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: C 15 THR OG1 : rot -77:sc= 0.942 USER MOD Set 1.2: D 17 HIS : no HE2:sc= -0.0783 K(o=0.21,f=-1.9) USER MOD Set 1.3: D 21 LYS NZ :NH3+ -155:sc= -0.65 (180deg=-1.52) USER MOD Set 2.1: A 15 THR OG1 : rot -71:sc= 1.71 USER MOD Set 2.2: B 17 HIS : no HE2:sc= -0.113 K(o=1.6,f=-4.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0645) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00216) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.39) USER MOD Single : B 11 LYS NZ :NH3+ -144:sc= 0.206 (180deg=-0.319) USER MOD Single : B 12 TYR OH : rot -28:sc= 0.751 USER MOD Single : B 15 GLN : amide:sc= 0.698 K(o=0.7,f=-4!) 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= 1.22 K(o=1.2,f=-0.00078) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : C 14 LYS NZ :NH3+ 168:sc=-0.00346 (180deg=-0.141) 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+ 180:sc= 0 (180deg=0) USER MOD Single : D 12 TYR OH : rot 130:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 1.71 K(o=1.7,f=-0.12) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= -0.16! X(o=-0.16!,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.931 6.609 6.996 1.00 10.00 N ATOM 88 CA PRO A 6 -5.173 6.727 6.240 1.00 10.00 C ATOM 89 C PRO A 6 -6.184 5.653 6.673 1.00 10.00 C ATOM 90 O PRO A 6 -5.780 4.556 7.055 1.00 10.00 O ATOM 91 CB PRO A 6 -4.753 6.531 4.779 1.00 10.00 C ATOM 92 CG PRO A 6 -3.559 5.582 4.882 1.00 10.00 C ATOM 93 CD PRO A 6 -2.884 6.016 6.183 1.00 10.00 C ATOM 0 HA PRO A 6 -5.667 7.685 6.402 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.558 6.102 4.183 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.477 7.475 4.309 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.875 4.539 4.920 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.890 5.682 4.028 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.430 5.165 6.691 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.087 6.733 5.989 1.00 10.00 H new ATOM 101 N PRO A 7 -7.501 5.903 6.564 1.00 10.00 N ATOM 102 CA PRO A 7 -8.519 4.883 6.817 1.00 10.00 C ATOM 103 C PRO A 7 -8.338 3.683 5.876 1.00 10.00 C ATOM 104 O PRO A 7 -8.585 2.538 6.254 1.00 10.00 O ATOM 105 CB PRO A 7 -9.862 5.594 6.621 1.00 10.00 C ATOM 106 CG PRO A 7 -9.530 6.721 5.643 1.00 10.00 C ATOM 107 CD PRO A 7 -8.110 7.117 6.045 1.00 10.00 C ATOM 0 HA PRO A 7 -8.450 4.465 7.821 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.617 4.921 6.216 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.252 5.981 7.562 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.577 6.384 4.608 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -10.224 7.556 5.738 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.553 7.501 5.191 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -8.121 7.904 6.799 1.00 10.00 H new ATOM 115 N GLY A 8 -7.826 3.943 4.667 1.00 10.00 N ATOM 116 CA GLY A 8 -7.328 2.928 3.746 1.00 10.00 C ATOM 117 C GLY A 8 -6.428 1.881 4.415 1.00 10.00 C ATOM 118 O GLY A 8 -6.513 0.706 4.073 1.00 10.00 O ATOM 0 H GLY A 8 -7.747 4.891 4.298 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.175 2.423 3.282 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.771 3.417 2.947 1.00 10.00 H new ATOM 122 N PHE A 9 -5.578 2.271 5.376 1.00 10.00 N ATOM 123 CA PHE A 9 -4.763 1.313 6.122 1.00 10.00 C ATOM 124 C PHE A 9 -5.641 0.359 6.938 1.00 10.00 C ATOM 125 O PHE A 9 -5.503 -0.856 6.833 1.00 10.00 O ATOM 126 CB PHE A 9 -3.754 2.039 7.021 1.00 10.00 C ATOM 127 CG PHE A 9 -3.004 1.124 7.968 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.205 0.087 7.456 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.180 1.244 9.360 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.513 -0.770 8.330 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.488 0.389 10.234 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.649 -0.614 9.721 1.00 10.00 C ATOM 0 H PHE A 9 -5.440 3.243 5.652 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.204 0.715 5.402 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -3.034 2.564 6.393 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.280 2.796 7.603 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.122 -0.052 6.388 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.848 1.994 9.756 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.877 -1.548 7.933 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.601 0.503 11.302 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.109 -1.264 10.394 1.00 10.00 H new ATOM 142 N THR A 10 -6.573 0.895 7.730 1.00 10.00 N ATOM 143 CA THR A 10 -7.534 0.093 8.486 1.00 10.00 C ATOM 144 C THR A 10 -8.309 -0.859 7.563 1.00 10.00 C ATOM 145 O THR A 10 -8.395 -2.061 7.818 1.00 10.00 O ATOM 146 CB THR A 10 -8.486 1.023 9.254 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.742 2.024 9.918 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.297 0.255 10.299 1.00 10.00 C ATOM 0 H THR A 10 -6.681 1.900 7.864 1.00 10.00 H new ATOM 0 HA THR A 10 -6.993 -0.525 9.202 1.00 10.00 H new ATOM 0 HB THR A 10 -9.169 1.466 8.529 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.352 2.616 10.405 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.960 0.944 10.823 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.890 -0.515 9.805 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.620 -0.212 11.014 1.00 10.00 H new ATOM 156 N ALA A 11 -8.849 -0.325 6.463 1.00 10.00 N ATOM 157 CA ALA A 11 -9.559 -1.114 5.459 1.00 10.00 C ATOM 158 C ALA A 11 -8.672 -2.216 4.851 1.00 10.00 C ATOM 159 O ALA A 11 -9.088 -3.373 4.740 1.00 10.00 O ATOM 160 CB ALA A 11 -10.120 -0.166 4.397 1.00 10.00 C ATOM 0 H ALA A 11 -8.804 0.671 6.246 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.385 -1.641 5.936 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.653 -0.742 3.640 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.806 0.540 4.865 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.302 0.380 3.928 1.00 10.00 H new ATOM 166 N LEU A 12 -7.427 -1.879 4.493 1.00 10.00 N ATOM 167 CA LEU A 12 -6.425 -2.853 4.073 1.00 10.00 C ATOM 168 C LEU A 12 -6.242 -3.937 5.134 1.00 10.00 C ATOM 169 O LEU A 12 -6.385 -5.105 4.814 1.00 10.00 O ATOM 170 CB LEU A 12 -5.101 -2.171 3.695 1.00 10.00 C ATOM 171 CG LEU A 12 -4.078 -3.166 3.111 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.149 -2.445 2.132 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.199 -3.816 4.190 1.00 10.00 C ATOM 0 H LEU A 12 -7.089 -0.916 4.488 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.786 -3.346 3.170 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.295 -1.383 2.967 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.676 -1.692 4.577 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.658 -3.945 2.615 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.429 -3.155 1.724 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.737 -2.017 1.320 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.618 -1.649 2.654 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.498 -4.507 3.721 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.645 -3.043 4.723 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.829 -4.360 4.893 1.00 10.00 H new ATOM 185 N ILE A 13 -5.952 -3.586 6.390 1.00 10.00 N ATOM 186 CA ILE A 13 -5.787 -4.553 7.479 1.00 10.00 C ATOM 187 C ILE A 13 -6.997 -5.494 7.594 1.00 10.00 C ATOM 188 O ILE A 13 -6.832 -6.715 7.619 1.00 10.00 O ATOM 189 CB ILE A 13 -5.478 -3.819 8.800 1.00 10.00 C ATOM 190 CG1 ILE A 13 -4.074 -3.180 8.794 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.643 -4.729 10.027 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.914 -4.176 8.927 1.00 10.00 C ATOM 0 H ILE A 13 -5.824 -2.617 6.682 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.934 -5.191 7.249 1.00 10.00 H new ATOM 0 HB ILE A 13 -6.215 -3.019 8.875 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.949 -2.620 7.867 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -4.013 -2.462 9.612 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.414 -4.165 10.931 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.670 -5.092 10.076 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.962 -5.576 9.946 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.967 -3.636 8.913 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -3.008 -4.720 9.867 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.942 -4.880 8.096 1.00 10.00 H new ATOM 204 N LYS A 14 -8.217 -4.951 7.632 1.00 10.00 N ATOM 205 CA LYS A 14 -9.434 -5.764 7.689 1.00 10.00 C ATOM 206 C LYS A 14 -9.551 -6.719 6.486 1.00 10.00 C ATOM 207 O LYS A 14 -9.801 -7.914 6.651 1.00 10.00 O ATOM 208 CB LYS A 14 -10.662 -4.847 7.806 1.00 10.00 C ATOM 209 CG LYS A 14 -10.699 -4.039 9.114 1.00 10.00 C ATOM 210 CD LYS A 14 -11.093 -4.901 10.323 1.00 10.00 C ATOM 211 CE LYS A 14 -11.028 -4.098 11.627 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.005 -2.993 11.642 1.00 10.00 N ATOM 0 H LYS A 14 -8.388 -3.945 7.624 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.382 -6.397 8.575 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.673 -4.158 6.962 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.566 -5.452 7.736 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.720 -3.595 9.291 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.408 -3.217 9.011 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.102 -5.288 10.182 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -10.428 -5.762 10.390 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.217 -4.761 12.471 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.023 -3.696 11.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.025 -2.560 12.587 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.730 -2.277 10.939 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.949 -3.361 11.410 1.00 10.00 H new ATOM 226 N THR A 15 -9.354 -6.210 5.267 1.00 10.00 N ATOM 227 CA THR A 15 -9.393 -7.048 4.062 1.00 10.00 C ATOM 228 C THR A 15 -8.215 -8.034 3.964 1.00 10.00 C ATOM 229 O THR A 15 -8.383 -9.133 3.444 1.00 10.00 O ATOM 230 CB THR A 15 -9.583 -6.206 2.788 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.625 -5.174 2.668 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.975 -5.573 2.774 1.00 10.00 C ATOM 0 H THR A 15 -9.166 -5.224 5.087 1.00 10.00 H new ATOM 0 HA THR A 15 -10.277 -7.679 4.156 1.00 10.00 H new ATOM 0 HB THR A 15 -9.458 -6.889 1.948 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.808 -4.479 3.334 1.00 10.00 H new ATOM 0 HG21 THR A 15 -11.096 -4.980 1.867 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.732 -6.357 2.798 1.00 10.00 H new ATOM 0 HG23 THR A 15 -11.091 -4.930 3.646 1.00 10.00 H new ATOM 240 N LEU A 16 -7.042 -7.688 4.500 1.00 10.00 N ATOM 241 CA LEU A 16 -5.881 -8.569 4.632 1.00 10.00 C ATOM 242 C LEU A 16 -6.226 -9.734 5.551 1.00 10.00 C ATOM 243 O LEU A 16 -6.119 -10.890 5.152 1.00 10.00 O ATOM 244 CB LEU A 16 -4.661 -7.773 5.136 1.00 10.00 C ATOM 245 CG LEU A 16 -3.326 -8.537 5.065 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.173 -7.526 5.040 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.106 -9.471 6.264 1.00 10.00 C ATOM 0 H LEU A 16 -6.869 -6.752 4.867 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.616 -8.979 3.658 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.573 -6.858 4.550 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.840 -7.474 6.169 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.357 -9.147 4.162 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.223 -8.058 4.990 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.274 -6.881 4.167 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.201 -6.919 5.945 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.149 -9.981 6.157 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.105 -8.887 7.185 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.908 -10.208 6.303 1.00 10.00 H new ATOM 259 N ARG A 17 -6.680 -9.426 6.770 1.00 10.00 N ATOM 260 CA ARG A 17 -7.231 -10.405 7.699 1.00 10.00 C ATOM 261 C ARG A 17 -8.239 -11.320 6.986 1.00 10.00 C ATOM 262 O ARG A 17 -8.077 -12.537 7.003 1.00 10.00 O ATOM 263 CB ARG A 17 -7.854 -9.652 8.883 1.00 10.00 C ATOM 264 CG ARG A 17 -8.530 -10.572 9.909 1.00 10.00 C ATOM 265 CD ARG A 17 -9.423 -9.751 10.845 1.00 10.00 C ATOM 266 NE ARG A 17 -10.555 -9.173 10.101 1.00 10.00 N ATOM 267 CZ ARG A 17 -11.587 -8.511 10.628 1.00 10.00 C ATOM 268 NH1 ARG A 17 -11.660 -8.285 11.937 1.00 10.00 N ATOM 269 NH2 ARG A 17 -12.557 -8.076 9.829 1.00 10.00 N ATOM 0 H ARG A 17 -6.673 -8.475 7.140 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.444 -11.057 8.079 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.078 -9.072 9.383 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.589 -8.941 8.505 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -9.125 -11.327 9.395 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.774 -11.102 10.488 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -9.795 -10.384 11.651 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.840 -8.955 11.308 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.550 -9.290 9.088 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -10.920 -8.619 12.554 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -12.456 -7.777 12.323 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -12.507 -8.250 8.825 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -13.351 -7.569 10.220 1.00 10.00 H new ATOM 283 N LYS A 18 -9.259 -10.749 6.334 1.00 10.00 N ATOM 284 CA LYS A 18 -10.272 -11.535 5.630 1.00 10.00 C ATOM 285 C LYS A 18 -9.672 -12.459 4.552 1.00 10.00 C ATOM 286 O LYS A 18 -9.909 -13.663 4.571 1.00 10.00 O ATOM 287 CB LYS A 18 -11.347 -10.596 5.063 1.00 10.00 C ATOM 288 CG LYS A 18 -12.604 -11.326 4.565 1.00 10.00 C ATOM 289 CD LYS A 18 -13.282 -12.115 5.696 1.00 10.00 C ATOM 290 CE LYS A 18 -14.748 -12.431 5.386 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.883 -13.283 4.193 1.00 10.00 N ATOM 0 H LYS A 18 -9.402 -9.741 6.281 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.740 -12.208 6.349 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.634 -9.880 5.833 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.920 -10.024 4.240 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.307 -10.602 4.153 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.335 -12.006 3.756 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.739 -13.046 5.863 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.224 -11.542 6.621 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.201 -12.930 6.242 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.296 -11.501 5.233 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.889 -13.489 4.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.488 -12.789 3.367 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.368 -14.174 4.342 1.00 10.00 H new ATOM 305 N CYS A 19 -8.888 -11.904 3.619 1.00 10.00 N ATOM 306 CA CYS A 19 -8.274 -12.654 2.523 1.00 10.00 C ATOM 307 C CYS A 19 -7.305 -13.743 3.015 1.00 10.00 C ATOM 308 O CYS A 19 -7.374 -14.893 2.588 1.00 10.00 O ATOM 309 CB CYS A 19 -7.546 -11.685 1.580 1.00 10.00 C ATOM 310 SG CYS A 19 -6.797 -12.511 0.151 1.00 10.00 S ATOM 0 H CYS A 19 -8.661 -10.910 3.606 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.076 -13.165 1.990 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.251 -10.932 1.228 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.770 -11.160 2.137 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.204 -11.629 -0.598 1.00 10.00 H new ATOM 315 N LYS A 20 -6.361 -13.357 3.875 1.00 10.00 N ATOM 316 CA LYS A 20 -5.223 -14.177 4.280 1.00 10.00 C ATOM 317 C LYS A 20 -5.547 -15.105 5.462 1.00 10.00 C ATOM 318 O LYS A 20 -4.955 -16.175 5.583 1.00 10.00 O ATOM 319 CB LYS A 20 -4.044 -13.241 4.581 1.00 10.00 C ATOM 320 CG LYS A 20 -2.705 -13.987 4.650 1.00 10.00 C ATOM 321 CD LYS A 20 -1.526 -13.037 4.899 1.00 10.00 C ATOM 322 CE LYS A 20 -1.238 -12.151 3.680 1.00 10.00 C ATOM 323 NZ LYS A 20 -0.020 -11.348 3.882 1.00 10.00 N ATOM 0 H LYS A 20 -6.369 -12.439 4.320 1.00 10.00 H new ATOM 0 HA LYS A 20 -4.959 -14.850 3.464 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -3.989 -12.472 3.810 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.221 -12.731 5.528 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -2.745 -14.730 5.446 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -2.543 -14.528 3.717 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -1.743 -12.408 5.762 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -0.637 -13.618 5.144 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.123 -12.774 2.793 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.086 -11.491 3.498 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 0.408 -11.128 2.960 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -0.265 -10.463 4.370 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 0.658 -11.885 4.459 1.00 10.00 H new ATOM 337 N ILE A 21 -6.471 -14.702 6.345 1.00 10.00 N ATOM 338 CA ILE A 21 -6.926 -15.462 7.512 1.00 10.00 C ATOM 339 C ILE A 21 -5.849 -15.540 8.606 1.00 10.00 C ATOM 340 O ILE A 21 -6.038 -14.992 9.691 1.00 10.00 O ATOM 341 CB ILE A 21 -7.523 -16.832 7.117 1.00 10.00 C ATOM 342 CG1 ILE A 21 -8.615 -16.641 6.043 1.00 10.00 C ATOM 343 CG2 ILE A 21 -8.108 -17.523 8.359 1.00 10.00 C ATOM 344 CD1 ILE A 21 -9.241 -17.956 5.569 1.00 10.00 C ATOM 0 H ILE A 21 -6.940 -13.800 6.260 1.00 10.00 H new ATOM 0 HA ILE A 21 -7.751 -14.910 7.961 1.00 10.00 H new ATOM 0 HB ILE A 21 -6.735 -17.461 6.704 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -9.399 -15.998 6.443 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -8.184 -16.123 5.186 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -8.527 -18.488 8.075 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -7.320 -17.673 9.097 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -8.892 -16.899 8.787 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.000 -17.747 4.815 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -8.468 -18.593 5.139 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -9.701 -18.466 6.415 1.00 10.00 H new ATOM 356 N ILE A 22 -4.723 -16.210 8.339 1.00 10.00 N ATOM 357 CA ILE A 22 -3.613 -16.338 9.289 1.00 10.00 C ATOM 358 C ILE A 22 -2.571 -15.217 9.144 1.00 10.00 C ATOM 359 O ILE A 22 -2.607 -14.505 8.114 1.00 10.00 O ATOM 360 CB ILE A 22 -2.986 -17.749 9.254 1.00 10.00 C ATOM 361 CG1 ILE A 22 -1.943 -18.000 8.148 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.064 -18.842 9.271 1.00 10.00 C ATOM 363 CD1 ILE A 22 -2.442 -17.798 6.718 1.00 10.00 C ATOM 364 OXT ILE A 22 -1.744 -15.087 10.074 1.00 10.00 O ATOM 0 H ILE A 22 -4.555 -16.682 7.451 1.00 10.00 H new ATOM 0 HA ILE A 22 -4.039 -16.212 10.284 1.00 10.00 H new ATOM 0 HB ILE A 22 -2.405 -17.801 10.175 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -1.094 -17.337 8.316 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -1.574 -19.021 8.245 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.588 -19.822 9.246 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.660 -18.751 10.179 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -4.710 -18.729 8.400 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.631 -18.000 6.018 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.269 -18.480 6.522 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -2.782 -16.770 6.593 1.00 10.00 H new ATOM 465 N ILE B 7 3.161 8.728 -3.873 1.00 10.00 N ATOM 466 CA ILE B 7 2.319 8.121 -4.907 1.00 10.00 C ATOM 467 C ILE B 7 2.546 6.608 -5.017 1.00 10.00 C ATOM 468 O ILE B 7 1.587 5.854 -5.156 1.00 10.00 O ATOM 469 CB ILE B 7 2.339 8.865 -6.260 1.00 10.00 C ATOM 470 CG1 ILE B 7 3.495 8.522 -7.216 1.00 10.00 C ATOM 471 CG2 ILE B 7 2.180 10.381 -6.074 1.00 10.00 C ATOM 472 CD1 ILE B 7 4.861 9.014 -6.748 1.00 10.00 C ATOM 0 HA ILE B 7 1.291 8.247 -4.568 1.00 10.00 H new ATOM 0 HB ILE B 7 1.463 8.475 -6.779 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.536 7.440 -7.345 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.282 8.952 -8.195 1.00 10.00 H new ATOM 0 HG21 ILE B 7 2.199 10.871 -7.047 1.00 10.00 H new ATOM 0 HG22 ILE B 7 1.230 10.589 -5.581 1.00 10.00 H new ATOM 0 HG23 ILE B 7 2.998 10.760 -5.461 1.00 10.00 H new ATOM 0 HD11 ILE B 7 5.619 8.731 -7.478 1.00 10.00 H new ATOM 0 HD12 ILE B 7 4.842 10.099 -6.647 1.00 10.00 H new ATOM 0 HD13 ILE B 7 5.099 8.564 -5.784 1.00 10.00 H new ATOM 484 N GLU B 8 3.797 6.147 -4.900 1.00 10.00 N ATOM 485 CA GLU B 8 4.106 4.722 -4.885 1.00 10.00 C ATOM 486 C GLU B 8 3.403 4.001 -3.722 1.00 10.00 C ATOM 487 O GLU B 8 2.670 3.037 -3.936 1.00 10.00 O ATOM 488 CB GLU B 8 5.631 4.543 -4.861 1.00 10.00 C ATOM 489 CG GLU B 8 6.051 3.063 -4.900 1.00 10.00 C ATOM 490 CD GLU B 8 5.463 2.300 -6.085 1.00 10.00 C ATOM 491 OE1 GLU B 8 5.581 2.820 -7.217 1.00 10.00 O ATOM 492 OE2 GLU B 8 4.893 1.215 -5.838 1.00 10.00 O ATOM 0 H GLU B 8 4.615 6.751 -4.814 1.00 10.00 H new ATOM 0 HA GLU B 8 3.720 4.255 -5.791 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.068 5.064 -5.713 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.034 5.008 -3.961 1.00 10.00 H new ATOM 0 HG2 GLU B 8 7.139 3.002 -4.941 1.00 10.00 H new ATOM 0 HG3 GLU B 8 5.739 2.579 -3.974 1.00 10.00 H new ATOM 499 N ALA B 9 3.599 4.487 -2.493 1.00 10.00 N ATOM 500 CA ALA B 9 2.942 3.970 -1.296 1.00 10.00 C ATOM 501 C ALA B 9 1.412 3.976 -1.432 1.00 10.00 C ATOM 502 O ALA B 9 0.753 3.017 -1.035 1.00 10.00 O ATOM 503 CB ALA B 9 3.395 4.783 -0.079 1.00 10.00 C ATOM 0 H ALA B 9 4.231 5.265 -2.302 1.00 10.00 H new ATOM 0 HA ALA B 9 3.235 2.929 -1.162 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.906 4.400 0.817 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.476 4.699 0.033 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.125 5.830 -0.220 1.00 10.00 H new ATOM 509 N ARG B 10 0.844 5.038 -2.010 1.00 10.00 N ATOM 510 CA ARG B 10 -0.589 5.138 -2.262 1.00 10.00 C ATOM 511 C ARG B 10 -1.077 4.100 -3.286 1.00 10.00 C ATOM 512 O ARG B 10 -2.057 3.401 -3.037 1.00 10.00 O ATOM 513 CB ARG B 10 -0.946 6.567 -2.690 1.00 10.00 C ATOM 514 CG ARG B 10 -2.454 6.782 -2.540 1.00 10.00 C ATOM 515 CD ARG B 10 -2.881 8.135 -3.113 1.00 10.00 C ATOM 516 NE ARG B 10 -4.282 8.416 -2.768 1.00 10.00 N ATOM 517 CZ ARG B 10 -5.358 7.779 -3.241 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.246 6.850 -4.188 1.00 10.00 N ATOM 519 NH2 ARG B 10 -6.557 8.072 -2.746 1.00 10.00 N ATOM 0 H ARG B 10 1.372 5.855 -2.317 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.110 4.912 -1.332 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.402 7.288 -2.079 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -0.645 6.734 -3.724 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -2.990 5.982 -3.051 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -2.729 6.728 -1.487 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.238 8.923 -2.721 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -2.759 8.134 -4.196 1.00 10.00 H new ATOM 0 HE ARG B 10 -4.450 9.171 -2.103 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -4.328 6.614 -4.565 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -6.078 6.374 -4.537 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -6.648 8.776 -2.014 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -7.385 7.593 -3.099 1.00 10.00 H new ATOM 533 N LYS B 11 -0.406 3.978 -4.437 1.00 10.00 N ATOM 534 CA LYS B 11 -0.709 2.942 -5.426 1.00 10.00 C ATOM 535 C LYS B 11 -0.632 1.542 -4.801 1.00 10.00 C ATOM 536 O LYS B 11 -1.572 0.759 -4.913 1.00 10.00 O ATOM 537 CB LYS B 11 0.247 3.055 -6.622 1.00 10.00 C ATOM 538 CG LYS B 11 -0.099 4.248 -7.523 1.00 10.00 C ATOM 539 CD LYS B 11 0.737 4.286 -8.814 1.00 10.00 C ATOM 540 CE LYS B 11 2.246 4.428 -8.566 1.00 10.00 C ATOM 541 NZ LYS B 11 2.908 3.119 -8.402 1.00 10.00 N ATOM 0 H LYS B 11 0.361 4.594 -4.707 1.00 10.00 H new ATOM 0 HA LYS B 11 -1.729 3.094 -5.778 1.00 10.00 H new ATOM 0 HB2 LYS B 11 1.270 3.159 -6.260 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.207 2.136 -7.206 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -1.157 4.206 -7.782 1.00 10.00 H new ATOM 0 HG3 LYS B 11 0.057 5.173 -6.968 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.555 3.373 -9.382 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.399 5.118 -9.431 1.00 10.00 H new ATOM 0 HE2 LYS B 11 2.701 4.962 -9.400 1.00 10.00 H new ATOM 0 HE3 LYS B 11 2.411 5.031 -7.673 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 3.665 3.199 -7.693 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 2.211 2.415 -8.086 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 3.315 2.820 -9.311 1.00 10.00 H new ATOM 555 N TYR B 12 0.476 1.245 -4.118 1.00 10.00 N ATOM 556 CA TYR B 12 0.689 0.022 -3.346 1.00 10.00 C ATOM 557 C TYR B 12 -0.488 -0.247 -2.387 1.00 10.00 C ATOM 558 O TYR B 12 -1.161 -1.269 -2.506 1.00 10.00 O ATOM 559 CB TYR B 12 2.050 0.175 -2.650 1.00 10.00 C ATOM 560 CG TYR B 12 2.536 -0.950 -1.755 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.249 -0.892 -0.380 1.00 10.00 C ATOM 562 CD2 TYR B 12 3.559 -1.804 -2.207 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.038 -1.595 0.545 1.00 10.00 C ATOM 564 CE2 TYR B 12 4.336 -2.526 -1.282 1.00 10.00 C ATOM 565 CZ TYR B 12 4.121 -2.366 0.096 1.00 10.00 C ATOM 566 OH TYR B 12 5.033 -2.868 0.976 1.00 10.00 O ATOM 0 H TYR B 12 1.278 1.874 -4.087 1.00 10.00 H new ATOM 0 HA TYR B 12 0.716 -0.863 -3.982 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.802 0.332 -3.423 1.00 10.00 H new ATOM 0 HB3 TYR B 12 2.015 1.084 -2.050 1.00 10.00 H new ATOM 0 HD1 TYR B 12 1.414 -0.302 -0.032 1.00 10.00 H new ATOM 0 HD2 TYR B 12 3.748 -1.906 -3.265 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.812 -1.542 1.600 1.00 10.00 H new ATOM 0 HE2 TYR B 12 5.099 -3.205 -1.633 1.00 10.00 H new ATOM 0 HH TYR B 12 5.087 -2.283 1.760 1.00 10.00 H new ATOM 576 N LEU B 13 -0.776 0.691 -1.475 1.00 10.00 N ATOM 577 CA LEU B 13 -1.934 0.666 -0.576 1.00 10.00 C ATOM 578 C LEU B 13 -3.236 0.323 -1.314 1.00 10.00 C ATOM 579 O LEU B 13 -3.896 -0.669 -1.003 1.00 10.00 O ATOM 580 CB LEU B 13 -2.029 2.032 0.132 1.00 10.00 C ATOM 581 CG LEU B 13 -3.286 2.266 0.986 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.428 1.219 2.091 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.203 3.658 1.623 1.00 10.00 C ATOM 0 H LEU B 13 -0.189 1.514 -1.339 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.795 -0.124 0.162 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.154 2.149 0.771 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.978 2.815 -0.625 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.156 2.187 0.335 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -4.329 1.421 2.670 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.499 0.227 1.645 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.558 1.261 2.746 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.091 3.833 2.231 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.315 3.718 2.252 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.145 4.414 0.840 1.00 10.00 H new ATOM 595 N GLU B 14 -3.603 1.152 -2.291 1.00 10.00 N ATOM 596 CA GLU B 14 -4.845 1.029 -3.038 1.00 10.00 C ATOM 597 C GLU B 14 -4.949 -0.334 -3.745 1.00 10.00 C ATOM 598 O GLU B 14 -5.939 -1.045 -3.587 1.00 10.00 O ATOM 599 CB GLU B 14 -4.938 2.223 -3.999 1.00 10.00 C ATOM 600 CG GLU B 14 -6.332 2.355 -4.628 1.00 10.00 C ATOM 601 CD GLU B 14 -6.428 3.588 -5.523 1.00 10.00 C ATOM 602 OE1 GLU B 14 -6.782 4.660 -4.984 1.00 10.00 O ATOM 603 OE2 GLU B 14 -6.133 3.434 -6.727 1.00 10.00 O ATOM 0 H GLU B 14 -3.031 1.942 -2.588 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.701 1.057 -2.364 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -4.696 3.140 -3.461 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.195 2.111 -4.788 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.555 1.462 -5.212 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.083 2.416 -3.841 1.00 10.00 H new ATOM 610 N GLN B 15 -3.921 -0.718 -4.507 1.00 10.00 N ATOM 611 CA GLN B 15 -3.884 -1.982 -5.234 1.00 10.00 C ATOM 612 C GLN B 15 -3.943 -3.195 -4.295 1.00 10.00 C ATOM 613 O GLN B 15 -4.704 -4.133 -4.550 1.00 10.00 O ATOM 614 CB GLN B 15 -2.646 -2.019 -6.142 1.00 10.00 C ATOM 615 CG GLN B 15 -2.545 -3.304 -6.985 1.00 10.00 C ATOM 616 CD GLN B 15 -3.772 -3.542 -7.860 1.00 10.00 C ATOM 617 OE1 GLN B 15 -3.845 -3.080 -8.994 1.00 10.00 O ATOM 618 NE2 GLN B 15 -4.775 -4.234 -7.340 1.00 10.00 N ATOM 0 H GLN B 15 -3.083 -0.151 -4.635 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.776 -2.045 -5.857 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.667 -1.157 -6.808 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.751 -1.925 -5.527 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -1.660 -3.248 -7.618 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.408 -4.158 -6.321 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -4.699 -4.612 -6.396 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -5.624 -4.389 -7.884 1.00 10.00 H new ATOM 627 N LEU B 16 -3.153 -3.192 -3.217 1.00 10.00 N ATOM 628 CA LEU B 16 -3.229 -4.241 -2.203 1.00 10.00 C ATOM 629 C LEU B 16 -4.643 -4.330 -1.625 1.00 10.00 C ATOM 630 O LEU B 16 -5.268 -5.384 -1.698 1.00 10.00 O ATOM 631 CB LEU B 16 -2.203 -3.991 -1.091 1.00 10.00 C ATOM 632 CG LEU B 16 -0.750 -4.236 -1.526 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.175 -3.644 -0.459 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.441 -5.730 -1.678 1.00 10.00 C ATOM 0 H LEU B 16 -2.454 -2.474 -3.027 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.994 -5.194 -2.677 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -2.300 -2.963 -0.743 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.433 -4.637 -0.244 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.596 -3.764 -2.496 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.214 -3.806 -0.747 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -0.013 -2.574 -0.367 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.016 -4.129 0.498 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.597 -5.857 -1.987 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.600 -6.233 -0.724 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -1.099 -6.163 -2.431 1.00 10.00 H new ATOM 646 N HIS B 17 -5.171 -3.228 -1.083 1.00 10.00 N ATOM 647 CA HIS B 17 -6.522 -3.206 -0.530 1.00 10.00 C ATOM 648 C HIS B 17 -7.568 -3.714 -1.535 1.00 10.00 C ATOM 649 O HIS B 17 -8.391 -4.557 -1.187 1.00 10.00 O ATOM 650 CB HIS B 17 -6.857 -1.802 -0.026 1.00 10.00 C ATOM 651 CG HIS B 17 -8.230 -1.706 0.589 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.905 -2.704 1.264 1.00 10.00 N ATOM 653 CD2 HIS B 17 -9.070 -0.629 0.493 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.124 -2.227 1.563 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.272 -0.970 1.116 1.00 10.00 N ATOM 0 H HIS B 17 -4.678 -2.338 -1.017 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.553 -3.894 0.315 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -6.113 -1.500 0.711 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.787 -1.098 -0.856 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.545 -3.630 1.493 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.843 0.315 0.020 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.885 -2.781 2.093 1.00 10.00 H new ATOM 663 N ARG B 18 -7.521 -3.241 -2.785 1.00 10.00 N ATOM 664 CA ARG B 18 -8.355 -3.756 -3.869 1.00 10.00 C ATOM 665 C ARG B 18 -8.244 -5.281 -4.012 1.00 10.00 C ATOM 666 O ARG B 18 -9.259 -5.972 -3.969 1.00 10.00 O ATOM 667 CB ARG B 18 -7.994 -3.065 -5.190 1.00 10.00 C ATOM 668 CG ARG B 18 -8.601 -1.660 -5.299 1.00 10.00 C ATOM 669 CD ARG B 18 -7.933 -0.884 -6.439 1.00 10.00 C ATOM 670 NE ARG B 18 -7.945 -1.660 -7.691 1.00 10.00 N ATOM 671 CZ ARG B 18 -6.891 -1.884 -8.484 1.00 10.00 C ATOM 672 NH1 ARG B 18 -5.765 -1.187 -8.370 1.00 10.00 N ATOM 673 NH2 ARG B 18 -6.950 -2.840 -9.405 1.00 10.00 N ATOM 0 H ARG B 18 -6.899 -2.486 -3.072 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.392 -3.532 -3.618 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -6.910 -2.997 -5.277 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -8.343 -3.675 -6.023 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.674 -1.732 -5.478 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.470 -1.125 -4.359 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -8.451 0.063 -6.590 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -6.905 -0.645 -6.166 1.00 10.00 H new ATOM 0 HE ARG B 18 -8.837 -2.063 -7.979 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -5.687 -0.457 -7.662 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -4.979 -1.382 -8.990 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -7.797 -3.400 -9.505 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -6.149 -3.014 -10.012 1.00 10.00 H new ATOM 687 N LYS B 19 -7.033 -5.821 -4.191 1.00 10.00 N ATOM 688 CA LYS B 19 -6.828 -7.266 -4.334 1.00 10.00 C ATOM 689 C LYS B 19 -7.401 -8.023 -3.123 1.00 10.00 C ATOM 690 O LYS B 19 -8.259 -8.895 -3.263 1.00 10.00 O ATOM 691 CB LYS B 19 -5.330 -7.538 -4.557 1.00 10.00 C ATOM 692 CG LYS B 19 -5.003 -8.937 -5.106 1.00 10.00 C ATOM 693 CD LYS B 19 -5.253 -10.074 -4.106 1.00 10.00 C ATOM 694 CE LYS B 19 -4.619 -11.378 -4.595 1.00 10.00 C ATOM 695 NZ LYS B 19 -4.887 -12.475 -3.649 1.00 10.00 N ATOM 0 H LYS B 19 -6.174 -5.273 -4.240 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.370 -7.638 -5.203 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.939 -6.791 -5.248 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.806 -7.403 -3.611 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.602 -9.115 -5.999 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -3.957 -8.960 -5.413 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -4.840 -9.806 -3.133 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -6.325 -10.215 -3.969 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -5.015 -11.634 -5.578 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -3.543 -11.245 -4.709 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -4.448 -13.350 -3.999 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -4.488 -12.236 -2.719 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -5.914 -12.614 -3.560 1.00 10.00 H new ATOM 709 N LEU B 20 -6.948 -7.653 -1.923 1.00 10.00 N ATOM 710 CA LEU B 20 -7.412 -8.194 -0.648 1.00 10.00 C ATOM 711 C LEU B 20 -8.946 -8.182 -0.538 1.00 10.00 C ATOM 712 O LEU B 20 -9.557 -9.189 -0.189 1.00 10.00 O ATOM 713 CB LEU B 20 -6.740 -7.407 0.482 1.00 10.00 C ATOM 714 CG LEU B 20 -5.328 -7.903 0.845 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.418 -8.320 -0.319 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.633 -6.802 1.648 1.00 10.00 C ATOM 0 H LEU B 20 -6.223 -6.944 -1.811 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.128 -9.244 -0.573 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.681 -6.358 0.193 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.370 -7.458 1.370 1.00 10.00 H new ATOM 0 HG LEU B 20 -5.484 -8.824 1.406 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.455 -8.648 0.072 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.884 -9.137 -0.870 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.269 -7.471 -0.986 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.629 -7.128 1.919 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.570 -5.896 1.045 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.204 -6.596 2.553 1.00 10.00 H new ATOM 728 N LYS B 21 -9.589 -7.059 -0.866 1.00 10.00 N ATOM 729 CA LYS B 21 -11.045 -6.970 -0.937 1.00 10.00 C ATOM 730 C LYS B 21 -11.620 -7.965 -1.959 1.00 10.00 C ATOM 731 O LYS B 21 -12.521 -8.739 -1.640 1.00 10.00 O ATOM 732 CB LYS B 21 -11.440 -5.520 -1.254 1.00 10.00 C ATOM 733 CG LYS B 21 -12.954 -5.302 -1.157 1.00 10.00 C ATOM 734 CD LYS B 21 -13.271 -3.822 -1.400 1.00 10.00 C ATOM 735 CE LYS B 21 -14.779 -3.582 -1.299 1.00 10.00 C ATOM 736 NZ LYS B 21 -15.104 -2.163 -1.527 1.00 10.00 N ATOM 0 H LYS B 21 -9.112 -6.186 -1.090 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.474 -7.247 0.026 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.932 -4.847 -0.563 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.100 -5.263 -2.257 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.470 -5.921 -1.891 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.314 -5.606 -0.174 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.747 -3.206 -0.669 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.913 -3.523 -2.385 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.299 -4.200 -2.031 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.134 -3.887 -0.315 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -16.132 -2.026 -1.453 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.625 -1.578 -0.813 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.785 -1.882 -2.476 1.00 10.00 H new ATOM 750 N ASN B 22 -11.083 -7.969 -3.185 1.00 10.00 N ATOM 751 CA ASN B 22 -11.516 -8.863 -4.261 1.00 10.00 C ATOM 752 C ASN B 22 -11.376 -10.354 -3.914 1.00 10.00 C ATOM 753 O ASN B 22 -12.119 -11.165 -4.463 1.00 10.00 O ATOM 754 CB ASN B 22 -10.805 -8.521 -5.578 1.00 10.00 C ATOM 755 CG ASN B 22 -11.486 -7.370 -6.312 1.00 10.00 C ATOM 756 OD1 ASN B 22 -12.216 -7.578 -7.272 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.268 -6.137 -5.884 1.00 10.00 N ATOM 0 H ASN B 22 -10.326 -7.343 -3.459 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.585 -8.691 -4.390 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.768 -8.257 -5.372 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.788 -9.401 -6.220 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.710 -5.348 -6.355 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.658 -5.976 -5.083 1.00 10.00 H new ATOM 914 N PRO C 7 5.576 5.985 5.373 1.00 10.00 N ATOM 915 CA PRO C 7 6.484 4.942 4.895 1.00 10.00 C ATOM 916 C PRO C 7 6.484 3.725 5.834 1.00 10.00 C ATOM 917 O PRO C 7 6.621 2.584 5.394 1.00 10.00 O ATOM 918 CB PRO C 7 7.857 5.616 4.806 1.00 10.00 C ATOM 919 CG PRO C 7 7.777 6.731 5.848 1.00 10.00 C ATOM 920 CD PRO C 7 6.315 7.170 5.778 1.00 10.00 C ATOM 0 HA PRO C 7 6.181 4.544 3.927 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.663 4.916 5.028 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.045 6.012 3.808 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.043 6.373 6.843 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.455 7.551 5.613 1.00 10.00 H new ATOM 0 HD2 PRO C 7 5.969 7.538 6.744 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.182 7.980 5.061 1.00 10.00 H new ATOM 928 N GLY C 8 6.261 3.970 7.131 1.00 10.00 N ATOM 929 CA GLY C 8 5.998 2.940 8.130 1.00 10.00 C ATOM 930 C GLY C 8 4.955 1.906 7.684 1.00 10.00 C ATOM 931 O GLY C 8 5.125 0.723 7.955 1.00 10.00 O ATOM 0 H GLY C 8 6.259 4.913 7.519 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.930 2.426 8.364 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.656 3.416 9.049 1.00 10.00 H new ATOM 935 N PHE C 9 3.891 2.327 6.986 1.00 10.00 N ATOM 936 CA PHE C 9 2.911 1.395 6.425 1.00 10.00 C ATOM 937 C PHE C 9 3.554 0.504 5.348 1.00 10.00 C ATOM 938 O PHE C 9 3.447 -0.722 5.391 1.00 10.00 O ATOM 939 CB PHE C 9 1.693 2.165 5.890 1.00 10.00 C ATOM 940 CG PHE C 9 0.989 1.475 4.745 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.283 0.288 4.985 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.260 1.874 3.424 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.226 -0.458 3.911 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.782 1.112 2.348 1.00 10.00 C ATOM 945 CZ PHE C 9 0.049 -0.063 2.590 1.00 10.00 C ATOM 0 H PHE C 9 3.690 3.309 6.798 1.00 10.00 H new ATOM 0 HA PHE C 9 2.561 0.731 7.215 1.00 10.00 H new ATOM 0 HB2 PHE C 9 0.983 2.314 6.704 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.015 3.154 5.563 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.131 -0.053 5.998 1.00 10.00 H new ATOM 0 HD2 PHE C 9 1.837 2.768 3.238 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.828 -1.335 4.099 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.977 1.428 1.334 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.302 -0.661 1.762 1.00 10.00 H new ATOM 955 N THR C 10 4.244 1.115 4.380 1.00 10.00 N ATOM 956 CA THR C 10 4.927 0.386 3.315 1.00 10.00 C ATOM 957 C THR C 10 5.856 -0.689 3.895 1.00 10.00 C ATOM 958 O THR C 10 5.791 -1.856 3.498 1.00 10.00 O ATOM 959 CB THR C 10 5.682 1.375 2.415 1.00 10.00 C ATOM 960 OG1 THR C 10 4.829 2.451 2.084 1.00 10.00 O ATOM 961 CG2 THR C 10 6.139 0.717 1.112 1.00 10.00 C ATOM 0 H THR C 10 4.343 2.128 4.316 1.00 10.00 H new ATOM 0 HA THR C 10 4.189 -0.133 2.704 1.00 10.00 H new ATOM 0 HB THR C 10 6.558 1.719 2.965 1.00 10.00 H new ATOM 0 HG1 THR C 10 5.309 3.085 1.511 1.00 10.00 H new ATOM 0 HG21 THR C 10 6.669 1.448 0.502 1.00 10.00 H new ATOM 0 HG22 THR C 10 6.804 -0.117 1.339 1.00 10.00 H new ATOM 0 HG23 THR C 10 5.270 0.350 0.565 1.00 10.00 H new ATOM 969 N ALA C 11 6.678 -0.285 4.871 1.00 10.00 N ATOM 970 CA ALA C 11 7.581 -1.158 5.616 1.00 10.00 C ATOM 971 C ALA C 11 6.842 -2.227 6.443 1.00 10.00 C ATOM 972 O ALA C 11 7.230 -3.397 6.428 1.00 10.00 O ATOM 973 CB ALA C 11 8.484 -0.287 6.491 1.00 10.00 C ATOM 0 H ALA C 11 6.732 0.689 5.170 1.00 10.00 H new ATOM 0 HA ALA C 11 8.185 -1.721 4.904 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.166 -0.923 7.056 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.058 0.391 5.860 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.872 0.292 7.182 1.00 10.00 H new ATOM 979 N LEU C 12 5.756 -1.858 7.135 1.00 10.00 N ATOM 980 CA LEU C 12 4.856 -2.813 7.785 1.00 10.00 C ATOM 981 C LEU C 12 4.459 -3.915 6.804 1.00 10.00 C ATOM 982 O LEU C 12 4.658 -5.087 7.092 1.00 10.00 O ATOM 983 CB LEU C 12 3.637 -2.094 8.387 1.00 10.00 C ATOM 984 CG LEU C 12 2.700 -2.988 9.224 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.849 -2.083 10.117 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.727 -3.824 8.378 1.00 10.00 C ATOM 0 H LEU C 12 5.478 -0.884 7.259 1.00 10.00 H new ATOM 0 HA LEU C 12 5.379 -3.289 8.615 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.990 -1.276 9.015 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.061 -1.648 7.577 1.00 10.00 H new ATOM 0 HG LEU C 12 3.337 -3.675 9.782 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.177 -2.694 10.719 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.499 -1.504 10.773 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.264 -1.405 9.496 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.100 -4.427 9.034 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.098 -3.160 7.785 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.292 -4.478 7.714 1.00 10.00 H new ATOM 998 N ILE C 13 3.943 -3.564 5.623 1.00 10.00 N ATOM 999 CA ILE C 13 3.578 -4.569 4.623 1.00 10.00 C ATOM 1000 C ILE C 13 4.765 -5.446 4.194 1.00 10.00 C ATOM 1001 O ILE C 13 4.627 -6.668 4.166 1.00 10.00 O ATOM 1002 CB ILE C 13 2.866 -3.913 3.433 1.00 10.00 C ATOM 1003 CG1 ILE C 13 1.533 -3.259 3.838 1.00 10.00 C ATOM 1004 CG2 ILE C 13 2.649 -4.908 2.283 1.00 10.00 C ATOM 1005 CD1 ILE C 13 0.496 -4.211 4.444 1.00 10.00 C ATOM 0 H ILE C 13 3.770 -2.600 5.338 1.00 10.00 H new ATOM 0 HA ILE C 13 2.874 -5.256 5.093 1.00 10.00 H new ATOM 0 HB ILE C 13 3.527 -3.122 3.080 1.00 10.00 H new ATOM 0 HG12 ILE C 13 1.739 -2.467 4.558 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.097 -2.785 2.958 1.00 10.00 H new ATOM 0 HG21 ILE C 13 2.142 -4.406 1.459 1.00 10.00 H new ATOM 0 HG22 ILE C 13 3.613 -5.285 1.941 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.038 -5.740 2.632 1.00 10.00 H new ATOM 0 HD11 ILE C 13 -0.406 -3.654 4.695 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.252 -4.990 3.722 1.00 10.00 H new ATOM 0 HD13 ILE C 13 0.904 -4.667 5.346 1.00 10.00 H new ATOM 1017 N LYS C 14 5.933 -4.871 3.878 1.00 10.00 N ATOM 1018 CA LYS C 14 7.113 -5.685 3.556 1.00 10.00 C ATOM 1019 C LYS C 14 7.447 -6.684 4.681 1.00 10.00 C ATOM 1020 O LYS C 14 7.585 -7.887 4.455 1.00 10.00 O ATOM 1021 CB LYS C 14 8.331 -4.791 3.264 1.00 10.00 C ATOM 1022 CG LYS C 14 8.200 -3.887 2.031 1.00 10.00 C ATOM 1023 CD LYS C 14 7.950 -4.677 0.739 1.00 10.00 C ATOM 1024 CE LYS C 14 8.044 -3.774 -0.496 1.00 10.00 C ATOM 1025 NZ LYS C 14 9.427 -3.335 -0.754 1.00 10.00 N ATOM 0 H LYS C 14 6.086 -3.863 3.839 1.00 10.00 H new ATOM 0 HA LYS C 14 6.871 -6.259 2.661 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.518 -4.164 4.136 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.206 -5.428 3.136 1.00 10.00 H new ATOM 0 HG2 LYS C 14 7.381 -3.185 2.186 1.00 10.00 H new ATOM 0 HG3 LYS C 14 9.110 -3.297 1.920 1.00 10.00 H new ATOM 0 HD2 LYS C 14 8.678 -5.484 0.658 1.00 10.00 H new ATOM 0 HD3 LYS C 14 6.964 -5.140 0.779 1.00 10.00 H new ATOM 0 HE2 LYS C 14 7.665 -4.309 -1.367 1.00 10.00 H new ATOM 0 HE3 LYS C 14 7.406 -2.901 -0.356 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 9.483 -2.901 -1.698 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 9.710 -2.638 -0.035 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 10.065 -4.155 -0.711 1.00 10.00 H new ATOM 1039 N THR C 15 7.571 -6.185 5.911 1.00 10.00 N ATOM 1040 CA THR C 15 7.904 -7.006 7.074 1.00 10.00 C ATOM 1041 C THR C 15 6.812 -8.040 7.402 1.00 10.00 C ATOM 1042 O THR C 15 7.127 -9.168 7.767 1.00 10.00 O ATOM 1043 CB THR C 15 8.250 -6.121 8.276 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.199 -5.230 8.570 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.517 -5.300 8.017 1.00 10.00 C ATOM 0 H THR C 15 7.443 -5.197 6.129 1.00 10.00 H new ATOM 0 HA THR C 15 8.790 -7.588 6.822 1.00 10.00 H new ATOM 0 HB THR C 15 8.414 -6.791 9.120 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.210 -4.488 7.930 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.735 -4.683 8.889 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.354 -5.972 7.830 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.364 -4.660 7.148 1.00 10.00 H new ATOM 1053 N LEU C 16 5.534 -7.691 7.222 1.00 10.00 N ATOM 1054 CA LEU C 16 4.395 -8.609 7.296 1.00 10.00 C ATOM 1055 C LEU C 16 4.536 -9.731 6.263 1.00 10.00 C ATOM 1056 O LEU C 16 4.501 -10.908 6.618 1.00 10.00 O ATOM 1057 CB LEU C 16 3.091 -7.813 7.107 1.00 10.00 C ATOM 1058 CG LEU C 16 1.795 -8.574 7.434 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.671 -7.555 7.669 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.352 -9.502 6.297 1.00 10.00 C ATOM 0 H LEU C 16 5.256 -6.732 7.014 1.00 10.00 H new ATOM 0 HA LEU C 16 4.369 -9.085 8.276 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.136 -6.922 7.733 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.040 -7.473 6.073 1.00 10.00 H new ATOM 0 HG LEU C 16 1.992 -9.183 8.316 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.255 -8.081 7.902 1.00 10.00 H new ATOM 0 HD12 LEU C 16 0.938 -6.904 8.502 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.530 -6.955 6.770 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.433 -10.013 6.582 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.176 -8.915 5.396 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.132 -10.239 6.104 1.00 10.00 H new ATOM 1072 N ARG C 17 4.712 -9.364 4.988 1.00 10.00 N ATOM 1073 CA ARG C 17 4.932 -10.294 3.885 1.00 10.00 C ATOM 1074 C ARG C 17 6.056 -11.285 4.210 1.00 10.00 C ATOM 1075 O ARG C 17 5.868 -12.489 4.077 1.00 10.00 O ATOM 1076 CB ARG C 17 5.200 -9.491 2.603 1.00 10.00 C ATOM 1077 CG ARG C 17 5.479 -10.341 1.355 1.00 10.00 C ATOM 1078 CD ARG C 17 4.338 -11.310 1.041 1.00 10.00 C ATOM 1079 NE ARG C 17 4.316 -11.639 -0.395 1.00 10.00 N ATOM 1080 CZ ARG C 17 5.075 -12.540 -1.027 1.00 10.00 C ATOM 1081 NH1 ARG C 17 5.839 -13.410 -0.371 1.00 10.00 N ATOM 1082 NH2 ARG C 17 5.066 -12.572 -2.357 1.00 10.00 N ATOM 0 H ARG C 17 4.704 -8.388 4.692 1.00 10.00 H new ATOM 0 HA ARG C 17 4.040 -10.900 3.728 1.00 10.00 H new ATOM 0 HB2 ARG C 17 4.339 -8.852 2.405 1.00 10.00 H new ATOM 0 HB3 ARG C 17 6.052 -8.833 2.775 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.640 -9.684 0.500 1.00 10.00 H new ATOM 0 HG3 ARG C 17 6.400 -10.905 1.501 1.00 10.00 H new ATOM 0 HD2 ARG C 17 4.457 -12.222 1.626 1.00 10.00 H new ATOM 0 HD3 ARG C 17 3.386 -10.866 1.332 1.00 10.00 H new ATOM 0 HE ARG C 17 3.649 -11.123 -0.969 1.00 10.00 H new ATOM 0 HH11 ARG C 17 5.859 -13.404 0.649 1.00 10.00 H new ATOM 0 HH12 ARG C 17 6.405 -14.083 -0.888 1.00 10.00 H new ATOM 0 HH21 ARG C 17 4.486 -11.915 -2.879 1.00 10.00 H new ATOM 0 HH22 ARG C 17 5.639 -13.253 -2.855 1.00 10.00 H new ATOM 1096 N LYS C 18 7.204 -10.793 4.692 1.00 10.00 N ATOM 1097 CA LYS C 18 8.249 -11.670 5.219 1.00 10.00 C ATOM 1098 C LYS C 18 7.727 -12.565 6.359 1.00 10.00 C ATOM 1099 O LYS C 18 7.716 -13.786 6.233 1.00 10.00 O ATOM 1100 CB LYS C 18 9.459 -10.848 5.681 1.00 10.00 C ATOM 1101 CG LYS C 18 10.194 -10.182 4.514 1.00 10.00 C ATOM 1102 CD LYS C 18 11.416 -9.432 5.058 1.00 10.00 C ATOM 1103 CE LYS C 18 12.176 -8.761 3.911 1.00 10.00 C ATOM 1104 NZ LYS C 18 13.365 -8.049 4.414 1.00 10.00 N ATOM 0 H LYS C 18 7.429 -9.799 4.727 1.00 10.00 H new ATOM 0 HA LYS C 18 8.563 -12.329 4.410 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.128 -10.082 6.382 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.150 -11.496 6.220 1.00 10.00 H new ATOM 0 HG2 LYS C 18 10.505 -10.933 3.787 1.00 10.00 H new ATOM 0 HG3 LYS C 18 9.529 -9.492 3.995 1.00 10.00 H new ATOM 0 HD2 LYS C 18 11.099 -8.682 5.782 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.073 -10.125 5.584 1.00 10.00 H new ATOM 0 HE2 LYS C 18 12.478 -9.512 3.181 1.00 10.00 H new ATOM 0 HE3 LYS C 18 11.519 -8.061 3.395 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 13.864 -7.602 3.619 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 13.071 -7.318 5.093 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 14.000 -8.724 4.886 1.00 10.00 H new ATOM 1118 N CYS C 19 7.291 -11.964 7.471 1.00 10.00 N ATOM 1119 CA CYS C 19 6.882 -12.671 8.686 1.00 10.00 C ATOM 1120 C CYS C 19 5.857 -13.793 8.442 1.00 10.00 C ATOM 1121 O CYS C 19 5.975 -14.881 9.001 1.00 10.00 O ATOM 1122 CB CYS C 19 6.352 -11.663 9.710 1.00 10.00 C ATOM 1123 SG CYS C 19 6.005 -12.392 11.328 1.00 10.00 S ATOM 0 H CYS C 19 7.211 -10.950 7.552 1.00 10.00 H new ATOM 0 HA CYS C 19 7.770 -13.170 9.074 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.081 -10.862 9.830 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.440 -11.209 9.322 1.00 10.00 H new ATOM 0 HG CYS C 19 5.564 -11.472 12.133 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.638 9.022 16.334 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.475 8.622 17.125 1.00 10.00 C ATOM 1280 C ILE D 7 -2.552 7.150 17.559 1.00 10.00 C ATOM 1281 O ILE D 7 -1.540 6.456 17.559 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.257 9.583 18.309 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.412 9.537 19.327 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.030 11.008 17.781 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.196 10.486 20.510 1.00 10.00 C ATOM 0 HA ILE D 7 -1.595 8.698 16.487 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.368 9.256 18.848 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.344 9.796 18.825 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.522 8.518 19.699 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.876 11.687 18.620 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.151 11.022 17.137 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.902 11.328 17.211 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.041 10.412 21.195 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.280 10.213 21.033 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.114 11.510 20.145 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.750 6.653 17.888 1.00 10.00 N ATOM 1298 CA GLU D 8 -3.965 5.254 18.248 1.00 10.00 C ATOM 1299 C GLU D 8 -3.648 4.332 17.060 1.00 10.00 C ATOM 1300 O GLU D 8 -2.890 3.375 17.197 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.402 5.060 18.755 1.00 10.00 C ATOM 1302 CG GLU D 8 -5.711 5.937 19.977 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.149 5.753 20.452 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.024 6.435 19.877 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -7.344 4.930 21.372 1.00 10.00 O ATOM 0 H GLU D 8 -4.600 7.217 17.911 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.284 4.983 19.055 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.103 5.296 17.954 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.555 4.012 19.014 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.025 5.688 20.787 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.541 6.984 19.726 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.193 4.648 15.881 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.863 3.967 14.631 1.00 10.00 C ATOM 1314 C ALA D 9 -2.350 3.989 14.363 1.00 10.00 C ATOM 1315 O ALA D 9 -1.772 2.968 13.994 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.658 4.595 13.482 1.00 10.00 C ATOM 0 H ALA D 9 -4.882 5.392 15.770 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.146 2.917 14.712 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.412 4.087 12.549 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.725 4.494 13.680 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.403 5.651 13.398 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.696 5.136 14.580 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.241 5.251 14.470 1.00 10.00 C ATOM 1324 C ARG D 10 0.489 4.331 15.466 1.00 10.00 C ATOM 1325 O ARG D 10 1.350 3.556 15.060 1.00 10.00 O ATOM 1326 CB ARG D 10 0.180 6.726 14.568 1.00 10.00 C ATOM 1327 CG ARG D 10 1.379 7.074 13.665 1.00 10.00 C ATOM 1328 CD ARG D 10 2.666 6.298 13.972 1.00 10.00 C ATOM 1329 NE ARG D 10 3.067 6.485 15.374 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.256 6.203 15.912 1.00 10.00 C ATOM 1331 NH1 ARG D 10 5.256 5.712 15.187 1.00 10.00 N ATOM 1332 NH2 ARG D 10 4.433 6.420 17.209 1.00 10.00 N ATOM 0 H ARG D 10 -2.161 6.007 14.836 1.00 10.00 H new ATOM 0 HA ARG D 10 0.067 4.896 13.487 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.666 7.358 14.298 1.00 10.00 H new ATOM 0 HB3 ARG D 10 0.433 6.957 15.603 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.100 6.889 12.628 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.585 8.141 13.755 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.513 5.238 13.771 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.465 6.635 13.312 1.00 10.00 H new ATOM 0 HE ARG D 10 2.362 6.871 16.002 1.00 10.00 H new ATOM 0 HH11 ARG D 10 5.127 5.540 14.190 1.00 10.00 H new ATOM 0 HH12 ARG D 10 6.153 5.507 15.628 1.00 10.00 H new ATOM 0 HH21 ARG D 10 3.670 6.794 17.772 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.333 6.212 17.643 1.00 10.00 H new ATOM 1346 N LYS D 11 0.137 4.349 16.755 1.00 10.00 N ATOM 1347 CA LYS D 11 0.704 3.424 17.738 1.00 10.00 C ATOM 1348 C LYS D 11 0.484 1.948 17.356 1.00 10.00 C ATOM 1349 O LYS D 11 1.409 1.142 17.434 1.00 10.00 O ATOM 1350 CB LYS D 11 0.143 3.715 19.137 1.00 10.00 C ATOM 1351 CG LYS D 11 0.626 5.044 19.738 1.00 10.00 C ATOM 1352 CD LYS D 11 2.140 5.053 19.992 1.00 10.00 C ATOM 1353 CE LYS D 11 2.514 6.250 20.870 1.00 10.00 C ATOM 1354 NZ LYS D 11 3.977 6.381 20.989 1.00 10.00 N ATOM 0 H LYS D 11 -0.544 5.001 17.144 1.00 10.00 H new ATOM 0 HA LYS D 11 1.781 3.589 17.748 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.946 3.725 19.086 1.00 10.00 H new ATOM 0 HB3 LYS D 11 0.423 2.902 19.806 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.368 5.860 19.063 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.102 5.228 20.676 1.00 10.00 H new ATOM 0 HD2 LYS D 11 2.441 4.126 20.479 1.00 10.00 H new ATOM 0 HD3 LYS D 11 2.676 5.104 19.044 1.00 10.00 H new ATOM 0 HE2 LYS D 11 2.097 7.162 20.444 1.00 10.00 H new ATOM 0 HE3 LYS D 11 2.074 6.131 21.860 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 4.205 7.199 21.589 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 4.369 5.518 21.417 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 4.391 6.518 20.045 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.727 1.585 16.931 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.046 0.250 16.428 1.00 10.00 C ATOM 1370 C TYR D 12 -0.128 -0.142 15.256 1.00 10.00 C ATOM 1371 O TYR D 12 0.591 -1.141 15.327 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.534 0.234 16.058 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.041 -1.031 15.395 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.268 -2.187 16.165 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.429 -1.004 14.043 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.904 -3.302 15.589 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.061 -2.121 13.468 1.00 10.00 C ATOM 1378 CZ TYR D 12 -4.318 -3.257 14.248 1.00 10.00 C ATOM 1379 OH TYR D 12 -4.939 -4.331 13.692 1.00 10.00 O ATOM 0 H TYR D 12 -1.525 2.220 16.927 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.865 -0.504 17.194 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.115 0.403 16.965 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.731 1.074 15.392 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.954 -2.218 17.198 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.241 -0.124 13.446 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -4.074 -4.191 16.178 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.348 -2.104 12.427 1.00 10.00 H new ATOM 0 HH TYR D 12 -5.762 -4.039 13.247 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.118 0.675 14.195 1.00 10.00 N ATOM 1390 CA LEU D 13 0.779 0.543 13.045 1.00 10.00 C ATOM 1391 C LEU D 13 2.236 0.363 13.486 1.00 10.00 C ATOM 1392 O LEU D 13 2.896 -0.591 13.086 1.00 10.00 O ATOM 1393 CB LEU D 13 0.585 1.769 12.137 1.00 10.00 C ATOM 1394 CG LEU D 13 1.406 1.771 10.834 1.00 10.00 C ATOM 1395 CD1 LEU D 13 0.711 2.690 9.824 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.840 2.289 11.022 1.00 10.00 C ATOM 0 H LEU D 13 -0.753 1.469 14.113 1.00 10.00 H new ATOM 0 HA LEU D 13 0.532 -0.356 12.481 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.471 1.844 11.879 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.839 2.663 12.706 1.00 10.00 H new ATOM 0 HG LEU D 13 1.465 0.738 10.492 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.279 2.704 8.894 1.00 10.00 H new ATOM 0 HD12 LEU D 13 -0.296 2.321 9.629 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.655 3.700 10.230 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.364 2.264 10.067 1.00 10.00 H new ATOM 0 HD22 LEU D 13 2.811 3.313 11.394 1.00 10.00 H new ATOM 0 HD23 LEU D 13 3.364 1.657 11.739 1.00 10.00 H new ATOM 1408 N GLU D 14 2.741 1.271 14.323 1.00 10.00 N ATOM 1409 CA GLU D 14 4.089 1.233 14.870 1.00 10.00 C ATOM 1410 C GLU D 14 4.391 -0.111 15.544 1.00 10.00 C ATOM 1411 O GLU D 14 5.328 -0.801 15.156 1.00 10.00 O ATOM 1412 CB GLU D 14 4.254 2.407 15.842 1.00 10.00 C ATOM 1413 CG GLU D 14 5.622 2.387 16.541 1.00 10.00 C ATOM 1414 CD GLU D 14 5.775 3.526 17.542 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.969 3.554 18.499 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.696 4.347 17.332 1.00 10.00 O ATOM 0 H GLU D 14 2.203 2.075 14.646 1.00 10.00 H new ATOM 0 HA GLU D 14 4.811 1.331 14.060 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.137 3.346 15.300 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.463 2.371 16.591 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.751 1.434 17.055 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.411 2.455 15.792 1.00 10.00 H new ATOM 1423 N GLN D 15 3.616 -0.485 16.563 1.00 10.00 N ATOM 1424 CA GLN D 15 3.851 -1.715 17.311 1.00 10.00 C ATOM 1425 C GLN D 15 3.788 -2.953 16.402 1.00 10.00 C ATOM 1426 O GLN D 15 4.680 -3.802 16.463 1.00 10.00 O ATOM 1427 CB GLN D 15 2.887 -1.780 18.504 1.00 10.00 C ATOM 1428 CG GLN D 15 3.485 -1.139 19.771 1.00 10.00 C ATOM 1429 CD GLN D 15 4.217 0.187 19.559 1.00 10.00 C ATOM 1430 OE1 GLN D 15 5.421 0.281 19.757 1.00 10.00 O ATOM 1431 NE2 GLN D 15 3.519 1.239 19.162 1.00 10.00 N ATOM 0 H GLN D 15 2.814 0.054 16.889 1.00 10.00 H new ATOM 0 HA GLN D 15 4.865 -1.710 17.711 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.958 -1.272 18.246 1.00 10.00 H new ATOM 0 HB3 GLN D 15 2.635 -2.820 18.709 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.681 -0.979 20.489 1.00 10.00 H new ATOM 0 HG3 GLN D 15 4.179 -1.848 20.222 1.00 10.00 H new ATOM 0 HE21 GLN D 15 2.516 1.153 18.999 1.00 10.00 H new ATOM 0 HE22 GLN D 15 3.984 2.135 19.019 1.00 10.00 H new ATOM 1440 N LEU D 16 2.786 -3.039 15.517 1.00 10.00 N ATOM 1441 CA LEU D 16 2.769 -4.064 14.473 1.00 10.00 C ATOM 1442 C LEU D 16 4.077 -4.066 13.668 1.00 10.00 C ATOM 1443 O LEU D 16 4.769 -5.078 13.620 1.00 10.00 O ATOM 1444 CB LEU D 16 1.565 -3.866 13.542 1.00 10.00 C ATOM 1445 CG LEU D 16 0.211 -4.227 14.171 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -0.891 -3.798 13.197 1.00 10.00 C ATOM 1447 CD2 LEU D 16 0.077 -5.732 14.437 1.00 10.00 C ATOM 0 H LEU D 16 1.981 -2.412 15.505 1.00 10.00 H new ATOM 0 HA LEU D 16 2.677 -5.034 14.962 1.00 10.00 H new ATOM 0 HB2 LEU D 16 1.537 -2.825 13.221 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.709 -4.472 12.647 1.00 10.00 H new ATOM 0 HG LEU D 16 0.129 -3.715 15.130 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -1.866 -4.043 13.619 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -0.829 -2.723 13.028 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -0.764 -4.322 12.250 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.897 -5.938 14.882 1.00 10.00 H new ATOM 0 HD22 LEU D 16 0.169 -6.277 13.498 1.00 10.00 H new ATOM 0 HD23 LEU D 16 0.863 -6.052 15.121 1.00 10.00 H new ATOM 1459 N HIS D 17 4.435 -2.935 13.055 1.00 10.00 N ATOM 1460 CA HIS D 17 5.662 -2.784 12.281 1.00 10.00 C ATOM 1461 C HIS D 17 6.904 -3.243 13.065 1.00 10.00 C ATOM 1462 O HIS D 17 7.706 -4.008 12.542 1.00 10.00 O ATOM 1463 CB HIS D 17 5.775 -1.332 11.797 1.00 10.00 C ATOM 1464 CG HIS D 17 6.984 -1.019 10.950 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.558 0.226 10.828 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.718 -1.889 10.185 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.623 0.106 10.020 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.773 -1.166 9.620 1.00 10.00 N ATOM 0 H HIS D 17 3.869 -2.087 13.085 1.00 10.00 H new ATOM 0 HA HIS D 17 5.615 -3.438 11.410 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.880 -1.088 11.225 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.785 -0.677 12.668 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.233 1.085 11.272 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.518 -2.941 10.045 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.270 0.921 9.731 1.00 10.00 H new ATOM 1476 N ARG D 18 7.066 -2.821 14.322 1.00 10.00 N ATOM 1477 CA ARG D 18 8.154 -3.282 15.184 1.00 10.00 C ATOM 1478 C ARG D 18 8.161 -4.813 15.339 1.00 10.00 C ATOM 1479 O ARG D 18 9.175 -5.454 15.069 1.00 10.00 O ATOM 1480 CB ARG D 18 8.096 -2.576 16.547 1.00 10.00 C ATOM 1481 CG ARG D 18 8.420 -1.080 16.434 1.00 10.00 C ATOM 1482 CD ARG D 18 8.406 -0.422 17.820 1.00 10.00 C ATOM 1483 NE ARG D 18 8.426 1.047 17.728 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.452 1.811 17.341 1.00 10.00 C ATOM 1485 NH1 ARG D 18 10.635 1.275 17.056 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.293 3.129 17.241 1.00 10.00 N ATOM 0 H ARG D 18 6.444 -2.148 14.770 1.00 10.00 H new ATOM 0 HA ARG D 18 9.094 -3.016 14.702 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.102 -2.700 16.978 1.00 10.00 H new ATOM 0 HB3 ARG D 18 8.801 -3.049 17.231 1.00 10.00 H new ATOM 0 HG2 ARG D 18 9.398 -0.947 15.972 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.692 -0.592 15.786 1.00 10.00 H new ATOM 0 HD2 ARG D 18 7.517 -0.740 18.364 1.00 10.00 H new ATOM 0 HD3 ARG D 18 9.269 -0.762 18.393 1.00 10.00 H new ATOM 0 HE ARG D 18 7.567 1.533 17.987 1.00 10.00 H new ATOM 0 HH11 ARG D 18 10.770 0.267 17.131 1.00 10.00 H new ATOM 0 HH12 ARG D 18 11.408 1.872 16.762 1.00 10.00 H new ATOM 0 HH21 ARG D 18 8.391 3.552 17.459 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.073 3.716 16.946 1.00 10.00 H new ATOM 1500 N LYS D 19 7.039 -5.416 15.752 1.00 10.00 N ATOM 1501 CA LYS D 19 6.945 -6.871 15.901 1.00 10.00 C ATOM 1502 C LYS D 19 7.262 -7.609 14.588 1.00 10.00 C ATOM 1503 O LYS D 19 8.118 -8.491 14.544 1.00 10.00 O ATOM 1504 CB LYS D 19 5.554 -7.250 16.426 1.00 10.00 C ATOM 1505 CG LYS D 19 5.360 -6.796 17.880 1.00 10.00 C ATOM 1506 CD LYS D 19 4.013 -7.258 18.456 1.00 10.00 C ATOM 1507 CE LYS D 19 2.827 -6.594 17.749 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.557 -6.929 18.415 1.00 10.00 N ATOM 0 H LYS D 19 6.182 -4.916 15.989 1.00 10.00 H new ATOM 0 HA LYS D 19 7.697 -7.186 16.625 1.00 10.00 H new ATOM 0 HB2 LYS D 19 4.790 -6.795 15.796 1.00 10.00 H new ATOM 0 HB3 LYS D 19 5.420 -8.330 16.360 1.00 10.00 H new ATOM 0 HG2 LYS D 19 6.170 -7.190 18.493 1.00 10.00 H new ATOM 0 HG3 LYS D 19 5.422 -5.709 17.931 1.00 10.00 H new ATOM 0 HD2 LYS D 19 3.931 -8.341 18.362 1.00 10.00 H new ATOM 0 HD3 LYS D 19 3.976 -7.027 19.521 1.00 10.00 H new ATOM 0 HE2 LYS D 19 2.963 -5.513 17.742 1.00 10.00 H new ATOM 0 HE3 LYS D 19 2.792 -6.918 16.709 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 0.771 -6.466 17.916 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.418 -7.960 18.400 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 1.584 -6.598 19.401 1.00 10.00 H new ATOM 1522 N LEU D 20 6.587 -7.229 13.503 1.00 10.00 N ATOM 1523 CA LEU D 20 6.796 -7.776 12.165 1.00 10.00 C ATOM 1524 C LEU D 20 8.253 -7.620 11.704 1.00 10.00 C ATOM 1525 O LEU D 20 8.834 -8.554 11.155 1.00 10.00 O ATOM 1526 CB LEU D 20 5.824 -7.089 11.198 1.00 10.00 C ATOM 1527 CG LEU D 20 4.398 -7.671 11.195 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.840 -8.135 12.548 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.458 -6.611 10.613 1.00 10.00 C ATOM 0 H LEU D 20 5.861 -6.513 13.533 1.00 10.00 H new ATOM 0 HA LEU D 20 6.597 -8.848 12.182 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.769 -6.030 11.451 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.230 -7.155 10.189 1.00 10.00 H new ATOM 0 HG LEU D 20 4.459 -8.581 10.598 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.831 -8.523 12.411 1.00 10.00 H new ATOM 0 HD12 LEU D 20 4.478 -8.919 12.955 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.814 -7.293 13.239 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.439 -6.997 10.599 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.497 -5.712 11.229 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.768 -6.368 9.597 1.00 10.00 H new ATOM 1541 N LYS D 21 8.862 -6.454 11.931 1.00 10.00 N ATOM 1542 CA LYS D 21 10.267 -6.193 11.629 1.00 10.00 C ATOM 1543 C LYS D 21 11.213 -7.049 12.483 1.00 10.00 C ATOM 1544 O LYS D 21 12.234 -7.514 11.987 1.00 10.00 O ATOM 1545 CB LYS D 21 10.536 -4.696 11.795 1.00 10.00 C ATOM 1546 CG LYS D 21 11.962 -4.297 11.402 1.00 10.00 C ATOM 1547 CD LYS D 21 12.086 -2.786 11.148 1.00 10.00 C ATOM 1548 CE LYS D 21 11.689 -1.921 12.353 1.00 10.00 C ATOM 1549 NZ LYS D 21 10.232 -1.696 12.417 1.00 10.00 N ATOM 0 H LYS D 21 8.382 -5.651 12.337 1.00 10.00 H new ATOM 0 HA LYS D 21 10.468 -6.480 10.597 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.827 -4.135 11.186 1.00 10.00 H new ATOM 0 HB3 LYS D 21 10.358 -4.413 12.833 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.652 -4.590 12.194 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.257 -4.841 10.505 1.00 10.00 H new ATOM 0 HD2 LYS D 21 13.115 -2.557 10.871 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.460 -2.517 10.297 1.00 10.00 H new ATOM 0 HE2 LYS D 21 12.022 -2.405 13.271 1.00 10.00 H new ATOM 0 HE3 LYS D 21 12.202 -0.961 12.294 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 10.039 -0.817 12.938 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 9.850 -1.618 11.453 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 9.779 -2.494 12.906 1.00 10.00 H new ATOM 1563 N ASN D 22 10.883 -7.279 13.758 1.00 10.00 N ATOM 1564 CA ASN D 22 11.622 -8.221 14.598 1.00 10.00 C ATOM 1565 C ASN D 22 11.489 -9.659 14.069 1.00 10.00 C ATOM 1566 O ASN D 22 12.464 -10.406 14.079 1.00 10.00 O ATOM 1567 CB ASN D 22 11.146 -8.104 16.055 1.00 10.00 C ATOM 1568 CG ASN D 22 12.132 -8.658 17.086 1.00 10.00 C ATOM 1569 OD1 ASN D 22 12.218 -8.146 18.193 1.00 10.00 O ATOM 1570 ND2 ASN D 22 12.896 -9.698 16.776 1.00 10.00 N ATOM 0 H ASN D 22 10.104 -6.821 14.231 1.00 10.00 H new ATOM 0 HA ASN D 22 12.682 -7.968 14.563 1.00 10.00 H new ATOM 0 HB2 ASN D 22 10.955 -7.055 16.279 1.00 10.00 H new ATOM 0 HB3 ASN D 22 10.197 -8.630 16.158 1.00 10.00 H new ATOM 0 HD21 ASN D 22 13.554 -10.069 17.461 1.00 10.00 H new ATOM 0 HD22 ASN D 22 12.825 -10.126 15.853 1.00 10.00 H new