USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 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 76:sc= 1.15 USER MOD Set 1.2: D 17 HIS : no HE2:sc= -0.295 K(o=0.85,f=-4.1!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 THR OG1 : rot -72:sc= 0.926 USER MOD Set 3.2: B 17 HIS : no HE2:sc= -0.289 K(o=0.64,f=-3.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0233) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 180:sc= -0.014 USER MOD Single : B 15 GLN : amide:sc= 2.95 K(o=2.9,f=-7.1!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 0.475 X(o=0.47,f=-0.00072) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00705 USER MOD Single : C 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.051) USER MOD Single : C 18 LYS NZ :NH3+ 180:sc= 0.928 (180deg=0.928) USER MOD Single : C 19 CYS SG : rot -150:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 12 TYR OH : rot 180:sc= -0.129 USER MOD Single : D 15 GLN : amide:sc= 0.838 K(o=0.84,f=-0.043) USER MOD Single : D 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0569) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 0.0379 X(o=0.038,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.020 6.923 6.462 1.00 10.00 N ATOM 88 CA PRO A 6 -5.428 7.005 6.092 1.00 10.00 C ATOM 89 C PRO A 6 -6.189 5.717 6.454 1.00 10.00 C ATOM 90 O PRO A 6 -5.582 4.644 6.501 1.00 10.00 O ATOM 91 CB PRO A 6 -5.420 7.256 4.579 1.00 10.00 C ATOM 92 CG PRO A 6 -4.148 6.547 4.120 1.00 10.00 C ATOM 93 CD PRO A 6 -3.181 6.789 5.280 1.00 10.00 C ATOM 0 HA PRO A 6 -5.946 7.797 6.633 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -6.307 6.845 4.097 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -5.395 8.321 4.347 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -4.317 5.484 3.951 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -3.769 6.962 3.186 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.481 5.960 5.387 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.588 7.688 5.116 1.00 10.00 H new ATOM 101 N PRO A 7 -7.522 5.790 6.653 1.00 10.00 N ATOM 102 CA PRO A 7 -8.395 4.637 6.885 1.00 10.00 C ATOM 103 C PRO A 7 -8.149 3.448 5.945 1.00 10.00 C ATOM 104 O PRO A 7 -8.295 2.298 6.352 1.00 10.00 O ATOM 105 CB PRO A 7 -9.822 5.171 6.738 1.00 10.00 C ATOM 106 CG PRO A 7 -9.685 6.615 7.208 1.00 10.00 C ATOM 107 CD PRO A 7 -8.306 7.017 6.685 1.00 10.00 C ATOM 0 HA PRO A 7 -8.194 4.224 7.874 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.173 5.111 5.708 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.530 4.611 7.349 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -10.472 7.249 6.800 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.744 6.693 8.294 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -8.378 7.461 5.692 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.843 7.760 7.334 1.00 10.00 H new ATOM 115 N GLY A 8 -7.750 3.720 4.696 1.00 10.00 N ATOM 116 CA GLY A 8 -7.292 2.711 3.743 1.00 10.00 C ATOM 117 C GLY A 8 -6.329 1.683 4.357 1.00 10.00 C ATOM 118 O GLY A 8 -6.431 0.496 4.063 1.00 10.00 O ATOM 0 H GLY A 8 -7.738 4.667 4.316 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.157 2.189 3.335 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.797 3.208 2.909 1.00 10.00 H new ATOM 122 N PHE A 9 -5.415 2.118 5.231 1.00 10.00 N ATOM 123 CA PHE A 9 -4.545 1.213 5.978 1.00 10.00 C ATOM 124 C PHE A 9 -5.347 0.266 6.885 1.00 10.00 C ATOM 125 O PHE A 9 -5.200 -0.952 6.814 1.00 10.00 O ATOM 126 CB PHE A 9 -3.527 2.028 6.787 1.00 10.00 C ATOM 127 CG PHE A 9 -2.673 1.185 7.713 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.938 0.105 7.191 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.710 1.396 9.104 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.236 -0.755 8.052 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.000 0.539 9.964 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.281 -0.548 9.441 1.00 10.00 C ATOM 0 H PHE A 9 -5.260 3.105 5.438 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.011 0.584 5.265 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.877 2.568 6.098 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.058 2.775 7.376 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.913 -0.064 6.125 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.283 2.216 9.511 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.662 -1.575 7.646 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.008 0.717 11.029 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.763 -1.224 10.106 1.00 10.00 H new ATOM 142 N THR A 10 -6.226 0.813 7.727 1.00 10.00 N ATOM 143 CA THR A 10 -7.103 0.025 8.592 1.00 10.00 C ATOM 144 C THR A 10 -7.935 -0.977 7.782 1.00 10.00 C ATOM 145 O THR A 10 -8.000 -2.158 8.118 1.00 10.00 O ATOM 146 CB THR A 10 -8.003 0.971 9.401 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.231 2.031 9.926 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.676 0.244 10.567 1.00 10.00 C ATOM 0 H THR A 10 -6.349 1.821 7.828 1.00 10.00 H new ATOM 0 HA THR A 10 -6.490 -0.557 9.280 1.00 10.00 H new ATOM 0 HB THR A 10 -8.772 1.349 8.727 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.809 2.633 10.440 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.305 0.944 11.118 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.290 -0.571 10.182 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.913 -0.160 11.233 1.00 10.00 H new ATOM 156 N ALA A 11 -8.552 -0.512 6.692 1.00 10.00 N ATOM 157 CA ALA A 11 -9.332 -1.343 5.779 1.00 10.00 C ATOM 158 C ALA A 11 -8.477 -2.428 5.090 1.00 10.00 C ATOM 159 O ALA A 11 -8.905 -3.578 4.963 1.00 10.00 O ATOM 160 CB ALA A 11 -10.041 -0.429 4.781 1.00 10.00 C ATOM 0 H ALA A 11 -8.521 0.470 6.417 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.078 -1.899 6.347 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.630 -1.032 4.090 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.699 0.254 5.317 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.301 0.144 4.223 1.00 10.00 H new ATOM 166 N LEU A 12 -7.245 -2.095 4.691 1.00 10.00 N ATOM 167 CA LEU A 12 -6.259 -3.076 4.245 1.00 10.00 C ATOM 168 C LEU A 12 -6.025 -4.142 5.321 1.00 10.00 C ATOM 169 O LEU A 12 -6.186 -5.326 5.048 1.00 10.00 O ATOM 170 CB LEU A 12 -4.964 -2.373 3.810 1.00 10.00 C ATOM 171 CG LEU A 12 -3.908 -3.332 3.234 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.978 -2.533 2.321 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.034 -4.004 4.306 1.00 10.00 C ATOM 0 H LEU A 12 -6.906 -1.133 4.669 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.646 -3.599 3.371 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.204 -1.618 3.062 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.539 -1.849 4.666 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.451 -4.117 2.709 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.221 -3.196 1.902 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.557 -2.087 1.512 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.492 -1.745 2.896 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.313 -4.666 3.826 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.503 -3.240 4.874 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.665 -4.583 4.979 1.00 10.00 H new ATOM 185 N ILE A 13 -5.671 -3.748 6.548 1.00 10.00 N ATOM 186 CA ILE A 13 -5.466 -4.703 7.642 1.00 10.00 C ATOM 187 C ILE A 13 -6.716 -5.566 7.888 1.00 10.00 C ATOM 188 O ILE A 13 -6.606 -6.781 8.040 1.00 10.00 O ATOM 189 CB ILE A 13 -4.979 -3.988 8.917 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.600 -3.319 8.736 1.00 10.00 C ATOM 191 CG2 ILE A 13 -4.933 -4.958 10.107 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.436 -4.293 8.509 1.00 10.00 C ATOM 0 H ILE A 13 -5.520 -2.774 6.809 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.676 -5.392 7.342 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.703 -3.199 9.120 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.653 -2.634 7.889 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.385 -2.718 9.619 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.586 -4.429 10.995 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.931 -5.358 10.289 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.250 -5.777 9.883 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.509 -3.731 8.393 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.350 -4.963 9.365 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.621 -4.878 7.608 1.00 10.00 H new ATOM 204 N LYS A 14 -7.912 -4.969 7.892 1.00 10.00 N ATOM 205 CA LYS A 14 -9.174 -5.701 8.009 1.00 10.00 C ATOM 206 C LYS A 14 -9.327 -6.753 6.896 1.00 10.00 C ATOM 207 O LYS A 14 -9.524 -7.937 7.170 1.00 10.00 O ATOM 208 CB LYS A 14 -10.328 -4.687 8.039 1.00 10.00 C ATOM 209 CG LYS A 14 -11.700 -5.287 8.384 1.00 10.00 C ATOM 210 CD LYS A 14 -12.408 -5.925 7.178 1.00 10.00 C ATOM 211 CE LYS A 14 -13.861 -6.246 7.539 1.00 10.00 C ATOM 212 NZ LYS A 14 -14.568 -6.839 6.390 1.00 10.00 N ATOM 0 H LYS A 14 -8.031 -3.959 7.814 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.188 -6.267 8.940 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.093 -3.910 8.767 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.393 -4.202 7.065 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.574 -6.040 9.162 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -12.337 -4.505 8.798 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.377 -5.246 6.326 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.888 -6.835 6.879 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -13.887 -6.936 8.383 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -14.371 -5.336 7.855 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -15.551 -7.048 6.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -14.561 -6.169 5.595 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -14.092 -7.719 6.106 1.00 10.00 H new ATOM 226 N THR A 15 -9.234 -6.336 5.629 1.00 10.00 N ATOM 227 CA THR A 15 -9.330 -7.262 4.496 1.00 10.00 C ATOM 228 C THR A 15 -8.231 -8.334 4.515 1.00 10.00 C ATOM 229 O THR A 15 -8.508 -9.498 4.242 1.00 10.00 O ATOM 230 CB THR A 15 -9.395 -6.528 3.148 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.385 -5.552 3.018 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.751 -5.846 2.973 1.00 10.00 C ATOM 0 H THR A 15 -9.092 -5.362 5.362 1.00 10.00 H new ATOM 0 HA THR A 15 -10.277 -7.789 4.614 1.00 10.00 H new ATOM 0 HB THR A 15 -9.247 -7.286 2.379 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.590 -4.790 3.599 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.778 -5.331 2.013 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.542 -6.595 3.006 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.902 -5.124 3.776 1.00 10.00 H new ATOM 240 N LEU A 16 -7.002 -7.980 4.899 1.00 10.00 N ATOM 241 CA LEU A 16 -5.928 -8.940 5.144 1.00 10.00 C ATOM 242 C LEU A 16 -6.321 -9.957 6.222 1.00 10.00 C ATOM 243 O LEU A 16 -6.207 -11.160 6.007 1.00 10.00 O ATOM 244 CB LEU A 16 -4.634 -8.190 5.496 1.00 10.00 C ATOM 245 CG LEU A 16 -3.389 -9.098 5.535 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.160 -8.287 5.115 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.131 -9.678 6.933 1.00 10.00 C ATOM 0 H LEU A 16 -6.724 -7.010 5.049 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.750 -9.513 4.234 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.473 -7.397 4.766 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.754 -7.710 6.467 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.571 -9.927 4.851 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.277 -8.925 5.141 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.303 -7.907 4.104 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.024 -7.451 5.801 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.243 -10.310 6.907 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.976 -8.864 7.642 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.990 -10.272 7.245 1.00 10.00 H new ATOM 259 N ARG A 17 -6.806 -9.490 7.375 1.00 10.00 N ATOM 260 CA ARG A 17 -7.299 -10.353 8.444 1.00 10.00 C ATOM 261 C ARG A 17 -8.411 -11.290 7.952 1.00 10.00 C ATOM 262 O ARG A 17 -8.419 -12.470 8.297 1.00 10.00 O ATOM 263 CB ARG A 17 -7.717 -9.495 9.647 1.00 10.00 C ATOM 264 CG ARG A 17 -8.273 -10.339 10.804 1.00 10.00 C ATOM 265 CD ARG A 17 -9.805 -10.392 10.776 1.00 10.00 C ATOM 266 NE ARG A 17 -10.316 -11.387 11.730 1.00 10.00 N ATOM 267 CZ ARG A 17 -10.484 -12.689 11.477 1.00 10.00 C ATOM 268 NH1 ARG A 17 -10.099 -13.237 10.329 1.00 10.00 N ATOM 269 NH2 ARG A 17 -11.052 -13.473 12.389 1.00 10.00 N ATOM 0 H ARG A 17 -6.867 -8.495 7.592 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.495 -11.011 8.773 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.858 -8.923 9.998 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.472 -8.775 9.331 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -7.872 -11.351 10.743 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.940 -9.921 11.754 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.211 -9.410 11.018 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.145 -10.639 9.770 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.563 -11.056 12.663 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -9.661 -12.661 9.610 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -10.241 -14.234 10.167 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.358 -13.081 13.279 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -11.181 -14.467 12.198 1.00 10.00 H new ATOM 283 N LYS A 18 -9.351 -10.793 7.141 1.00 10.00 N ATOM 284 CA LYS A 18 -10.343 -11.654 6.495 1.00 10.00 C ATOM 285 C LYS A 18 -9.671 -12.709 5.598 1.00 10.00 C ATOM 286 O LYS A 18 -9.842 -13.904 5.823 1.00 10.00 O ATOM 287 CB LYS A 18 -11.377 -10.800 5.748 1.00 10.00 C ATOM 288 CG LYS A 18 -12.407 -11.683 5.027 1.00 10.00 C ATOM 289 CD LYS A 18 -13.612 -10.882 4.516 1.00 10.00 C ATOM 290 CE LYS A 18 -14.590 -10.546 5.646 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.789 -9.871 5.118 1.00 10.00 N ATOM 0 H LYS A 18 -9.444 -9.802 6.918 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.880 -12.214 7.261 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.887 -10.142 6.452 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.871 -10.161 5.024 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -11.926 -12.185 4.188 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.754 -12.461 5.707 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.265 -9.960 4.049 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -14.129 -11.454 3.746 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -14.880 -11.459 6.165 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.100 -9.905 6.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -16.438 -9.653 5.901 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -15.510 -8.989 4.643 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -16.267 -10.495 4.436 1.00 10.00 H new ATOM 305 N CYS A 19 -8.871 -12.273 4.619 1.00 10.00 N ATOM 306 CA CYS A 19 -8.098 -13.132 3.714 1.00 10.00 C ATOM 307 C CYS A 19 -7.322 -14.236 4.457 1.00 10.00 C ATOM 308 O CYS A 19 -7.310 -15.393 4.046 1.00 10.00 O ATOM 309 CB CYS A 19 -7.150 -12.243 2.900 1.00 10.00 C ATOM 310 SG CYS A 19 -6.166 -13.099 1.649 1.00 10.00 S ATOM 0 H CYS A 19 -8.739 -11.280 4.428 1.00 10.00 H new ATOM 0 HA CYS A 19 -8.790 -13.653 3.053 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.739 -11.469 2.408 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.472 -11.738 3.588 1.00 10.00 H new ATOM 0 HG CYS A 19 -5.410 -12.242 1.030 1.00 10.00 H new ATOM 315 N LYS A 20 -6.690 -13.870 5.576 1.00 10.00 N ATOM 316 CA LYS A 20 -5.922 -14.750 6.453 1.00 10.00 C ATOM 317 C LYS A 20 -6.788 -15.762 7.235 1.00 10.00 C ATOM 318 O LYS A 20 -6.245 -16.653 7.886 1.00 10.00 O ATOM 319 CB LYS A 20 -5.100 -13.845 7.388 1.00 10.00 C ATOM 320 CG LYS A 20 -4.104 -14.553 8.319 1.00 10.00 C ATOM 321 CD LYS A 20 -3.098 -15.466 7.601 1.00 10.00 C ATOM 322 CE LYS A 20 -2.289 -14.754 6.508 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.550 -13.596 7.040 1.00 10.00 N ATOM 0 H LYS A 20 -6.702 -12.906 5.908 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.271 -15.381 5.848 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.548 -13.132 6.776 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -5.792 -13.269 8.002 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -3.554 -13.799 8.882 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -4.662 -15.147 9.043 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.410 -15.883 8.336 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -3.635 -16.304 7.156 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.588 -15.457 6.059 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.961 -14.424 5.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.977 -13.172 6.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.223 -12.890 7.400 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -0.928 -13.907 7.813 1.00 10.00 H new ATOM 337 N ILE A 21 -8.121 -15.644 7.194 1.00 10.00 N ATOM 338 CA ILE A 21 -9.095 -16.502 7.879 1.00 10.00 C ATOM 339 C ILE A 21 -9.116 -16.249 9.393 1.00 10.00 C ATOM 340 O ILE A 21 -10.163 -15.931 9.956 1.00 10.00 O ATOM 341 CB ILE A 21 -8.921 -17.997 7.531 1.00 10.00 C ATOM 342 CG1 ILE A 21 -8.767 -18.261 6.021 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.095 -18.811 8.097 1.00 10.00 C ATOM 344 CD1 ILE A 21 -9.906 -17.711 5.157 1.00 10.00 C ATOM 0 H ILE A 21 -8.573 -14.907 6.653 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.077 -16.221 7.500 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.988 -18.317 7.995 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -7.828 -17.822 5.683 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -8.693 -19.336 5.859 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.963 -19.863 7.846 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.127 -18.698 9.181 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.029 -18.450 7.666 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -9.713 -17.943 4.110 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -10.847 -18.168 5.462 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -9.969 -16.630 5.283 1.00 10.00 H new ATOM 356 N ILE A 22 -7.962 -16.359 10.056 1.00 10.00 N ATOM 357 CA ILE A 22 -7.771 -15.983 11.457 1.00 10.00 C ATOM 358 C ILE A 22 -7.319 -14.520 11.604 1.00 10.00 C ATOM 359 O ILE A 22 -6.694 -14.002 10.649 1.00 10.00 O ATOM 360 CB ILE A 22 -6.800 -16.959 12.150 1.00 10.00 C ATOM 361 CG1 ILE A 22 -5.398 -16.942 11.512 1.00 10.00 C ATOM 362 CG2 ILE A 22 -7.400 -18.373 12.140 1.00 10.00 C ATOM 363 CD1 ILE A 22 -4.386 -17.782 12.297 1.00 10.00 C ATOM 364 OXT ILE A 22 -7.593 -13.949 12.682 1.00 10.00 O ATOM 0 H ILE A 22 -7.114 -16.721 9.621 1.00 10.00 H new ATOM 0 HA ILE A 22 -8.736 -16.057 11.959 1.00 10.00 H new ATOM 0 HB ILE A 22 -6.669 -16.632 13.181 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -5.463 -17.318 10.491 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -5.042 -15.913 11.452 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -6.713 -19.063 12.630 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -8.351 -18.368 12.672 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -7.562 -18.692 11.110 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -3.415 -17.736 11.804 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -4.298 -17.392 13.311 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -4.724 -18.817 12.335 1.00 10.00 H new ATOM 465 N ILE B 7 0.777 10.227 -5.299 1.00 10.00 N ATOM 466 CA ILE B 7 0.075 9.374 -6.263 1.00 10.00 C ATOM 467 C ILE B 7 0.649 7.948 -6.282 1.00 10.00 C ATOM 468 O ILE B 7 -0.104 6.978 -6.285 1.00 10.00 O ATOM 469 CB ILE B 7 -0.040 10.019 -7.659 1.00 10.00 C ATOM 470 CG1 ILE B 7 1.305 10.122 -8.395 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.735 11.383 -7.536 1.00 10.00 C ATOM 472 CD1 ILE B 7 1.186 10.758 -9.783 1.00 10.00 C ATOM 0 HA ILE B 7 -0.955 9.278 -5.919 1.00 10.00 H new ATOM 0 HB ILE B 7 -0.649 9.361 -8.279 1.00 10.00 H new ATOM 0 HG12 ILE B 7 1.998 10.709 -7.792 1.00 10.00 H new ATOM 0 HG13 ILE B 7 1.734 9.125 -8.495 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -0.817 11.840 -8.522 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.731 11.247 -7.115 1.00 10.00 H new ATOM 0 HG23 ILE B 7 -0.151 12.031 -6.883 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.170 10.801 -10.249 1.00 10.00 H new ATOM 0 HD12 ILE B 7 0.518 10.159 -10.402 1.00 10.00 H new ATOM 0 HD13 ILE B 7 0.785 11.767 -9.688 1.00 10.00 H new ATOM 484 N GLU B 8 1.977 7.817 -6.223 1.00 10.00 N ATOM 485 CA GLU B 8 2.669 6.537 -6.131 1.00 10.00 C ATOM 486 C GLU B 8 2.257 5.771 -4.862 1.00 10.00 C ATOM 487 O GLU B 8 1.786 4.637 -4.941 1.00 10.00 O ATOM 488 CB GLU B 8 4.191 6.761 -6.174 1.00 10.00 C ATOM 489 CG GLU B 8 4.712 7.303 -7.521 1.00 10.00 C ATOM 490 CD GLU B 8 4.438 8.784 -7.787 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.042 9.488 -6.831 1.00 10.00 O ATOM 492 OE2 GLU B 8 4.630 9.191 -8.950 1.00 10.00 O ATOM 0 H GLU B 8 2.610 8.616 -6.238 1.00 10.00 H new ATOM 0 HA GLU B 8 2.382 5.925 -6.986 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.467 7.459 -5.383 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.692 5.818 -5.956 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.788 7.137 -7.567 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.264 6.719 -8.325 1.00 10.00 H new ATOM 499 N ALA B 9 2.431 6.383 -3.685 1.00 10.00 N ATOM 500 CA ALA B 9 2.119 5.743 -2.409 1.00 10.00 C ATOM 501 C ALA B 9 0.631 5.356 -2.302 1.00 10.00 C ATOM 502 O ALA B 9 0.292 4.237 -1.915 1.00 10.00 O ATOM 503 CB ALA B 9 2.560 6.668 -1.273 1.00 10.00 C ATOM 0 H ALA B 9 2.791 7.333 -3.594 1.00 10.00 H new ATOM 0 HA ALA B 9 2.669 4.805 -2.336 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.332 6.201 -0.315 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.633 6.846 -1.344 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.029 7.617 -1.350 1.00 10.00 H new ATOM 509 N ARG B 10 -0.256 6.278 -2.687 1.00 10.00 N ATOM 510 CA ARG B 10 -1.695 6.062 -2.786 1.00 10.00 C ATOM 511 C ARG B 10 -2.024 4.896 -3.726 1.00 10.00 C ATOM 512 O ARG B 10 -2.754 3.987 -3.335 1.00 10.00 O ATOM 513 CB ARG B 10 -2.361 7.366 -3.251 1.00 10.00 C ATOM 514 CG ARG B 10 -3.882 7.289 -3.445 1.00 10.00 C ATOM 515 CD ARG B 10 -4.654 6.978 -2.158 1.00 10.00 C ATOM 516 NE ARG B 10 -4.702 5.532 -1.884 1.00 10.00 N ATOM 517 CZ ARG B 10 -5.512 4.948 -0.996 1.00 10.00 C ATOM 518 NH1 ARG B 10 -6.288 5.670 -0.193 1.00 10.00 N ATOM 519 NH2 ARG B 10 -5.550 3.623 -0.918 1.00 10.00 N ATOM 0 H ARG B 10 0.021 7.225 -2.946 1.00 10.00 H new ATOM 0 HA ARG B 10 -2.086 5.789 -1.806 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -2.143 8.147 -2.522 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.906 7.672 -4.193 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -4.236 8.237 -3.850 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -4.106 6.522 -4.187 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -4.184 7.491 -1.319 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -5.669 7.366 -2.241 1.00 10.00 H new ATOM 0 HE ARG B 10 -4.069 4.931 -2.412 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -6.272 6.688 -0.248 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -6.900 5.205 0.478 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -4.964 3.059 -1.533 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -6.165 3.169 -0.243 1.00 10.00 H new ATOM 533 N LYS B 11 -1.494 4.908 -4.954 1.00 10.00 N ATOM 534 CA LYS B 11 -1.679 3.831 -5.924 1.00 10.00 C ATOM 535 C LYS B 11 -1.201 2.483 -5.365 1.00 10.00 C ATOM 536 O LYS B 11 -1.910 1.484 -5.475 1.00 10.00 O ATOM 537 CB LYS B 11 -0.966 4.196 -7.233 1.00 10.00 C ATOM 538 CG LYS B 11 -1.220 3.179 -8.355 1.00 10.00 C ATOM 539 CD LYS B 11 -0.380 3.491 -9.602 1.00 10.00 C ATOM 540 CE LYS B 11 -0.722 4.854 -10.214 1.00 10.00 C ATOM 541 NZ LYS B 11 -0.011 5.053 -11.490 1.00 10.00 N ATOM 0 H LYS B 11 -0.919 5.675 -5.303 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.743 3.717 -6.130 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.299 5.181 -7.560 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.106 4.267 -7.049 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -0.984 2.176 -7.998 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -2.278 3.183 -8.618 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.677 3.470 -9.338 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.539 2.712 -10.347 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.797 4.924 -10.378 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.454 5.648 -9.516 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.259 5.983 -11.884 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.015 5.009 -11.326 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -0.287 4.308 -12.161 1.00 10.00 H new ATOM 555 N TYR B 12 -0.012 2.448 -4.756 1.00 10.00 N ATOM 556 CA TYR B 12 0.503 1.254 -4.095 1.00 10.00 C ATOM 557 C TYR B 12 -0.469 0.738 -3.021 1.00 10.00 C ATOM 558 O TYR B 12 -0.954 -0.389 -3.124 1.00 10.00 O ATOM 559 CB TYR B 12 1.900 1.545 -3.530 1.00 10.00 C ATOM 560 CG TYR B 12 2.496 0.409 -2.719 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.758 -0.830 -3.333 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.759 0.579 -1.347 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.276 -1.896 -2.576 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.274 -0.489 -0.592 1.00 10.00 C ATOM 565 CZ TYR B 12 3.531 -1.722 -1.207 1.00 10.00 C ATOM 566 OH TYR B 12 4.052 -2.743 -0.476 1.00 10.00 O ATOM 0 H TYR B 12 0.618 3.249 -4.710 1.00 10.00 H new ATOM 0 HA TYR B 12 0.592 0.451 -4.827 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.572 1.777 -4.356 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.847 2.435 -2.903 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.561 -0.962 -4.387 1.00 10.00 H new ATOM 0 HD2 TYR B 12 2.565 1.530 -0.874 1.00 10.00 H new ATOM 0 HE1 TYR B 12 3.477 -2.847 -3.047 1.00 10.00 H new ATOM 0 HE2 TYR B 12 3.472 -0.360 0.462 1.00 10.00 H new ATOM 0 HH TYR B 12 4.167 -2.454 0.453 1.00 10.00 H new ATOM 576 N LEU B 13 -0.786 1.565 -2.015 1.00 10.00 N ATOM 577 CA LEU B 13 -1.753 1.220 -0.970 1.00 10.00 C ATOM 578 C LEU B 13 -3.074 0.713 -1.567 1.00 10.00 C ATOM 579 O LEU B 13 -3.560 -0.354 -1.195 1.00 10.00 O ATOM 580 CB LEU B 13 -1.979 2.437 -0.054 1.00 10.00 C ATOM 581 CG LEU B 13 -3.081 2.234 1.006 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.752 1.106 1.985 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.281 3.521 1.808 1.00 10.00 C ATOM 0 H LEU B 13 -0.377 2.493 -1.905 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.346 0.403 -0.374 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.043 2.676 0.452 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.237 3.298 -0.670 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.988 1.967 0.464 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.560 1.006 2.709 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.638 0.171 1.437 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.823 1.337 2.507 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.061 3.367 2.554 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.349 3.787 2.307 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.575 4.327 1.136 1.00 10.00 H new ATOM 595 N GLU B 14 -3.646 1.478 -2.500 1.00 10.00 N ATOM 596 CA GLU B 14 -4.873 1.149 -3.215 1.00 10.00 C ATOM 597 C GLU B 14 -4.810 -0.253 -3.839 1.00 10.00 C ATOM 598 O GLU B 14 -5.644 -1.100 -3.538 1.00 10.00 O ATOM 599 CB GLU B 14 -5.122 2.249 -4.258 1.00 10.00 C ATOM 600 CG GLU B 14 -6.381 2.013 -5.099 1.00 10.00 C ATOM 601 CD GLU B 14 -6.524 3.073 -6.186 1.00 10.00 C ATOM 602 OE1 GLU B 14 -5.718 3.008 -7.142 1.00 10.00 O ATOM 603 OE2 GLU B 14 -7.426 3.926 -6.045 1.00 10.00 O ATOM 0 H GLU B 14 -3.251 2.374 -2.785 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.713 1.115 -2.522 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.208 3.209 -3.750 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.258 2.315 -4.920 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.337 1.024 -5.555 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.260 2.028 -4.455 1.00 10.00 H new ATOM 610 N GLN B 15 -3.822 -0.518 -4.696 1.00 10.00 N ATOM 611 CA GLN B 15 -3.680 -1.813 -5.362 1.00 10.00 C ATOM 612 C GLN B 15 -3.455 -2.959 -4.362 1.00 10.00 C ATOM 613 O GLN B 15 -4.110 -3.998 -4.456 1.00 10.00 O ATOM 614 CB GLN B 15 -2.575 -1.725 -6.426 1.00 10.00 C ATOM 615 CG GLN B 15 -3.124 -1.354 -7.817 1.00 10.00 C ATOM 616 CD GLN B 15 -4.169 -0.239 -7.836 1.00 10.00 C ATOM 617 OE1 GLN B 15 -5.302 -0.447 -8.253 1.00 10.00 O ATOM 618 NE2 GLN B 15 -3.821 0.959 -7.395 1.00 10.00 N ATOM 0 H GLN B 15 -3.100 0.157 -4.947 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.616 -2.053 -5.865 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -1.838 -0.982 -6.120 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.057 -2.682 -6.487 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -2.289 -1.056 -8.450 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.562 -2.246 -8.265 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -2.875 1.120 -7.050 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -4.499 1.721 -7.400 1.00 10.00 H new ATOM 627 N LEU B 16 -2.562 -2.773 -3.386 1.00 10.00 N ATOM 628 CA LEU B 16 -2.315 -3.771 -2.343 1.00 10.00 C ATOM 629 C LEU B 16 -3.618 -4.103 -1.584 1.00 10.00 C ATOM 630 O LEU B 16 -4.009 -5.265 -1.460 1.00 10.00 O ATOM 631 CB LEU B 16 -1.185 -3.263 -1.422 1.00 10.00 C ATOM 632 CG LEU B 16 -0.188 -4.321 -0.918 1.00 10.00 C ATOM 633 CD1 LEU B 16 -0.864 -5.432 -0.116 1.00 10.00 C ATOM 634 CD2 LEU B 16 0.653 -4.920 -2.052 1.00 10.00 C ATOM 0 H LEU B 16 -1.993 -1.931 -3.297 1.00 10.00 H new ATOM 0 HA LEU B 16 -1.984 -4.710 -2.787 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -0.627 -2.495 -1.957 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -1.640 -2.782 -0.556 1.00 10.00 H new ATOM 0 HG LEU B 16 0.484 -3.788 -0.246 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -0.114 -6.150 0.215 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -1.362 -5.002 0.753 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -1.599 -5.937 -0.742 1.00 10.00 H new ATOM 0 HD21 LEU B 16 1.340 -5.661 -1.643 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.004 -5.397 -2.779 1.00 10.00 H new ATOM 0 HD23 LEU B 16 1.221 -4.129 -2.541 1.00 10.00 H new ATOM 646 N HIS B 17 -4.335 -3.067 -1.132 1.00 10.00 N ATOM 647 CA HIS B 17 -5.642 -3.206 -0.497 1.00 10.00 C ATOM 648 C HIS B 17 -6.657 -3.911 -1.407 1.00 10.00 C ATOM 649 O HIS B 17 -7.353 -4.818 -0.953 1.00 10.00 O ATOM 650 CB HIS B 17 -6.155 -1.828 -0.064 1.00 10.00 C ATOM 651 CG HIS B 17 -7.426 -1.872 0.748 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.194 -2.985 1.026 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.059 -0.787 1.292 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.269 -2.569 1.714 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.235 -1.240 1.892 1.00 10.00 N ATOM 0 H HIS B 17 -4.017 -2.100 -1.200 1.00 10.00 H new ATOM 0 HA HIS B 17 -5.523 -3.838 0.383 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.380 -1.331 0.520 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.325 -1.220 -0.952 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -7.983 -3.946 0.758 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -7.711 0.235 1.262 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.054 -3.216 2.075 1.00 10.00 H new ATOM 663 N ARG B 18 -6.767 -3.495 -2.674 1.00 10.00 N ATOM 664 CA ARG B 18 -7.647 -4.121 -3.656 1.00 10.00 C ATOM 665 C ARG B 18 -7.360 -5.617 -3.792 1.00 10.00 C ATOM 666 O ARG B 18 -8.288 -6.416 -3.746 1.00 10.00 O ATOM 667 CB ARG B 18 -7.535 -3.416 -5.015 1.00 10.00 C ATOM 668 CG ARG B 18 -8.319 -2.101 -5.038 1.00 10.00 C ATOM 669 CD ARG B 18 -8.023 -1.344 -6.335 1.00 10.00 C ATOM 670 NE ARG B 18 -8.842 -0.126 -6.421 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.702 0.848 -7.326 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.719 0.833 -8.224 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.556 1.867 -7.321 1.00 10.00 N ATOM 0 H ARG B 18 -6.240 -2.705 -3.046 1.00 10.00 H new ATOM 0 HA ARG B 18 -8.671 -4.014 -3.298 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -6.486 -3.218 -5.237 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.908 -4.075 -5.799 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.387 -2.302 -4.959 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -8.046 -1.489 -4.178 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -6.966 -1.082 -6.376 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.226 -1.986 -7.192 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.583 -0.014 -5.729 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -7.048 0.065 -8.233 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -7.637 1.590 -8.903 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -10.307 1.899 -6.632 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -9.460 2.616 -8.006 1.00 10.00 H new ATOM 687 N LYS B 19 -6.092 -6.019 -3.927 1.00 10.00 N ATOM 688 CA LYS B 19 -5.724 -7.434 -3.943 1.00 10.00 C ATOM 689 C LYS B 19 -6.225 -8.162 -2.681 1.00 10.00 C ATOM 690 O LYS B 19 -6.920 -9.177 -2.764 1.00 10.00 O ATOM 691 CB LYS B 19 -4.204 -7.555 -4.121 1.00 10.00 C ATOM 692 CG LYS B 19 -3.766 -9.015 -4.291 1.00 10.00 C ATOM 693 CD LYS B 19 -2.253 -9.075 -4.528 1.00 10.00 C ATOM 694 CE LYS B 19 -1.805 -10.529 -4.701 1.00 10.00 C ATOM 695 NZ LYS B 19 -0.353 -10.612 -4.935 1.00 10.00 N ATOM 0 H LYS B 19 -5.303 -5.380 -4.027 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.211 -7.925 -4.785 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -3.893 -6.978 -4.992 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -3.701 -7.123 -3.256 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -4.028 -9.589 -3.402 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.294 -9.468 -5.130 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -1.993 -8.498 -5.415 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -1.727 -8.622 -3.688 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.066 -11.102 -3.811 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.338 -10.980 -5.538 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -0.076 -11.608 -5.049 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -0.110 -10.084 -5.797 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 0.153 -10.202 -4.124 1.00 10.00 H new ATOM 709 N LEU B 20 -5.895 -7.625 -1.501 1.00 10.00 N ATOM 710 CA LEU B 20 -6.318 -8.198 -0.222 1.00 10.00 C ATOM 711 C LEU B 20 -7.847 -8.236 -0.053 1.00 10.00 C ATOM 712 O LEU B 20 -8.377 -9.156 0.563 1.00 10.00 O ATOM 713 CB LEU B 20 -5.635 -7.446 0.924 1.00 10.00 C ATOM 714 CG LEU B 20 -4.116 -7.689 0.937 1.00 10.00 C ATOM 715 CD1 LEU B 20 -3.449 -6.594 1.767 1.00 10.00 C ATOM 716 CD2 LEU B 20 -3.760 -9.061 1.523 1.00 10.00 C ATOM 0 H LEU B 20 -5.328 -6.782 -1.408 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.003 -9.241 -0.203 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -5.832 -6.378 0.827 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.063 -7.764 1.875 1.00 10.00 H new ATOM 0 HG LEU B 20 -3.758 -7.667 -0.092 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -2.371 -6.756 1.784 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -3.663 -5.621 1.325 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -3.836 -6.623 2.786 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -2.678 -9.191 1.513 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.124 -9.124 2.549 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.225 -9.844 0.924 1.00 10.00 H new ATOM 728 N LYS B 21 -8.575 -7.272 -0.622 1.00 10.00 N ATOM 729 CA LYS B 21 -10.030 -7.326 -0.717 1.00 10.00 C ATOM 730 C LYS B 21 -10.482 -8.451 -1.665 1.00 10.00 C ATOM 731 O LYS B 21 -11.291 -9.296 -1.286 1.00 10.00 O ATOM 732 CB LYS B 21 -10.557 -5.950 -1.145 1.00 10.00 C ATOM 733 CG LYS B 21 -12.088 -5.886 -1.091 1.00 10.00 C ATOM 734 CD LYS B 21 -12.556 -4.473 -1.452 1.00 10.00 C ATOM 735 CE LYS B 21 -14.085 -4.397 -1.403 1.00 10.00 C ATOM 736 NZ LYS B 21 -14.559 -3.045 -1.747 1.00 10.00 N ATOM 0 H LYS B 21 -8.168 -6.431 -1.030 1.00 10.00 H new ATOM 0 HA LYS B 21 -10.453 -7.564 0.259 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.138 -5.182 -0.495 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.219 -5.730 -2.158 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -12.517 -6.610 -1.784 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.438 -6.152 -0.094 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.126 -3.751 -0.758 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.203 -4.208 -2.448 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -14.511 -5.123 -2.096 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -14.434 -4.666 -0.406 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -15.598 -3.021 -1.706 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.170 -2.358 -1.070 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.244 -2.801 -2.708 1.00 10.00 H new ATOM 750 N ASN B 22 -9.946 -8.480 -2.890 1.00 10.00 N ATOM 751 CA ASN B 22 -10.263 -9.461 -3.930 1.00 10.00 C ATOM 752 C ASN B 22 -10.051 -10.905 -3.452 1.00 10.00 C ATOM 753 O ASN B 22 -10.786 -11.797 -3.872 1.00 10.00 O ATOM 754 CB ASN B 22 -9.437 -9.155 -5.190 1.00 10.00 C ATOM 755 CG ASN B 22 -10.017 -9.711 -6.493 1.00 10.00 C ATOM 756 OD1 ASN B 22 -9.944 -9.064 -7.528 1.00 10.00 O ATOM 757 ND2 ASN B 22 -10.604 -10.901 -6.499 1.00 10.00 N ATOM 0 H ASN B 22 -9.254 -7.795 -3.194 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.323 -9.376 -4.170 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.336 -8.074 -5.287 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -8.433 -9.558 -5.055 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -10.993 -11.274 -7.365 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.666 -11.443 -5.637 1.00 10.00 H new ATOM 914 N PRO C 7 6.027 5.849 5.295 1.00 10.00 N ATOM 915 CA PRO C 7 6.978 4.798 4.937 1.00 10.00 C ATOM 916 C PRO C 7 6.790 3.575 5.837 1.00 10.00 C ATOM 917 O PRO C 7 6.938 2.439 5.390 1.00 10.00 O ATOM 918 CB PRO C 7 8.366 5.425 5.093 1.00 10.00 C ATOM 919 CG PRO C 7 8.150 6.499 6.158 1.00 10.00 C ATOM 920 CD PRO C 7 6.733 6.988 5.865 1.00 10.00 C ATOM 0 HA PRO C 7 6.833 4.439 3.918 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.106 4.690 5.408 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.721 5.854 4.156 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.237 6.092 7.166 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.881 7.304 6.075 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.244 7.335 6.775 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.746 7.827 5.170 1.00 10.00 H new ATOM 928 N GLY C 8 6.391 3.814 7.092 1.00 10.00 N ATOM 929 CA GLY C 8 5.914 2.799 8.021 1.00 10.00 C ATOM 930 C GLY C 8 4.955 1.787 7.383 1.00 10.00 C ATOM 931 O GLY C 8 5.039 0.603 7.691 1.00 10.00 O ATOM 0 H GLY C 8 6.394 4.751 7.495 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.770 2.266 8.434 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.411 3.289 8.855 1.00 10.00 H new ATOM 935 N PHE C 9 4.055 2.218 6.489 1.00 10.00 N ATOM 936 CA PHE C 9 3.164 1.294 5.788 1.00 10.00 C ATOM 937 C PHE C 9 3.952 0.317 4.902 1.00 10.00 C ATOM 938 O PHE C 9 3.861 -0.899 5.063 1.00 10.00 O ATOM 939 CB PHE C 9 2.133 2.079 4.968 1.00 10.00 C ATOM 940 CG PHE C 9 1.306 1.198 4.055 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.550 0.153 4.612 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.455 1.286 2.658 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.066 -0.794 3.779 1.00 10.00 C ATOM 944 CE2 PHE C 9 0.817 0.353 1.822 1.00 10.00 C ATOM 945 CZ PHE C 9 0.077 -0.701 2.383 1.00 10.00 C ATOM 0 H PHE C 9 3.928 3.198 6.237 1.00 10.00 H new ATOM 0 HA PHE C 9 2.635 0.697 6.531 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.469 2.614 5.647 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.649 2.830 4.369 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.443 0.078 5.684 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.060 2.071 2.228 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.650 -1.594 4.210 1.00 10.00 H new ATOM 0 HE2 PHE C 9 0.896 0.447 0.749 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.382 -1.440 1.743 1.00 10.00 H new ATOM 955 N THR C 10 4.749 0.847 3.973 1.00 10.00 N ATOM 956 CA THR C 10 5.599 0.051 3.088 1.00 10.00 C ATOM 957 C THR C 10 6.515 -0.886 3.888 1.00 10.00 C ATOM 958 O THR C 10 6.600 -2.083 3.608 1.00 10.00 O ATOM 959 CB THR C 10 6.406 1.003 2.194 1.00 10.00 C ATOM 960 OG1 THR C 10 5.544 1.978 1.639 1.00 10.00 O ATOM 961 CG2 THR C 10 7.087 0.256 1.045 1.00 10.00 C ATOM 0 H THR C 10 4.823 1.852 3.813 1.00 10.00 H new ATOM 0 HA THR C 10 4.976 -0.587 2.462 1.00 10.00 H new ATOM 0 HB THR C 10 7.171 1.468 2.816 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.061 2.586 1.070 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.649 0.963 0.434 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.767 -0.493 1.450 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.331 -0.234 0.431 1.00 10.00 H new ATOM 969 N ALA C 11 7.174 -0.344 4.916 1.00 10.00 N ATOM 970 CA ALA C 11 8.007 -1.104 5.841 1.00 10.00 C ATOM 971 C ALA C 11 7.213 -2.218 6.544 1.00 10.00 C ATOM 972 O ALA C 11 7.658 -3.366 6.577 1.00 10.00 O ATOM 973 CB ALA C 11 8.654 -0.139 6.835 1.00 10.00 C ATOM 0 H ALA C 11 7.140 0.653 5.129 1.00 10.00 H new ATOM 0 HA ALA C 11 8.793 -1.611 5.281 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.279 -0.698 7.531 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.268 0.582 6.295 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.877 0.388 7.388 1.00 10.00 H new ATOM 979 N LEU C 12 6.019 -1.911 7.062 1.00 10.00 N ATOM 980 CA LEU C 12 5.105 -2.901 7.625 1.00 10.00 C ATOM 981 C LEU C 12 4.805 -4.008 6.612 1.00 10.00 C ATOM 982 O LEU C 12 5.011 -5.173 6.929 1.00 10.00 O ATOM 983 CB LEU C 12 3.838 -2.214 8.163 1.00 10.00 C ATOM 984 CG LEU C 12 2.860 -3.141 8.908 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.953 -2.270 9.781 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.948 -3.955 7.976 1.00 10.00 C ATOM 0 H LEU C 12 5.660 -0.957 7.101 1.00 10.00 H new ATOM 0 HA LEU C 12 5.584 -3.389 8.474 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.137 -1.410 8.836 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.312 -1.751 7.328 1.00 10.00 H new ATOM 0 HG LEU C 12 3.465 -3.846 9.479 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.249 -2.904 10.320 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.560 -1.713 10.494 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.403 -1.572 9.150 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.287 -4.584 8.572 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.351 -3.276 7.367 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.558 -4.583 7.327 1.00 10.00 H new ATOM 998 N ILE C 13 4.357 -3.681 5.394 1.00 10.00 N ATOM 999 CA ILE C 13 4.093 -4.685 4.355 1.00 10.00 C ATOM 1000 C ILE C 13 5.325 -5.562 4.077 1.00 10.00 C ATOM 1001 O ILE C 13 5.232 -6.790 4.111 1.00 10.00 O ATOM 1002 CB ILE C 13 3.554 -4.022 3.073 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.179 -3.361 3.281 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.476 -5.030 1.914 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.031 -4.338 3.569 1.00 10.00 C ATOM 0 H ILE C 13 4.168 -2.722 5.102 1.00 10.00 H new ATOM 0 HA ILE C 13 3.318 -5.353 4.730 1.00 10.00 H new ATOM 0 HB ILE C 13 4.265 -3.236 2.817 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.253 -2.655 4.108 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.931 -2.784 2.390 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.092 -4.532 1.024 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.471 -5.425 1.708 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.810 -5.848 2.188 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.104 -3.781 3.701 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.923 -5.029 2.733 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.250 -4.899 4.478 1.00 10.00 H new ATOM 1017 N LYS C 14 6.490 -4.951 3.839 1.00 10.00 N ATOM 1018 CA LYS C 14 7.748 -5.685 3.692 1.00 10.00 C ATOM 1019 C LYS C 14 7.993 -6.632 4.881 1.00 10.00 C ATOM 1020 O LYS C 14 8.326 -7.805 4.710 1.00 10.00 O ATOM 1021 CB LYS C 14 8.889 -4.674 3.514 1.00 10.00 C ATOM 1022 CG LYS C 14 10.238 -5.359 3.263 1.00 10.00 C ATOM 1023 CD LYS C 14 11.317 -4.290 3.041 1.00 10.00 C ATOM 1024 CE LYS C 14 12.683 -4.920 2.744 1.00 10.00 C ATOM 1025 NZ LYS C 14 13.206 -5.665 3.902 1.00 10.00 N ATOM 0 H LYS C 14 6.586 -3.940 3.744 1.00 10.00 H new ATOM 0 HA LYS C 14 7.698 -6.321 2.808 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.659 -4.013 2.679 1.00 10.00 H new ATOM 0 HB3 LYS C 14 8.961 -4.050 4.405 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.503 -5.988 4.113 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.171 -6.011 2.392 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.025 -3.645 2.212 1.00 10.00 H new ATOM 0 HD3 LYS C 14 11.392 -3.658 3.926 1.00 10.00 H new ATOM 0 HE2 LYS C 14 12.596 -5.591 1.890 1.00 10.00 H new ATOM 0 HE3 LYS C 14 13.390 -4.139 2.465 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 14.179 -5.975 3.705 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 13.202 -5.050 4.741 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.607 -6.496 4.079 1.00 10.00 H new ATOM 1039 N THR C 15 7.799 -6.126 6.100 1.00 10.00 N ATOM 1040 CA THR C 15 7.937 -6.905 7.329 1.00 10.00 C ATOM 1041 C THR C 15 6.864 -7.999 7.451 1.00 10.00 C ATOM 1042 O THR C 15 7.129 -9.060 8.003 1.00 10.00 O ATOM 1043 CB THR C 15 7.944 -5.973 8.548 1.00 10.00 C ATOM 1044 OG1 THR C 15 8.933 -4.980 8.384 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.319 -6.728 9.817 1.00 10.00 C ATOM 0 H THR C 15 7.539 -5.153 6.262 1.00 10.00 H new ATOM 0 HA THR C 15 8.894 -7.426 7.289 1.00 10.00 H new ATOM 0 HB THR C 15 6.943 -5.549 8.630 1.00 10.00 H new ATOM 0 HG1 THR C 15 8.618 -4.307 7.744 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.315 -6.041 10.663 1.00 10.00 H new ATOM 0 HG22 THR C 15 7.596 -7.525 9.993 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.314 -7.159 9.704 1.00 10.00 H new ATOM 1053 N LEU C 16 5.658 -7.774 6.924 1.00 10.00 N ATOM 1054 CA LEU C 16 4.584 -8.762 6.867 1.00 10.00 C ATOM 1055 C LEU C 16 4.978 -9.912 5.935 1.00 10.00 C ATOM 1056 O LEU C 16 4.895 -11.080 6.311 1.00 10.00 O ATOM 1057 CB LEU C 16 3.275 -8.072 6.447 1.00 10.00 C ATOM 1058 CG LEU C 16 2.006 -8.852 6.833 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.830 -7.874 6.940 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.651 -9.938 5.809 1.00 10.00 C ATOM 0 H LEU C 16 5.397 -6.876 6.516 1.00 10.00 H new ATOM 0 HA LEU C 16 4.419 -9.199 7.852 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.235 -7.083 6.904 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.284 -7.924 5.367 1.00 10.00 H new ATOM 0 HG LEU C 16 2.201 -9.343 7.786 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.073 -8.420 7.213 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.047 -7.126 7.703 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.679 -7.380 5.980 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.748 -10.458 6.129 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.479 -9.478 4.836 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.473 -10.650 5.734 1.00 10.00 H new ATOM 1072 N ARG C 17 5.471 -9.580 4.736 1.00 10.00 N ATOM 1073 CA ARG C 17 6.088 -10.549 3.833 1.00 10.00 C ATOM 1074 C ARG C 17 7.190 -11.337 4.567 1.00 10.00 C ATOM 1075 O ARG C 17 7.150 -12.564 4.604 1.00 10.00 O ATOM 1076 CB ARG C 17 6.582 -9.814 2.576 1.00 10.00 C ATOM 1077 CG ARG C 17 6.891 -10.721 1.373 1.00 10.00 C ATOM 1078 CD ARG C 17 8.076 -11.674 1.566 1.00 10.00 C ATOM 1079 NE ARG C 17 9.261 -10.966 2.070 1.00 10.00 N ATOM 1080 CZ ARG C 17 10.342 -11.535 2.615 1.00 10.00 C ATOM 1081 NH1 ARG C 17 10.448 -12.855 2.742 1.00 10.00 N ATOM 1082 NH2 ARG C 17 11.332 -10.761 3.047 1.00 10.00 N ATOM 0 H ARG C 17 5.452 -8.629 4.367 1.00 10.00 H new ATOM 0 HA ARG C 17 5.362 -11.293 3.506 1.00 10.00 H new ATOM 0 HB2 ARG C 17 5.827 -9.086 2.279 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.482 -9.254 2.831 1.00 10.00 H new ATOM 0 HG2 ARG C 17 6.003 -11.311 1.145 1.00 10.00 H new ATOM 0 HG3 ARG C 17 7.088 -10.092 0.505 1.00 10.00 H new ATOM 0 HD2 ARG C 17 7.799 -12.464 2.264 1.00 10.00 H new ATOM 0 HD3 ARG C 17 8.315 -12.156 0.618 1.00 10.00 H new ATOM 0 HE ARG C 17 9.259 -9.949 1.998 1.00 10.00 H new ATOM 0 HH11 ARG C 17 9.693 -13.461 2.420 1.00 10.00 H new ATOM 0 HH12 ARG C 17 11.284 -13.261 3.162 1.00 10.00 H new ATOM 0 HH21 ARG C 17 11.261 -9.747 2.961 1.00 10.00 H new ATOM 0 HH22 ARG C 17 12.162 -11.181 3.465 1.00 10.00 H new ATOM 1096 N LYS C 18 8.131 -10.641 5.219 1.00 10.00 N ATOM 1097 CA LYS C 18 9.173 -11.279 6.029 1.00 10.00 C ATOM 1098 C LYS C 18 8.589 -12.255 7.067 1.00 10.00 C ATOM 1099 O LYS C 18 8.926 -13.436 7.055 1.00 10.00 O ATOM 1100 CB LYS C 18 10.077 -10.199 6.640 1.00 10.00 C ATOM 1101 CG LYS C 18 11.411 -10.734 7.188 1.00 10.00 C ATOM 1102 CD LYS C 18 11.357 -11.351 8.596 1.00 10.00 C ATOM 1103 CE LYS C 18 10.969 -10.329 9.670 1.00 10.00 C ATOM 1104 NZ LYS C 18 11.208 -10.876 11.016 1.00 10.00 N ATOM 0 H LYS C 18 8.190 -9.623 5.199 1.00 10.00 H new ATOM 0 HA LYS C 18 9.793 -11.904 5.386 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.285 -9.443 5.883 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.538 -9.703 7.447 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.791 -11.486 6.497 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.132 -9.917 7.197 1.00 10.00 H new ATOM 0 HD2 LYS C 18 10.639 -12.171 8.603 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.330 -11.778 8.840 1.00 10.00 H new ATOM 0 HE2 LYS C 18 11.547 -9.415 9.535 1.00 10.00 H new ATOM 0 HE3 LYS C 18 9.918 -10.061 9.562 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 10.939 -10.170 11.731 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 10.638 -11.736 11.148 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 12.216 -11.109 11.122 1.00 10.00 H new ATOM 1118 N CYS C 19 7.683 -11.789 7.935 1.00 10.00 N ATOM 1119 CA CYS C 19 6.940 -12.613 8.892 1.00 10.00 C ATOM 1120 C CYS C 19 6.366 -13.877 8.246 1.00 10.00 C ATOM 1121 O CYS C 19 6.605 -14.985 8.723 1.00 10.00 O ATOM 1122 CB CYS C 19 5.824 -11.773 9.526 1.00 10.00 C ATOM 1123 SG CYS C 19 4.544 -12.686 10.430 1.00 10.00 S ATOM 0 H CYS C 19 7.441 -10.800 7.991 1.00 10.00 H new ATOM 0 HA CYS C 19 7.634 -12.945 9.664 1.00 10.00 H new ATOM 0 HB2 CYS C 19 6.281 -11.058 10.210 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.340 -11.196 8.738 1.00 10.00 H new ATOM 0 HG CYS C 19 3.419 -12.039 10.361 1.00 10.00 H new ATOM 1278 N ILE D 7 -2.120 9.629 16.333 1.00 10.00 N ATOM 1279 CA ILE D 7 -1.232 8.933 17.271 1.00 10.00 C ATOM 1280 C ILE D 7 -1.700 7.496 17.553 1.00 10.00 C ATOM 1281 O ILE D 7 -0.881 6.582 17.597 1.00 10.00 O ATOM 1282 CB ILE D 7 -0.962 9.744 18.554 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -2.199 9.884 19.457 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -0.348 11.106 18.190 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -1.924 10.684 20.733 1.00 10.00 C ATOM 0 HA ILE D 7 -0.265 8.846 16.776 1.00 10.00 H new ATOM 0 HB ILE D 7 -0.242 9.185 19.152 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -2.998 10.369 18.896 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -2.558 8.891 19.728 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -0.159 11.675 19.100 1.00 10.00 H new ATOM 0 HG22 ILE D 7 0.590 10.951 17.658 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -1.039 11.658 17.554 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -2.836 10.747 21.327 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -1.147 10.187 21.313 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -1.593 11.688 20.469 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.011 7.276 17.696 1.00 10.00 N ATOM 1298 CA GLU D 8 -3.584 5.944 17.868 1.00 10.00 C ATOM 1299 C GLU D 8 -3.253 5.027 16.677 1.00 10.00 C ATOM 1300 O GLU D 8 -2.712 3.935 16.849 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.095 6.094 18.090 1.00 10.00 C ATOM 1302 CG GLU D 8 -5.776 4.745 18.366 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.262 4.923 18.661 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.017 5.093 17.681 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -7.610 4.898 19.862 1.00 10.00 O ATOM 0 H GLU D 8 -3.705 8.023 17.695 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.144 5.460 18.740 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -5.273 6.767 18.929 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.546 6.554 17.211 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -5.650 4.089 17.505 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.291 4.257 19.212 1.00 10.00 H new ATOM 1312 N ALA D 9 -3.568 5.477 15.460 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.290 4.751 14.226 1.00 10.00 C ATOM 1314 C ALA D 9 -1.789 4.480 14.041 1.00 10.00 C ATOM 1315 O ALA D 9 -1.401 3.368 13.686 1.00 10.00 O ATOM 1316 CB ALA D 9 -3.877 5.530 13.050 1.00 10.00 C ATOM 0 H ALA D 9 -4.032 6.372 15.306 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.764 3.771 14.278 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.674 4.995 12.122 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -4.954 5.632 13.182 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.422 6.519 13.005 1.00 10.00 H new ATOM 1322 N ARG D 10 -0.935 5.473 14.311 1.00 10.00 N ATOM 1323 CA ARG D 10 0.515 5.294 14.316 1.00 10.00 C ATOM 1324 C ARG D 10 0.954 4.244 15.348 1.00 10.00 C ATOM 1325 O ARG D 10 1.675 3.316 14.998 1.00 10.00 O ATOM 1326 CB ARG D 10 1.219 6.642 14.536 1.00 10.00 C ATOM 1327 CG ARG D 10 1.134 7.558 13.305 1.00 10.00 C ATOM 1328 CD ARG D 10 2.145 7.158 12.223 1.00 10.00 C ATOM 1329 NE ARG D 10 2.019 8.006 11.028 1.00 10.00 N ATOM 1330 CZ ARG D 10 2.572 9.210 10.839 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.244 9.832 11.803 1.00 10.00 N ATOM 1332 NH2 ARG D 10 2.425 9.787 9.654 1.00 10.00 N ATOM 0 H ARG D 10 -1.233 6.423 14.532 1.00 10.00 H new ATOM 0 HA ARG D 10 0.814 4.913 13.339 1.00 10.00 H new ATOM 0 HB2 ARG D 10 0.771 7.147 15.392 1.00 10.00 H new ATOM 0 HB3 ARG D 10 2.266 6.466 14.782 1.00 10.00 H new ATOM 0 HG2 ARG D 10 0.126 7.519 12.892 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.315 8.590 13.607 1.00 10.00 H new ATOM 0 HD2 ARG D 10 3.156 7.237 12.622 1.00 10.00 H new ATOM 0 HD3 ARG D 10 1.991 6.115 11.948 1.00 10.00 H new ATOM 0 HE ARG D 10 1.451 7.639 10.264 1.00 10.00 H new ATOM 0 HH11 ARG D 10 3.349 9.392 12.717 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.654 10.749 11.628 1.00 10.00 H new ATOM 0 HH21 ARG D 10 1.902 9.313 8.917 1.00 10.00 H new ATOM 0 HH22 ARG D 10 2.835 10.705 9.479 1.00 10.00 H new ATOM 1346 N LYS D 11 0.504 4.343 16.602 1.00 10.00 N ATOM 1347 CA LYS D 11 0.786 3.347 17.637 1.00 10.00 C ATOM 1348 C LYS D 11 0.376 1.931 17.192 1.00 10.00 C ATOM 1349 O LYS D 11 1.164 0.993 17.285 1.00 10.00 O ATOM 1350 CB LYS D 11 0.086 3.762 18.938 1.00 10.00 C ATOM 1351 CG LYS D 11 0.416 2.810 20.096 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.188 3.291 21.423 1.00 10.00 C ATOM 1353 CE LYS D 11 -1.721 3.231 21.411 1.00 10.00 C ATOM 1354 NZ LYS D 11 -2.273 3.549 22.739 1.00 10.00 N ATOM 0 H LYS D 11 -0.069 5.121 16.928 1.00 10.00 H new ATOM 0 HA LYS D 11 1.861 3.310 17.811 1.00 10.00 H new ATOM 0 HB2 LYS D 11 0.387 4.775 19.204 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.992 3.781 18.780 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.039 1.814 19.866 1.00 10.00 H new ATOM 0 HG3 LYS D 11 1.498 2.725 20.199 1.00 10.00 H new ATOM 0 HD2 LYS D 11 0.193 2.676 22.239 1.00 10.00 H new ATOM 0 HD3 LYS D 11 0.133 4.314 21.618 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -2.110 3.934 20.674 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -2.047 2.236 21.107 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -3.311 3.501 22.704 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.918 2.863 23.436 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -1.980 4.507 23.017 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.852 1.782 16.688 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.365 0.551 16.088 1.00 10.00 C ATOM 1370 C TYR D 12 -0.442 0.021 14.973 1.00 10.00 C ATOM 1371 O TYR D 12 0.028 -1.117 15.039 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.794 0.842 15.607 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.422 -0.172 14.672 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.946 -1.373 15.181 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.650 0.176 13.326 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -4.716 -2.209 14.353 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -4.394 -0.676 12.492 1.00 10.00 C ATOM 1378 CZ TYR D 12 -4.953 -1.852 13.018 1.00 10.00 C ATOM 1379 OH TYR D 12 -5.732 -2.644 12.233 1.00 10.00 O ATOM 0 H TYR D 12 -1.536 2.539 16.687 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.387 -0.255 16.822 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.434 0.937 16.484 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.793 1.810 15.106 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.757 -1.653 16.207 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.252 1.100 12.934 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -5.126 -3.128 14.746 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.535 -0.427 11.451 1.00 10.00 H new ATOM 0 HH TYR D 12 -5.796 -2.254 11.336 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.151 0.851 13.965 1.00 10.00 N ATOM 1390 CA LEU D 13 0.778 0.538 12.877 1.00 10.00 C ATOM 1391 C LEU D 13 2.129 0.048 13.420 1.00 10.00 C ATOM 1392 O LEU D 13 2.582 -1.042 13.077 1.00 10.00 O ATOM 1393 CB LEU D 13 0.911 1.774 11.969 1.00 10.00 C ATOM 1394 CG LEU D 13 1.668 1.538 10.650 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.288 2.639 9.650 1.00 10.00 C ATOM 1396 CD2 LEU D 13 3.193 1.559 10.824 1.00 10.00 C ATOM 0 H LEU D 13 -0.565 1.780 13.883 1.00 10.00 H new ATOM 0 HA LEU D 13 0.387 -0.285 12.279 1.00 10.00 H new ATOM 0 HB2 LEU D 13 -0.088 2.143 11.735 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.419 2.561 12.526 1.00 10.00 H new ATOM 0 HG LEU D 13 1.384 0.548 10.293 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.821 2.479 8.713 1.00 10.00 H new ATOM 0 HD12 LEU D 13 0.214 2.609 9.467 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.559 3.612 10.060 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.672 1.387 9.860 1.00 10.00 H new ATOM 0 HD22 LEU D 13 3.501 2.529 11.214 1.00 10.00 H new ATOM 0 HD23 LEU D 13 3.490 0.776 11.522 1.00 10.00 H new ATOM 1408 N GLU D 14 2.763 0.841 14.287 1.00 10.00 N ATOM 1409 CA GLU D 14 4.012 0.502 14.959 1.00 10.00 C ATOM 1410 C GLU D 14 3.931 -0.862 15.663 1.00 10.00 C ATOM 1411 O GLU D 14 4.765 -1.731 15.428 1.00 10.00 O ATOM 1412 CB GLU D 14 4.360 1.616 15.954 1.00 10.00 C ATOM 1413 CG GLU D 14 4.848 2.897 15.263 1.00 10.00 C ATOM 1414 CD GLU D 14 4.966 4.057 16.249 1.00 10.00 C ATOM 1415 OE1 GLU D 14 5.822 3.949 17.155 1.00 10.00 O ATOM 1416 OE2 GLU D 14 4.196 5.028 16.083 1.00 10.00 O ATOM 0 H GLU D 14 2.409 1.762 14.546 1.00 10.00 H new ATOM 0 HA GLU D 14 4.801 0.419 14.212 1.00 10.00 H new ATOM 0 HB2 GLU D 14 3.482 1.846 16.558 1.00 10.00 H new ATOM 0 HB3 GLU D 14 5.132 1.260 16.637 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.817 2.714 14.798 1.00 10.00 H new ATOM 0 HG3 GLU D 14 4.157 3.166 14.464 1.00 10.00 H new ATOM 1423 N GLN D 15 2.927 -1.066 16.521 1.00 10.00 N ATOM 1424 CA GLN D 15 2.739 -2.327 17.233 1.00 10.00 C ATOM 1425 C GLN D 15 2.639 -3.517 16.267 1.00 10.00 C ATOM 1426 O GLN D 15 3.328 -4.523 16.461 1.00 10.00 O ATOM 1427 CB GLN D 15 1.513 -2.225 18.152 1.00 10.00 C ATOM 1428 CG GLN D 15 1.207 -3.528 18.912 1.00 10.00 C ATOM 1429 CD GLN D 15 2.350 -3.998 19.809 1.00 10.00 C ATOM 1430 OE1 GLN D 15 2.367 -3.726 21.002 1.00 10.00 O ATOM 1431 NE2 GLN D 15 3.315 -4.723 19.262 1.00 10.00 N ATOM 0 H GLN D 15 2.224 -0.360 16.739 1.00 10.00 H new ATOM 0 HA GLN D 15 3.617 -2.512 17.852 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.674 -1.423 18.872 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.643 -1.948 17.556 1.00 10.00 H new ATOM 0 HG2 GLN D 15 0.315 -3.382 19.521 1.00 10.00 H new ATOM 0 HG3 GLN D 15 0.976 -4.313 18.192 1.00 10.00 H new ATOM 0 HE21 GLN D 15 3.287 -4.941 18.266 1.00 10.00 H new ATOM 0 HE22 GLN D 15 4.086 -5.063 19.837 1.00 10.00 H new ATOM 1440 N LEU D 16 1.801 -3.411 15.231 1.00 10.00 N ATOM 1441 CA LEU D 16 1.727 -4.422 14.179 1.00 10.00 C ATOM 1442 C LEU D 16 3.105 -4.664 13.548 1.00 10.00 C ATOM 1443 O LEU D 16 3.598 -5.789 13.542 1.00 10.00 O ATOM 1444 CB LEU D 16 0.703 -4.010 13.111 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.757 -4.056 13.589 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.633 -3.362 12.542 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -1.253 -5.497 13.776 1.00 10.00 C ATOM 0 H LEU D 16 1.161 -2.628 15.101 1.00 10.00 H new ATOM 0 HA LEU D 16 1.398 -5.358 14.630 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.932 -2.999 12.775 1.00 10.00 H new ATOM 0 HB3 LEU D 16 0.812 -4.666 12.247 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.818 -3.553 14.554 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.674 -3.385 12.865 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -1.312 -2.327 12.427 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.538 -3.879 11.587 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -2.289 -5.484 14.114 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.188 -6.030 12.828 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -0.635 -6.001 14.519 1.00 10.00 H new ATOM 1459 N HIS D 17 3.751 -3.610 13.045 1.00 10.00 N ATOM 1460 CA HIS D 17 5.074 -3.684 12.432 1.00 10.00 C ATOM 1461 C HIS D 17 6.108 -4.369 13.343 1.00 10.00 C ATOM 1462 O HIS D 17 6.897 -5.184 12.870 1.00 10.00 O ATOM 1463 CB HIS D 17 5.511 -2.272 12.024 1.00 10.00 C ATOM 1464 CG HIS D 17 6.743 -2.217 11.155 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.774 -3.131 11.125 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.076 -1.192 10.309 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.712 -2.656 10.289 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.331 -1.479 9.768 1.00 10.00 N ATOM 0 H HIS D 17 3.361 -2.667 13.053 1.00 10.00 H new ATOM 0 HA HIS D 17 5.014 -4.312 11.543 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.688 -1.791 11.495 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.694 -1.689 12.926 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.817 -4.008 11.643 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.476 -0.319 10.098 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.645 -3.153 10.067 1.00 10.00 H new ATOM 1476 N ARG D 18 6.123 -4.042 14.637 1.00 10.00 N ATOM 1477 CA ARG D 18 7.018 -4.644 15.624 1.00 10.00 C ATOM 1478 C ARG D 18 6.699 -6.131 15.849 1.00 10.00 C ATOM 1479 O ARG D 18 7.595 -6.973 15.805 1.00 10.00 O ATOM 1480 CB ARG D 18 6.955 -3.840 16.929 1.00 10.00 C ATOM 1481 CG ARG D 18 7.637 -2.477 16.743 1.00 10.00 C ATOM 1482 CD ARG D 18 7.347 -1.541 17.918 1.00 10.00 C ATOM 1483 NE ARG D 18 7.913 -0.211 17.642 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.403 0.958 18.039 1.00 10.00 C ATOM 1485 NH1 ARG D 18 6.432 1.020 18.947 1.00 10.00 N ATOM 1486 NH2 ARG D 18 7.855 2.085 17.497 1.00 10.00 N ATOM 0 H ARG D 18 5.501 -3.338 15.034 1.00 10.00 H new ATOM 0 HA ARG D 18 8.038 -4.607 15.242 1.00 10.00 H new ATOM 0 HB2 ARG D 18 5.916 -3.698 17.228 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.444 -4.394 17.730 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.713 -2.618 16.645 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.290 -2.019 15.817 1.00 10.00 H new ATOM 0 HD2 ARG D 18 6.271 -1.464 18.077 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.776 -1.947 18.834 1.00 10.00 H new ATOM 0 HE ARG D 18 8.775 -0.179 17.097 1.00 10.00 H new ATOM 0 HH11 ARG D 18 6.061 0.163 19.356 1.00 10.00 H new ATOM 0 HH12 ARG D 18 6.059 1.925 19.234 1.00 10.00 H new ATOM 0 HH21 ARG D 18 8.585 2.052 16.785 1.00 10.00 H new ATOM 0 HH22 ARG D 18 7.472 2.983 17.793 1.00 10.00 H new ATOM 1500 N LYS D 19 5.423 -6.475 16.051 1.00 10.00 N ATOM 1501 CA LYS D 19 5.004 -7.874 16.148 1.00 10.00 C ATOM 1502 C LYS D 19 5.439 -8.671 14.906 1.00 10.00 C ATOM 1503 O LYS D 19 6.052 -9.733 15.012 1.00 10.00 O ATOM 1504 CB LYS D 19 3.486 -7.928 16.373 1.00 10.00 C ATOM 1505 CG LYS D 19 3.006 -9.362 16.630 1.00 10.00 C ATOM 1506 CD LYS D 19 1.503 -9.355 16.939 1.00 10.00 C ATOM 1507 CE LYS D 19 0.960 -10.776 17.128 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.549 -11.434 18.309 1.00 10.00 N ATOM 0 H LYS D 19 4.663 -5.802 16.150 1.00 10.00 H new ATOM 0 HA LYS D 19 5.495 -8.345 16.999 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.220 -7.297 17.221 1.00 10.00 H new ATOM 0 HB3 LYS D 19 2.973 -7.522 15.501 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.205 -9.985 15.758 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.557 -9.796 17.464 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.319 -8.771 17.841 1.00 10.00 H new ATOM 0 HD3 LYS D 19 0.966 -8.865 16.127 1.00 10.00 H new ATOM 0 HE2 LYS D 19 -0.124 -10.740 17.235 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.173 -11.368 16.238 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.073 -12.344 18.473 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 2.563 -11.598 18.145 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 1.427 -10.824 19.143 1.00 10.00 H new ATOM 1522 N LEU D 20 5.162 -8.132 13.716 1.00 10.00 N ATOM 1523 CA LEU D 20 5.603 -8.705 12.450 1.00 10.00 C ATOM 1524 C LEU D 20 7.137 -8.787 12.357 1.00 10.00 C ATOM 1525 O LEU D 20 7.668 -9.774 11.861 1.00 10.00 O ATOM 1526 CB LEU D 20 4.987 -7.922 11.283 1.00 10.00 C ATOM 1527 CG LEU D 20 3.450 -8.012 11.239 1.00 10.00 C ATOM 1528 CD1 LEU D 20 2.921 -6.964 10.257 1.00 10.00 C ATOM 1529 CD2 LEU D 20 2.963 -9.405 10.823 1.00 10.00 C ATOM 0 H LEU D 20 4.619 -7.276 13.608 1.00 10.00 H new ATOM 0 HA LEU D 20 5.248 -9.734 12.393 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.282 -6.875 11.360 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.394 -8.300 10.345 1.00 10.00 H new ATOM 0 HG LEU D 20 3.070 -7.824 12.243 1.00 10.00 H new ATOM 0 HD11 LEU D 20 1.833 -7.019 10.218 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.223 -5.970 10.588 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.330 -7.156 9.265 1.00 10.00 H new ATOM 0 HD21 LEU D 20 1.873 -9.420 10.806 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.344 -9.642 9.830 1.00 10.00 H new ATOM 0 HD23 LEU D 20 3.325 -10.145 11.537 1.00 10.00 H new ATOM 1541 N LYS D 21 7.870 -7.783 12.851 1.00 10.00 N ATOM 1542 CA LYS D 21 9.330 -7.845 12.931 1.00 10.00 C ATOM 1543 C LYS D 21 9.808 -8.991 13.836 1.00 10.00 C ATOM 1544 O LYS D 21 10.789 -9.658 13.519 1.00 10.00 O ATOM 1545 CB LYS D 21 9.892 -6.486 13.375 1.00 10.00 C ATOM 1546 CG LYS D 21 11.416 -6.428 13.219 1.00 10.00 C ATOM 1547 CD LYS D 21 11.925 -5.033 13.596 1.00 10.00 C ATOM 1548 CE LYS D 21 13.447 -4.969 13.434 1.00 10.00 C ATOM 1549 NZ LYS D 21 13.962 -3.634 13.787 1.00 10.00 N ATOM 0 H LYS D 21 7.471 -6.913 13.203 1.00 10.00 H new ATOM 0 HA LYS D 21 9.718 -8.064 11.936 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.435 -5.692 12.785 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.625 -6.304 14.416 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.884 -7.180 13.854 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.694 -6.661 12.191 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.452 -4.281 12.964 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.651 -4.803 14.625 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.915 -5.722 14.068 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.717 -5.206 12.405 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 14.995 -3.618 13.669 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.531 -2.920 13.165 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.724 -3.420 14.777 1.00 10.00 H new ATOM 1563 N ASN D 22 9.120 -9.234 14.957 1.00 10.00 N ATOM 1564 CA ASN D 22 9.402 -10.377 15.827 1.00 10.00 C ATOM 1565 C ASN D 22 9.069 -11.717 15.142 1.00 10.00 C ATOM 1566 O ASN D 22 9.800 -12.694 15.309 1.00 10.00 O ATOM 1567 CB ASN D 22 8.639 -10.212 17.151 1.00 10.00 C ATOM 1568 CG ASN D 22 9.209 -11.024 18.315 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.138 -10.595 19.459 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.782 -12.198 18.082 1.00 10.00 N ATOM 0 H ASN D 22 8.355 -8.645 15.284 1.00 10.00 H new ATOM 0 HA ASN D 22 10.471 -10.399 16.037 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.638 -9.157 17.426 1.00 10.00 H new ATOM 0 HB3 ASN D 22 7.600 -10.502 16.996 1.00 10.00 H new ATOM 0 HD21 ASN D 22 10.163 -12.742 18.856 1.00 10.00 H new ATOM 0 HD22 ASN D 22 9.842 -12.556 17.129 1.00 10.00 H new