 22 -9.802 -9.324 -5.865 1.00 10.00 C ATOM 755 CG ASN B 22 -10.242 -9.936 -7.193 1.00 10.00 C ATOM 756 OD1 ASN B 22 -9.991 -9.351 -8.243 1.00 10.00 O ATOM 757 ND2 ASN B 22 -10.880 -11.097 -7.206 1.00 10.00 N ATOM 0 H ASN B 22 -9.826 -7.892 -3.930 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.763 -9.579 -4.986 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.730 -8.243 -5.988 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -8.801 -9.686 -5.631 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.167 -11.512 -8.093 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -11.085 -11.576 -6.329 1.00 10.00 H new ATOM 914 N PRO C 7 6.112 5.715 5.972 1.00 10.00 N ATOM 915 CA PRO C 7 7.104 4.657 5.802 1.00 10.00 C ATOM 916 C PRO C 7 6.791 3.452 6.693 1.00 10.00 C ATOM 917 O PRO C 7 6.980 2.312 6.277 1.00 10.00 O ATOM 918 CB PRO C 7 8.457 5.301 6.116 1.00 10.00 C ATOM 919 CG PRO C 7 8.095 6.458 7.046 1.00 10.00 C ATOM 920 CD PRO C 7 6.734 6.911 6.520 1.00 10.00 C ATOM 0 HA PRO C 7 7.104 4.255 4.789 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.135 4.596 6.598 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.953 5.653 5.212 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.039 6.137 8.086 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.833 7.259 6.999 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.127 7.339 7.318 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.845 7.681 5.756 1.00 10.00 H new ATOM 928 N GLY C 8 6.241 3.699 7.887 1.00 10.00 N ATOM 929 CA GLY C 8 5.669 2.672 8.752 1.00 10.00 C ATOM 930 C GLY C 8 4.757 1.684 8.012 1.00 10.00 C ATOM 931 O GLY C 8 4.827 0.485 8.262 1.00 10.00 O ATOM 0 H GLY C 8 6.182 4.637 8.283 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.478 2.119 9.230 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.100 3.154 9.547 1.00 10.00 H new ATOM 935 N PHE C 9 3.907 2.162 7.094 1.00 10.00 N ATOM 936 CA PHE C 9 3.018 1.294 6.321 1.00 10.00 C ATOM 937 C PHE C 9 3.811 0.384 5.376 1.00 10.00 C ATOM 938 O PHE C 9 3.658 -0.834 5.391 1.00 10.00 O ATOM 939 CB PHE C 9 1.994 2.144 5.559 1.00 10.00 C ATOM 940 CG PHE C 9 1.114 1.350 4.617 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.249 0.372 5.133 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.198 1.544 3.227 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.564 -0.379 4.267 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.403 0.778 2.357 1.00 10.00 C ATOM 945 CZ PHE C 9 -0.462 -0.200 2.877 1.00 10.00 C ATOM 0 H PHE C 9 3.818 3.153 6.870 1.00 10.00 H new ATOM 0 HA PHE C 9 2.480 0.642 7.010 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.362 2.664 6.278 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.523 2.907 4.989 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.208 0.196 6.198 1.00 10.00 H new ATOM 0 HD2 PHE C 9 1.875 2.284 2.827 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -1.267 -1.093 4.670 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.457 0.941 1.291 1.00 10.00 H new ATOM 0 HZ PHE C 9 -1.048 -0.814 2.209 1.00 10.00 H new ATOM 955 N THR C 10 4.690 0.970 4.563 1.00 10.00 N ATOM 956 CA THR C 10 5.571 0.226 3.663 1.00 10.00 C ATOM 957 C THR C 10 6.411 -0.811 4.424 1.00 10.00 C ATOM 958 O THR C 10 6.470 -1.981 4.044 1.00 10.00 O ATOM 959 CB THR C 10 6.431 1.229 2.882 1.00 10.00 C ATOM 960 OG1 THR C 10 5.594 2.256 2.387 1.00 10.00 O ATOM 961 CG2 THR C 10 7.131 0.573 1.692 1.00 10.00 C ATOM 0 H THR C 10 4.811 1.981 4.510 1.00 10.00 H new ATOM 0 HA THR C 10 4.976 -0.348 2.953 1.00 10.00 H new ATOM 0 HB THR C 10 7.190 1.619 3.560 1.00 10.00 H new ATOM 0 HG1 THR C 10 4.809 1.859 1.955 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.729 1.317 1.166 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.779 -0.228 2.047 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.385 0.161 1.012 1.00 10.00 H new ATOM 969 N ALA C 11 7.021 -0.393 5.537 1.00 10.00 N ATOM 970 CA ALA C 11 7.741 -1.271 6.451 1.00 10.00 C ATOM 971 C ALA C 11 6.843 -2.389 7.005 1.00 10.00 C ATOM 972 O ALA C 11 7.235 -3.555 6.995 1.00 10.00 O ATOM 973 CB ALA C 11 8.360 -0.433 7.571 1.00 10.00 C ATOM 0 H ALA C 11 7.026 0.584 5.829 1.00 10.00 H new ATOM 0 HA ALA C 11 8.538 -1.771 5.900 1.00 10.00 H new ATOM 0 HB1 ALA C 11 8.900 -1.085 8.258 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.050 0.294 7.143 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.572 0.090 8.112 1.00 10.00 H new ATOM 979 N LEU C 12 5.628 -2.062 7.457 1.00 10.00 N ATOM 980 CA LEU C 12 4.637 -3.055 7.867 1.00 10.00 C ATOM 981 C LEU C 12 4.389 -4.078 6.754 1.00 10.00 C ATOM 982 O LEU C 12 4.515 -5.272 6.993 1.00 10.00 O ATOM 983 CB LEU C 12 3.349 -2.370 8.346 1.00 10.00 C ATOM 984 CG LEU C 12 2.351 -3.343 8.998 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.520 -2.577 10.028 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.388 -3.986 7.991 1.00 10.00 C ATOM 0 H LEU C 12 5.306 -1.098 7.548 1.00 10.00 H new ATOM 0 HA LEU C 12 5.031 -3.614 8.716 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.605 -1.589 9.062 1.00 10.00 H new ATOM 0 HB3 LEU C 12 2.869 -1.881 7.499 1.00 10.00 H new ATOM 0 HG LEU C 12 2.936 -4.143 9.453 1.00 10.00 H new ATOM 0 HD11 LEU C 12 0.808 -3.255 10.498 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.179 -2.159 10.789 1.00 10.00 H new ATOM 0 HD13 LEU C 12 0.980 -1.770 9.532 1.00 10.00 H new ATOM 0 HD21 LEU C 12 0.711 -4.661 8.515 1.00 10.00 H new ATOM 0 HD22 LEU C 12 0.810 -3.208 7.492 1.00 10.00 H new ATOM 0 HD23 LEU C 12 1.958 -4.547 7.250 1.00 10.00 H new ATOM 998 N ILE C 13 4.078 -3.638 5.531 1.00 10.00 N ATOM 999 CA ILE C 13 3.917 -4.538 4.382 1.00 10.00 C ATOM 1000 C ILE C 13 5.143 -5.447 4.199 1.00 10.00 C ATOM 1001 O ILE C 13 5.000 -6.667 4.153 1.00 10.00 O ATOM 1002 CB ILE C 13 3.538 -3.737 3.114 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.011 -3.684 2.939 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.109 -4.332 1.816 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.277 -3.085 4.137 1.00 10.00 C ATOM 0 H ILE C 13 3.931 -2.653 5.309 1.00 10.00 H new ATOM 0 HA ILE C 13 3.086 -5.215 4.578 1.00 10.00 H new ATOM 0 HB ILE C 13 3.966 -2.747 3.271 1.00 10.00 H new ATOM 0 HG12 ILE C 13 1.776 -3.099 2.050 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.639 -4.693 2.763 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.803 -3.718 0.969 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.197 -4.354 1.874 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.732 -5.346 1.684 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.205 -3.080 3.941 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.481 -3.683 5.025 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.620 -2.064 4.301 1.00 10.00 H new ATOM 1017 N LYS C 14 6.348 -4.874 4.119 1.00 10.00 N ATOM 1018 CA LYS C 14 7.579 -5.649 3.949 1.00 10.00 C ATOM 1019 C LYS C 14 7.761 -6.696 5.064 1.00 10.00 C ATOM 1020 O LYS C 14 7.937 -7.885 4.799 1.00 10.00 O ATOM 1021 CB LYS C 14 8.777 -4.692 3.878 1.00 10.00 C ATOM 1022 CG LYS C 14 8.774 -3.885 2.572 1.00 10.00 C ATOM 1023 CD LYS C 14 9.773 -2.722 2.610 1.00 10.00 C ATOM 1024 CE LYS C 14 11.219 -3.207 2.758 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.164 -2.081 2.664 1.00 10.00 N ATOM 0 H LYS C 14 6.496 -3.866 4.170 1.00 10.00 H new ATOM 0 HA LYS C 14 7.511 -6.206 3.014 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.751 -4.011 4.728 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.704 -5.261 3.954 1.00 10.00 H new ATOM 0 HG2 LYS C 14 9.017 -4.544 1.739 1.00 10.00 H new ATOM 0 HG3 LYS C 14 7.772 -3.496 2.389 1.00 10.00 H new ATOM 0 HD2 LYS C 14 9.680 -2.135 1.696 1.00 10.00 H new ATOM 0 HD3 LYS C 14 9.527 -2.060 3.440 1.00 10.00 H new ATOM 0 HE2 LYS C 14 11.341 -3.710 3.717 1.00 10.00 H new ATOM 0 HE3 LYS C 14 11.442 -3.940 1.983 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 13.137 -2.435 2.767 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 12.060 -1.617 1.739 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 11.963 -1.395 3.420 1.00 10.00 H new ATOM 1039 N THR C 15 7.706 -6.255 6.322 1.00 10.00 N ATOM 1040 CA THR C 15 7.860 -7.133 7.482 1.00 10.00 C ATOM 1041 C THR C 15 6.748 -8.184 7.579 1.00 10.00 C ATOM 1042 O THR C 15 7.030 -9.325 7.930 1.00 10.00 O ATOM 1043 CB THR C 15 7.980 -6.328 8.782 1.00 10.00 C ATOM 1044 OG1 THR C 15 6.864 -5.487 8.960 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.249 -5.473 8.795 1.00 10.00 C ATOM 0 H THR C 15 7.553 -5.276 6.565 1.00 10.00 H new ATOM 0 HA THR C 15 8.793 -7.678 7.336 1.00 10.00 H new ATOM 0 HB THR C 15 8.027 -7.050 9.597 1.00 10.00 H new ATOM 0 HG1 THR C 15 6.930 -4.723 8.350 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.303 -4.916 9.730 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.123 -6.118 8.706 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.226 -4.775 7.958 1.00 10.00 H new ATOM 1053 N LEU C 16 5.500 -7.842 7.241 1.00 10.00 N ATOM 1054 CA LEU C 16 4.393 -8.794 7.147 1.00 10.00 C ATOM 1055 C LEU C 16 4.688 -9.861 6.092 1.00 10.00 C ATOM 1056 O LEU C 16 4.705 -11.052 6.404 1.00 10.00 O ATOM 1057 CB LEU C 16 3.077 -8.048 6.861 1.00 10.00 C ATOM 1058 CG LEU C 16 1.812 -8.901 7.073 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.627 -7.964 7.335 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.473 -9.784 5.865 1.00 10.00 C ATOM 0 H LEU C 16 5.229 -6.883 7.023 1.00 10.00 H new ATOM 0 HA LEU C 16 4.282 -9.309 8.101 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.022 -7.170 7.505 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.092 -7.689 5.832 1.00 10.00 H new ATOM 0 HG LEU C 16 2.005 -9.562 7.918 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.277 -8.554 7.487 1.00 10.00 H new ATOM 0 HD12 LEU C 16 0.825 -7.367 8.225 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.489 -7.304 6.479 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.572 -10.360 6.077 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.305 -9.155 4.991 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.301 -10.465 5.668 1.00 10.00 H new ATOM 1072 N ARG C 17 4.936 -9.428 4.851 1.00 10.00 N ATOM 1073 CA ARG C 17 5.326 -10.295 3.742 1.00 10.00 C ATOM 1074 C ARG C 17 6.439 -11.264 4.163 1.00 10.00 C ATOM 1075 O ARG C 17 6.309 -12.474 3.983 1.00 10.00 O ATOM 1076 CB ARG C 17 5.768 -9.434 2.547 1.00 10.00 C ATOM 1077 CG ARG C 17 4.600 -8.788 1.785 1.00 10.00 C ATOM 1078 CD ARG C 17 3.802 -9.763 0.906 1.00 10.00 C ATOM 1079 NE ARG C 17 4.657 -10.409 -0.108 1.00 10.00 N ATOM 1080 CZ ARG C 17 5.265 -11.597 0.002 1.00 10.00 C ATOM 1081 NH1 ARG C 17 5.054 -12.394 1.043 1.00 10.00 N ATOM 1082 NH2 ARG C 17 6.114 -11.993 -0.940 1.00 10.00 N ATOM 0 H ARG C 17 4.869 -8.445 4.588 1.00 10.00 H new ATOM 0 HA ARG C 17 4.467 -10.897 3.446 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.436 -8.650 2.903 1.00 10.00 H new ATOM 0 HB3 ARG C 17 6.342 -10.053 1.857 1.00 10.00 H new ATOM 0 HG2 ARG C 17 3.922 -8.328 2.504 1.00 10.00 H new ATOM 0 HG3 ARG C 17 4.990 -7.987 1.157 1.00 10.00 H new ATOM 0 HD2 ARG C 17 3.342 -10.526 1.534 1.00 10.00 H new ATOM 0 HD3 ARG C 17 2.992 -9.227 0.411 1.00 10.00 H new ATOM 0 HE ARG C 17 4.799 -9.900 -0.980 1.00 10.00 H new ATOM 0 HH11 ARG C 17 4.415 -12.106 1.784 1.00 10.00 H new ATOM 0 HH12 ARG C 17 5.531 -13.294 1.101 1.00 10.00 H new ATOM 0 HH21 ARG C 17 6.301 -11.393 -1.743 1.00 10.00 H new ATOM 0 HH22 ARG C 17 6.579 -12.897 -0.860 1.00 10.00 H new ATOM 1096 N LYS C 18 7.514 -10.737 4.759 1.00 10.00 N ATOM 1097 CA LYS C 18 8.605 -11.561 5.266 1.00 10.00 C ATOM 1098 C LYS C 18 8.132 -12.530 6.367 1.00 10.00 C ATOM 1099 O LYS C 18 8.187 -13.744 6.185 1.00 10.00 O ATOM 1100 CB LYS C 18 9.764 -10.665 5.729 1.00 10.00 C ATOM 1101 CG LYS C 18 11.081 -11.443 5.657 1.00 10.00 C ATOM 1102 CD LYS C 18 12.166 -10.767 6.501 1.00 10.00 C ATOM 1103 CE LYS C 18 13.506 -11.471 6.274 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.527 -10.981 7.215 1.00 10.00 N ATOM 0 H LYS C 18 7.648 -9.736 4.900 1.00 10.00 H new ATOM 0 HA LYS C 18 8.970 -12.191 4.455 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.821 -9.776 5.101 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.587 -10.324 6.749 1.00 10.00 H new ATOM 0 HG2 LYS C 18 10.925 -12.463 6.009 1.00 10.00 H new ATOM 0 HG3 LYS C 18 11.411 -11.511 4.620 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.247 -9.714 6.232 1.00 10.00 H new ATOM 0 HD3 LYS C 18 11.897 -10.807 7.557 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.381 -12.547 6.396 1.00 10.00 H new ATOM 0 HE3 LYS C 18 13.840 -11.303 5.250 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.426 -11.474 7.040 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 14.661 -9.959 7.080 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.216 -11.164 8.191 1.00 10.00 H new ATOM 1118 N CYS C 19 7.636 -12.004 7.496 1.00 10.00 N ATOM 1119 CA CYS C 19 7.174 -12.777 8.654 1.00 10.00 C ATOM 1120 C CYS C 19 6.263 -13.946 8.256 1.00 10.00 C ATOM 1121 O CYS C 19 6.456 -15.077 8.699 1.00 10.00 O ATOM 1122 CB CYS C 19 6.440 -11.857 9.642 1.00 10.00 C ATOM 1123 SG CYS C 19 5.789 -12.748 11.081 1.00 10.00 S ATOM 0 H CYS C 19 7.543 -10.997 7.631 1.00 10.00 H new ATOM 0 HA CYS C 19 8.058 -13.202 9.128 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.122 -11.078 9.981 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.619 -11.359 9.126 1.00 10.00 H new ATOM 0 HG CYS C 19 5.185 -11.912 11.872 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.049 8.961 17.913 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.099 8.197 18.720 1.00 10.00 C ATOM 1280 C ILE D 7 -2.414 6.700 18.692 1.00 10.00 C ATOM 1281 O ILE D 7 -1.508 5.896 18.491 1.00 10.00 O ATOM 1282 CB ILE D 7 -1.916 8.755 20.147 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.149 8.564 21.048 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.448 10.218 20.081 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -2.952 9.124 22.459 1.00 10.00 C ATOM 0 HA ILE D 7 -1.123 8.322 18.251 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.137 8.165 20.631 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.008 9.051 20.587 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.383 7.501 21.114 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.321 10.605 21.092 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.498 10.272 19.549 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.193 10.815 19.555 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -3.856 8.959 23.045 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.112 8.619 22.937 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -2.748 10.193 22.401 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.683 6.306 18.844 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.063 4.897 18.796 1.00 10.00 C ATOM 1299 C GLU D 8 -3.674 4.250 17.457 1.00 10.00 C ATOM 1300 O GLU D 8 -2.998 3.223 17.439 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.560 4.749 19.108 1.00 10.00 C ATOM 1302 CG GLU D 8 -5.911 5.163 20.551 1.00 10.00 C ATOM 1303 CD GLU D 8 -5.159 4.364 21.611 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -5.315 3.124 21.607 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -4.437 5.008 22.404 1.00 10.00 O ATOM 0 H GLU D 8 -4.462 6.946 19.001 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.507 4.357 19.562 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.134 5.358 18.410 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.859 3.713 18.949 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.690 6.222 20.681 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -6.983 5.039 20.706 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.063 4.859 16.331 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.708 4.375 15.000 1.00 10.00 C ATOM 1314 C ALA D 9 -2.188 4.295 14.798 1.00 10.00 C ATOM 1315 O ALA D 9 -1.680 3.289 14.306 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.359 5.265 13.938 1.00 10.00 C ATOM 0 H ALA D 9 -4.635 5.704 16.322 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.088 3.358 14.898 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.092 4.902 12.946 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.442 5.238 14.055 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.006 6.290 14.056 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.453 5.344 15.180 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.002 5.385 15.018 1.00 10.00 C ATOM 1324 C ARG D 10 0.716 4.347 15.901 1.00 10.00 C ATOM 1325 O ARG D 10 1.585 3.618 15.420 1.00 10.00 O ATOM 1326 CB ARG D 10 0.495 6.822 15.229 1.00 10.00 C ATOM 1327 CG ARG D 10 1.913 6.994 14.667 1.00 10.00 C ATOM 1328 CD ARG D 10 2.369 8.460 14.682 1.00 10.00 C ATOM 1329 NE ARG D 10 1.484 9.354 13.910 1.00 10.00 N ATOM 1330 CZ ARG D 10 1.363 9.404 12.578 1.00 10.00 C ATOM 1331 NH1 ARG D 10 1.994 8.554 11.779 1.00 10.00 N ATOM 1332 NH2 ARG D 10 0.598 10.323 11.998 1.00 10.00 N ATOM 0 H ARG D 10 -1.847 6.182 15.607 1.00 10.00 H new ATOM 0 HA ARG D 10 0.251 5.094 13.998 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.183 7.522 14.740 1.00 10.00 H new ATOM 0 HB3 ARG D 10 0.488 7.062 16.292 1.00 10.00 H new ATOM 0 HG2 ARG D 10 2.609 6.393 15.252 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.945 6.616 13.645 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.415 8.808 15.714 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.380 8.523 14.278 1.00 10.00 H new ATOM 0 HE ARG D 10 0.905 10.000 14.447 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.595 7.832 12.176 1.00 10.00 H new ATOM 0 HH12 ARG D 10 1.878 8.622 10.768 1.00 10.00 H new ATOM 0 HH21 ARG D 10 0.094 11.002 12.569 1.00 10.00 H new ATOM 0 HH22 ARG D 10 0.515 10.350 10.982 1.00 10.00 H new ATOM 1346 N LYS D 11 0.331 4.235 17.178 1.00 10.00 N ATOM 1347 CA LYS D 11 0.808 3.173 18.062 1.00 10.00 C ATOM 1348 C LYS D 11 0.496 1.786 17.485 1.00 10.00 C ATOM 1349 O LYS D 11 1.386 0.947 17.400 1.00 10.00 O ATOM 1350 CB LYS D 11 0.203 3.321 19.465 1.00 10.00 C ATOM 1351 CG LYS D 11 0.811 4.500 20.237 1.00 10.00 C ATOM 1352 CD LYS D 11 0.310 4.559 21.689 1.00 10.00 C ATOM 1353 CE LYS D 11 -1.204 4.783 21.768 1.00 10.00 C ATOM 1354 NZ LYS D 11 -1.645 4.993 23.157 1.00 10.00 N ATOM 0 H LYS D 11 -0.321 4.880 17.625 1.00 10.00 H new ATOM 0 HA LYS D 11 1.891 3.268 18.140 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.875 3.461 19.381 1.00 10.00 H new ATOM 0 HB3 LYS D 11 0.362 2.400 20.026 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.898 4.415 20.232 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.562 5.432 19.730 1.00 10.00 H new ATOM 0 HD2 LYS D 11 0.566 3.630 22.198 1.00 10.00 H new ATOM 0 HD3 LYS D 11 0.823 5.363 22.217 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -1.477 5.648 21.163 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -1.723 3.922 21.346 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -2.683 5.040 23.188 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.316 4.203 23.749 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -1.247 5.884 23.517 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.751 1.541 17.072 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.164 0.290 16.436 1.00 10.00 C ATOM 1370 C TYR D 12 -0.288 -0.044 15.215 1.00 10.00 C ATOM 1371 O TYR D 12 0.336 -1.103 15.170 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.654 0.394 16.086 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.255 -0.809 15.386 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.349 -2.041 16.061 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.857 -0.658 14.122 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -4.050 -3.112 15.479 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.543 -1.736 13.536 1.00 10.00 C ATOM 1378 CZ TYR D 12 -4.661 -2.950 14.226 1.00 10.00 C ATOM 1379 OH TYR D 12 -5.344 -3.984 13.663 1.00 10.00 O ATOM 0 H TYR D 12 -1.510 2.215 17.172 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.023 -0.541 17.127 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.212 0.571 17.005 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.798 1.269 15.452 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.882 -2.164 17.027 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.792 0.287 13.602 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -4.118 -4.058 15.996 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.979 -1.629 12.554 1.00 10.00 H new ATOM 0 HH TYR D 12 -5.880 -3.652 12.913 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.200 0.881 14.251 1.00 10.00 N ATOM 1390 CA LEU D 13 0.697 0.795 13.097 1.00 10.00 C ATOM 1391 C LEU D 13 2.119 0.394 13.511 1.00 10.00 C ATOM 1392 O LEU D 13 2.635 -0.642 13.080 1.00 10.00 O ATOM 1393 CB LEU D 13 0.678 2.146 12.356 1.00 10.00 C ATOM 1394 CG LEU D 13 1.740 2.304 11.253 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.551 1.280 10.134 1.00 10.00 C ATOM 1396 CD2 LEU D 13 1.657 3.713 10.658 1.00 10.00 C ATOM 0 H LEU D 13 -0.765 1.730 14.254 1.00 10.00 H new ATOM 0 HA LEU D 13 0.346 0.011 12.426 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.308 2.285 11.912 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.814 2.944 13.086 1.00 10.00 H new ATOM 0 HG LEU D 13 2.717 2.138 11.708 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.320 1.424 9.375 1.00 10.00 H new ATOM 0 HD12 LEU D 13 1.631 0.273 10.545 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.567 1.411 9.683 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.410 3.823 9.877 1.00 10.00 H new ATOM 0 HD22 LEU D 13 0.666 3.870 10.232 1.00 10.00 H new ATOM 0 HD23 LEU D 13 1.836 4.450 11.441 1.00 10.00 H new ATOM 1408 N GLU D 14 2.766 1.213 14.346 1.00 10.00 N ATOM 1409 CA GLU D 14 4.155 0.978 14.717 1.00 10.00 C ATOM 1410 C GLU D 14 4.350 -0.297 15.547 1.00 10.00 C ATOM 1411 O GLU D 14 5.350 -0.983 15.365 1.00 10.00 O ATOM 1412 CB GLU D 14 4.761 2.222 15.378 1.00 10.00 C ATOM 1413 CG GLU D 14 4.895 3.395 14.387 1.00 10.00 C ATOM 1414 CD GLU D 14 5.726 3.079 13.139 1.00 10.00 C ATOM 1415 OE1 GLU D 14 6.668 2.261 13.247 1.00 10.00 O ATOM 1416 OE2 GLU D 14 5.394 3.663 12.086 1.00 10.00 O ATOM 0 H GLU D 14 2.348 2.039 14.773 1.00 10.00 H new ATOM 0 HA GLU D 14 4.709 0.797 13.796 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.137 2.527 16.218 1.00 10.00 H new ATOM 0 HB3 GLU D 14 5.743 1.976 15.783 1.00 10.00 H new ATOM 0 HG2 GLU D 14 3.898 3.707 14.075 1.00 10.00 H new ATOM 0 HG3 GLU D 14 5.346 4.242 14.904 1.00 10.00 H new ATOM 1423 N GLN D 15 3.414 -0.653 16.429 1.00 10.00 N ATOM 1424 CA GLN D 15 3.488 -1.895 17.191 1.00 10.00 C ATOM 1425 C GLN D 15 3.307 -3.128 16.293 1.00 10.00 C ATOM 1426 O GLN D 15 4.028 -4.113 16.456 1.00 10.00 O ATOM 1427 CB GLN D 15 2.495 -1.860 18.360 1.00 10.00 C ATOM 1428 CG GLN D 15 2.561 -3.117 19.246 1.00 10.00 C ATOM 1429 CD GLN D 15 3.962 -3.435 19.764 1.00 10.00 C ATOM 1430 OE1 GLN D 15 4.425 -2.876 20.750 1.00 10.00 O ATOM 1431 NE2 GLN D 15 4.677 -4.331 19.101 1.00 10.00 N ATOM 0 H GLN D 15 2.588 -0.090 16.632 1.00 10.00 H new ATOM 0 HA GLN D 15 4.489 -1.983 17.614 1.00 10.00 H new ATOM 0 HB2 GLN D 15 2.694 -0.980 18.972 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.484 -1.752 17.967 1.00 10.00 H new ATOM 0 HG2 GLN D 15 1.891 -2.986 20.096 1.00 10.00 H new ATOM 0 HG3 GLN D 15 2.192 -3.970 18.677 1.00 10.00 H new ATOM 0 HE21 GLN D 15 4.283 -4.792 18.281 1.00 10.00 H new ATOM 0 HE22 GLN D 15 5.621 -4.560 19.411 1.00 10.00 H new ATOM 1440 N LEU D 16 2.377 -3.092 15.332 1.00 10.00 N ATOM 1441 CA LEU D 16 2.296 -4.139 14.313 1.00 10.00 C ATOM 1442 C LEU D 16 3.627 -4.259 13.557 1.00 10.00 C ATOM 1443 O LEU D 16 4.251 -5.317 13.576 1.00 10.00 O ATOM 1444 CB LEU D 16 1.139 -3.868 13.342 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.258 -4.112 13.933 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.293 -3.578 12.937 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.530 -5.602 14.178 1.00 10.00 C ATOM 0 H LEU D 16 1.677 -2.356 15.240 1.00 10.00 H new ATOM 0 HA LEU D 16 2.100 -5.088 14.813 1.00 10.00 H new ATOM 0 HB2 LEU D 16 1.201 -2.834 13.003 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.263 -4.500 12.463 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.320 -3.602 14.894 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.296 -3.739 13.333 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -1.131 -2.511 12.781 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.189 -4.103 11.988 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -1.529 -5.726 14.596 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -0.462 -6.144 13.235 1.00 10.00 H new ATOM 0 HD23 LEU D 16 0.207 -5.996 14.877 1.00 10.00 H new ATOM 1459 N HIS D 17 4.084 -3.168 12.931 1.00 10.00 N ATOM 1460 CA HIS D 17 5.388 -3.093 12.268 1.00 10.00 C ATOM 1461 C HIS D 17 6.515 -3.695 13.132 1.00 10.00 C ATOM 1462 O HIS D 17 7.224 -4.598 12.694 1.00 10.00 O ATOM 1463 CB HIS D 17 5.640 -1.622 11.900 1.00 10.00 C ATOM 1464 CG HIS D 17 7.060 -1.258 11.551 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.709 -0.115 11.965 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.950 -2.005 10.826 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.970 -0.182 11.505 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.166 -1.316 10.813 1.00 10.00 N ATOM 0 H HIS D 17 3.550 -2.301 12.871 1.00 10.00 H new ATOM 0 HA HIS D 17 5.383 -3.698 11.361 1.00 10.00 H new ATOM 0 HB2 HIS D 17 5.003 -1.367 11.053 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.323 -1.000 12.737 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.307 0.642 12.518 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.749 -2.954 10.351 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.724 0.574 11.670 1.00 10.00 H new ATOM 1476 N ARG D 18 6.659 -3.217 14.369 1.00 10.00 N ATOM 1477 CA ARG D 18 7.620 -3.704 15.358 1.00 10.00 C ATOM 1478 C ARG D 18 7.509 -5.220 15.571 1.00 10.00 C ATOM 1479 O ARG D 18 8.490 -5.943 15.408 1.00 10.00 O ATOM 1480 CB ARG D 18 7.391 -2.923 16.659 1.00 10.00 C ATOM 1481 CG ARG D 18 8.381 -3.246 17.786 1.00 10.00 C ATOM 1482 CD ARG D 18 7.961 -2.514 19.069 1.00 10.00 C ATOM 1483 NE ARG D 18 7.877 -1.061 18.846 1.00 10.00 N ATOM 1484 CZ ARG D 18 6.869 -0.238 19.168 1.00 10.00 C ATOM 1485 NH1 ARG D 18 5.802 -0.635 19.862 1.00 10.00 N ATOM 1486 NH2 ARG D 18 6.936 1.033 18.783 1.00 10.00 N ATOM 0 H ARG D 18 6.087 -2.450 14.722 1.00 10.00 H new ATOM 0 HA ARG D 18 8.635 -3.536 14.999 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.446 -1.857 16.441 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.380 -3.124 17.014 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.409 -4.321 17.962 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.388 -2.944 17.497 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.995 -2.890 19.406 1.00 10.00 H new ATOM 0 HD3 ARG D 18 8.679 -2.723 19.862 1.00 10.00 H new ATOM 0 HE ARG D 18 8.682 -0.629 18.392 1.00 10.00 H new ATOM 0 HH11 ARG D 18 5.727 -1.604 20.173 1.00 10.00 H new ATOM 0 HH12 ARG D 18 5.061 0.030 20.082 1.00 10.00 H new ATOM 0 HH21 ARG D 18 7.743 1.364 18.254 1.00 10.00 H new ATOM 0 HH22 ARG D 18 6.181 1.677 19.017 1.00 10.00 H new ATOM 1500 N LYS D 19 6.321 -5.716 15.932 1.00 10.00 N ATOM 1501 CA LYS D 19 6.092 -7.141 16.167 1.00 10.00 C ATOM 1502 C LYS D 19 6.442 -7.985 14.931 1.00 10.00 C ATOM 1503 O LYS D 19 7.125 -9.002 15.038 1.00 10.00 O ATOM 1504 CB LYS D 19 4.637 -7.354 16.607 1.00 10.00 C ATOM 1505 CG LYS D 19 4.365 -8.826 16.949 1.00 10.00 C ATOM 1506 CD LYS D 19 2.944 -8.976 17.506 1.00 10.00 C ATOM 1507 CE LYS D 19 2.594 -10.448 17.757 1.00 10.00 C ATOM 1508 NZ LYS D 19 3.457 -11.050 18.789 1.00 10.00 N ATOM 0 H LYS D 19 5.492 -5.138 16.069 1.00 10.00 H new ATOM 0 HA LYS D 19 6.755 -7.478 16.964 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.423 -6.732 17.476 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.964 -7.033 15.812 1.00 10.00 H new ATOM 0 HG2 LYS D 19 4.484 -9.444 16.059 1.00 10.00 H new ATOM 0 HG3 LYS D 19 5.091 -9.179 17.681 1.00 10.00 H new ATOM 0 HD2 LYS D 19 2.855 -8.416 18.437 1.00 10.00 H new ATOM 0 HD3 LYS D 19 2.229 -8.545 16.805 1.00 10.00 H new ATOM 0 HE2 LYS D 19 1.551 -10.526 18.065 1.00 10.00 H new ATOM 0 HE3 LYS D 19 2.694 -11.009 16.828 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 3.124 -12.012 19.002 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 4.436 -11.091 18.442 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 3.420 -10.472 19.653 1.00 10.00 H new ATOM 1522 N LEU D 20 5.984 -7.557 13.754 1.00 10.00 N ATOM 1523 CA LEU D 20 6.268 -8.234 12.495 1.00 10.00 C ATOM 1524 C LEU D 20 7.774 -8.248 12.196 1.00 10.00 C ATOM 1525 O LEU D 20 8.344 -9.298 11.907 1.00 10.00 O ATOM 1526 CB LEU D 20 5.450 -7.584 11.374 1.00 10.00 C ATOM 1527 CG LEU D 20 3.936 -7.762 11.587 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.197 -6.767 10.692 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.473 -9.189 11.278 1.00 10.00 C ATOM 0 H LEU D 20 5.402 -6.726 13.650 1.00 10.00 H new ATOM 0 HA LEU D 20 5.968 -9.279 12.569 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.686 -6.521 11.322 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.735 -8.021 10.417 1.00 10.00 H new ATOM 0 HG LEU D 20 3.711 -7.575 12.637 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.122 -6.881 10.832 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.492 -5.751 10.956 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.450 -6.958 9.649 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.398 -9.266 11.443 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.699 -9.428 10.239 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.992 -9.890 11.932 1.00 10.00 H new ATOM 1541 N LYS D 21 8.453 -7.104 12.325 1.00 10.00 N ATOM 1542 CA LYS D 21 9.913 -7.039 12.254 1.00 10.00 C ATOM 1543 C LYS D 21 10.558 -8.051 13.217 1.00 10.00 C ATOM 1544 O LYS D 21 11.435 -8.822 12.829 1.00 10.00 O ATOM 1545 CB LYS D 21 10.365 -5.600 12.537 1.00 10.00 C ATOM 1546 CG LYS D 21 11.838 -5.382 12.181 1.00 10.00 C ATOM 1547 CD LYS D 21 12.192 -3.904 12.382 1.00 10.00 C ATOM 1548 CE LYS D 21 13.656 -3.655 12.008 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.010 -2.236 12.181 1.00 10.00 N ATOM 0 H LYS D 21 8.006 -6.200 12.481 1.00 10.00 H new ATOM 0 HA LYS D 21 10.244 -7.314 11.253 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.747 -4.907 11.966 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.209 -5.372 13.591 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.473 -6.009 12.808 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.022 -5.675 11.147 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.541 -3.280 11.769 1.00 10.00 H new ATOM 0 HD3 LYS D 21 12.021 -3.619 13.420 1.00 10.00 H new ATOM 0 HE2 LYS D 21 14.304 -4.274 12.629 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.827 -3.953 10.973 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.007 -2.093 11.921 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.405 -1.650 11.570 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.868 -1.961 13.174 1.00 10.00 H new ATOM 1563 N ASN D 22 10.072 -8.093 14.463 1.00 10.00 N ATOM 1564 CA ASN D 22 10.517 -9.033 15.492 1.00 10.00 C ATOM 1565 C ASN D 22 10.356 -10.514 15.090 1.00 10.00 C ATOM 1566 O ASN D 22 10.994 -11.366 15.705 1.00 10.00 O ATOM 1567 CB ASN D 22 9.809 -8.723 16.824 1.00 10.00 C ATOM 1568 CG ASN D 22 10.652 -9.016 18.064 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.780 -8.176 18.944 1.00 10.00 O ATOM 1570 ND2 ASN D 22 11.240 -10.198 18.177 1.00 10.00 N ATOM 0 H ASN D 22 9.342 -7.459 14.789 1.00 10.00 H new ATOM 0 HA ASN D 22 11.591 -8.890 15.614 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.522 -7.672 16.834 1.00 10.00 H new ATOM 0 HB3 ASN D 22 8.889 -9.305 16.878 1.00 10.00 H new ATOM 0 HD21 ASN D 22 11.803 -10.411 19.001 1.00 10.00 H new ATOM 0 HD22 ASN D 22 11.130 -10.895 17.440 1.00 10.00 H new