USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 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 -71:sc= 1.65 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 0.0588 K(o=1.7,f=-4!) USER MOD Set 2.1: A 15 THR OG1 : rot 6:sc= 1.89 USER MOD Set 2.2: B 17 HIS : no HE2:sc= 0.733 K(o=2.6,f=-5!) USER MOD Set 3.1: A 19 CYS SG : rot 150:sc= 0.46 USER MOD Set 3.2: A 20 LYS NZ :NH3+ -166:sc= 0.519 (180deg=-0.0524) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= -0.18 (180deg=-0.661) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 100:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0.0628 X(o=0.063,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0483) USER MOD Single : B 22 ASN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : C 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0395) USER MOD Single : C 18 LYS NZ :NH3+ -169:sc= 0.552 (180deg=0.128) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -172:sc= 0.832 (180deg=0.774) USER MOD Single : D 12 TYR OH : rot 180:sc= 0.918 USER MOD Single : D 15 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.33) USER MOD Single : D 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0345) USER MOD Single : D 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.053) USER MOD Single : D 22 ASN : amide:sc= 0.336 K(o=0.34,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.216 7.390 7.066 1.00 10.00 N ATOM 88 CA PRO A 6 -4.505 7.393 6.386 1.00 10.00 C ATOM 89 C PRO A 6 -5.388 6.214 6.830 1.00 10.00 C ATOM 90 O PRO A 6 -4.896 5.088 6.889 1.00 10.00 O ATOM 91 CB PRO A 6 -4.172 7.295 4.894 1.00 10.00 C ATOM 92 CG PRO A 6 -2.842 6.543 4.878 1.00 10.00 C ATOM 93 CD PRO A 6 -2.147 7.043 6.142 1.00 10.00 C ATOM 0 HA PRO A 6 -5.075 8.292 6.622 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -4.944 6.757 4.344 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.082 8.280 4.437 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -2.989 5.463 4.899 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.262 6.768 3.983 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.499 6.274 6.563 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.518 7.907 5.928 1.00 10.00 H new ATOM 101 N PRO A 7 -6.698 6.424 7.069 1.00 10.00 N ATOM 102 CA PRO A 7 -7.676 5.353 7.275 1.00 10.00 C ATOM 103 C PRO A 7 -7.583 4.204 6.260 1.00 10.00 C ATOM 104 O PRO A 7 -7.851 3.053 6.596 1.00 10.00 O ATOM 105 CB PRO A 7 -9.043 6.041 7.219 1.00 10.00 C ATOM 106 CG PRO A 7 -8.737 7.441 7.744 1.00 10.00 C ATOM 107 CD PRO A 7 -7.349 7.722 7.169 1.00 10.00 C ATOM 0 HA PRO A 7 -7.489 4.861 8.229 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.442 6.067 6.205 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.780 5.529 7.838 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.472 8.170 7.403 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -8.738 7.474 8.834 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.419 8.202 6.193 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -6.785 8.395 7.816 1.00 10.00 H new ATOM 115 N GLY A 8 -7.169 4.505 5.022 1.00 10.00 N ATOM 116 CA GLY A 8 -6.819 3.509 4.010 1.00 10.00 C ATOM 117 C GLY A 8 -5.932 2.376 4.546 1.00 10.00 C ATOM 118 O GLY A 8 -6.140 1.215 4.202 1.00 10.00 O ATOM 0 H GLY A 8 -7.067 5.465 4.694 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.734 3.081 3.601 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.304 4.004 3.187 1.00 10.00 H new ATOM 122 N PHE A 9 -4.964 2.692 5.415 1.00 10.00 N ATOM 123 CA PHE A 9 -4.167 1.689 6.118 1.00 10.00 C ATOM 124 C PHE A 9 -5.055 0.745 6.943 1.00 10.00 C ATOM 125 O PHE A 9 -4.996 -0.471 6.781 1.00 10.00 O ATOM 126 CB PHE A 9 -3.124 2.385 7.002 1.00 10.00 C ATOM 127 CG PHE A 9 -2.381 1.447 7.933 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.682 0.348 7.404 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.495 1.597 9.327 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.081 -0.586 8.265 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.884 0.670 10.189 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.184 -0.427 9.658 1.00 10.00 C ATOM 0 H PHE A 9 -4.714 3.653 5.648 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.649 1.076 5.380 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.402 2.893 6.363 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.620 3.153 7.596 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.607 0.221 6.334 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.053 2.426 9.736 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.540 -1.426 7.856 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.952 0.801 11.259 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.726 -1.147 10.320 1.00 10.00 H new ATOM 142 N THR A 10 -5.907 1.299 7.808 1.00 10.00 N ATOM 143 CA THR A 10 -6.858 0.536 8.613 1.00 10.00 C ATOM 144 C THR A 10 -7.764 -0.340 7.735 1.00 10.00 C ATOM 145 O THR A 10 -7.959 -1.522 8.013 1.00 10.00 O ATOM 146 CB THR A 10 -7.688 1.498 9.477 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.838 2.471 10.050 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.400 0.755 10.607 1.00 10.00 C ATOM 0 H THR A 10 -5.955 2.305 7.970 1.00 10.00 H new ATOM 0 HA THR A 10 -6.301 -0.137 9.265 1.00 10.00 H new ATOM 0 HB THR A 10 -8.434 1.966 8.834 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.368 3.085 10.600 1.00 10.00 H new ATOM 0 HG21 THR A 10 -8.979 1.463 11.200 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.068 0.004 10.185 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.662 0.267 11.243 1.00 10.00 H new ATOM 156 N ALA A 11 -8.303 0.230 6.654 1.00 10.00 N ATOM 157 CA ALA A 11 -9.115 -0.501 5.683 1.00 10.00 C ATOM 158 C ALA A 11 -8.336 -1.664 5.040 1.00 10.00 C ATOM 159 O ALA A 11 -8.820 -2.798 4.998 1.00 10.00 O ATOM 160 CB ALA A 11 -9.650 0.479 4.637 1.00 10.00 C ATOM 0 H ALA A 11 -8.186 1.218 6.428 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.958 -0.958 6.201 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.257 -0.060 3.910 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.260 1.237 5.127 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.815 0.959 4.128 1.00 10.00 H new ATOM 166 N LEU A 12 -7.109 -1.398 4.578 1.00 10.00 N ATOM 167 CA LEU A 12 -6.193 -2.425 4.093 1.00 10.00 C ATOM 168 C LEU A 12 -6.012 -3.532 5.133 1.00 10.00 C ATOM 169 O LEU A 12 -6.283 -4.693 4.833 1.00 10.00 O ATOM 170 CB LEU A 12 -4.866 -1.793 3.654 1.00 10.00 C ATOM 171 CG LEU A 12 -3.912 -2.797 2.980 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.993 -2.030 2.029 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.030 -3.555 3.984 1.00 10.00 C ATOM 0 H LEU A 12 -6.725 -0.454 4.532 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.624 -2.901 3.212 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.071 -0.976 2.963 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.372 -1.359 4.523 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.529 -3.530 2.460 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.310 -2.726 1.543 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.593 -1.523 1.273 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.420 -1.293 2.592 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.380 -4.247 3.448 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.421 -2.844 4.542 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.662 -4.113 4.675 1.00 10.00 H new ATOM 185 N ILE A 13 -5.599 -3.187 6.357 1.00 10.00 N ATOM 186 CA ILE A 13 -5.465 -4.127 7.471 1.00 10.00 C ATOM 187 C ILE A 13 -6.732 -4.967 7.661 1.00 10.00 C ATOM 188 O ILE A 13 -6.642 -6.188 7.743 1.00 10.00 O ATOM 189 CB ILE A 13 -5.068 -3.381 8.762 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.613 -2.876 8.718 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.310 -4.227 10.021 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.542 -3.973 8.795 1.00 10.00 C ATOM 0 H ILE A 13 -5.345 -2.231 6.604 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.664 -4.826 7.229 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.721 -2.510 8.818 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.468 -2.312 7.797 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.460 -2.182 9.544 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.015 -3.659 10.903 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.367 -4.482 10.090 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.719 -5.141 9.964 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.552 -3.518 8.757 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.652 -4.524 9.729 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.660 -4.656 7.954 1.00 10.00 H new ATOM 204 N LYS A 14 -7.913 -4.344 7.710 1.00 10.00 N ATOM 205 CA LYS A 14 -9.177 -5.070 7.800 1.00 10.00 C ATOM 206 C LYS A 14 -9.311 -6.113 6.676 1.00 10.00 C ATOM 207 O LYS A 14 -9.550 -7.293 6.941 1.00 10.00 O ATOM 208 CB LYS A 14 -10.342 -4.071 7.812 1.00 10.00 C ATOM 209 CG LYS A 14 -11.688 -4.774 8.044 1.00 10.00 C ATOM 210 CD LYS A 14 -12.831 -3.770 8.245 1.00 10.00 C ATOM 211 CE LYS A 14 -13.108 -2.949 6.982 1.00 10.00 C ATOM 212 NZ LYS A 14 -14.295 -2.095 7.158 1.00 10.00 N ATOM 0 H LYS A 14 -8.017 -3.330 7.688 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.200 -5.631 8.734 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.178 -3.330 8.594 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -10.370 -3.533 6.864 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -11.914 -5.416 7.192 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -11.614 -5.420 8.919 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -13.736 -4.305 8.534 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.582 -3.098 9.066 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.242 -2.330 6.749 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -13.259 -3.618 6.135 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -14.462 -1.549 6.289 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -15.124 -2.690 7.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -14.138 -1.442 7.952 1.00 10.00 H new ATOM 226 N THR A 15 -9.128 -5.700 5.418 1.00 10.00 N ATOM 227 CA THR A 15 -9.176 -6.635 4.290 1.00 10.00 C ATOM 228 C THR A 15 -8.070 -7.700 4.333 1.00 10.00 C ATOM 229 O THR A 15 -8.303 -8.841 3.943 1.00 10.00 O ATOM 230 CB THR A 15 -9.207 -5.898 2.945 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.166 -4.947 2.815 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.544 -5.177 2.780 1.00 10.00 C ATOM 0 H THR A 15 -8.946 -4.731 5.156 1.00 10.00 H new ATOM 0 HA THR A 15 -10.115 -7.180 4.392 1.00 10.00 H new ATOM 0 HB THR A 15 -9.070 -6.655 2.172 1.00 10.00 H new ATOM 0 HG1 THR A 15 -7.563 -5.015 3.585 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.560 -4.655 1.823 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.356 -5.904 2.811 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.671 -4.457 3.588 1.00 10.00 H new ATOM 240 N LEU A 16 -6.876 -7.361 4.825 1.00 10.00 N ATOM 241 CA LEU A 16 -5.778 -8.307 5.012 1.00 10.00 C ATOM 242 C LEU A 16 -6.171 -9.377 6.031 1.00 10.00 C ATOM 243 O LEU A 16 -6.119 -10.572 5.746 1.00 10.00 O ATOM 244 CB LEU A 16 -4.508 -7.540 5.425 1.00 10.00 C ATOM 245 CG LEU A 16 -3.207 -8.314 5.148 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.049 -7.320 5.008 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.871 -9.308 6.267 1.00 10.00 C ATOM 0 H LEU A 16 -6.644 -6.409 5.108 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.565 -8.824 4.076 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.477 -6.590 4.891 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.563 -7.307 6.488 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.352 -8.880 4.228 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.125 -7.863 4.812 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.252 -6.639 4.182 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.945 -6.750 5.931 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.945 -9.829 6.025 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.750 -8.770 7.207 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.680 -10.032 6.365 1.00 10.00 H new ATOM 259 N ARG A 17 -6.606 -8.934 7.211 1.00 10.00 N ATOM 260 CA ARG A 17 -7.123 -9.781 8.275 1.00 10.00 C ATOM 261 C ARG A 17 -8.246 -10.688 7.770 1.00 10.00 C ATOM 262 O ARG A 17 -8.217 -11.888 8.016 1.00 10.00 O ATOM 263 CB ARG A 17 -7.557 -8.891 9.443 1.00 10.00 C ATOM 264 CG ARG A 17 -8.063 -9.719 10.632 1.00 10.00 C ATOM 265 CD ARG A 17 -7.755 -9.007 11.953 1.00 10.00 C ATOM 266 NE ARG A 17 -6.301 -8.991 12.192 1.00 10.00 N ATOM 267 CZ ARG A 17 -5.495 -7.926 12.294 1.00 10.00 C ATOM 268 NH1 ARG A 17 -5.954 -6.678 12.289 1.00 10.00 N ATOM 269 NH2 ARG A 17 -4.183 -8.110 12.397 1.00 10.00 N ATOM 0 H ARG A 17 -6.606 -7.944 7.456 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.341 -10.454 8.628 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.717 -8.273 9.761 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.343 -8.213 9.111 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -9.137 -9.879 10.540 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.593 -10.702 10.624 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -8.138 -7.987 11.923 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -8.261 -9.514 12.775 1.00 10.00 H new ATOM 0 HE ARG A 17 -5.854 -9.902 12.292 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -6.955 -6.503 12.205 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -5.305 -5.895 12.369 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -3.799 -9.055 12.398 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -3.560 -7.306 12.475 1.00 10.00 H new ATOM 283 N LYS A 18 -9.209 -10.142 7.019 1.00 10.00 N ATOM 284 CA LYS A 18 -10.221 -10.952 6.345 1.00 10.00 C ATOM 285 C LYS A 18 -9.579 -12.012 5.431 1.00 10.00 C ATOM 286 O LYS A 18 -9.735 -13.209 5.665 1.00 10.00 O ATOM 287 CB LYS A 18 -11.190 -10.025 5.593 1.00 10.00 C ATOM 288 CG LYS A 18 -12.370 -10.759 4.941 1.00 10.00 C ATOM 289 CD LYS A 18 -13.267 -11.557 5.903 1.00 10.00 C ATOM 290 CE LYS A 18 -13.949 -10.702 6.981 1.00 10.00 C ATOM 291 NZ LYS A 18 -13.101 -10.528 8.175 1.00 10.00 N ATOM 0 H LYS A 18 -9.306 -9.138 6.864 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.793 -11.511 7.086 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.577 -9.279 6.287 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.638 -9.487 4.822 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -12.987 -10.027 4.420 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -11.979 -11.441 4.187 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -14.034 -12.072 5.324 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -12.666 -12.325 6.390 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -14.193 -9.724 6.566 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.890 -11.169 7.271 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -13.703 -10.439 9.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -12.477 -11.353 8.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -12.524 -9.669 8.069 1.00 10.00 H new ATOM 305 N CYS A 19 -8.821 -11.583 4.417 1.00 10.00 N ATOM 306 CA CYS A 19 -8.163 -12.461 3.446 1.00 10.00 C ATOM 307 C CYS A 19 -7.367 -13.603 4.096 1.00 10.00 C ATOM 308 O CYS A 19 -7.442 -14.749 3.659 1.00 10.00 O ATOM 309 CB CYS A 19 -7.255 -11.619 2.543 1.00 10.00 C ATOM 310 SG CYS A 19 -6.355 -12.549 1.275 1.00 10.00 S ATOM 0 H CYS A 19 -8.644 -10.593 4.245 1.00 10.00 H new ATOM 0 HA CYS A 19 -8.946 -12.941 2.858 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.862 -10.859 2.051 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.532 -11.095 3.168 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.159 -11.790 0.238 1.00 10.00 H new ATOM 315 N LYS A 20 -6.596 -13.290 5.141 1.00 10.00 N ATOM 316 CA LYS A 20 -5.769 -14.256 5.860 1.00 10.00 C ATOM 317 C LYS A 20 -6.479 -14.879 7.078 1.00 10.00 C ATOM 318 O LYS A 20 -5.848 -15.630 7.820 1.00 10.00 O ATOM 319 CB LYS A 20 -4.457 -13.574 6.277 1.00 10.00 C ATOM 320 CG LYS A 20 -3.704 -12.899 5.120 1.00 10.00 C ATOM 321 CD LYS A 20 -3.382 -13.877 3.981 1.00 10.00 C ATOM 322 CE LYS A 20 -2.450 -13.236 2.946 1.00 10.00 C ATOM 323 NZ LYS A 20 -3.080 -12.073 2.296 1.00 10.00 N ATOM 0 H LYS A 20 -6.530 -12.343 5.515 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.564 -15.087 5.185 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.675 -12.826 7.039 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -3.805 -14.316 6.737 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.304 -12.077 4.730 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -2.777 -12.467 5.497 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.915 -14.773 4.389 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -4.306 -14.192 3.496 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -1.525 -12.925 3.432 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -2.181 -13.974 2.191 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -2.535 -11.810 1.450 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -4.053 -12.315 2.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.098 -11.272 2.959 1.00 10.00 H new ATOM 337 N ILE A 21 -7.764 -14.575 7.309 1.00 10.00 N ATOM 338 CA ILE A 21 -8.552 -14.967 8.484 1.00 10.00 C ATOM 339 C ILE A 21 -8.063 -14.301 9.788 1.00 10.00 C ATOM 340 O ILE A 21 -8.836 -13.634 10.474 1.00 10.00 O ATOM 341 CB ILE A 21 -8.679 -16.501 8.608 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.069 -17.194 7.286 1.00 10.00 C ATOM 343 CG2 ILE A 21 -9.677 -16.868 9.717 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.395 -16.721 6.680 1.00 10.00 C ATOM 0 H ILE A 21 -8.308 -14.021 6.648 1.00 10.00 H new ATOM 0 HA ILE A 21 -9.559 -14.582 8.321 1.00 10.00 H new ATOM 0 HB ILE A 21 -7.687 -16.870 8.869 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.274 -17.031 6.558 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.127 -18.269 7.459 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -9.755 -17.953 9.792 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -9.330 -16.463 10.668 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -10.655 -16.449 9.480 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.586 -17.263 5.754 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.205 -16.910 7.385 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.339 -15.653 6.470 1.00 10.00 H new ATOM 356 N ILE A 22 -6.787 -14.492 10.144 1.00 10.00 N ATOM 357 CA ILE A 22 -6.125 -13.866 11.291 1.00 10.00 C ATOM 358 C ILE A 22 -5.415 -12.560 10.897 1.00 10.00 C ATOM 359 O ILE A 22 -4.942 -12.479 9.741 1.00 10.00 O ATOM 360 CB ILE A 22 -5.169 -14.882 11.954 1.00 10.00 C ATOM 361 CG1 ILE A 22 -4.540 -14.369 13.262 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.033 -15.319 11.016 1.00 10.00 C ATOM 363 CD1 ILE A 22 -5.572 -14.018 14.338 1.00 10.00 C ATOM 364 OXT ILE A 22 -5.344 -11.660 11.764 1.00 10.00 O ATOM 0 H ILE A 22 -6.166 -15.110 9.621 1.00 10.00 H new ATOM 0 HA ILE A 22 -6.880 -13.583 12.024 1.00 10.00 H new ATOM 0 HB ILE A 22 -5.808 -15.735 12.183 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -3.863 -15.128 13.653 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -3.938 -13.487 13.045 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.390 -16.033 11.531 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.455 -15.787 10.127 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -3.447 -14.448 10.724 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -5.059 -13.664 15.232 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -6.234 -13.236 13.966 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -6.158 -14.904 14.583 1.00 10.00 H new ATOM 465 N ILE B 7 1.743 9.413 -4.969 1.00 10.00 N ATOM 466 CA ILE B 7 0.914 8.761 -5.982 1.00 10.00 C ATOM 467 C ILE B 7 1.188 7.253 -6.083 1.00 10.00 C ATOM 468 O ILE B 7 0.255 6.453 -6.082 1.00 10.00 O ATOM 469 CB ILE B 7 0.979 9.485 -7.344 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.281 9.316 -8.155 1.00 10.00 C ATOM 471 CG2 ILE B 7 0.599 10.965 -7.198 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.538 9.928 -7.531 1.00 10.00 C ATOM 0 HA ILE B 7 -0.119 8.849 -5.647 1.00 10.00 H new ATOM 0 HB ILE B 7 0.236 8.967 -7.950 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.456 8.251 -8.308 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.134 9.760 -9.140 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.653 11.452 -8.172 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -0.416 11.043 -6.809 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.290 11.452 -6.510 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.392 9.750 -8.184 1.00 10.00 H new ATOM 0 HD12 ILE B 7 3.396 11.001 -7.404 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.723 9.469 -6.560 1.00 10.00 H new ATOM 484 N GLU B 8 2.461 6.852 -6.126 1.00 10.00 N ATOM 485 CA GLU B 8 2.848 5.450 -6.206 1.00 10.00 C ATOM 486 C GLU B 8 2.411 4.685 -4.948 1.00 10.00 C ATOM 487 O GLU B 8 1.795 3.626 -5.042 1.00 10.00 O ATOM 488 CB GLU B 8 4.361 5.363 -6.453 1.00 10.00 C ATOM 489 CG GLU B 8 4.858 3.910 -6.565 1.00 10.00 C ATOM 490 CD GLU B 8 4.134 3.104 -7.642 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.102 3.593 -8.792 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.624 2.017 -7.294 1.00 10.00 O ATOM 0 H GLU B 8 3.251 7.496 -6.106 1.00 10.00 H new ATOM 0 HA GLU B 8 2.338 4.972 -7.042 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.608 5.899 -7.369 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.888 5.862 -5.640 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.926 3.915 -6.781 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.730 3.414 -5.603 1.00 10.00 H new ATOM 499 N ALA B 9 2.707 5.229 -3.767 1.00 10.00 N ATOM 500 CA ALA B 9 2.323 4.625 -2.496 1.00 10.00 C ATOM 501 C ALA B 9 0.798 4.463 -2.376 1.00 10.00 C ATOM 502 O ALA B 9 0.311 3.385 -2.038 1.00 10.00 O ATOM 503 CB ALA B 9 2.912 5.453 -1.354 1.00 10.00 C ATOM 0 H ALA B 9 3.222 6.104 -3.667 1.00 10.00 H new ATOM 0 HA ALA B 9 2.730 3.615 -2.441 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.630 5.009 -0.399 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.999 5.470 -1.440 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.528 6.472 -1.408 1.00 10.00 H new ATOM 509 N ARG B 10 0.041 5.520 -2.695 1.00 10.00 N ATOM 510 CA ARG B 10 -1.418 5.480 -2.798 1.00 10.00 C ATOM 511 C ARG B 10 -1.885 4.378 -3.759 1.00 10.00 C ATOM 512 O ARG B 10 -2.682 3.528 -3.371 1.00 10.00 O ATOM 513 CB ARG B 10 -1.950 6.846 -3.256 1.00 10.00 C ATOM 514 CG ARG B 10 -1.880 7.937 -2.177 1.00 10.00 C ATOM 515 CD ARG B 10 -2.982 7.797 -1.118 1.00 10.00 C ATOM 516 NE ARG B 10 -3.174 9.078 -0.416 1.00 10.00 N ATOM 517 CZ ARG B 10 -3.018 9.347 0.885 1.00 10.00 C ATOM 518 NH1 ARG B 10 -2.612 8.447 1.774 1.00 10.00 N ATOM 519 NH2 ARG B 10 -3.279 10.568 1.334 1.00 10.00 N ATOM 0 H ARG B 10 0.434 6.441 -2.891 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.819 5.250 -1.811 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.381 7.173 -4.126 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.986 6.732 -3.577 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -0.906 7.897 -1.689 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -1.959 8.916 -2.650 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -3.915 7.489 -1.591 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -2.714 7.018 -0.404 1.00 10.00 H new ATOM 0 HE ARG B 10 -3.464 9.863 -0.999 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.402 7.495 1.476 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -2.511 8.709 2.755 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -3.596 11.292 0.689 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -3.163 10.783 2.324 1.00 10.00 H new ATOM 533 N LYS B 11 -1.398 4.374 -5.005 1.00 10.00 N ATOM 534 CA LYS B 11 -1.743 3.350 -5.992 1.00 10.00 C ATOM 535 C LYS B 11 -1.439 1.932 -5.488 1.00 10.00 C ATOM 536 O LYS B 11 -2.264 1.028 -5.624 1.00 10.00 O ATOM 537 CB LYS B 11 -1.006 3.629 -7.309 1.00 10.00 C ATOM 538 CG LYS B 11 -1.609 4.828 -8.049 1.00 10.00 C ATOM 539 CD LYS B 11 -0.686 5.233 -9.204 1.00 10.00 C ATOM 540 CE LYS B 11 -1.264 6.443 -9.943 1.00 10.00 C ATOM 541 NZ LYS B 11 -0.369 6.872 -11.031 1.00 10.00 N ATOM 0 H LYS B 11 -0.753 5.082 -5.356 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.818 3.400 -6.162 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.047 3.819 -7.104 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -1.052 2.746 -7.947 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.597 4.573 -8.431 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.739 5.665 -7.363 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.306 5.472 -8.820 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.568 4.398 -9.895 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -2.243 6.191 -10.350 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -1.412 7.265 -9.243 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.782 7.693 -11.517 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 0.557 7.133 -10.636 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -0.249 6.093 -11.709 1.00 10.00 H new ATOM 555 N TYR B 12 -0.252 1.707 -4.923 1.00 10.00 N ATOM 556 CA TYR B 12 0.128 0.414 -4.361 1.00 10.00 C ATOM 557 C TYR B 12 -0.818 -0.007 -3.225 1.00 10.00 C ATOM 558 O TYR B 12 -1.394 -1.093 -3.268 1.00 10.00 O ATOM 559 CB TYR B 12 1.588 0.466 -3.898 1.00 10.00 C ATOM 560 CG TYR B 12 2.058 -0.837 -3.283 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.319 -1.947 -4.108 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.099 -0.982 -1.884 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.629 -3.192 -3.536 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.406 -2.229 -1.313 1.00 10.00 C ATOM 565 CZ TYR B 12 2.668 -3.331 -2.140 1.00 10.00 C ATOM 566 OH TYR B 12 2.959 -4.539 -1.586 1.00 10.00 O ATOM 0 H TYR B 12 0.474 2.419 -4.843 1.00 10.00 H new ATOM 0 HA TYR B 12 0.037 -0.348 -5.135 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.225 0.711 -4.748 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.705 1.269 -3.170 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.281 -1.841 -5.182 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.894 -0.134 -1.248 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.837 -4.041 -4.170 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.440 -2.338 -0.239 1.00 10.00 H new ATOM 0 HH TYR B 12 3.899 -4.555 -1.311 1.00 10.00 H new ATOM 576 N LEU B 13 -0.999 0.863 -2.223 1.00 10.00 N ATOM 577 CA LEU B 13 -1.931 0.643 -1.119 1.00 10.00 C ATOM 578 C LEU B 13 -3.336 0.304 -1.639 1.00 10.00 C ATOM 579 O LEU B 13 -3.919 -0.702 -1.245 1.00 10.00 O ATOM 580 CB LEU B 13 -1.913 1.873 -0.194 1.00 10.00 C ATOM 581 CG LEU B 13 -2.803 1.719 1.055 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.173 2.444 2.248 1.00 10.00 C ATOM 583 CD2 LEU B 13 -4.214 2.283 0.838 1.00 10.00 C ATOM 0 H LEU B 13 -0.495 1.748 -2.159 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.616 -0.222 -0.534 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.888 2.064 0.122 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.241 2.746 -0.758 1.00 10.00 H new ATOM 0 HG LEU B 13 -2.882 0.650 1.251 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -2.812 2.327 3.123 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -1.191 2.018 2.456 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.067 3.504 2.015 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.802 2.151 1.746 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -4.149 3.345 0.599 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -4.694 1.755 0.014 1.00 10.00 H new ATOM 595 N GLU B 14 -3.865 1.130 -2.546 1.00 10.00 N ATOM 596 CA GLU B 14 -5.160 0.939 -3.188 1.00 10.00 C ATOM 597 C GLU B 14 -5.269 -0.436 -3.865 1.00 10.00 C ATOM 598 O GLU B 14 -6.191 -1.196 -3.577 1.00 10.00 O ATOM 599 CB GLU B 14 -5.380 2.093 -4.175 1.00 10.00 C ATOM 600 CG GLU B 14 -6.744 2.014 -4.878 1.00 10.00 C ATOM 601 CD GLU B 14 -6.949 3.189 -5.829 1.00 10.00 C ATOM 602 OE1 GLU B 14 -6.238 3.216 -6.856 1.00 10.00 O ATOM 603 OE2 GLU B 14 -7.808 4.039 -5.507 1.00 10.00 O ATOM 0 H GLU B 14 -3.386 1.974 -2.860 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.948 0.953 -2.435 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.303 3.041 -3.643 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.588 2.083 -4.924 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -6.816 1.078 -5.433 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.539 2.004 -4.133 1.00 10.00 H new ATOM 610 N GLN B 15 -4.335 -0.767 -4.762 1.00 10.00 N ATOM 611 CA GLN B 15 -4.317 -2.060 -5.446 1.00 10.00 C ATOM 612 C GLN B 15 -4.253 -3.230 -4.454 1.00 10.00 C ATOM 613 O GLN B 15 -5.043 -4.168 -4.550 1.00 10.00 O ATOM 614 CB GLN B 15 -3.145 -2.105 -6.430 1.00 10.00 C ATOM 615 CG GLN B 15 -3.423 -1.222 -7.657 1.00 10.00 C ATOM 616 CD GLN B 15 -2.167 -1.010 -8.489 1.00 10.00 C ATOM 617 OE1 GLN B 15 -2.036 -1.513 -9.596 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.224 -0.254 -7.951 1.00 10.00 N ATOM 0 H GLN B 15 -3.572 -0.146 -5.033 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.250 -2.168 -5.999 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.235 -1.768 -5.933 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.972 -3.133 -6.749 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -4.194 -1.685 -8.272 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.812 -0.257 -7.331 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.362 0.152 -7.026 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.359 -0.077 -8.462 1.00 10.00 H new ATOM 627 N LEU B 16 -3.329 -3.179 -3.489 1.00 10.00 N ATOM 628 CA LEU B 16 -3.196 -4.217 -2.470 1.00 10.00 C ATOM 629 C LEU B 16 -4.496 -4.381 -1.663 1.00 10.00 C ATOM 630 O LEU B 16 -5.052 -5.475 -1.590 1.00 10.00 O ATOM 631 CB LEU B 16 -1.972 -3.905 -1.598 1.00 10.00 C ATOM 632 CG LEU B 16 -1.704 -4.939 -0.492 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.609 -6.372 -1.033 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.383 -4.599 0.205 1.00 10.00 C ATOM 0 H LEU B 16 -2.656 -2.418 -3.395 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.030 -5.185 -2.943 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.092 -3.838 -2.238 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.107 -2.926 -1.139 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.545 -4.895 0.200 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.419 -7.060 -0.209 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.546 -6.640 -1.521 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.794 -6.435 -1.754 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.188 -5.329 0.991 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.429 -4.622 -0.522 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.449 -3.603 0.643 1.00 10.00 H new ATOM 646 N HIS B 17 -5.020 -3.288 -1.101 1.00 10.00 N ATOM 647 CA HIS B 17 -6.317 -3.260 -0.427 1.00 10.00 C ATOM 648 C HIS B 17 -7.433 -3.856 -1.301 1.00 10.00 C ATOM 649 O HIS B 17 -8.200 -4.694 -0.835 1.00 10.00 O ATOM 650 CB HIS B 17 -6.628 -1.816 -0.023 1.00 10.00 C ATOM 651 CG HIS B 17 -7.960 -1.613 0.655 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.631 -2.508 1.462 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.703 -0.464 0.607 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.753 -1.900 1.883 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.843 -0.657 1.388 1.00 10.00 N ATOM 0 H HIS B 17 -4.546 -2.385 -1.103 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.268 -3.885 0.465 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.841 -1.465 0.644 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.593 -1.190 -0.915 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.331 -3.455 1.696 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.451 0.433 0.061 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.486 -2.353 2.534 1.00 10.00 H new ATOM 663 N ARG B 18 -7.519 -3.450 -2.571 1.00 10.00 N ATOM 664 CA ARG B 18 -8.496 -3.977 -3.520 1.00 10.00 C ATOM 665 C ARG B 18 -8.350 -5.494 -3.724 1.00 10.00 C ATOM 666 O ARG B 18 -9.334 -6.226 -3.648 1.00 10.00 O ATOM 667 CB ARG B 18 -8.400 -3.204 -4.842 1.00 10.00 C ATOM 668 CG ARG B 18 -9.535 -3.596 -5.795 1.00 10.00 C ATOM 669 CD ARG B 18 -9.458 -2.769 -7.081 1.00 10.00 C ATOM 670 NE ARG B 18 -10.556 -3.122 -7.995 1.00 10.00 N ATOM 671 CZ ARG B 18 -11.822 -2.697 -7.906 1.00 10.00 C ATOM 672 NH1 ARG B 18 -12.205 -1.875 -6.933 1.00 10.00 N ATOM 673 NH2 ARG B 18 -12.713 -3.102 -8.805 1.00 10.00 N ATOM 0 H ARG B 18 -6.905 -2.740 -2.970 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.493 -3.830 -3.105 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.441 -2.133 -4.644 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.439 -3.404 -5.315 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -9.469 -4.658 -6.033 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.498 -3.437 -5.310 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.507 -1.707 -6.840 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.500 -2.940 -7.572 1.00 10.00 H new ATOM 0 HE ARG B 18 -10.331 -3.749 -8.768 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -11.529 -1.558 -6.238 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -13.174 -1.562 -6.882 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -12.430 -3.732 -9.556 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -13.680 -2.783 -8.744 1.00 10.00 H new ATOM 687 N LYS B 19 -7.131 -5.985 -3.959 1.00 10.00 N ATOM 688 CA LYS B 19 -6.865 -7.420 -4.055 1.00 10.00 C ATOM 689 C LYS B 19 -7.315 -8.154 -2.781 1.00 10.00 C ATOM 690 O LYS B 19 -8.038 -9.148 -2.845 1.00 10.00 O ATOM 691 CB LYS B 19 -5.375 -7.639 -4.357 1.00 10.00 C ATOM 692 CG LYS B 19 -4.951 -9.117 -4.366 1.00 10.00 C ATOM 693 CD LYS B 19 -5.749 -9.950 -5.377 1.00 10.00 C ATOM 694 CE LYS B 19 -5.196 -11.377 -5.430 1.00 10.00 C ATOM 695 NZ LYS B 19 -5.966 -12.208 -6.372 1.00 10.00 N ATOM 0 H LYS B 19 -6.305 -5.401 -4.087 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.447 -7.844 -4.874 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -5.143 -7.199 -5.327 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.782 -7.106 -3.614 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -3.889 -9.186 -4.601 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.084 -9.536 -3.369 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -6.802 -9.969 -5.095 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -5.692 -9.492 -6.364 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -4.149 -11.354 -5.732 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -5.231 -11.821 -4.435 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -5.571 -13.170 -6.389 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -6.960 -12.247 -6.068 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -5.911 -11.794 -7.325 1.00 10.00 H new ATOM 709 N LEU B 20 -6.918 -7.649 -1.612 1.00 10.00 N ATOM 710 CA LEU B 20 -7.318 -8.218 -0.327 1.00 10.00 C ATOM 711 C LEU B 20 -8.841 -8.159 -0.108 1.00 10.00 C ATOM 712 O LEU B 20 -9.420 -9.083 0.453 1.00 10.00 O ATOM 713 CB LEU B 20 -6.535 -7.533 0.798 1.00 10.00 C ATOM 714 CG LEU B 20 -5.014 -7.761 0.692 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.310 -6.797 1.649 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.610 -9.204 1.013 1.00 10.00 C ATOM 0 H LEU B 20 -6.310 -6.834 -1.531 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.070 -9.279 -0.323 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.740 -6.463 0.777 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.888 -7.906 1.759 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.714 -7.574 -0.339 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.232 -6.945 1.587 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.552 -5.770 1.374 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.644 -6.988 2.669 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.529 -9.308 0.923 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.915 -9.449 2.030 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.099 -9.883 0.314 1.00 10.00 H new ATOM 728 N LYS B 21 -9.516 -7.105 -0.576 1.00 10.00 N ATOM 729 CA LYS B 21 -10.977 -7.044 -0.614 1.00 10.00 C ATOM 730 C LYS B 21 -11.557 -8.139 -1.525 1.00 10.00 C ATOM 731 O LYS B 21 -12.511 -8.821 -1.155 1.00 10.00 O ATOM 732 CB LYS B 21 -11.419 -5.643 -1.061 1.00 10.00 C ATOM 733 CG LYS B 21 -12.944 -5.475 -0.987 1.00 10.00 C ATOM 734 CD LYS B 21 -13.381 -4.031 -1.283 1.00 10.00 C ATOM 735 CE LYS B 21 -12.901 -3.499 -2.642 1.00 10.00 C ATOM 736 NZ LYS B 21 -13.275 -4.394 -3.752 1.00 10.00 N ATOM 0 H LYS B 21 -9.061 -6.268 -0.940 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.367 -7.229 0.387 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.940 -4.893 -0.432 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.083 -5.464 -2.082 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.418 -6.150 -1.700 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -13.292 -5.763 0.005 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -14.469 -3.977 -1.247 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.003 -3.379 -0.495 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -13.327 -2.511 -2.815 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -11.818 -3.380 -2.622 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -13.007 -3.956 -4.656 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -12.780 -5.303 -3.647 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.302 -4.555 -3.737 1.00 10.00 H new ATOM 750 N ASN B 22 -10.982 -8.311 -2.722 1.00 10.00 N ATOM 751 CA ASN B 22 -11.366 -9.360 -3.666 1.00 10.00 C ATOM 752 C ASN B 22 -11.154 -10.764 -3.073 1.00 10.00 C ATOM 753 O ASN B 22 -11.939 -11.672 -3.352 1.00 10.00 O ATOM 754 CB ASN B 22 -10.595 -9.177 -4.983 1.00 10.00 C ATOM 755 CG ASN B 22 -11.263 -9.818 -6.200 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.220 -9.266 -7.291 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.891 -10.979 -6.067 1.00 10.00 N ATOM 0 H ASN B 22 -10.227 -7.716 -3.063 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.433 -9.270 -3.872 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.470 -8.111 -5.172 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -9.597 -9.599 -4.867 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.339 -11.412 -6.875 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -11.926 -11.438 -5.157 1.00 10.00 H new ATOM 914 N PRO C 7 6.217 5.869 5.178 1.00 10.00 N ATOM 915 CA PRO C 7 7.257 4.846 5.070 1.00 10.00 C ATOM 916 C PRO C 7 7.046 3.666 6.026 1.00 10.00 C ATOM 917 O PRO C 7 7.275 2.516 5.661 1.00 10.00 O ATOM 918 CB PRO C 7 8.574 5.575 5.353 1.00 10.00 C ATOM 919 CG PRO C 7 8.286 6.993 4.867 1.00 10.00 C ATOM 920 CD PRO C 7 6.818 7.193 5.245 1.00 10.00 C ATOM 0 HA PRO C 7 7.244 4.391 4.080 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.828 5.554 6.413 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.409 5.125 4.816 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.931 7.725 5.352 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.444 7.092 3.793 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.724 7.617 6.245 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.326 7.883 4.559 1.00 10.00 H new ATOM 928 N GLY C 8 6.564 3.945 7.244 1.00 10.00 N ATOM 929 CA GLY C 8 6.139 2.936 8.213 1.00 10.00 C ATOM 930 C GLY C 8 5.237 1.846 7.616 1.00 10.00 C ATOM 931 O GLY C 8 5.384 0.675 7.952 1.00 10.00 O ATOM 0 H GLY C 8 6.458 4.900 7.587 1.00 10.00 H new ATOM 0 HA2 GLY C 8 7.022 2.467 8.646 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.608 3.429 9.027 1.00 10.00 H new ATOM 935 N PHE C 9 4.314 2.205 6.715 1.00 10.00 N ATOM 936 CA PHE C 9 3.490 1.232 6.001 1.00 10.00 C ATOM 937 C PHE C 9 4.344 0.341 5.088 1.00 10.00 C ATOM 938 O PHE C 9 4.262 -0.882 5.154 1.00 10.00 O ATOM 939 CB PHE C 9 2.390 1.950 5.213 1.00 10.00 C ATOM 940 CG PHE C 9 1.626 1.039 4.276 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.831 0.006 4.801 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.829 1.126 2.886 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.185 -0.894 3.937 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.171 0.237 2.021 1.00 10.00 C ATOM 945 CZ PHE C 9 0.354 -0.777 2.546 1.00 10.00 C ATOM 0 H PHE C 9 4.121 3.175 6.464 1.00 10.00 H new ATOM 0 HA PHE C 9 3.016 0.578 6.733 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.691 2.406 5.914 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.837 2.760 4.636 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.716 -0.096 5.870 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.492 1.878 2.484 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.441 -1.676 4.341 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.293 0.333 0.952 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.145 -1.467 1.881 1.00 10.00 H new ATOM 955 N THR C 10 5.196 0.939 4.253 1.00 10.00 N ATOM 956 CA THR C 10 6.135 0.194 3.412 1.00 10.00 C ATOM 957 C THR C 10 6.990 -0.768 4.249 1.00 10.00 C ATOM 958 O THR C 10 7.137 -1.941 3.911 1.00 10.00 O ATOM 959 CB THR C 10 7.012 1.178 2.624 1.00 10.00 C ATOM 960 OG1 THR C 10 6.201 2.184 2.054 1.00 10.00 O ATOM 961 CG2 THR C 10 7.769 0.477 1.495 1.00 10.00 C ATOM 0 H THR C 10 5.255 1.951 4.141 1.00 10.00 H new ATOM 0 HA THR C 10 5.569 -0.414 2.707 1.00 10.00 H new ATOM 0 HB THR C 10 7.733 1.607 3.321 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.762 2.812 1.553 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.379 1.204 0.959 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.412 -0.297 1.914 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.056 0.023 0.806 1.00 10.00 H new ATOM 969 N ALA C 11 7.527 -0.279 5.370 1.00 10.00 N ATOM 970 CA ALA C 11 8.294 -1.073 6.323 1.00 10.00 C ATOM 971 C ALA C 11 7.452 -2.195 6.960 1.00 10.00 C ATOM 972 O ALA C 11 7.914 -3.331 7.073 1.00 10.00 O ATOM 973 CB ALA C 11 8.903 -0.134 7.365 1.00 10.00 C ATOM 0 H ALA C 11 7.437 0.700 5.642 1.00 10.00 H new ATOM 0 HA ALA C 11 9.098 -1.586 5.796 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.480 -0.715 8.085 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.557 0.584 6.870 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.106 0.399 7.884 1.00 10.00 H new ATOM 979 N LEU C 12 6.203 -1.910 7.346 1.00 10.00 N ATOM 980 CA LEU C 12 5.236 -2.925 7.764 1.00 10.00 C ATOM 981 C LEU C 12 5.099 -4.011 6.694 1.00 10.00 C ATOM 982 O LEU C 12 5.346 -5.176 6.981 1.00 10.00 O ATOM 983 CB LEU C 12 3.896 -2.276 8.141 1.00 10.00 C ATOM 984 CG LEU C 12 2.855 -3.257 8.718 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.894 -2.470 9.613 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.024 -3.953 7.630 1.00 10.00 C ATOM 0 H LEU C 12 5.834 -0.959 7.376 1.00 10.00 H new ATOM 0 HA LEU C 12 5.602 -3.420 8.663 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.080 -1.489 8.872 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.476 -1.798 7.256 1.00 10.00 H new ATOM 0 HG LEU C 12 3.399 -4.025 9.267 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.149 -3.147 10.031 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.453 -2.001 10.423 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.395 -1.701 9.023 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.309 -4.631 8.096 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.487 -3.204 7.047 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.685 -4.519 6.973 1.00 10.00 H new ATOM 998 N ILE C 13 4.752 -3.652 5.455 1.00 10.00 N ATOM 999 CA ILE C 13 4.637 -4.609 4.350 1.00 10.00 C ATOM 1000 C ILE C 13 5.929 -5.423 4.159 1.00 10.00 C ATOM 1001 O ILE C 13 5.881 -6.650 4.084 1.00 10.00 O ATOM 1002 CB ILE C 13 4.197 -3.887 3.062 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.784 -3.282 3.178 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.276 -4.817 1.841 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.657 -4.300 3.394 1.00 10.00 C ATOM 0 H ILE C 13 4.543 -2.690 5.189 1.00 10.00 H new ATOM 0 HA ILE C 13 3.863 -5.334 4.603 1.00 10.00 H new ATOM 0 HB ILE C 13 4.897 -3.064 2.921 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.776 -2.573 4.006 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.572 -2.716 2.271 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.959 -4.275 0.950 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.302 -5.160 1.711 1.00 10.00 H new ATOM 0 HG23 ILE C 13 3.623 -5.676 1.995 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.703 -3.777 3.463 1.00 10.00 H new ATOM 0 HD12 ILE C 13 1.630 -4.996 2.556 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.836 -4.851 4.317 1.00 10.00 H new ATOM 1017 N LYS C 14 7.091 -4.766 4.112 1.00 10.00 N ATOM 1018 CA LYS C 14 8.379 -5.450 4.020 1.00 10.00 C ATOM 1019 C LYS C 14 8.562 -6.473 5.155 1.00 10.00 C ATOM 1020 O LYS C 14 8.853 -7.642 4.909 1.00 10.00 O ATOM 1021 CB LYS C 14 9.505 -4.407 3.995 1.00 10.00 C ATOM 1022 CG LYS C 14 10.868 -5.056 3.724 1.00 10.00 C ATOM 1023 CD LYS C 14 11.951 -3.974 3.646 1.00 10.00 C ATOM 1024 CE LYS C 14 13.316 -4.567 3.275 1.00 10.00 C ATOM 1025 NZ LYS C 14 13.817 -5.484 4.313 1.00 10.00 N ATOM 0 H LYS C 14 7.163 -3.749 4.137 1.00 10.00 H new ATOM 0 HA LYS C 14 8.413 -6.021 3.092 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.296 -3.663 3.226 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.535 -3.880 4.949 1.00 10.00 H new ATOM 0 HG2 LYS C 14 11.107 -5.766 4.516 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.834 -5.618 2.791 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.666 -3.226 2.907 1.00 10.00 H new ATOM 0 HD3 LYS C 14 12.025 -3.462 4.606 1.00 10.00 H new ATOM 0 HE2 LYS C 14 13.235 -5.100 2.328 1.00 10.00 H new ATOM 0 HE3 LYS C 14 14.034 -3.760 3.126 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 14.777 -5.797 4.065 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 13.839 -4.993 5.229 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.189 -6.311 4.378 1.00 10.00 H new ATOM 1039 N THR C 15 8.372 -6.045 6.408 1.00 10.00 N ATOM 1040 CA THR C 15 8.459 -6.938 7.567 1.00 10.00 C ATOM 1041 C THR C 15 7.372 -8.024 7.576 1.00 10.00 C ATOM 1042 O THR C 15 7.620 -9.126 8.062 1.00 10.00 O ATOM 1043 CB THR C 15 8.545 -6.172 8.897 1.00 10.00 C ATOM 1044 OG1 THR C 15 7.504 -5.231 9.058 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.884 -5.442 8.996 1.00 10.00 C ATOM 0 H THR C 15 8.155 -5.077 6.645 1.00 10.00 H new ATOM 0 HA THR C 15 9.404 -7.471 7.460 1.00 10.00 H new ATOM 0 HB THR C 15 8.449 -6.916 9.688 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.646 -4.478 8.447 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.935 -4.902 9.942 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.698 -6.166 8.947 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.976 -4.736 8.170 1.00 10.00 H new ATOM 1053 N LEU C 16 6.194 -7.760 7.000 1.00 10.00 N ATOM 1054 CA LEU C 16 5.160 -8.766 6.759 1.00 10.00 C ATOM 1055 C LEU C 16 5.689 -9.841 5.807 1.00 10.00 C ATOM 1056 O LEU C 16 5.711 -11.016 6.160 1.00 10.00 O ATOM 1057 CB LEU C 16 3.875 -8.095 6.240 1.00 10.00 C ATOM 1058 CG LEU C 16 2.602 -8.937 6.433 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.381 -8.021 6.302 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.475 -10.066 5.403 1.00 10.00 C ATOM 0 H LEU C 16 5.931 -6.827 6.684 1.00 10.00 H new ATOM 0 HA LEU C 16 4.903 -9.262 7.695 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.746 -7.140 6.749 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.995 -7.877 5.179 1.00 10.00 H new ATOM 0 HG LEU C 16 2.661 -9.395 7.421 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.471 -8.606 6.437 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.427 -7.242 7.063 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.374 -7.563 5.313 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.558 -10.626 5.588 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.444 -9.641 4.400 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.332 -10.734 5.488 1.00 10.00 H new ATOM 1072 N ARG C 17 6.158 -9.441 4.621 1.00 10.00 N ATOM 1073 CA ARG C 17 6.767 -10.367 3.669 1.00 10.00 C ATOM 1074 C ARG C 17 7.920 -11.161 4.295 1.00 10.00 C ATOM 1075 O ARG C 17 7.971 -12.380 4.157 1.00 10.00 O ATOM 1076 CB ARG C 17 7.220 -9.627 2.406 1.00 10.00 C ATOM 1077 CG ARG C 17 6.017 -9.139 1.584 1.00 10.00 C ATOM 1078 CD ARG C 17 6.459 -8.716 0.180 1.00 10.00 C ATOM 1079 NE ARG C 17 6.960 -9.879 -0.567 1.00 10.00 N ATOM 1080 CZ ARG C 17 7.518 -9.868 -1.778 1.00 10.00 C ATOM 1081 NH1 ARG C 17 7.607 -8.747 -2.488 1.00 10.00 N ATOM 1082 NH2 ARG C 17 7.993 -11.009 -2.266 1.00 10.00 N ATOM 0 H ARG C 17 6.126 -8.474 4.298 1.00 10.00 H new ATOM 0 HA ARG C 17 6.004 -11.092 3.384 1.00 10.00 H new ATOM 0 HB2 ARG C 17 7.843 -8.777 2.684 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.836 -10.288 1.796 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.272 -9.932 1.513 1.00 10.00 H new ATOM 0 HG3 ARG C 17 5.541 -8.299 2.090 1.00 10.00 H new ATOM 0 HD2 ARG C 17 5.621 -8.266 -0.353 1.00 10.00 H new ATOM 0 HD3 ARG C 17 7.238 -7.956 0.249 1.00 10.00 H new ATOM 0 HE ARG C 17 6.872 -10.788 -0.112 1.00 10.00 H new ATOM 0 HH11 ARG C 17 7.244 -7.873 -2.108 1.00 10.00 H new ATOM 0 HH12 ARG C 17 8.038 -8.762 -3.412 1.00 10.00 H new ATOM 0 HH21 ARG C 17 7.926 -11.866 -1.717 1.00 10.00 H new ATOM 0 HH22 ARG C 17 8.425 -11.028 -3.190 1.00 10.00 H new ATOM 1096 N LYS C 18 8.819 -10.490 5.023 1.00 10.00 N ATOM 1097 CA LYS C 18 9.862 -11.150 5.807 1.00 10.00 C ATOM 1098 C LYS C 18 9.268 -12.217 6.745 1.00 10.00 C ATOM 1099 O LYS C 18 9.595 -13.393 6.620 1.00 10.00 O ATOM 1100 CB LYS C 18 10.659 -10.091 6.581 1.00 10.00 C ATOM 1101 CG LYS C 18 11.827 -10.696 7.375 1.00 10.00 C ATOM 1102 CD LYS C 18 12.294 -9.789 8.524 1.00 10.00 C ATOM 1103 CE LYS C 18 11.539 -10.046 9.840 1.00 10.00 C ATOM 1104 NZ LYS C 18 10.121 -9.660 9.775 1.00 10.00 N ATOM 0 H LYS C 18 8.842 -9.472 5.084 1.00 10.00 H new ATOM 0 HA LYS C 18 10.539 -11.674 5.133 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.045 -9.349 5.882 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.992 -9.567 7.265 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.525 -11.662 7.780 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.663 -10.881 6.700 1.00 10.00 H new ATOM 0 HD2 LYS C 18 13.361 -9.941 8.688 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.161 -8.747 8.233 1.00 10.00 H new ATOM 0 HE2 LYS C 18 11.610 -11.104 10.093 1.00 10.00 H new ATOM 0 HE3 LYS C 18 12.024 -9.493 10.644 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 9.712 -9.679 10.731 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 10.040 -8.700 9.383 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 9.607 -10.328 9.165 1.00 10.00 H new ATOM 1118 N CYS C 19 8.377 -11.825 7.666 1.00 10.00 N ATOM 1119 CA CYS C 19 7.729 -12.743 8.607 1.00 10.00 C ATOM 1120 C CYS C 19 7.078 -13.944 7.893 1.00 10.00 C ATOM 1121 O CYS C 19 7.214 -15.089 8.315 1.00 10.00 O ATOM 1122 CB CYS C 19 6.688 -11.975 9.435 1.00 10.00 C ATOM 1123 SG CYS C 19 5.941 -12.977 10.742 1.00 10.00 S ATOM 0 H CYS C 19 8.085 -10.854 7.778 1.00 10.00 H new ATOM 0 HA CYS C 19 8.496 -13.148 9.267 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.161 -11.100 9.882 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.903 -11.609 8.772 1.00 10.00 H new ATOM 0 HG CYS C 19 5.076 -12.261 11.397 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.900 8.693 16.757 1.00 10.00 N ATOM 1279 CA ILE D 7 -3.037 8.039 17.745 1.00 10.00 C ATOM 1280 C ILE D 7 -3.227 6.514 17.750 1.00 10.00 C ATOM 1281 O ILE D 7 -2.241 5.778 17.765 1.00 10.00 O ATOM 1282 CB ILE D 7 -3.131 8.675 19.145 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.495 8.444 19.813 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -2.773 10.168 19.061 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -4.605 9.086 21.199 1.00 10.00 C ATOM 0 HA ILE D 7 -2.009 8.216 17.429 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.406 8.178 19.790 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -5.279 8.845 19.171 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -4.672 7.372 19.901 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -2.841 10.615 20.053 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.757 10.278 18.682 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -3.467 10.671 18.388 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -5.592 8.886 21.615 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -3.842 8.667 21.856 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -4.459 10.163 21.114 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.470 6.025 17.685 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.729 4.592 17.582 1.00 10.00 C ATOM 1299 C GLU D 8 -4.089 3.990 16.319 1.00 10.00 C ATOM 1300 O GLU D 8 -3.406 2.971 16.400 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.240 4.322 17.653 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.849 4.682 19.022 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.225 3.930 20.194 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.070 2.696 20.068 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.908 4.606 21.197 1.00 10.00 O ATOM 0 H GLU D 8 -5.310 6.604 17.702 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.260 4.093 18.430 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.744 4.895 16.875 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.426 3.269 17.444 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.735 5.753 19.189 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -7.919 4.475 18.998 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.266 4.628 15.156 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.631 4.206 13.910 1.00 10.00 C ATOM 1314 C ALA D 9 -2.101 4.150 14.029 1.00 10.00 C ATOM 1315 O ALA D 9 -1.497 3.141 13.674 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.079 5.119 12.766 1.00 10.00 C ATOM 0 H ALA D 9 -4.856 5.454 15.056 1.00 10.00 H new ATOM 0 HA ALA D 9 -3.953 3.188 13.690 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -3.603 4.801 11.839 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.162 5.061 12.657 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -3.792 6.147 12.987 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.471 5.209 14.550 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.033 5.236 14.830 1.00 10.00 C ATOM 1324 C ARG D 10 0.401 4.075 15.740 1.00 10.00 C ATOM 1325 O ARG D 10 1.306 3.315 15.392 1.00 10.00 O ATOM 1326 CB ARG D 10 0.354 6.580 15.466 1.00 10.00 C ATOM 1327 CG ARG D 10 0.362 7.739 14.462 1.00 10.00 C ATOM 1328 CD ARG D 10 0.629 9.043 15.220 1.00 10.00 C ATOM 1329 NE ARG D 10 0.825 10.177 14.303 1.00 10.00 N ATOM 1330 CZ ARG D 10 0.943 11.454 14.685 1.00 10.00 C ATOM 1331 NH1 ARG D 10 0.853 11.790 15.971 1.00 10.00 N ATOM 1332 NH2 ARG D 10 1.154 12.409 13.786 1.00 10.00 N ATOM 0 H ARG D 10 -1.949 6.077 14.791 1.00 10.00 H new ATOM 0 HA ARG D 10 0.488 5.118 13.880 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.344 6.809 16.271 1.00 10.00 H new ATOM 0 HB3 ARG D 10 1.342 6.491 15.917 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.130 7.578 13.705 1.00 10.00 H new ATOM 0 HG3 ARG D 10 -0.594 7.794 13.940 1.00 10.00 H new ATOM 0 HD2 ARG D 10 -0.208 9.254 15.886 1.00 10.00 H new ATOM 0 HD3 ARG D 10 1.513 8.925 15.846 1.00 10.00 H new ATOM 0 HE ARG D 10 0.874 9.975 13.304 1.00 10.00 H new ATOM 0 HH11 ARG D 10 0.693 11.071 16.676 1.00 10.00 H new ATOM 0 HH12 ARG D 10 0.945 12.767 16.251 1.00 10.00 H new ATOM 0 HH21 ARG D 10 1.227 12.171 12.797 1.00 10.00 H new ATOM 0 HH22 ARG D 10 1.243 13.380 14.085 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.232 3.934 16.910 1.00 10.00 N ATOM 1347 CA LYS D 11 0.078 2.860 17.851 1.00 10.00 C ATOM 1348 C LYS D 11 -0.080 1.476 17.206 1.00 10.00 C ATOM 1349 O LYS D 11 0.820 0.644 17.307 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.787 2.993 19.112 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.345 4.192 19.967 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.105 4.271 21.299 1.00 10.00 C ATOM 1353 CE LYS D 11 -2.605 4.499 21.090 1.00 10.00 C ATOM 1354 NZ LYS D 11 -3.289 4.746 22.370 1.00 10.00 N ATOM 0 H LYS D 11 -0.971 4.561 17.228 1.00 10.00 H new ATOM 0 HA LYS D 11 1.125 2.955 18.140 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.833 3.112 18.828 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.719 2.078 19.701 1.00 10.00 H new ATOM 0 HG2 LYS D 11 0.724 4.119 20.165 1.00 10.00 H new ATOM 0 HG3 LYS D 11 -0.503 5.113 19.406 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -0.953 3.348 21.859 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.696 5.081 21.903 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -2.757 5.348 20.424 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -3.043 3.628 20.602 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -4.317 4.762 22.217 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -3.051 3.989 23.042 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -2.982 5.661 22.757 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.198 1.226 16.520 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.419 -0.036 15.823 1.00 10.00 C ATOM 1370 C TYR D 12 -0.362 -0.283 14.738 1.00 10.00 C ATOM 1371 O TYR D 12 0.249 -1.347 14.711 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.839 -0.093 15.250 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.184 -1.467 14.708 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -2.905 -1.790 13.366 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.619 -2.473 15.591 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.079 -3.108 12.910 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.810 -3.786 15.127 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.543 -4.100 13.786 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.748 -5.370 13.339 1.00 10.00 O ATOM 0 H TYR D 12 -1.968 1.889 16.434 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.315 -0.841 16.551 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.554 0.179 16.027 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.937 0.645 14.454 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -2.557 -1.025 12.687 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -3.807 -2.235 16.628 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -2.855 -3.357 11.883 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -4.162 -4.552 15.802 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.069 -5.929 14.077 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.128 0.695 13.854 1.00 10.00 N ATOM 1390 CA LEU D 13 0.931 0.653 12.843 1.00 10.00 C ATOM 1391 C LEU D 13 2.267 0.230 13.468 1.00 10.00 C ATOM 1392 O LEU D 13 2.854 -0.776 13.068 1.00 10.00 O ATOM 1393 CB LEU D 13 1.015 2.029 12.155 1.00 10.00 C ATOM 1394 CG LEU D 13 2.180 2.205 11.167 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.124 1.187 10.027 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.127 3.618 10.576 1.00 10.00 C ATOM 0 H LEU D 13 -0.680 1.552 13.822 1.00 10.00 H new ATOM 0 HA LEU D 13 0.696 -0.097 12.087 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.080 2.208 11.623 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.095 2.796 12.925 1.00 10.00 H new ATOM 0 HG LEU D 13 3.109 2.046 11.715 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.966 1.348 9.353 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.176 0.178 10.437 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.191 1.308 9.477 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.951 3.750 9.874 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.180 3.759 10.055 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.213 4.351 11.378 1.00 10.00 H new ATOM 1408 N GLU D 14 2.716 0.980 14.481 1.00 10.00 N ATOM 1409 CA GLU D 14 3.923 0.686 15.246 1.00 10.00 C ATOM 1410 C GLU D 14 3.915 -0.753 15.788 1.00 10.00 C ATOM 1411 O GLU D 14 4.808 -1.537 15.479 1.00 10.00 O ATOM 1412 CB GLU D 14 4.067 1.752 16.344 1.00 10.00 C ATOM 1413 CG GLU D 14 5.346 1.606 17.190 1.00 10.00 C ATOM 1414 CD GLU D 14 5.276 0.492 18.233 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.335 0.541 19.055 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.162 -0.387 18.190 1.00 10.00 O ATOM 0 H GLU D 14 2.237 1.824 14.795 1.00 10.00 H new ATOM 0 HA GLU D 14 4.801 0.734 14.602 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.059 2.739 15.882 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.200 1.701 17.002 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.189 1.416 16.526 1.00 10.00 H new ATOM 0 HG3 GLU D 14 5.545 2.551 17.695 1.00 10.00 H new ATOM 1423 N GLN D 15 2.913 -1.109 16.596 1.00 10.00 N ATOM 1424 CA GLN D 15 2.806 -2.420 17.230 1.00 10.00 C ATOM 1425 C GLN D 15 2.836 -3.564 16.208 1.00 10.00 C ATOM 1426 O GLN D 15 3.530 -4.563 16.409 1.00 10.00 O ATOM 1427 CB GLN D 15 1.533 -2.448 18.092 1.00 10.00 C ATOM 1428 CG GLN D 15 1.359 -3.744 18.907 1.00 10.00 C ATOM 1429 CD GLN D 15 0.563 -4.831 18.186 1.00 10.00 C ATOM 1430 OE1 GLN D 15 -0.655 -4.892 18.289 1.00 10.00 O ATOM 1431 NE2 GLN D 15 1.223 -5.722 17.463 1.00 10.00 N ATOM 0 H GLN D 15 2.143 -0.483 16.830 1.00 10.00 H new ATOM 0 HA GLN D 15 3.675 -2.578 17.868 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.551 -1.600 18.776 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.665 -2.318 17.445 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.344 -4.137 19.160 1.00 10.00 H new ATOM 0 HG3 GLN D 15 0.860 -3.506 19.846 1.00 10.00 H new ATOM 0 HE21 GLN D 15 2.238 -5.663 17.383 1.00 10.00 H new ATOM 0 HE22 GLN D 15 0.716 -6.468 16.986 1.00 10.00 H new ATOM 1440 N LEU D 16 2.049 -3.450 15.139 1.00 10.00 N ATOM 1441 CA LEU D 16 1.912 -4.481 14.115 1.00 10.00 C ATOM 1442 C LEU D 16 3.232 -4.629 13.339 1.00 10.00 C ATOM 1443 O LEU D 16 3.792 -5.723 13.255 1.00 10.00 O ATOM 1444 CB LEU D 16 0.692 -4.131 13.240 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.001 -5.290 12.502 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.889 -5.953 11.455 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.552 -6.348 13.466 1.00 10.00 C ATOM 0 H LEU D 16 1.479 -2.623 14.958 1.00 10.00 H new ATOM 0 HA LEU D 16 1.724 -5.463 14.549 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.049 -3.643 13.873 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.008 -3.399 12.497 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.838 -4.829 11.978 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.341 -6.762 10.971 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.183 -5.216 10.708 1.00 10.00 H new ATOM 0 HD13 LEU D 16 1.780 -6.356 11.937 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -1.031 -7.144 12.897 1.00 10.00 H new ATOM 0 HD22 LEU D 16 0.265 -6.764 14.055 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -1.282 -5.888 14.132 1.00 10.00 H new ATOM 1459 N HIS D 17 3.782 -3.516 12.839 1.00 10.00 N ATOM 1460 CA HIS D 17 5.107 -3.494 12.221 1.00 10.00 C ATOM 1461 C HIS D 17 6.180 -4.105 13.139 1.00 10.00 C ATOM 1462 O HIS D 17 6.972 -4.940 12.701 1.00 10.00 O ATOM 1463 CB HIS D 17 5.451 -2.050 11.846 1.00 10.00 C ATOM 1464 CG HIS D 17 6.797 -1.867 11.195 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.557 -2.827 10.557 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.502 -0.693 11.167 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.697 -2.234 10.166 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.711 -0.938 10.514 1.00 10.00 N ATOM 0 H HIS D 17 3.319 -2.607 12.853 1.00 10.00 H new ATOM 0 HA HIS D 17 5.089 -4.110 11.322 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.683 -1.673 11.171 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.413 -1.437 12.747 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.301 -3.803 10.410 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.180 0.253 11.577 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.497 -2.734 9.641 1.00 10.00 H new ATOM 1476 N ARG D 18 6.200 -3.707 14.416 1.00 10.00 N ATOM 1477 CA ARG D 18 7.112 -4.254 15.414 1.00 10.00 C ATOM 1478 C ARG D 18 6.942 -5.773 15.558 1.00 10.00 C ATOM 1479 O ARG D 18 7.922 -6.510 15.478 1.00 10.00 O ATOM 1480 CB ARG D 18 6.935 -3.531 16.758 1.00 10.00 C ATOM 1481 CG ARG D 18 8.026 -3.982 17.736 1.00 10.00 C ATOM 1482 CD ARG D 18 7.848 -3.407 19.143 1.00 10.00 C ATOM 1483 NE ARG D 18 9.012 -3.731 19.987 1.00 10.00 N ATOM 1484 CZ ARG D 18 9.414 -4.958 20.341 1.00 10.00 C ATOM 1485 NH1 ARG D 18 8.655 -6.026 20.127 1.00 10.00 N ATOM 1486 NH2 ARG D 18 10.609 -5.124 20.898 1.00 10.00 N ATOM 0 H ARG D 18 5.576 -2.989 14.784 1.00 10.00 H new ATOM 0 HA ARG D 18 8.133 -4.082 15.073 1.00 10.00 H new ATOM 0 HB2 ARG D 18 6.988 -2.452 16.611 1.00 10.00 H new ATOM 0 HB3 ARG D 18 5.950 -3.748 17.172 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.027 -5.071 17.793 1.00 10.00 H new ATOM 0 HG3 ARG D 18 8.999 -3.682 17.348 1.00 10.00 H new ATOM 0 HD2 ARG D 18 7.723 -2.326 19.087 1.00 10.00 H new ATOM 0 HD3 ARG D 18 6.941 -3.810 19.594 1.00 10.00 H new ATOM 0 HE ARG D 18 9.563 -2.946 20.334 1.00 10.00 H new ATOM 0 HH11 ARG D 18 7.742 -5.922 19.683 1.00 10.00 H new ATOM 0 HH12 ARG D 18 8.985 -6.950 20.406 1.00 10.00 H new ATOM 0 HH21 ARG D 18 11.215 -4.319 21.054 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.920 -6.057 21.170 1.00 10.00 H new ATOM 1500 N LYS D 19 5.712 -6.255 15.771 1.00 10.00 N ATOM 1501 CA LYS D 19 5.417 -7.685 15.859 1.00 10.00 C ATOM 1502 C LYS D 19 5.973 -8.450 14.648 1.00 10.00 C ATOM 1503 O LYS D 19 6.676 -9.446 14.804 1.00 10.00 O ATOM 1504 CB LYS D 19 3.904 -7.883 16.024 1.00 10.00 C ATOM 1505 CG LYS D 19 3.534 -9.366 16.149 1.00 10.00 C ATOM 1506 CD LYS D 19 2.029 -9.507 16.415 1.00 10.00 C ATOM 1507 CE LYS D 19 1.594 -10.976 16.411 1.00 10.00 C ATOM 1508 NZ LYS D 19 2.235 -11.742 17.495 1.00 10.00 N ATOM 0 H LYS D 19 4.892 -5.660 15.887 1.00 10.00 H new ATOM 0 HA LYS D 19 5.916 -8.100 16.735 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.562 -7.347 16.909 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.385 -7.450 15.169 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.802 -9.895 15.234 1.00 10.00 H new ATOM 0 HG3 LYS D 19 4.100 -9.824 16.960 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.785 -9.057 17.377 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.471 -8.959 15.656 1.00 10.00 H new ATOM 0 HE2 LYS D 19 0.511 -11.034 16.517 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.845 -11.426 15.451 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.851 -12.709 17.511 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 3.262 -11.780 17.333 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 2.045 -11.279 18.407 1.00 10.00 H new ATOM 1522 N LEU D 20 5.692 -7.961 13.439 1.00 10.00 N ATOM 1523 CA LEU D 20 6.246 -8.522 12.209 1.00 10.00 C ATOM 1524 C LEU D 20 7.782 -8.516 12.217 1.00 10.00 C ATOM 1525 O LEU D 20 8.409 -9.555 12.016 1.00 10.00 O ATOM 1526 CB LEU D 20 5.671 -7.757 11.014 1.00 10.00 C ATOM 1527 CG LEU D 20 4.307 -8.283 10.536 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.352 -8.764 11.638 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.650 -7.163 9.724 1.00 10.00 C ATOM 0 H LEU D 20 5.073 -7.164 13.287 1.00 10.00 H new ATOM 0 HA LEU D 20 5.956 -9.570 12.130 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.570 -6.705 11.283 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.379 -7.808 10.187 1.00 10.00 H new ATOM 0 HG LEU D 20 4.501 -9.180 9.948 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.423 -9.113 11.187 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.816 -9.581 12.191 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.138 -7.940 12.319 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.676 -7.497 9.365 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.522 -6.283 10.355 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.283 -6.911 8.873 1.00 10.00 H new ATOM 1541 N LYS D 21 8.417 -7.371 12.488 1.00 10.00 N ATOM 1542 CA LYS D 21 9.871 -7.298 12.652 1.00 10.00 C ATOM 1543 C LYS D 21 10.390 -8.363 13.635 1.00 10.00 C ATOM 1544 O LYS D 21 11.356 -9.070 13.347 1.00 10.00 O ATOM 1545 CB LYS D 21 10.265 -5.875 13.080 1.00 10.00 C ATOM 1546 CG LYS D 21 11.765 -5.699 13.357 1.00 10.00 C ATOM 1547 CD LYS D 21 12.630 -6.030 12.131 1.00 10.00 C ATOM 1548 CE LYS D 21 14.108 -5.721 12.397 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.666 -6.597 13.443 1.00 10.00 N ATOM 0 H LYS D 21 7.941 -6.476 12.599 1.00 10.00 H new ATOM 0 HA LYS D 21 10.345 -7.517 11.695 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.966 -5.176 12.299 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.707 -5.609 13.977 1.00 10.00 H new ATOM 0 HG2 LYS D 21 11.956 -4.672 13.667 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.056 -6.342 14.188 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.516 -7.084 11.876 1.00 10.00 H new ATOM 0 HD3 LYS D 21 12.284 -5.455 11.272 1.00 10.00 H new ATOM 0 HE2 LYS D 21 14.678 -5.845 11.476 1.00 10.00 H new ATOM 0 HE3 LYS D 21 14.214 -4.679 12.700 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.689 -6.431 13.526 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.207 -6.388 14.352 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 14.496 -7.591 13.190 1.00 10.00 H new ATOM 1563 N ASN D 22 9.714 -8.514 14.780 1.00 10.00 N ATOM 1564 CA ASN D 22 10.055 -9.484 15.820 1.00 10.00 C ATOM 1565 C ASN D 22 9.964 -10.946 15.351 1.00 10.00 C ATOM 1566 O ASN D 22 10.530 -11.813 16.010 1.00 10.00 O ATOM 1567 CB ASN D 22 9.213 -9.246 17.087 1.00 10.00 C ATOM 1568 CG ASN D 22 9.731 -8.099 17.952 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.012 -8.267 19.133 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.837 -6.900 17.407 1.00 10.00 N ATOM 0 H ASN D 22 8.896 -7.951 15.012 1.00 10.00 H new ATOM 0 HA ASN D 22 11.105 -9.318 16.062 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.184 -9.036 16.796 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.196 -10.160 17.680 1.00 10.00 H new ATOM 0 HD21 ASN D 22 10.154 -6.110 17.970 1.00 10.00 H new ATOM 0 HD22 ASN D 22 9.602 -6.764 16.424 1.00 10.00 H new