USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot 180:sc=-0.00485 USER MOD Set 1.2: A 45 MET CE :methyl -128:sc= -8.32! (180deg=-14.3!) USER MOD Single : A 6 THR OG1 : rot 37:sc= 0.749 USER MOD Single : A 9 GLN : amide:sc= -0.928 K(o=-0.93,f=-4.5!) USER MOD Single : A 13 SER OG : rot 105:sc= 0.858 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -7.02! C(o=-7!,f=-15!) USER MOD Single : A 39 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.2!) USER MOD Single : A 40 TYR OH : rot 15:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -1.14 (180deg=-1.36) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -161:sc= -2.38! USER MOD Single : A 65 SER OG : rot -54:sc= 0.375 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -164:sc= -0.111 (180deg=-0.616) USER MOD Single : B 9 LYS NZ :NH3+ 145:sc= 0.881 (180deg=-0.181) USER MOD Single : B 15 THR OG1 : rot 85:sc= 0.101 USER MOD Single : B 22 GLN : amide:sc= -2.44 K(o=-2.4,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.648 -8.693 9.037 1.00 0.00 N ATOM 67 CA THR A 6 1.837 -8.585 9.932 1.00 0.00 C ATOM 68 C THR A 6 3.006 -9.394 9.361 1.00 0.00 C ATOM 69 O THR A 6 4.057 -8.860 9.068 1.00 0.00 O ATOM 70 CB THR A 6 1.380 -9.169 11.270 1.00 0.00 C ATOM 71 OG1 THR A 6 0.026 -8.808 11.503 1.00 0.00 O ATOM 72 CG2 THR A 6 2.259 -8.620 12.394 1.00 0.00 C ATOM 0 HA THR A 6 2.185 -7.557 10.034 1.00 0.00 H new ATOM 0 HB THR A 6 1.467 -10.255 11.243 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.465 -8.815 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.933 -9.036 13.347 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.297 -8.898 12.213 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.174 -7.534 12.425 1.00 0.00 H new ATOM 80 N ALA A 7 2.827 -10.676 9.193 1.00 0.00 N ATOM 81 CA ALA A 7 3.928 -11.511 8.632 1.00 0.00 C ATOM 82 C ALA A 7 4.162 -11.129 7.173 1.00 0.00 C ATOM 83 O ALA A 7 5.282 -11.078 6.701 1.00 0.00 O ATOM 84 CB ALA A 7 3.432 -12.955 8.742 1.00 0.00 C ATOM 0 H ALA A 7 1.970 -11.180 9.419 1.00 0.00 H new ATOM 0 HA ALA A 7 4.872 -11.373 9.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.190 -13.631 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.240 -13.195 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.512 -13.068 8.169 1.00 0.00 H new ATOM 90 N GLU A 8 3.109 -10.847 6.457 1.00 0.00 N ATOM 91 CA GLU A 8 3.258 -10.449 5.032 1.00 0.00 C ATOM 92 C GLU A 8 4.114 -9.186 4.937 1.00 0.00 C ATOM 93 O GLU A 8 4.890 -9.014 4.017 1.00 0.00 O ATOM 94 CB GLU A 8 1.836 -10.175 4.543 1.00 0.00 C ATOM 95 CG GLU A 8 1.816 -10.156 3.014 1.00 0.00 C ATOM 96 CD GLU A 8 2.157 -11.550 2.481 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.994 -12.503 3.225 1.00 0.00 O ATOM 98 OE2 GLU A 8 2.577 -11.639 1.340 1.00 0.00 O ATOM 0 H GLU A 8 2.149 -10.876 6.800 1.00 0.00 H new ATOM 0 HA GLU A 8 3.748 -11.217 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.158 -10.942 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.484 -9.220 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.833 -9.849 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.534 -9.426 2.639 1.00 0.00 H new ATOM 105 N GLN A 9 3.975 -8.297 5.883 1.00 0.00 N ATOM 106 CA GLN A 9 4.776 -7.040 5.849 1.00 0.00 C ATOM 107 C GLN A 9 6.270 -7.368 5.910 1.00 0.00 C ATOM 108 O GLN A 9 7.063 -6.834 5.159 1.00 0.00 O ATOM 109 CB GLN A 9 4.347 -6.261 7.093 1.00 0.00 C ATOM 110 CG GLN A 9 4.146 -4.789 6.729 1.00 0.00 C ATOM 111 CD GLN A 9 2.871 -4.638 5.897 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.773 -5.173 4.812 1.00 0.00 O ATOM 113 NE2 GLN A 9 1.883 -3.925 6.364 1.00 0.00 N ATOM 0 H GLN A 9 3.342 -8.387 6.678 1.00 0.00 H new ATOM 0 HA GLN A 9 4.611 -6.469 4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.423 -6.677 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.104 -6.354 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.076 -4.186 7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.005 -4.422 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.965 -3.475 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.029 -3.817 5.817 1.00 0.00 H new ATOM 122 N VAL A 10 6.663 -8.248 6.791 1.00 0.00 N ATOM 123 CA VAL A 10 8.107 -8.608 6.884 1.00 0.00 C ATOM 124 C VAL A 10 8.569 -9.228 5.563 1.00 0.00 C ATOM 125 O VAL A 10 9.624 -8.910 5.052 1.00 0.00 O ATOM 126 CB VAL A 10 8.194 -9.629 8.018 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.662 -9.921 8.331 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.511 -9.063 9.265 1.00 0.00 C ATOM 0 H VAL A 10 6.050 -8.731 7.447 1.00 0.00 H new ATOM 0 HA VAL A 10 8.741 -7.742 7.075 1.00 0.00 H new ATOM 0 HB VAL A 10 7.697 -10.551 7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.724 -10.649 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.150 -10.323 7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.160 -9.000 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.572 -9.790 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.009 -8.142 9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.464 -8.854 9.043 1.00 0.00 H new ATOM 138 N ILE A 11 7.779 -10.103 5.003 1.00 0.00 N ATOM 139 CA ILE A 11 8.164 -10.734 3.710 1.00 0.00 C ATOM 140 C ILE A 11 8.395 -9.646 2.663 1.00 0.00 C ATOM 141 O ILE A 11 9.407 -9.621 1.991 1.00 0.00 O ATOM 142 CB ILE A 11 6.971 -11.611 3.323 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.881 -12.801 4.282 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.156 -12.123 1.894 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.749 -13.729 3.838 1.00 0.00 C ATOM 0 H ILE A 11 6.884 -10.408 5.385 1.00 0.00 H new ATOM 0 HA ILE A 11 9.082 -11.317 3.783 1.00 0.00 H new ATOM 0 HB ILE A 11 6.054 -11.024 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.826 -13.343 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.701 -12.450 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.306 -12.748 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.221 -11.277 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.072 -12.710 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.684 -14.576 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.806 -13.183 3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.949 -14.090 2.829 1.00 0.00 H new ATOM 157 N ALA A 12 7.471 -8.734 2.531 1.00 0.00 N ATOM 158 CA ALA A 12 7.649 -7.636 1.541 1.00 0.00 C ATOM 159 C ALA A 12 8.910 -6.847 1.892 1.00 0.00 C ATOM 160 O ALA A 12 9.694 -6.494 1.035 1.00 0.00 O ATOM 161 CB ALA A 12 6.406 -6.759 1.686 1.00 0.00 C ATOM 0 H ALA A 12 6.603 -8.702 3.065 1.00 0.00 H new ATOM 0 HA ALA A 12 7.760 -8.000 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.465 -5.926 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.516 -7.351 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.349 -6.374 2.704 1.00 0.00 H new ATOM 167 N SER A 13 9.118 -6.588 3.155 1.00 0.00 N ATOM 168 CA SER A 13 10.337 -5.843 3.569 1.00 0.00 C ATOM 169 C SER A 13 11.571 -6.690 3.261 1.00 0.00 C ATOM 170 O SER A 13 12.575 -6.196 2.783 1.00 0.00 O ATOM 171 CB SER A 13 10.187 -5.635 5.074 1.00 0.00 C ATOM 172 OG SER A 13 8.864 -5.197 5.359 1.00 0.00 O ATOM 0 H SER A 13 8.496 -6.861 3.916 1.00 0.00 H new ATOM 0 HA SER A 13 10.451 -4.893 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.397 -6.564 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.910 -4.898 5.425 1.00 0.00 H new ATOM 0 HG SER A 13 8.353 -5.935 5.753 1.00 0.00 H new ATOM 178 N PHE A 14 11.498 -7.969 3.518 1.00 0.00 N ATOM 179 CA PHE A 14 12.661 -8.853 3.225 1.00 0.00 C ATOM 180 C PHE A 14 12.851 -8.957 1.712 1.00 0.00 C ATOM 181 O PHE A 14 13.957 -8.920 1.209 1.00 0.00 O ATOM 182 CB PHE A 14 12.290 -10.213 3.817 1.00 0.00 C ATOM 183 CG PHE A 14 12.834 -10.313 5.222 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.170 -9.981 5.482 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.003 -10.737 6.266 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.673 -10.073 6.784 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.507 -10.828 7.569 1.00 0.00 C ATOM 188 CZ PHE A 14 13.842 -10.496 7.828 1.00 0.00 C ATOM 0 H PHE A 14 10.685 -8.438 3.917 1.00 0.00 H new ATOM 0 HA PHE A 14 13.593 -8.475 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.207 -10.335 3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.697 -11.014 3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.812 -9.654 4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.973 -10.994 6.066 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.703 -9.818 6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.866 -11.154 8.374 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.231 -10.566 8.833 1.00 0.00 H new ATOM 198 N ARG A 15 11.776 -9.077 0.981 1.00 0.00 N ATOM 199 CA ARG A 15 11.890 -9.172 -0.500 1.00 0.00 C ATOM 200 C ARG A 15 12.706 -7.991 -1.029 1.00 0.00 C ATOM 201 O ARG A 15 13.566 -8.146 -1.873 1.00 0.00 O ATOM 202 CB ARG A 15 10.450 -9.108 -1.011 1.00 0.00 C ATOM 203 CG ARG A 15 10.353 -9.823 -2.360 1.00 0.00 C ATOM 204 CD ARG A 15 10.214 -8.788 -3.477 1.00 0.00 C ATOM 205 NE ARG A 15 8.803 -8.317 -3.393 1.00 0.00 N ATOM 206 CZ ARG A 15 7.825 -9.100 -3.763 1.00 0.00 C ATOM 207 NH1 ARG A 15 8.079 -10.301 -4.208 1.00 0.00 N ATOM 208 NH2 ARG A 15 6.592 -8.680 -3.690 1.00 0.00 N ATOM 0 H ARG A 15 10.824 -9.113 1.347 1.00 0.00 H new ATOM 0 HA ARG A 15 12.393 -10.082 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.777 -9.574 -0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.136 -8.069 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.241 -10.434 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.496 -10.497 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.914 -7.964 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.426 -9.228 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 15 8.600 -7.380 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.043 -10.630 -4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.314 -10.911 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.393 -7.741 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.827 -9.290 -3.979 1.00 0.00 H new ATOM 222 N ILE A 16 12.447 -6.810 -0.533 1.00 0.00 N ATOM 223 CA ILE A 16 13.215 -5.622 -1.003 1.00 0.00 C ATOM 224 C ILE A 16 14.704 -5.822 -0.711 1.00 0.00 C ATOM 225 O ILE A 16 15.551 -5.572 -1.546 1.00 0.00 O ATOM 226 CB ILE A 16 12.662 -4.446 -0.198 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.234 -4.142 -0.657 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.540 -3.214 -0.422 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.673 -2.975 0.158 1.00 0.00 C ATOM 0 H ILE A 16 11.739 -6.618 0.175 1.00 0.00 H new ATOM 0 HA ILE A 16 13.115 -5.457 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 16 12.659 -4.702 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.227 -3.895 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.605 -5.023 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.145 -2.376 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.558 -3.429 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.544 -2.958 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.656 -2.759 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.666 -3.240 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.297 -2.094 0.009 1.00 0.00 H new ATOM 241 N LEU A 17 15.028 -6.281 0.467 1.00 0.00 N ATOM 242 CA LEU A 17 16.461 -6.506 0.811 1.00 0.00 C ATOM 243 C LEU A 17 17.037 -7.617 -0.069 1.00 0.00 C ATOM 244 O LEU A 17 18.158 -7.541 -0.531 1.00 0.00 O ATOM 245 CB LEU A 17 16.456 -6.936 2.279 1.00 0.00 C ATOM 246 CG LEU A 17 15.730 -5.883 3.118 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.882 -6.219 4.602 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.339 -4.507 2.843 1.00 0.00 C ATOM 0 H LEU A 17 14.363 -6.510 1.206 1.00 0.00 H new ATOM 0 HA LEU A 17 17.071 -5.617 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.963 -7.903 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.478 -7.059 2.636 1.00 0.00 H new ATOM 0 HG LEU A 17 14.672 -5.874 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.365 -5.469 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.451 -7.200 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.939 -6.228 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.823 -3.755 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.396 -4.518 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.232 -4.267 1.785 1.00 0.00 H new ATOM 260 N ALA A 18 16.275 -8.650 -0.305 1.00 0.00 N ATOM 261 CA ALA A 18 16.772 -9.768 -1.156 1.00 0.00 C ATOM 262 C ALA A 18 16.825 -9.330 -2.622 1.00 0.00 C ATOM 263 O ALA A 18 17.283 -10.058 -3.482 1.00 0.00 O ATOM 264 CB ALA A 18 15.752 -10.890 -0.967 1.00 0.00 C ATOM 0 H ALA A 18 15.328 -8.768 0.055 1.00 0.00 H new ATOM 0 HA ALA A 18 17.779 -10.083 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.047 -11.754 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.712 -11.172 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.769 -10.546 -1.288 1.00 0.00 H new ATOM 270 N SER A 19 16.358 -8.146 -2.915 1.00 0.00 N ATOM 271 CA SER A 19 16.379 -7.660 -4.326 1.00 0.00 C ATOM 272 C SER A 19 15.397 -8.468 -5.178 1.00 0.00 C ATOM 273 O SER A 19 15.755 -9.020 -6.200 1.00 0.00 O ATOM 274 CB SER A 19 17.814 -7.882 -4.804 1.00 0.00 C ATOM 275 OG SER A 19 18.188 -6.823 -5.675 1.00 0.00 O ATOM 0 H SER A 19 15.962 -7.494 -2.238 1.00 0.00 H new ATOM 0 HA SER A 19 16.083 -6.614 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.491 -7.923 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.894 -8.838 -5.321 1.00 0.00 H new ATOM 0 HG SER A 19 19.108 -6.962 -5.982 1.00 0.00 H new ATOM 281 N ASP A 20 14.160 -8.539 -4.769 1.00 0.00 N ATOM 282 CA ASP A 20 13.156 -9.310 -5.558 1.00 0.00 C ATOM 283 C ASP A 20 13.540 -10.791 -5.604 1.00 0.00 C ATOM 284 O ASP A 20 13.351 -11.459 -6.601 1.00 0.00 O ATOM 285 CB ASP A 20 13.202 -8.698 -6.959 1.00 0.00 C ATOM 286 CG ASP A 20 11.817 -8.789 -7.602 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.440 -9.879 -7.998 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.158 -7.766 -7.688 1.00 0.00 O ATOM 0 H ASP A 20 13.801 -8.097 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 20 12.158 -9.257 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.520 -7.657 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.935 -9.222 -7.573 1.00 0.00 H new ATOM 293 N LYS A 21 14.077 -11.310 -4.533 1.00 0.00 N ATOM 294 CA LYS A 21 14.470 -12.747 -4.517 1.00 0.00 C ATOM 295 C LYS A 21 13.681 -13.494 -3.441 1.00 0.00 C ATOM 296 O LYS A 21 13.397 -12.955 -2.390 1.00 0.00 O ATOM 297 CB LYS A 21 15.963 -12.746 -4.185 1.00 0.00 C ATOM 298 CG LYS A 21 16.736 -12.058 -5.312 1.00 0.00 C ATOM 299 CD LYS A 21 17.171 -13.099 -6.344 1.00 0.00 C ATOM 300 CE LYS A 21 17.002 -12.523 -7.751 1.00 0.00 C ATOM 301 NZ LYS A 21 18.219 -12.958 -8.491 1.00 0.00 N ATOM 0 H LYS A 21 14.260 -10.800 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 21 14.265 -13.244 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.136 -12.228 -3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.319 -13.768 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.112 -11.300 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 21 17.609 -11.545 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.211 -13.380 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.575 -14.005 -6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.096 -12.899 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.922 -11.436 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.178 -12.601 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.066 -12.580 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.265 -13.997 -8.504 1.00 0.00 H new ATOM 315 N PRO A 22 13.360 -14.721 -3.744 1.00 0.00 N ATOM 316 CA PRO A 22 12.597 -15.530 -2.758 1.00 0.00 C ATOM 317 C PRO A 22 13.478 -15.845 -1.545 1.00 0.00 C ATOM 318 O PRO A 22 13.029 -16.415 -0.571 1.00 0.00 O ATOM 319 CB PRO A 22 12.237 -16.811 -3.509 1.00 0.00 C ATOM 320 CG PRO A 22 12.375 -16.471 -4.957 1.00 0.00 C ATOM 321 CD PRO A 22 13.395 -15.372 -5.059 1.00 0.00 C ATOM 0 HA PRO A 22 11.714 -15.013 -2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.902 -17.629 -3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.222 -17.132 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.691 -17.344 -5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.419 -16.148 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.386 -15.768 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.147 -14.672 -5.856 1.00 0.00 H new ATOM 329 N TYR A 23 14.729 -15.476 -1.601 1.00 0.00 N ATOM 330 CA TYR A 23 15.639 -15.755 -0.452 1.00 0.00 C ATOM 331 C TYR A 23 16.585 -14.571 -0.230 1.00 0.00 C ATOM 332 O TYR A 23 16.723 -13.710 -1.076 1.00 0.00 O ATOM 333 CB TYR A 23 16.423 -17.003 -0.860 1.00 0.00 C ATOM 334 CG TYR A 23 17.043 -16.785 -2.219 1.00 0.00 C ATOM 335 CD1 TYR A 23 16.262 -16.912 -3.374 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.400 -16.455 -2.325 1.00 0.00 C ATOM 337 CE1 TYR A 23 16.836 -16.709 -4.634 1.00 0.00 C ATOM 338 CE2 TYR A 23 18.975 -16.253 -3.584 1.00 0.00 C ATOM 339 CZ TYR A 23 18.194 -16.380 -4.740 1.00 0.00 C ATOM 340 OH TYR A 23 18.760 -16.181 -5.981 1.00 0.00 O ATOM 0 H TYR A 23 15.160 -14.995 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 23 15.095 -15.905 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.199 -17.215 -0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.762 -17.869 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.216 -17.167 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 23 19.003 -16.356 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.233 -16.806 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 23 20.022 -15.999 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 23 19.709 -15.959 -5.876 1.00 0.00 H new ATOM 350 N ILE A 24 17.235 -14.519 0.900 1.00 0.00 N ATOM 351 CA ILE A 24 18.167 -13.386 1.168 1.00 0.00 C ATOM 352 C ILE A 24 19.555 -13.926 1.540 1.00 0.00 C ATOM 353 O ILE A 24 19.684 -14.996 2.101 1.00 0.00 O ATOM 354 CB ILE A 24 17.516 -12.608 2.325 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.678 -11.105 2.078 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.159 -12.974 3.668 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.165 -10.745 2.064 1.00 0.00 C ATOM 0 H ILE A 24 17.162 -15.209 1.647 1.00 0.00 H new ATOM 0 HA ILE A 24 18.320 -12.742 0.302 1.00 0.00 H new ATOM 0 HB ILE A 24 16.459 -12.872 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.218 -10.830 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.164 -10.541 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.679 -12.409 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.034 -14.041 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.222 -12.732 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.279 -9.675 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.611 -11.004 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.666 -11.299 1.270 1.00 0.00 H new ATOM 369 N LEU A 25 20.589 -13.196 1.230 1.00 0.00 N ATOM 370 CA LEU A 25 21.962 -13.669 1.563 1.00 0.00 C ATOM 371 C LEU A 25 22.377 -13.159 2.945 1.00 0.00 C ATOM 372 O LEU A 25 21.892 -12.150 3.416 1.00 0.00 O ATOM 373 CB LEU A 25 22.861 -13.072 0.478 1.00 0.00 C ATOM 374 CG LEU A 25 22.511 -13.685 -0.879 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.402 -15.206 -0.744 1.00 0.00 C ATOM 376 CD2 LEU A 25 21.174 -13.121 -1.366 1.00 0.00 C ATOM 0 H LEU A 25 20.543 -12.292 0.760 1.00 0.00 H new ATOM 0 HA LEU A 25 22.028 -14.757 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.734 -11.990 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.908 -13.263 0.714 1.00 0.00 H new ATOM 0 HG LEU A 25 23.293 -13.440 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.153 -15.640 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.354 -15.610 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.622 -15.452 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.925 -13.558 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.393 -13.364 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.251 -12.038 -1.466 1.00 0.00 H new ATOM 388 N ALA A 26 23.271 -13.848 3.596 1.00 0.00 N ATOM 389 CA ALA A 26 23.719 -13.400 4.946 1.00 0.00 C ATOM 390 C ALA A 26 24.532 -12.109 4.829 1.00 0.00 C ATOM 391 O ALA A 26 24.436 -11.226 5.658 1.00 0.00 O ATOM 392 CB ALA A 26 24.591 -14.539 5.475 1.00 0.00 C ATOM 0 H ALA A 26 23.712 -14.702 3.253 1.00 0.00 H new ATOM 0 HA ALA A 26 22.881 -13.189 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.960 -14.284 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.000 -15.453 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.435 -14.693 4.803 1.00 0.00 H new ATOM 398 N GLU A 27 25.329 -11.991 3.803 1.00 0.00 N ATOM 399 CA GLU A 27 26.143 -10.758 3.631 1.00 0.00 C ATOM 400 C GLU A 27 25.230 -9.558 3.372 1.00 0.00 C ATOM 401 O GLU A 27 25.498 -8.455 3.804 1.00 0.00 O ATOM 402 CB GLU A 27 27.016 -11.040 2.410 1.00 0.00 C ATOM 403 CG GLU A 27 28.134 -12.012 2.793 1.00 0.00 C ATOM 404 CD GLU A 27 27.849 -13.385 2.181 1.00 0.00 C ATOM 405 OE1 GLU A 27 26.844 -13.975 2.542 1.00 0.00 O ATOM 406 OE2 GLU A 27 28.640 -13.822 1.361 1.00 0.00 O ATOM 0 H GLU A 27 25.451 -12.696 3.076 1.00 0.00 H new ATOM 0 HA GLU A 27 26.736 -10.521 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.411 -11.463 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.442 -10.111 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 27 29.094 -11.636 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.204 -12.093 3.878 1.00 0.00 H new ATOM 413 N GLU A 28 24.149 -9.768 2.671 1.00 0.00 N ATOM 414 CA GLU A 28 23.215 -8.641 2.386 1.00 0.00 C ATOM 415 C GLU A 28 22.639 -8.098 3.694 1.00 0.00 C ATOM 416 O GLU A 28 22.559 -6.903 3.902 1.00 0.00 O ATOM 417 CB GLU A 28 22.110 -9.250 1.522 1.00 0.00 C ATOM 418 CG GLU A 28 22.314 -8.838 0.062 1.00 0.00 C ATOM 419 CD GLU A 28 20.963 -8.487 -0.562 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.156 -9.387 -0.728 1.00 0.00 O ATOM 421 OE2 GLU A 28 20.758 -7.323 -0.866 1.00 0.00 O ATOM 0 H GLU A 28 23.872 -10.670 2.284 1.00 0.00 H new ATOM 0 HA GLU A 28 23.708 -7.808 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.123 -10.336 1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.134 -8.914 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.986 -7.982 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.784 -9.650 -0.494 1.00 0.00 H new ATOM 428 N LEU A 29 22.242 -8.967 4.584 1.00 0.00 N ATOM 429 CA LEU A 29 21.677 -8.501 5.881 1.00 0.00 C ATOM 430 C LEU A 29 22.737 -7.717 6.659 1.00 0.00 C ATOM 431 O LEU A 29 22.437 -6.772 7.359 1.00 0.00 O ATOM 432 CB LEU A 29 21.296 -9.779 6.631 1.00 0.00 C ATOM 433 CG LEU A 29 19.844 -10.143 6.319 1.00 0.00 C ATOM 434 CD1 LEU A 29 18.905 -9.152 7.008 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.620 -10.088 4.806 1.00 0.00 C ATOM 0 H LEU A 29 22.285 -9.979 4.468 1.00 0.00 H new ATOM 0 HA LEU A 29 20.821 -7.839 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 29 21.957 -10.595 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.423 -9.635 7.704 1.00 0.00 H new ATOM 0 HG LEU A 29 19.638 -11.149 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.871 -9.414 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.063 -9.190 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.110 -8.144 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.585 -10.347 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.829 -9.081 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.286 -10.796 4.314 1.00 0.00 H new ATOM 447 N ARG A 30 23.978 -8.105 6.538 1.00 0.00 N ATOM 448 CA ARG A 30 25.058 -7.381 7.268 1.00 0.00 C ATOM 449 C ARG A 30 25.242 -5.978 6.683 1.00 0.00 C ATOM 450 O ARG A 30 25.462 -5.020 7.398 1.00 0.00 O ATOM 451 CB ARG A 30 26.317 -8.222 7.050 1.00 0.00 C ATOM 452 CG ARG A 30 26.824 -8.743 8.397 1.00 0.00 C ATOM 453 CD ARG A 30 27.878 -7.783 8.953 1.00 0.00 C ATOM 454 NE ARG A 30 28.900 -8.662 9.587 1.00 0.00 N ATOM 455 CZ ARG A 30 28.617 -9.312 10.685 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.437 -9.193 11.233 1.00 0.00 N ATOM 457 NH2 ARG A 30 29.516 -10.082 11.235 1.00 0.00 N ATOM 0 H ARG A 30 24.290 -8.890 5.967 1.00 0.00 H new ATOM 0 HA ARG A 30 24.829 -7.257 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.098 -9.057 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.088 -7.622 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.995 -8.835 9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.251 -9.738 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 30 28.316 -7.175 8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.443 -7.096 9.679 1.00 0.00 H new ATOM 0 HE ARG A 30 29.823 -8.757 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 30 26.734 -8.592 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.219 -9.702 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 30 30.438 -10.176 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 30 29.297 -10.590 12.092 1.00 0.00 H new ATOM 471 N ARG A 31 25.153 -5.850 5.388 1.00 0.00 N ATOM 472 CA ARG A 31 25.325 -4.510 4.756 1.00 0.00 C ATOM 473 C ARG A 31 23.970 -3.813 4.612 1.00 0.00 C ATOM 474 O ARG A 31 23.897 -2.620 4.391 1.00 0.00 O ATOM 475 CB ARG A 31 25.928 -4.796 3.382 1.00 0.00 C ATOM 476 CG ARG A 31 27.154 -3.908 3.169 1.00 0.00 C ATOM 477 CD ARG A 31 28.423 -4.756 3.273 1.00 0.00 C ATOM 478 NE ARG A 31 29.376 -3.924 4.058 1.00 0.00 N ATOM 479 CZ ARG A 31 30.610 -4.319 4.227 1.00 0.00 C ATOM 480 NH1 ARG A 31 31.013 -5.450 3.713 1.00 0.00 N ATOM 481 NH2 ARG A 31 31.441 -3.581 4.912 1.00 0.00 N ATOM 0 H ARG A 31 24.969 -6.615 4.739 1.00 0.00 H new ATOM 0 HA ARG A 31 25.958 -3.852 5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.209 -5.846 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.190 -4.608 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.103 -3.429 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.174 -3.112 3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.224 -5.705 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.823 -4.991 2.287 1.00 0.00 H new ATOM 0 HE ARG A 31 29.064 -3.042 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.364 -6.027 3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 31 31.977 -5.756 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 31 31.127 -2.698 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 31 32.405 -3.888 5.045 1.00 0.00 H new ATOM 495 N GLU A 32 22.896 -4.543 4.732 1.00 0.00 N ATOM 496 CA GLU A 32 21.551 -3.915 4.597 1.00 0.00 C ATOM 497 C GLU A 32 20.939 -3.664 5.977 1.00 0.00 C ATOM 498 O GLU A 32 20.083 -2.818 6.143 1.00 0.00 O ATOM 499 CB GLU A 32 20.717 -4.932 3.818 1.00 0.00 C ATOM 500 CG GLU A 32 21.271 -5.068 2.398 1.00 0.00 C ATOM 501 CD GLU A 32 20.304 -4.416 1.408 1.00 0.00 C ATOM 502 OE1 GLU A 32 20.043 -3.234 1.556 1.00 0.00 O ATOM 503 OE2 GLU A 32 19.841 -5.110 0.517 1.00 0.00 O ATOM 0 H GLU A 32 22.891 -5.546 4.917 1.00 0.00 H new ATOM 0 HA GLU A 32 21.596 -2.950 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.739 -5.898 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.675 -4.614 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.250 -4.594 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 32 21.408 -6.120 2.149 1.00 0.00 H new ATOM 510 N LEU A 33 21.365 -4.396 6.970 1.00 0.00 N ATOM 511 CA LEU A 33 20.803 -4.203 8.333 1.00 0.00 C ATOM 512 C LEU A 33 21.928 -4.175 9.373 1.00 0.00 C ATOM 513 O LEU A 33 22.962 -4.784 9.184 1.00 0.00 O ATOM 514 CB LEU A 33 19.906 -5.417 8.550 1.00 0.00 C ATOM 515 CG LEU A 33 18.442 -5.013 8.365 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.688 -6.141 7.659 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.807 -4.754 9.733 1.00 0.00 C ATOM 0 H LEU A 33 22.079 -5.120 6.894 1.00 0.00 H new ATOM 0 HA LEU A 33 20.260 -3.263 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.168 -6.206 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.059 -5.820 9.551 1.00 0.00 H new ATOM 0 HG LEU A 33 18.389 -4.106 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.645 -5.854 7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.140 -6.326 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.741 -7.047 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.764 -4.466 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.860 -5.660 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.344 -3.951 10.237 1.00 0.00 H new ATOM 529 N PRO A 34 21.682 -3.469 10.442 1.00 0.00 N ATOM 530 CA PRO A 34 22.716 -3.391 11.507 1.00 0.00 C ATOM 531 C PRO A 34 23.196 -4.795 11.882 1.00 0.00 C ATOM 532 O PRO A 34 22.412 -5.720 11.955 1.00 0.00 O ATOM 533 CB PRO A 34 22.007 -2.726 12.692 1.00 0.00 C ATOM 534 CG PRO A 34 20.554 -2.702 12.338 1.00 0.00 C ATOM 535 CD PRO A 34 20.466 -2.756 10.839 1.00 0.00 C ATOM 0 HA PRO A 34 23.597 -2.832 11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 34 22.176 -3.285 13.612 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.386 -1.717 12.858 1.00 0.00 H new ATOM 0 HG2 PRO A 34 20.034 -3.549 12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.079 -1.798 12.720 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.569 -3.281 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 34 20.428 -1.757 10.404 1.00 0.00 H new ATOM 543 N PRO A 35 24.477 -4.904 12.106 1.00 0.00 N ATOM 544 CA PRO A 35 25.035 -6.232 12.477 1.00 0.00 C ATOM 545 C PRO A 35 24.136 -6.917 13.508 1.00 0.00 C ATOM 546 O PRO A 35 23.979 -8.123 13.507 1.00 0.00 O ATOM 547 CB PRO A 35 26.404 -5.916 13.080 1.00 0.00 C ATOM 548 CG PRO A 35 26.355 -4.469 13.441 1.00 0.00 C ATOM 549 CD PRO A 35 25.379 -3.815 12.504 1.00 0.00 C ATOM 0 HA PRO A 35 25.105 -6.909 11.626 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.599 -6.533 13.957 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.203 -6.116 12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.041 -4.340 14.477 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.342 -4.015 13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.836 -3.007 12.995 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.885 -3.381 11.641 1.00 0.00 H new ATOM 557 N ASP A 36 23.543 -6.159 14.390 1.00 0.00 N ATOM 558 CA ASP A 36 22.656 -6.769 15.420 1.00 0.00 C ATOM 559 C ASP A 36 21.460 -7.454 14.751 1.00 0.00 C ATOM 560 O ASP A 36 21.103 -8.566 15.087 1.00 0.00 O ATOM 561 CB ASP A 36 22.189 -5.596 16.284 1.00 0.00 C ATOM 562 CG ASP A 36 21.586 -6.128 17.585 1.00 0.00 C ATOM 563 OD1 ASP A 36 22.246 -6.915 18.243 1.00 0.00 O ATOM 564 OD2 ASP A 36 20.475 -5.738 17.902 1.00 0.00 O ATOM 0 H ASP A 36 23.635 -5.144 14.441 1.00 0.00 H new ATOM 0 HA ASP A 36 23.168 -7.530 16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.028 -4.935 16.503 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.450 -5.004 15.744 1.00 0.00 H new ATOM 569 N GLN A 37 20.838 -6.801 13.808 1.00 0.00 N ATOM 570 CA GLN A 37 19.668 -7.418 13.120 1.00 0.00 C ATOM 571 C GLN A 37 20.123 -8.591 12.247 1.00 0.00 C ATOM 572 O GLN A 37 19.494 -9.629 12.208 1.00 0.00 O ATOM 573 CB GLN A 37 19.085 -6.301 12.256 1.00 0.00 C ATOM 574 CG GLN A 37 17.852 -5.711 12.943 1.00 0.00 C ATOM 575 CD GLN A 37 18.260 -5.087 14.279 1.00 0.00 C ATOM 576 OE1 GLN A 37 19.432 -4.959 14.570 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.335 -4.694 15.111 1.00 0.00 N ATOM 0 H GLN A 37 21.089 -5.867 13.484 1.00 0.00 H new ATOM 0 HA GLN A 37 18.936 -7.814 13.824 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.832 -5.523 12.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.815 -6.690 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.392 -4.958 12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.106 -6.489 13.106 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.350 -4.801 14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.596 -4.279 16.006 1.00 0.00 H new ATOM 586 N ALA A 38 21.211 -8.432 11.544 1.00 0.00 N ATOM 587 CA ALA A 38 21.704 -9.536 10.671 1.00 0.00 C ATOM 588 C ALA A 38 21.940 -10.801 11.500 1.00 0.00 C ATOM 589 O ALA A 38 21.507 -11.878 11.142 1.00 0.00 O ATOM 590 CB ALA A 38 23.021 -9.025 10.088 1.00 0.00 C ATOM 0 H ALA A 38 21.780 -7.586 11.536 1.00 0.00 H new ATOM 0 HA ALA A 38 20.987 -9.796 9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.447 -9.784 9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.837 -8.114 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.719 -8.812 10.898 1.00 0.00 H new ATOM 596 N GLN A 39 22.622 -10.678 12.605 1.00 0.00 N ATOM 597 CA GLN A 39 22.882 -11.875 13.455 1.00 0.00 C ATOM 598 C GLN A 39 21.555 -12.524 13.860 1.00 0.00 C ATOM 599 O GLN A 39 21.409 -13.730 13.829 1.00 0.00 O ATOM 600 CB GLN A 39 23.617 -11.335 14.682 1.00 0.00 C ATOM 601 CG GLN A 39 24.500 -12.434 15.275 1.00 0.00 C ATOM 602 CD GLN A 39 24.337 -12.455 16.795 1.00 0.00 C ATOM 603 OE1 GLN A 39 23.381 -11.921 17.323 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.236 -13.052 17.528 1.00 0.00 N ATOM 0 H GLN A 39 23.010 -9.802 12.956 1.00 0.00 H new ATOM 0 HA GLN A 39 23.465 -12.637 12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.226 -10.475 14.404 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.899 -10.990 15.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.225 -13.402 14.856 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.543 -12.258 15.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 26.039 -13.500 17.086 1.00 0.00 H new ATOM 0 HE22 GLN A 39 25.136 -13.070 18.543 1.00 0.00 H new ATOM 613 N TYR A 40 20.587 -11.734 14.234 1.00 0.00 N ATOM 614 CA TYR A 40 19.270 -12.308 14.633 1.00 0.00 C ATOM 615 C TYR A 40 18.593 -12.964 13.425 1.00 0.00 C ATOM 616 O TYR A 40 18.057 -14.050 13.516 1.00 0.00 O ATOM 617 CB TYR A 40 18.449 -11.114 15.125 1.00 0.00 C ATOM 618 CG TYR A 40 18.432 -11.097 16.634 1.00 0.00 C ATOM 619 CD1 TYR A 40 19.635 -11.006 17.346 1.00 0.00 C ATOM 620 CD2 TYR A 40 17.216 -11.171 17.322 1.00 0.00 C ATOM 621 CE1 TYR A 40 19.621 -10.989 18.745 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.201 -11.154 18.722 1.00 0.00 C ATOM 623 CZ TYR A 40 18.403 -11.062 19.434 1.00 0.00 C ATOM 624 OH TYR A 40 18.389 -11.044 20.814 1.00 0.00 O ATOM 0 H TYR A 40 20.650 -10.717 14.281 1.00 0.00 H new ATOM 0 HA TYR A 40 19.369 -13.077 15.399 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.876 -10.186 14.746 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.431 -11.177 14.741 1.00 0.00 H new ATOM 0 HD1 TYR A 40 20.574 -10.949 16.815 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.289 -11.241 16.773 1.00 0.00 H new ATOM 0 HE1 TYR A 40 20.549 -10.920 19.294 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.262 -11.212 19.253 1.00 0.00 H new ATOM 0 HH TYR A 40 19.260 -10.742 21.146 1.00 0.00 H new ATOM 634 N CYS A 41 18.614 -12.310 12.294 1.00 0.00 N ATOM 635 CA CYS A 41 17.971 -12.893 11.081 1.00 0.00 C ATOM 636 C CYS A 41 18.609 -14.239 10.731 1.00 0.00 C ATOM 637 O CYS A 41 17.930 -15.227 10.533 1.00 0.00 O ATOM 638 CB CYS A 41 18.237 -11.882 9.966 1.00 0.00 C ATOM 639 SG CYS A 41 16.952 -10.609 9.986 1.00 0.00 S ATOM 0 H CYS A 41 19.049 -11.397 12.158 1.00 0.00 H new ATOM 0 HA CYS A 41 16.907 -13.073 11.232 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.218 -11.426 10.101 1.00 0.00 H new ATOM 0 HB3 CYS A 41 18.250 -12.386 8.999 1.00 0.00 H new ATOM 0 HG CYS A 41 17.179 -9.748 9.039 1.00 0.00 H new ATOM 645 N ILE A 42 19.909 -14.284 10.649 1.00 0.00 N ATOM 646 CA ILE A 42 20.591 -15.563 10.306 1.00 0.00 C ATOM 647 C ILE A 42 20.264 -16.636 11.347 1.00 0.00 C ATOM 648 O ILE A 42 20.303 -17.818 11.068 1.00 0.00 O ATOM 649 CB ILE A 42 22.082 -15.230 10.316 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.363 -14.149 9.269 1.00 0.00 C ATOM 651 CG2 ILE A 42 22.890 -16.485 9.981 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.763 -13.569 9.488 1.00 0.00 C ATOM 0 H ILE A 42 20.530 -13.490 10.805 1.00 0.00 H new ATOM 0 HA ILE A 42 20.271 -15.958 9.342 1.00 0.00 H new ATOM 0 HB ILE A 42 22.369 -14.869 11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.287 -14.571 8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.616 -13.358 9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 23.953 -16.246 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 42 22.687 -17.257 10.723 1.00 0.00 H new ATOM 0 HG23 ILE A 42 22.607 -16.847 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.959 -12.800 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.824 -13.131 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.504 -14.363 9.395 1.00 0.00 H new ATOM 664 N LYS A 43 19.933 -16.233 12.543 1.00 0.00 N ATOM 665 CA LYS A 43 19.593 -17.233 13.595 1.00 0.00 C ATOM 666 C LYS A 43 18.246 -17.882 13.274 1.00 0.00 C ATOM 667 O LYS A 43 18.063 -19.072 13.432 1.00 0.00 O ATOM 668 CB LYS A 43 19.509 -16.431 14.894 1.00 0.00 C ATOM 669 CG LYS A 43 20.200 -17.206 16.018 1.00 0.00 C ATOM 670 CD LYS A 43 20.986 -16.237 16.903 1.00 0.00 C ATOM 671 CE LYS A 43 20.148 -15.874 18.130 1.00 0.00 C ATOM 672 NZ LYS A 43 19.227 -14.803 17.661 1.00 0.00 N ATOM 0 H LYS A 43 19.883 -15.258 12.837 1.00 0.00 H new ATOM 0 HA LYS A 43 20.329 -18.034 13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 43 19.983 -15.458 14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.466 -16.246 15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.459 -17.739 16.614 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.870 -17.956 15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.927 -16.692 17.213 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.237 -15.337 16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.595 -16.737 18.500 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.777 -15.524 18.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.562 -14.559 18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.778 -13.961 17.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.697 -15.140 16.832 1.00 0.00 H new ATOM 686 N ARG A 44 17.304 -17.105 12.814 1.00 0.00 N ATOM 687 CA ARG A 44 15.966 -17.668 12.471 1.00 0.00 C ATOM 688 C ARG A 44 15.992 -18.240 11.050 1.00 0.00 C ATOM 689 O ARG A 44 15.927 -19.438 10.860 1.00 0.00 O ATOM 690 CB ARG A 44 15.009 -16.481 12.561 1.00 0.00 C ATOM 691 CG ARG A 44 14.413 -16.413 13.969 1.00 0.00 C ATOM 692 CD ARG A 44 15.529 -16.155 14.983 1.00 0.00 C ATOM 693 NE ARG A 44 14.827 -15.935 16.278 1.00 0.00 N ATOM 694 CZ ARG A 44 15.482 -16.027 17.404 1.00 0.00 C ATOM 695 NH1 ARG A 44 16.755 -16.323 17.403 1.00 0.00 N ATOM 696 NH2 ARG A 44 14.862 -15.825 18.534 1.00 0.00 N ATOM 0 H ARG A 44 17.403 -16.102 12.660 1.00 0.00 H new ATOM 0 HA ARG A 44 15.667 -18.480 13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.538 -15.556 12.333 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.214 -16.584 11.822 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.668 -15.619 14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.902 -17.346 14.205 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.212 -17.002 15.043 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.124 -15.285 14.703 1.00 0.00 H new ATOM 0 HE ARG A 44 13.832 -15.712 16.285 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.241 -16.483 16.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.263 -16.394 18.285 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.868 -15.596 18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.371 -15.896 19.415 1.00 0.00 H new ATOM 710 N MET A 45 16.096 -17.387 10.057 1.00 0.00 N ATOM 711 CA MET A 45 16.142 -17.852 8.642 1.00 0.00 C ATOM 712 C MET A 45 16.825 -19.219 8.530 1.00 0.00 C ATOM 713 O MET A 45 17.992 -19.357 8.836 1.00 0.00 O ATOM 714 CB MET A 45 16.979 -16.790 7.935 1.00 0.00 C ATOM 715 CG MET A 45 16.068 -15.684 7.411 1.00 0.00 C ATOM 716 SD MET A 45 17.075 -14.364 6.692 1.00 0.00 S ATOM 717 CE MET A 45 15.890 -13.017 6.931 1.00 0.00 C ATOM 0 H MET A 45 16.151 -16.375 10.174 1.00 0.00 H new ATOM 0 HA MET A 45 15.146 -17.972 8.215 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.714 -16.374 8.624 1.00 0.00 H new ATOM 0 HB3 MET A 45 17.534 -17.239 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 45 15.386 -16.085 6.661 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.455 -15.288 8.221 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.739 -12.493 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 45 14.940 -13.425 7.275 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.276 -12.320 7.675 1.00 0.00 H new ATOM 727 N PRO A 46 16.067 -20.185 8.089 1.00 0.00 N ATOM 728 CA PRO A 46 16.645 -21.546 7.941 1.00 0.00 C ATOM 729 C PRO A 46 17.285 -21.697 6.558 1.00 0.00 C ATOM 730 O PRO A 46 17.773 -20.745 5.983 1.00 0.00 O ATOM 731 CB PRO A 46 15.450 -22.487 8.091 1.00 0.00 C ATOM 732 CG PRO A 46 14.395 -21.685 8.781 1.00 0.00 C ATOM 733 CD PRO A 46 14.646 -20.239 8.454 1.00 0.00 C ATOM 0 HA PRO A 46 17.426 -21.755 8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.103 -22.839 7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.716 -23.369 8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.403 -21.988 8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.432 -21.847 9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.013 -19.902 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.431 -19.596 9.308 1.00 0.00 H new ATOM 859 N ALA A 57 22.053 -19.183 0.756 1.00 0.00 N ATOM 860 CA ALA A 57 20.715 -18.553 0.571 1.00 0.00 C ATOM 861 C ALA A 57 19.791 -18.937 1.728 1.00 0.00 C ATOM 862 O ALA A 57 19.450 -20.089 1.907 1.00 0.00 O ATOM 863 CB ALA A 57 20.191 -19.118 -0.750 1.00 0.00 C ATOM 0 HA ALA A 57 20.766 -17.464 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.206 -18.701 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.875 -18.853 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.118 -20.203 -0.678 1.00 0.00 H new ATOM 869 N LEU A 58 19.390 -17.981 2.520 1.00 0.00 N ATOM 870 CA LEU A 58 18.495 -18.289 3.672 1.00 0.00 C ATOM 871 C LEU A 58 17.067 -17.821 3.373 1.00 0.00 C ATOM 872 O LEU A 58 16.844 -16.998 2.509 1.00 0.00 O ATOM 873 CB LEU A 58 19.081 -17.508 4.850 1.00 0.00 C ATOM 874 CG LEU A 58 20.579 -17.812 5.000 1.00 0.00 C ATOM 875 CD1 LEU A 58 20.837 -19.304 4.774 1.00 0.00 C ATOM 876 CD2 LEU A 58 21.373 -16.996 3.978 1.00 0.00 C ATOM 0 H LEU A 58 19.644 -16.998 2.419 1.00 0.00 H new ATOM 0 HA LEU A 58 18.441 -19.358 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.934 -16.439 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.556 -17.773 5.768 1.00 0.00 H new ATOM 0 HG LEU A 58 20.897 -17.544 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.902 -19.510 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 58 20.279 -19.885 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.514 -19.581 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.436 -17.213 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.049 -17.260 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.201 -15.933 4.148 1.00 0.00 H new ATOM 888 N ASP A 59 16.096 -18.339 4.079 1.00 0.00 N ATOM 889 CA ASP A 59 14.686 -17.913 3.821 1.00 0.00 C ATOM 890 C ASP A 59 14.165 -17.023 4.950 1.00 0.00 C ATOM 891 O ASP A 59 13.927 -17.476 6.052 1.00 0.00 O ATOM 892 CB ASP A 59 13.861 -19.203 3.757 1.00 0.00 C ATOM 893 CG ASP A 59 14.315 -20.174 4.851 1.00 0.00 C ATOM 894 OD1 ASP A 59 15.474 -20.552 4.839 1.00 0.00 O ATOM 895 OD2 ASP A 59 13.492 -20.525 5.680 1.00 0.00 O ATOM 0 H ASP A 59 16.215 -19.033 4.817 1.00 0.00 H new ATOM 0 HA ASP A 59 14.618 -17.335 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.803 -18.973 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.974 -19.668 2.778 1.00 0.00 H new ATOM 900 N TYR A 60 13.965 -15.764 4.677 1.00 0.00 N ATOM 901 CA TYR A 60 13.435 -14.844 5.721 1.00 0.00 C ATOM 902 C TYR A 60 11.958 -15.147 5.955 1.00 0.00 C ATOM 903 O TYR A 60 11.412 -14.861 7.002 1.00 0.00 O ATOM 904 CB TYR A 60 13.606 -13.446 5.128 1.00 0.00 C ATOM 905 CG TYR A 60 12.889 -13.375 3.801 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.490 -13.317 3.760 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.624 -13.374 2.609 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.828 -13.255 2.527 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.963 -13.312 1.378 1.00 0.00 C ATOM 910 CZ TYR A 60 11.565 -13.253 1.336 1.00 0.00 C ATOM 911 OH TYR A 60 10.912 -13.194 0.122 1.00 0.00 O ATOM 0 H TYR A 60 14.147 -15.331 3.772 1.00 0.00 H new ATOM 0 HA TYR A 60 13.947 -14.945 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.205 -12.697 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.664 -13.222 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.922 -13.320 4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.703 -13.421 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.749 -13.209 2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.531 -13.310 0.460 1.00 0.00 H new ATOM 0 HH TYR A 60 11.570 -13.200 -0.604 1.00 0.00 H new ATOM 921 N ALA A 61 11.305 -15.736 4.988 1.00 0.00 N ATOM 922 CA ALA A 61 9.867 -16.066 5.167 1.00 0.00 C ATOM 923 C ALA A 61 9.712 -16.909 6.426 1.00 0.00 C ATOM 924 O ALA A 61 8.816 -16.702 7.221 1.00 0.00 O ATOM 925 CB ALA A 61 9.477 -16.867 3.925 1.00 0.00 C ATOM 0 H ALA A 61 11.705 -16.000 4.088 1.00 0.00 H new ATOM 0 HA ALA A 61 9.237 -15.183 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.425 -17.146 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.639 -16.260 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.088 -17.767 3.866 1.00 0.00 H new ATOM 931 N ALA A 62 10.599 -17.843 6.631 1.00 0.00 N ATOM 932 CA ALA A 62 10.516 -18.674 7.861 1.00 0.00 C ATOM 933 C ALA A 62 10.599 -17.758 9.080 1.00 0.00 C ATOM 934 O ALA A 62 10.019 -18.014 10.116 1.00 0.00 O ATOM 935 CB ALA A 62 11.720 -19.611 7.797 1.00 0.00 C ATOM 0 H ALA A 62 11.372 -18.065 6.004 1.00 0.00 H new ATOM 0 HA ALA A 62 9.586 -19.238 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.725 -20.257 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.658 -20.223 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.638 -19.023 7.773 1.00 0.00 H new ATOM 941 N PHE A 63 11.326 -16.686 8.947 1.00 0.00 N ATOM 942 CA PHE A 63 11.474 -15.720 10.073 1.00 0.00 C ATOM 943 C PHE A 63 10.110 -15.161 10.490 1.00 0.00 C ATOM 944 O PHE A 63 9.769 -15.135 11.656 1.00 0.00 O ATOM 945 CB PHE A 63 12.351 -14.602 9.507 1.00 0.00 C ATOM 946 CG PHE A 63 12.928 -13.784 10.637 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.220 -12.686 11.139 1.00 0.00 C ATOM 948 CD2 PHE A 63 14.170 -14.124 11.181 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.756 -11.928 12.187 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.707 -13.366 12.229 1.00 0.00 C ATOM 951 CZ PHE A 63 14.000 -12.269 12.732 1.00 0.00 C ATOM 0 H PHE A 63 11.830 -16.434 8.097 1.00 0.00 H new ATOM 0 HA PHE A 63 11.906 -16.185 10.959 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.155 -15.027 8.906 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.763 -13.964 8.847 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.261 -12.424 10.718 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.716 -14.971 10.793 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.210 -11.081 12.575 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.667 -13.628 12.649 1.00 0.00 H new ATOM 0 HZ PHE A 63 14.414 -11.685 13.541 1.00 0.00 H new ATOM 961 N SER A 64 9.330 -14.702 9.548 1.00 0.00 N ATOM 962 CA SER A 64 7.994 -14.133 9.894 1.00 0.00 C ATOM 963 C SER A 64 7.034 -15.237 10.347 1.00 0.00 C ATOM 964 O SER A 64 6.229 -15.044 11.237 1.00 0.00 O ATOM 965 CB SER A 64 7.494 -13.486 8.604 1.00 0.00 C ATOM 966 OG SER A 64 7.049 -12.165 8.884 1.00 0.00 O ATOM 0 H SER A 64 9.560 -14.696 8.554 1.00 0.00 H new ATOM 0 HA SER A 64 8.056 -13.419 10.715 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.292 -13.464 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.680 -14.074 8.180 1.00 0.00 H new ATOM 0 HG SER A 64 6.467 -11.855 8.159 1.00 0.00 H new ATOM 972 N SER A 65 7.106 -16.389 9.741 1.00 0.00 N ATOM 973 CA SER A 65 6.190 -17.496 10.138 1.00 0.00 C ATOM 974 C SER A 65 6.471 -17.933 11.579 1.00 0.00 C ATOM 975 O SER A 65 5.567 -18.185 12.350 1.00 0.00 O ATOM 976 CB SER A 65 6.498 -18.632 9.164 1.00 0.00 C ATOM 977 OG SER A 65 7.728 -19.244 9.531 1.00 0.00 O ATOM 0 H SER A 65 7.758 -16.612 8.989 1.00 0.00 H new ATOM 0 HA SER A 65 5.143 -17.196 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.694 -19.368 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.559 -18.247 8.146 1.00 0.00 H new ATOM 0 HG SER A 65 8.427 -18.560 9.595 1.00 0.00 H new ATOM 983 N ALA A 66 7.720 -18.029 11.948 1.00 0.00 N ATOM 984 CA ALA A 66 8.056 -18.455 13.337 1.00 0.00 C ATOM 985 C ALA A 66 7.809 -17.310 14.324 1.00 0.00 C ATOM 986 O ALA A 66 7.312 -17.515 15.413 1.00 0.00 O ATOM 987 CB ALA A 66 9.543 -18.808 13.293 1.00 0.00 C ATOM 0 H ALA A 66 8.521 -17.831 11.349 1.00 0.00 H new ATOM 0 HA ALA A 66 7.443 -19.294 13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.869 -19.132 14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.705 -19.612 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.116 -17.931 12.991 1.00 0.00 H new ATOM 993 N LEU A 67 8.156 -16.108 13.955 1.00 0.00 N ATOM 994 CA LEU A 67 7.945 -14.955 14.878 1.00 0.00 C ATOM 995 C LEU A 67 6.450 -14.745 15.138 1.00 0.00 C ATOM 996 O LEU A 67 6.031 -14.526 16.258 1.00 0.00 O ATOM 997 CB LEU A 67 8.536 -13.749 14.147 1.00 0.00 C ATOM 998 CG LEU A 67 9.900 -13.408 14.749 1.00 0.00 C ATOM 999 CD1 LEU A 67 11.005 -14.005 13.877 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.065 -11.888 14.808 1.00 0.00 C ATOM 0 H LEU A 67 8.576 -15.873 13.056 1.00 0.00 H new ATOM 0 HA LEU A 67 8.414 -15.115 15.849 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.640 -13.969 13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.865 -12.894 14.231 1.00 0.00 H new ATOM 0 HG LEU A 67 9.967 -13.821 15.755 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.978 -13.762 14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.888 -15.088 13.832 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.938 -13.591 12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.037 -11.644 15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.999 -11.475 13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.277 -11.460 15.428 1.00 0.00 H new ATOM 1012 N TYR A 68 5.643 -14.809 14.114 1.00 0.00 N ATOM 1013 CA TYR A 68 4.180 -14.611 14.308 1.00 0.00 C ATOM 1014 C TYR A 68 3.465 -15.964 14.373 1.00 0.00 C ATOM 1015 O TYR A 68 2.258 -16.046 14.253 1.00 0.00 O ATOM 1016 CB TYR A 68 3.727 -13.820 13.082 1.00 0.00 C ATOM 1017 CG TYR A 68 4.057 -12.360 13.278 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.524 -11.662 14.369 1.00 0.00 C ATOM 1019 CD2 TYR A 68 4.898 -11.703 12.372 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.832 -10.308 14.552 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.206 -10.350 12.555 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.673 -9.652 13.646 1.00 0.00 C ATOM 1023 OH TYR A 68 4.976 -8.319 13.827 1.00 0.00 O ATOM 0 H TYR A 68 5.934 -14.990 13.153 1.00 0.00 H new ATOM 0 HA TYR A 68 3.951 -14.090 15.238 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.221 -14.199 12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.655 -13.945 12.931 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.876 -12.168 15.069 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.310 -12.241 11.531 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.420 -9.770 15.393 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.855 -9.844 11.855 1.00 0.00 H new ATOM 0 HH TYR A 68 5.573 -8.019 13.110 1.00 0.00 H new ATOM 1105 N LYS B 8 12.599 3.440 -1.252 1.00 0.00 N ATOM 1106 CA LYS B 8 11.706 2.716 -0.301 1.00 0.00 C ATOM 1107 C LYS B 8 12.469 1.579 0.382 1.00 0.00 C ATOM 1108 O LYS B 8 11.962 0.925 1.272 1.00 0.00 O ATOM 1109 CB LYS B 8 10.578 2.156 -1.169 1.00 0.00 C ATOM 1110 CG LYS B 8 11.167 1.244 -2.248 1.00 0.00 C ATOM 1111 CD LYS B 8 10.469 -0.116 -2.206 1.00 0.00 C ATOM 1112 CE LYS B 8 9.397 -0.174 -3.297 1.00 0.00 C ATOM 1113 NZ LYS B 8 8.335 0.767 -2.843 1.00 0.00 N ATOM 0 HA LYS B 8 11.331 3.366 0.489 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.873 1.599 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.022 2.971 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.042 1.698 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS B 8 12.238 1.120 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.196 -0.915 -2.353 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.016 -0.274 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS B 8 9.802 0.124 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS B 8 9.006 -1.185 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 7.461 0.588 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 8.155 0.624 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 8.646 1.746 -3.005 1.00 0.00 H new ATOM 1127 N LYS B 9 13.685 1.339 -0.026 1.00 0.00 N ATOM 1128 CA LYS B 9 14.478 0.243 0.602 1.00 0.00 C ATOM 1129 C LYS B 9 14.697 0.533 2.090 1.00 0.00 C ATOM 1130 O LYS B 9 14.637 -0.352 2.920 1.00 0.00 O ATOM 1131 CB LYS B 9 15.811 0.240 -0.146 1.00 0.00 C ATOM 1132 CG LYS B 9 16.449 -1.147 -0.048 1.00 0.00 C ATOM 1133 CD LYS B 9 17.970 -1.020 -0.154 1.00 0.00 C ATOM 1134 CE LYS B 9 18.561 -0.807 1.242 1.00 0.00 C ATOM 1135 NZ LYS B 9 20.015 -0.579 1.013 1.00 0.00 N ATOM 0 H LYS B 9 14.164 1.853 -0.766 1.00 0.00 H new ATOM 0 HA LYS B 9 13.973 -0.721 0.538 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.654 0.507 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.479 0.990 0.277 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.178 -1.617 0.897 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.071 -1.789 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.390 -1.919 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.232 -0.184 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.101 0.047 1.740 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.393 -1.676 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.372 0.110 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.528 -1.477 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.161 -0.210 0.052 1.00 0.00 H new ATOM 1149 N ALA B 10 14.946 1.767 2.434 1.00 0.00 N ATOM 1150 CA ALA B 10 15.164 2.110 3.868 1.00 0.00 C ATOM 1151 C ALA B 10 13.927 1.743 4.692 1.00 0.00 C ATOM 1152 O ALA B 10 14.029 1.247 5.796 1.00 0.00 O ATOM 1153 CB ALA B 10 15.391 3.622 3.885 1.00 0.00 C ATOM 0 H ALA B 10 15.008 2.552 1.785 1.00 0.00 H new ATOM 0 HA ALA B 10 16.006 1.568 4.299 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.560 3.953 4.910 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.262 3.866 3.277 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.513 4.126 3.481 1.00 0.00 H new ATOM 1159 N GLU B 11 12.760 1.983 4.162 1.00 0.00 N ATOM 1160 CA GLU B 11 11.516 1.647 4.912 1.00 0.00 C ATOM 1161 C GLU B 11 11.452 0.143 5.186 1.00 0.00 C ATOM 1162 O GLU B 11 11.048 -0.288 6.248 1.00 0.00 O ATOM 1163 CB GLU B 11 10.369 2.077 3.998 1.00 0.00 C ATOM 1164 CG GLU B 11 9.377 2.926 4.793 1.00 0.00 C ATOM 1165 CD GLU B 11 8.260 2.033 5.335 1.00 0.00 C ATOM 1166 OE1 GLU B 11 7.729 1.249 4.566 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.954 2.147 6.510 1.00 0.00 O ATOM 0 H GLU B 11 12.613 2.397 3.242 1.00 0.00 H new ATOM 0 HA GLU B 11 11.472 2.147 5.880 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.757 2.646 3.153 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.868 1.200 3.588 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.888 3.427 5.615 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.958 3.705 4.157 1.00 0.00 H new ATOM 1174 N ALA B 12 11.845 -0.661 4.236 1.00 0.00 N ATOM 1175 CA ALA B 12 11.803 -2.136 4.446 1.00 0.00 C ATOM 1176 C ALA B 12 12.725 -2.526 5.604 1.00 0.00 C ATOM 1177 O ALA B 12 12.382 -3.344 6.434 1.00 0.00 O ATOM 1178 CB ALA B 12 12.304 -2.738 3.133 1.00 0.00 C ATOM 0 H ALA B 12 12.193 -0.361 3.325 1.00 0.00 H new ATOM 0 HA ALA B 12 10.804 -2.492 4.699 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.303 -3.825 3.207 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.649 -2.429 2.318 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.318 -2.389 2.936 1.00 0.00 H new ATOM 1184 N VAL B 13 13.889 -1.939 5.672 1.00 0.00 N ATOM 1185 CA VAL B 13 14.824 -2.272 6.785 1.00 0.00 C ATOM 1186 C VAL B 13 14.204 -1.859 8.121 1.00 0.00 C ATOM 1187 O VAL B 13 14.258 -2.583 9.094 1.00 0.00 O ATOM 1188 CB VAL B 13 16.086 -1.458 6.501 1.00 0.00 C ATOM 1189 CG1 VAL B 13 17.132 -1.742 7.581 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.647 -1.848 5.133 1.00 0.00 C ATOM 0 H VAL B 13 14.232 -1.245 5.008 1.00 0.00 H new ATOM 0 HA VAL B 13 15.039 -3.339 6.846 1.00 0.00 H new ATOM 0 HB VAL B 13 15.841 -0.396 6.504 1.00 0.00 H new ATOM 0 HG11 VAL B 13 18.032 -1.161 7.378 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.733 -1.464 8.556 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.378 -2.804 7.579 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.547 -1.268 4.930 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.892 -2.910 5.129 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.903 -1.644 4.363 1.00 0.00 H new ATOM 1200 N ALA B 14 13.608 -0.698 8.171 1.00 0.00 N ATOM 1201 CA ALA B 14 12.977 -0.236 9.440 1.00 0.00 C ATOM 1202 C ALA B 14 11.877 -1.213 9.864 1.00 0.00 C ATOM 1203 O ALA B 14 11.747 -1.552 11.024 1.00 0.00 O ATOM 1204 CB ALA B 14 12.379 1.132 9.110 1.00 0.00 C ATOM 0 H ALA B 14 13.531 -0.050 7.387 1.00 0.00 H new ATOM 0 HA ALA B 14 13.691 -0.181 10.262 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.894 1.541 9.997 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.171 1.807 8.786 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.645 1.025 8.312 1.00 0.00 H new ATOM 1210 N THR B 15 11.087 -1.669 8.932 1.00 0.00 N ATOM 1211 CA THR B 15 9.997 -2.625 9.279 1.00 0.00 C ATOM 1212 C THR B 15 10.595 -3.937 9.795 1.00 0.00 C ATOM 1213 O THR B 15 10.134 -4.502 10.767 1.00 0.00 O ATOM 1214 CB THR B 15 9.243 -2.858 7.969 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.551 -1.671 7.606 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.241 -4.000 8.150 1.00 0.00 C ATOM 0 H THR B 15 11.149 -1.421 7.944 1.00 0.00 H new ATOM 0 HA THR B 15 9.343 -2.242 10.062 1.00 0.00 H new ATOM 0 HB THR B 15 9.951 -3.121 7.184 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.157 -1.075 7.119 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.704 -4.165 7.216 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.773 -4.910 8.428 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.531 -3.740 8.935 1.00 0.00 H new ATOM 1224 N VAL B 16 11.621 -4.424 9.152 1.00 0.00 N ATOM 1225 CA VAL B 16 12.249 -5.698 9.607 1.00 0.00 C ATOM 1226 C VAL B 16 12.840 -5.520 11.008 1.00 0.00 C ATOM 1227 O VAL B 16 12.645 -6.341 11.883 1.00 0.00 O ATOM 1228 CB VAL B 16 13.355 -5.982 8.590 1.00 0.00 C ATOM 1229 CG1 VAL B 16 13.970 -7.353 8.875 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.764 -5.971 7.179 1.00 0.00 C ATOM 0 H VAL B 16 12.051 -3.996 8.332 1.00 0.00 H new ATOM 0 HA VAL B 16 11.531 -6.516 9.664 1.00 0.00 H new ATOM 0 HB VAL B 16 14.126 -5.215 8.667 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.758 -7.556 8.150 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.391 -7.361 9.881 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.200 -8.120 8.798 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.552 -6.173 6.453 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.993 -6.738 7.101 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.326 -4.994 6.976 1.00 0.00 H new ATOM 1240 N VAL B 17 13.559 -4.452 11.229 1.00 0.00 N ATOM 1241 CA VAL B 17 14.157 -4.224 12.576 1.00 0.00 C ATOM 1242 C VAL B 17 13.055 -4.188 13.637 1.00 0.00 C ATOM 1243 O VAL B 17 13.190 -4.751 14.706 1.00 0.00 O ATOM 1244 CB VAL B 17 14.853 -2.866 12.477 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.487 -2.517 13.824 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.943 -2.928 11.405 1.00 0.00 C ATOM 0 H VAL B 17 13.758 -3.730 10.537 1.00 0.00 H new ATOM 0 HA VAL B 17 14.851 -5.014 12.862 1.00 0.00 H new ATOM 0 HB VAL B 17 14.121 -2.103 12.210 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.983 -1.549 13.753 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.713 -2.473 14.590 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.218 -3.280 14.091 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.439 -1.960 11.334 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.673 -3.692 11.673 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.494 -3.177 10.443 1.00 0.00 H new ATOM 1256 N ALA B 18 11.962 -3.536 13.349 1.00 0.00 N ATOM 1257 CA ALA B 18 10.849 -3.472 14.339 1.00 0.00 C ATOM 1258 C ALA B 18 10.343 -4.884 14.647 1.00 0.00 C ATOM 1259 O ALA B 18 10.136 -5.245 15.788 1.00 0.00 O ATOM 1260 CB ALA B 18 9.758 -2.646 13.659 1.00 0.00 C ATOM 0 H ALA B 18 11.791 -3.045 12.471 1.00 0.00 H new ATOM 0 HA ALA B 18 11.160 -3.029 15.285 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.902 -2.554 14.327 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.145 -1.654 13.426 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.448 -3.140 12.738 1.00 0.00 H new ATOM 1266 N ALA B 19 10.145 -5.685 13.636 1.00 0.00 N ATOM 1267 CA ALA B 19 9.656 -7.073 13.870 1.00 0.00 C ATOM 1268 C ALA B 19 10.717 -7.881 14.620 1.00 0.00 C ATOM 1269 O ALA B 19 10.415 -8.629 15.528 1.00 0.00 O ATOM 1270 CB ALA B 19 9.425 -7.653 12.473 1.00 0.00 C ATOM 0 H ALA B 19 10.301 -5.438 12.659 1.00 0.00 H new ATOM 0 HA ALA B 19 8.749 -7.098 14.474 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.063 -8.677 12.560 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.685 -7.050 11.946 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.362 -7.646 11.916 1.00 0.00 H new ATOM 1276 N VAL B 20 11.959 -7.734 14.248 1.00 0.00 N ATOM 1277 CA VAL B 20 13.040 -8.491 14.942 1.00 0.00 C ATOM 1278 C VAL B 20 13.192 -7.989 16.380 1.00 0.00 C ATOM 1279 O VAL B 20 13.334 -8.762 17.306 1.00 0.00 O ATOM 1280 CB VAL B 20 14.308 -8.205 14.137 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.527 -8.705 14.912 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.230 -8.927 12.790 1.00 0.00 C ATOM 0 H VAL B 20 12.272 -7.123 13.494 1.00 0.00 H new ATOM 0 HA VAL B 20 12.827 -9.559 14.997 1.00 0.00 H new ATOM 0 HB VAL B 20 14.398 -7.132 13.970 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.431 -8.501 14.339 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.583 -8.192 15.872 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.437 -9.778 15.079 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.134 -8.724 12.215 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.140 -10.000 12.957 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.361 -8.572 12.237 1.00 0.00 H new ATOM 1292 N ASP B 21 13.162 -6.698 16.573 1.00 0.00 N ATOM 1293 CA ASP B 21 13.302 -6.148 17.951 1.00 0.00 C ATOM 1294 C ASP B 21 12.118 -6.587 18.816 1.00 0.00 C ATOM 1295 O ASP B 21 12.252 -6.817 20.000 1.00 0.00 O ATOM 1296 CB ASP B 21 13.304 -4.628 17.773 1.00 0.00 C ATOM 1297 CG ASP B 21 14.272 -3.997 18.776 1.00 0.00 C ATOM 1298 OD1 ASP B 21 15.387 -4.482 18.877 1.00 0.00 O ATOM 1299 OD2 ASP B 21 13.883 -3.039 19.423 1.00 0.00 O ATOM 0 H ASP B 21 13.047 -6.002 15.837 1.00 0.00 H new ATOM 0 HA ASP B 21 14.206 -6.500 18.448 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.599 -4.371 16.756 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.299 -4.232 17.923 1.00 0.00 H new ATOM 1304 N GLN B 22 10.957 -6.707 18.230 1.00 0.00 N ATOM 1305 CA GLN B 22 9.765 -7.133 19.019 1.00 0.00 C ATOM 1306 C GLN B 22 9.930 -8.582 19.488 1.00 0.00 C ATOM 1307 O GLN B 22 9.521 -8.944 20.574 1.00 0.00 O ATOM 1308 CB GLN B 22 8.585 -7.015 18.052 1.00 0.00 C ATOM 1309 CG GLN B 22 7.426 -6.297 18.747 1.00 0.00 C ATOM 1310 CD GLN B 22 6.686 -7.280 19.656 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.283 -8.188 20.201 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.403 -7.139 19.843 1.00 0.00 N ATOM 0 H GLN B 22 10.783 -6.529 17.241 1.00 0.00 H new ATOM 0 HA GLN B 22 9.623 -6.524 19.912 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.885 -6.465 17.160 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.269 -8.005 17.724 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.803 -5.458 19.332 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.742 -5.886 18.005 1.00 0.00 H new ATOM 0 HE21 GLN B 22 4.902 -6.377 19.386 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.901 -7.790 20.446 1.00 0.00 H new ATOM 1321 N ALA B 23 10.520 -9.415 18.675 1.00 0.00 N ATOM 1322 CA ALA B 23 10.705 -10.842 19.071 1.00 0.00 C ATOM 1323 C ALA B 23 11.656 -10.951 20.269 1.00 0.00 C ATOM 1324 O ALA B 23 11.418 -11.707 21.191 1.00 0.00 O ATOM 1325 CB ALA B 23 11.315 -11.513 17.840 1.00 0.00 C ATOM 0 H ALA B 23 10.882 -9.170 17.753 1.00 0.00 H new ATOM 0 HA ALA B 23 9.768 -11.309 19.374 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.484 -12.570 18.048 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.633 -11.413 16.996 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.264 -11.035 17.598 1.00 0.00 H new ATOM 1331 N ARG B 24 12.730 -10.209 20.267 1.00 0.00 N ATOM 1332 CA ARG B 24 13.687 -10.283 21.410 1.00 0.00 C ATOM 1333 C ARG B 24 13.066 -9.655 22.665 1.00 0.00 C ATOM 1334 O ARG B 24 13.287 -10.107 23.771 1.00 0.00 O ATOM 1335 CB ARG B 24 14.931 -9.506 20.945 1.00 0.00 C ATOM 1336 CG ARG B 24 14.829 -8.029 21.352 1.00 0.00 C ATOM 1337 CD ARG B 24 15.936 -7.217 20.669 1.00 0.00 C ATOM 1338 NE ARG B 24 17.215 -7.850 21.108 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.302 -7.134 21.252 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.300 -5.853 20.987 1.00 0.00 N ATOM 1341 NH2 ARG B 24 19.403 -7.708 21.653 1.00 0.00 N ATOM 0 H ARG B 24 12.986 -9.556 19.526 1.00 0.00 H new ATOM 0 HA ARG B 24 13.940 -11.309 21.676 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.827 -9.948 21.381 1.00 0.00 H new ATOM 0 HB3 ARG B 24 15.032 -9.584 19.863 1.00 0.00 H new ATOM 0 HG2 ARG B 24 13.852 -7.633 21.073 1.00 0.00 H new ATOM 0 HG3 ARG B 24 14.914 -7.935 22.435 1.00 0.00 H new ATOM 0 HD2 ARG B 24 15.834 -7.247 19.584 1.00 0.00 H new ATOM 0 HD3 ARG B 24 15.894 -6.169 20.964 1.00 0.00 H new ATOM 0 HE ARG B 24 17.242 -8.852 21.298 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.445 -5.400 20.664 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.154 -5.307 21.103 1.00 0.00 H new ATOM 0 HH21 ARG B 24 19.413 -8.708 21.852 1.00 0.00 H new ATOM 0 HH22 ARG B 24 20.253 -7.156 21.767 1.00 0.00 H new