USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 755 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 30 CYS SG : rot 35:sc= 0.704 USER MOD Set 1.2: A 33 CYS SG : rot -48:sc= -1.27 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -6.11! C(o=-7.1!,f=-9.7!) USER MOD Set 1.4: A 67 CYS SG : rot -157:sc= -0.373 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -22:sc= 1.18 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc=-0.00946 (180deg=-0.143) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.282 X(o=-0.28,f=0.041) USER MOD Single : A 28 SER OG : rot 171:sc= 1.43 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0672) USER MOD Single : A 41 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.074) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= -2.58! (180deg=-5.37!) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.718) USER MOD Single : A 48 MET CE :methyl -153:sc= -0.0622 (180deg=-0.477) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 58 MET CE :methyl 163:sc= -4.51! (180deg=-5.14!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 101:sc= 0.722 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0524 USER MOD Single : A 84 SER OG : rot -44:sc= 0.113 USER MOD Single : A 85 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.31) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -112:sc= 1.03 (180deg=-2.03) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.24 F(o=-1,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.578 13.735 -3.270 1.00 0.00 N ATOM 132 CA LYS A 13 16.746 13.901 -4.456 1.00 0.00 C ATOM 133 C LYS A 13 15.751 12.752 -4.587 1.00 0.00 C ATOM 134 O LYS A 13 15.497 12.259 -5.686 1.00 0.00 O ATOM 135 CB LYS A 13 17.618 13.980 -5.710 1.00 0.00 C ATOM 136 CG LYS A 13 18.419 12.716 -5.975 1.00 0.00 C ATOM 137 CD LYS A 13 19.368 12.893 -7.148 1.00 0.00 C ATOM 138 CE LYS A 13 20.663 13.567 -6.721 1.00 0.00 C ATOM 139 NZ LYS A 13 21.646 12.587 -6.181 1.00 0.00 N ATOM 0 HA LYS A 13 16.188 14.832 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.983 14.185 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 13 18.304 14.821 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.987 12.450 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.739 11.889 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 13 19.590 11.921 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.884 13.489 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 13 21.100 14.088 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 13 20.448 14.321 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 22.515 13.085 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.239 12.108 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 21.871 11.882 -6.912 1.00 0.00 H new ATOM 153 N THR A 14 15.188 12.330 -3.459 1.00 0.00 N ATOM 154 CA THR A 14 14.221 11.240 -3.448 1.00 0.00 C ATOM 155 C THR A 14 12.901 11.682 -2.826 1.00 0.00 C ATOM 156 O THR A 14 12.878 12.519 -1.923 1.00 0.00 O ATOM 157 CB THR A 14 14.758 10.021 -2.674 1.00 0.00 C ATOM 158 OG1 THR A 14 16.089 9.716 -3.102 1.00 0.00 O ATOM 159 CG2 THR A 14 13.862 8.810 -2.884 1.00 0.00 C ATOM 0 H THR A 14 15.386 12.727 -2.541 1.00 0.00 H new ATOM 0 HA THR A 14 14.053 10.956 -4.487 1.00 0.00 H new ATOM 0 HB THR A 14 14.767 10.267 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.423 8.941 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.261 7.961 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.856 9.036 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.826 8.564 -3.945 1.00 0.00 H new ATOM 167 N LEU A 15 11.804 11.114 -3.314 1.00 0.00 N ATOM 168 CA LEU A 15 10.478 11.449 -2.805 1.00 0.00 C ATOM 169 C LEU A 15 10.139 10.612 -1.575 1.00 0.00 C ATOM 170 O LEU A 15 10.171 9.383 -1.620 1.00 0.00 O ATOM 171 CB LEU A 15 9.424 11.231 -3.891 1.00 0.00 C ATOM 172 CG LEU A 15 9.454 12.213 -5.063 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.633 11.680 -6.227 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.943 13.579 -4.628 1.00 0.00 C ATOM 0 H LEU A 15 11.806 10.420 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 15 10.481 12.500 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.541 10.222 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.439 11.279 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 15 10.487 12.323 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.666 12.392 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.044 10.725 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.600 11.540 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.972 14.265 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.918 13.487 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.573 13.965 -3.827 1.00 0.00 H new ATOM 186 N GLY A 16 9.813 11.288 -0.478 1.00 0.00 N ATOM 187 CA GLY A 16 9.470 10.590 0.748 1.00 0.00 C ATOM 188 C GLY A 16 8.076 9.996 0.707 1.00 0.00 C ATOM 189 O GLY A 16 7.909 8.781 0.817 1.00 0.00 O ATOM 0 H GLY A 16 9.780 12.306 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.195 9.796 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.543 11.281 1.588 1.00 0.00 H new ATOM 193 N ASP A 17 7.074 10.853 0.550 1.00 0.00 N ATOM 194 CA ASP A 17 5.687 10.406 0.495 1.00 0.00 C ATOM 195 C ASP A 17 5.569 9.093 -0.272 1.00 0.00 C ATOM 196 O ASP A 17 4.799 8.209 0.104 1.00 0.00 O ATOM 197 CB ASP A 17 4.810 11.475 -0.160 1.00 0.00 C ATOM 198 CG ASP A 17 4.815 11.380 -1.673 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.748 11.927 -2.298 1.00 0.00 O ATOM 200 OD2 ASP A 17 3.886 10.761 -2.232 1.00 0.00 O ATOM 0 H ASP A 17 7.196 11.862 0.459 1.00 0.00 H new ATOM 0 HA ASP A 17 5.343 10.241 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.787 11.375 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.160 12.462 0.140 1.00 0.00 H new ATOM 205 N PHE A 18 6.337 8.973 -1.350 1.00 0.00 N ATOM 206 CA PHE A 18 6.317 7.769 -2.172 1.00 0.00 C ATOM 207 C PHE A 18 7.520 6.881 -1.866 1.00 0.00 C ATOM 208 O PHE A 18 8.668 7.301 -2.015 1.00 0.00 O ATOM 209 CB PHE A 18 6.307 8.139 -3.657 1.00 0.00 C ATOM 210 CG PHE A 18 5.149 9.012 -4.049 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.864 8.497 -4.107 1.00 0.00 C ATOM 212 CD2 PHE A 18 5.346 10.348 -4.360 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.796 9.297 -4.467 1.00 0.00 C ATOM 214 CE2 PHE A 18 4.282 11.153 -4.720 1.00 0.00 C ATOM 215 CZ PHE A 18 3.006 10.627 -4.775 1.00 0.00 C ATOM 0 H PHE A 18 6.981 9.695 -1.674 1.00 0.00 H new ATOM 0 HA PHE A 18 5.409 7.214 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.237 8.651 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.280 7.225 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.695 7.457 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.342 10.765 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.799 8.883 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.448 12.193 -4.958 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.174 11.255 -5.058 1.00 0.00 H new ATOM 225 N ALA A 19 7.248 5.653 -1.438 1.00 0.00 N ATOM 226 CA ALA A 19 8.307 4.706 -1.112 1.00 0.00 C ATOM 227 C ALA A 19 7.960 3.304 -1.603 1.00 0.00 C ATOM 228 O ALA A 19 6.803 2.889 -1.556 1.00 0.00 O ATOM 229 CB ALA A 19 8.561 4.694 0.388 1.00 0.00 C ATOM 0 H ALA A 19 6.303 5.291 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 19 9.216 5.026 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.354 3.982 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.862 5.690 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.649 4.401 0.909 1.00 0.00 H new ATOM 235 N ALA A 20 8.970 2.581 -2.075 1.00 0.00 N ATOM 236 CA ALA A 20 8.772 1.226 -2.574 1.00 0.00 C ATOM 237 C ALA A 20 9.817 0.272 -2.004 1.00 0.00 C ATOM 238 O ALA A 20 10.995 0.614 -1.909 1.00 0.00 O ATOM 239 CB ALA A 20 8.815 1.211 -4.095 1.00 0.00 C ATOM 0 H ALA A 20 9.934 2.911 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 20 7.790 0.885 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.666 0.192 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.026 1.853 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.784 1.577 -4.435 1.00 0.00 H new ATOM 245 N GLU A 21 9.376 -0.924 -1.625 1.00 0.00 N ATOM 246 CA GLU A 21 10.275 -1.925 -1.063 1.00 0.00 C ATOM 247 C GLU A 21 9.585 -3.282 -0.967 1.00 0.00 C ATOM 248 O GLU A 21 8.364 -3.380 -1.091 1.00 0.00 O ATOM 249 CB GLU A 21 10.760 -1.488 0.320 1.00 0.00 C ATOM 250 CG GLU A 21 9.634 -1.147 1.281 1.00 0.00 C ATOM 251 CD GLU A 21 10.039 -0.111 2.312 1.00 0.00 C ATOM 252 OE1 GLU A 21 10.948 -0.402 3.118 1.00 0.00 O ATOM 253 OE2 GLU A 21 9.448 0.989 2.313 1.00 0.00 O ATOM 0 H GLU A 21 8.403 -1.223 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 21 11.134 -2.019 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.366 -2.285 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.408 -0.619 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.779 -0.776 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.310 -2.054 1.791 1.00 0.00 H new ATOM 260 N TYR A 22 10.375 -4.327 -0.745 1.00 0.00 N ATOM 261 CA TYR A 22 9.842 -5.679 -0.634 1.00 0.00 C ATOM 262 C TYR A 22 8.954 -5.816 0.599 1.00 0.00 C ATOM 263 O TYR A 22 9.284 -5.314 1.673 1.00 0.00 O ATOM 264 CB TYR A 22 10.982 -6.696 -0.571 1.00 0.00 C ATOM 265 CG TYR A 22 11.872 -6.686 -1.793 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.393 -7.102 -3.029 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.192 -6.258 -1.712 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.203 -7.095 -4.148 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.008 -6.246 -2.826 1.00 0.00 C ATOM 270 CZ TYR A 22 13.509 -6.666 -4.042 1.00 0.00 C ATOM 271 OH TYR A 22 14.319 -6.656 -5.155 1.00 0.00 O ATOM 0 H TYR A 22 11.387 -4.263 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 22 9.237 -5.877 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.589 -6.494 0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.561 -7.694 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.370 -7.437 -3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.586 -5.929 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.815 -7.424 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.031 -5.910 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 22 13.966 -7.282 -5.822 1.00 0.00 H new ATOM 281 N ALA A 23 7.826 -6.499 0.435 1.00 0.00 N ATOM 282 CA ALA A 23 6.891 -6.705 1.535 1.00 0.00 C ATOM 283 C ALA A 23 7.511 -7.570 2.627 1.00 0.00 C ATOM 284 O ALA A 23 7.433 -8.798 2.581 1.00 0.00 O ATOM 285 CB ALA A 23 5.606 -7.338 1.023 1.00 0.00 C ATOM 0 H ALA A 23 7.537 -6.919 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 23 6.657 -5.732 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.917 -7.486 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.147 -6.682 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.832 -8.300 0.563 1.00 0.00 H new ATOM 291 N LYS A 24 8.126 -6.922 3.610 1.00 0.00 N ATOM 292 CA LYS A 24 8.759 -7.631 4.716 1.00 0.00 C ATOM 293 C LYS A 24 7.857 -8.746 5.235 1.00 0.00 C ATOM 294 O LYS A 24 8.298 -9.882 5.412 1.00 0.00 O ATOM 295 CB LYS A 24 9.089 -6.658 5.851 1.00 0.00 C ATOM 296 CG LYS A 24 10.246 -7.112 6.723 1.00 0.00 C ATOM 297 CD LYS A 24 9.801 -8.139 7.750 1.00 0.00 C ATOM 298 CE LYS A 24 9.081 -7.484 8.919 1.00 0.00 C ATOM 299 NZ LYS A 24 10.018 -6.724 9.792 1.00 0.00 N ATOM 0 H LYS A 24 8.200 -5.906 3.664 1.00 0.00 H new ATOM 0 HA LYS A 24 9.683 -8.077 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.326 -5.683 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.205 -6.527 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.029 -7.539 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.679 -6.251 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.141 -8.866 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.669 -8.687 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.311 -6.812 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.575 -8.249 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.559 -6.524 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.877 -7.288 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.274 -5.828 9.330 1.00 0.00 H new ATOM 313 N SER A 25 6.592 -8.415 5.474 1.00 0.00 N ATOM 314 CA SER A 25 5.629 -9.388 5.975 1.00 0.00 C ATOM 315 C SER A 25 4.298 -9.264 5.238 1.00 0.00 C ATOM 316 O SER A 25 4.027 -8.254 4.591 1.00 0.00 O ATOM 317 CB SER A 25 5.412 -9.198 7.477 1.00 0.00 C ATOM 318 OG SER A 25 4.798 -7.950 7.749 1.00 0.00 O ATOM 0 H SER A 25 6.210 -7.480 5.329 1.00 0.00 H new ATOM 0 HA SER A 25 6.032 -10.385 5.797 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.789 -10.005 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.368 -9.257 7.996 1.00 0.00 H new ATOM 0 HG SER A 25 4.668 -7.853 8.716 1.00 0.00 H new ATOM 324 N ASN A 26 3.473 -10.301 5.342 1.00 0.00 N ATOM 325 CA ASN A 26 2.170 -10.309 4.686 1.00 0.00 C ATOM 326 C ASN A 26 1.075 -9.851 5.644 1.00 0.00 C ATOM 327 O ASN A 26 0.012 -10.465 5.726 1.00 0.00 O ATOM 328 CB ASN A 26 1.850 -11.710 4.159 1.00 0.00 C ATOM 329 CG ASN A 26 2.043 -12.781 5.215 1.00 0.00 C ATOM 330 OD1 ASN A 26 1.158 -13.026 6.035 1.00 0.00 O ATOM 331 ND2 ASN A 26 3.203 -13.426 5.198 1.00 0.00 N ATOM 0 H ASN A 26 3.683 -11.146 5.874 1.00 0.00 H new ATOM 0 HA ASN A 26 2.209 -9.613 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.820 -11.735 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.488 -11.928 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.390 -14.158 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.908 -13.190 4.500 1.00 0.00 H new ATOM 338 N ARG A 27 1.343 -8.767 6.365 1.00 0.00 N ATOM 339 CA ARG A 27 0.381 -8.227 7.318 1.00 0.00 C ATOM 340 C ARG A 27 -0.490 -7.158 6.665 1.00 0.00 C ATOM 341 O ARG A 27 -1.718 -7.231 6.708 1.00 0.00 O ATOM 342 CB ARG A 27 1.106 -7.639 8.530 1.00 0.00 C ATOM 343 CG ARG A 27 1.689 -8.690 9.460 1.00 0.00 C ATOM 344 CD ARG A 27 0.601 -9.400 10.249 1.00 0.00 C ATOM 345 NE ARG A 27 1.081 -9.866 11.548 1.00 0.00 N ATOM 346 CZ ARG A 27 1.271 -9.065 12.591 1.00 0.00 C ATOM 347 NH1 ARG A 27 1.022 -7.767 12.489 1.00 0.00 N ATOM 348 NH2 ARG A 27 1.711 -9.564 13.740 1.00 0.00 N ATOM 0 H ARG A 27 2.218 -8.246 6.307 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.262 -9.043 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.908 -6.988 8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.410 -7.015 9.091 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.253 -9.419 8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.391 -8.219 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.241 -8.723 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.231 -10.249 9.674 1.00 0.00 H new ATOM 0 HE ARG A 27 1.281 -10.860 11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.683 -7.380 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.169 -7.155 13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.903 -10.562 13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.857 -8.949 14.541 1.00 0.00 H new ATOM 362 N SER A 28 0.155 -6.165 6.060 1.00 0.00 N ATOM 363 CA SER A 28 -0.560 -5.079 5.401 1.00 0.00 C ATOM 364 C SER A 28 -1.461 -5.615 4.292 1.00 0.00 C ATOM 365 O SER A 28 -1.247 -6.713 3.778 1.00 0.00 O ATOM 366 CB SER A 28 0.429 -4.065 4.824 1.00 0.00 C ATOM 367 OG SER A 28 -0.242 -2.911 4.348 1.00 0.00 O ATOM 0 H SER A 28 1.171 -6.091 6.013 1.00 0.00 H new ATOM 0 HA SER A 28 -1.184 -4.584 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.150 -3.780 5.590 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.992 -4.524 4.011 1.00 0.00 H new ATOM 0 HG SER A 28 0.415 -2.220 4.124 1.00 0.00 H new ATOM 373 N THR A 29 -2.470 -4.830 3.927 1.00 0.00 N ATOM 374 CA THR A 29 -3.405 -5.225 2.881 1.00 0.00 C ATOM 375 C THR A 29 -3.774 -4.039 1.997 1.00 0.00 C ATOM 376 O THR A 29 -4.118 -2.966 2.493 1.00 0.00 O ATOM 377 CB THR A 29 -4.692 -5.827 3.475 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.363 -6.863 4.408 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.583 -6.390 2.378 1.00 0.00 C ATOM 0 H THR A 29 -2.660 -3.917 4.340 1.00 0.00 H new ATOM 0 HA THR A 29 -2.903 -5.982 2.279 1.00 0.00 H new ATOM 0 HB THR A 29 -5.234 -5.034 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.187 -7.240 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.486 -6.810 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.856 -5.593 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.047 -7.171 1.839 1.00 0.00 H new ATOM 387 N CYS A 30 -3.700 -4.239 0.686 1.00 0.00 N ATOM 388 CA CYS A 30 -4.026 -3.186 -0.268 1.00 0.00 C ATOM 389 C CYS A 30 -5.490 -2.773 -0.143 1.00 0.00 C ATOM 390 O CYS A 30 -6.339 -3.568 0.262 1.00 0.00 O ATOM 391 CB CYS A 30 -3.738 -3.655 -1.696 1.00 0.00 C ATOM 392 SG CYS A 30 -3.935 -2.357 -2.959 1.00 0.00 S ATOM 0 H CYS A 30 -3.417 -5.121 0.260 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.402 -2.321 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.719 -4.040 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.403 -4.484 -1.936 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.559 -1.213 -2.468 1.00 0.00 H new ATOM 397 N LYS A 31 -5.779 -1.524 -0.494 1.00 0.00 N ATOM 398 CA LYS A 31 -7.139 -1.004 -0.424 1.00 0.00 C ATOM 399 C LYS A 31 -7.752 -0.891 -1.816 1.00 0.00 C ATOM 400 O LYS A 31 -8.972 -0.844 -1.966 1.00 0.00 O ATOM 401 CB LYS A 31 -7.149 0.364 0.262 1.00 0.00 C ATOM 402 CG LYS A 31 -6.500 0.361 1.635 1.00 0.00 C ATOM 403 CD LYS A 31 -7.510 0.058 2.729 1.00 0.00 C ATOM 404 CE LYS A 31 -6.862 -0.663 3.901 1.00 0.00 C ATOM 405 NZ LYS A 31 -7.823 -0.879 5.019 1.00 0.00 N ATOM 0 H LYS A 31 -5.088 -0.853 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.738 -1.702 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.632 1.083 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.180 0.706 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.702 -0.381 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.039 1.331 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.961 0.987 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.315 -0.555 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.473 -1.624 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.012 -0.082 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.343 -1.373 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.176 0.040 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.622 -1.455 4.684 1.00 0.00 H new ATOM 419 N GLY A 32 -6.896 -0.850 -2.833 1.00 0.00 N ATOM 420 CA GLY A 32 -7.372 -0.744 -4.200 1.00 0.00 C ATOM 421 C GLY A 32 -8.006 -2.030 -4.694 1.00 0.00 C ATOM 422 O GLY A 32 -8.919 -2.003 -5.520 1.00 0.00 O ATOM 0 H GLY A 32 -5.882 -0.888 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.099 0.065 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.540 -0.479 -4.852 1.00 0.00 H new ATOM 426 N CYS A 33 -7.521 -3.159 -4.188 1.00 0.00 N ATOM 427 CA CYS A 33 -8.044 -4.461 -4.584 1.00 0.00 C ATOM 428 C CYS A 33 -8.557 -5.232 -3.372 1.00 0.00 C ATOM 429 O CYS A 33 -9.192 -6.277 -3.511 1.00 0.00 O ATOM 430 CB CYS A 33 -6.963 -5.273 -5.299 1.00 0.00 C ATOM 431 SG CYS A 33 -5.391 -5.385 -4.384 1.00 0.00 S ATOM 0 H CYS A 33 -6.766 -3.198 -3.503 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.877 -4.297 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.339 -6.280 -5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.772 -4.825 -6.274 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.037 -4.200 -3.982 1.00 0.00 H new ATOM 436 N MET A 34 -8.277 -4.709 -2.182 1.00 0.00 N ATOM 437 CA MET A 34 -8.711 -5.348 -0.945 1.00 0.00 C ATOM 438 C MET A 34 -8.171 -6.771 -0.850 1.00 0.00 C ATOM 439 O MET A 34 -8.902 -7.700 -0.508 1.00 0.00 O ATOM 440 CB MET A 34 -10.239 -5.363 -0.863 1.00 0.00 C ATOM 441 CG MET A 34 -10.853 -3.982 -0.706 1.00 0.00 C ATOM 442 SD MET A 34 -12.654 -4.010 -0.781 1.00 0.00 S ATOM 443 CE MET A 34 -13.064 -4.133 0.958 1.00 0.00 C ATOM 0 H MET A 34 -7.752 -3.845 -2.049 1.00 0.00 H new ATOM 0 HA MET A 34 -8.315 -4.772 -0.109 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.638 -5.829 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.543 -5.985 -0.021 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.540 -3.555 0.247 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.471 -3.328 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.147 -4.161 1.075 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.631 -5.044 1.370 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.664 -3.269 1.488 1.00 0.00 H new ATOM 453 N GLU A 35 -6.887 -6.934 -1.155 1.00 0.00 N ATOM 454 CA GLU A 35 -6.251 -8.245 -1.104 1.00 0.00 C ATOM 455 C GLU A 35 -4.928 -8.179 -0.345 1.00 0.00 C ATOM 456 O GLU A 35 -4.145 -7.245 -0.519 1.00 0.00 O ATOM 457 CB GLU A 35 -6.014 -8.777 -2.519 1.00 0.00 C ATOM 458 CG GLU A 35 -4.666 -8.384 -3.099 1.00 0.00 C ATOM 459 CD GLU A 35 -4.601 -8.570 -4.602 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.670 -8.572 -5.247 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.480 -8.713 -5.134 1.00 0.00 O ATOM 0 H GLU A 35 -6.268 -6.175 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.920 -8.924 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.092 -9.864 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.803 -8.408 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.460 -7.341 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.884 -8.981 -2.629 1.00 0.00 H new ATOM 468 N LYS A 36 -4.686 -9.177 0.497 1.00 0.00 N ATOM 469 CA LYS A 36 -3.459 -9.235 1.283 1.00 0.00 C ATOM 470 C LYS A 36 -2.232 -9.116 0.385 1.00 0.00 C ATOM 471 O LYS A 36 -2.279 -9.464 -0.795 1.00 0.00 O ATOM 472 CB LYS A 36 -3.399 -10.541 2.077 1.00 0.00 C ATOM 473 CG LYS A 36 -3.681 -11.776 1.239 1.00 0.00 C ATOM 474 CD LYS A 36 -2.409 -12.339 0.629 1.00 0.00 C ATOM 475 CE LYS A 36 -2.690 -13.057 -0.682 1.00 0.00 C ATOM 476 NZ LYS A 36 -3.226 -14.428 -0.460 1.00 0.00 N ATOM 0 H LYS A 36 -5.324 -9.958 0.653 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.462 -8.395 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.412 -10.637 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.120 -10.494 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.156 -12.537 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.386 -11.525 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.698 -11.531 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.943 -13.030 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.405 -12.478 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.772 -13.116 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.404 -14.884 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.534 -14.989 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.115 -14.370 0.077 1.00 0.00 H new ATOM 490 N ILE A 37 -1.135 -8.626 0.952 1.00 0.00 N ATOM 491 CA ILE A 37 0.105 -8.465 0.202 1.00 0.00 C ATOM 492 C ILE A 37 1.107 -9.559 0.556 1.00 0.00 C ATOM 493 O ILE A 37 1.756 -9.505 1.600 1.00 0.00 O ATOM 494 CB ILE A 37 0.748 -7.091 0.466 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.240 -5.970 0.139 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.022 -6.936 -0.352 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.225 -4.603 0.590 1.00 0.00 C ATOM 0 H ILE A 37 -1.079 -8.334 1.928 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.153 -8.539 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 37 1.007 -7.025 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.411 -5.950 -0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.198 -6.192 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.465 -5.960 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.729 -7.718 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.786 -7.019 -1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.525 -3.858 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.368 -4.606 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.168 -4.359 0.100 1.00 0.00 H new ATOM 509 N GLU A 38 1.229 -10.549 -0.323 1.00 0.00 N ATOM 510 CA GLU A 38 2.154 -11.655 -0.104 1.00 0.00 C ATOM 511 C GLU A 38 3.558 -11.139 0.195 1.00 0.00 C ATOM 512 O GLU A 38 4.038 -10.203 -0.445 1.00 0.00 O ATOM 513 CB GLU A 38 2.185 -12.573 -1.327 1.00 0.00 C ATOM 514 CG GLU A 38 1.009 -13.532 -1.399 1.00 0.00 C ATOM 515 CD GLU A 38 1.291 -14.737 -2.275 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.348 -15.374 -2.083 1.00 0.00 O ATOM 517 OE2 GLU A 38 0.456 -15.043 -3.151 1.00 0.00 O ATOM 0 H GLU A 38 0.699 -10.608 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 38 1.804 -12.223 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.200 -11.962 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.111 -13.148 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.758 -13.869 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.137 -13.003 -1.785 1.00 0.00 H new ATOM 524 N LYS A 39 4.213 -11.756 1.173 1.00 0.00 N ATOM 525 CA LYS A 39 5.563 -11.361 1.558 1.00 0.00 C ATOM 526 C LYS A 39 6.524 -11.489 0.380 1.00 0.00 C ATOM 527 O LYS A 39 6.386 -12.384 -0.452 1.00 0.00 O ATOM 528 CB LYS A 39 6.054 -12.220 2.726 1.00 0.00 C ATOM 529 CG LYS A 39 7.500 -11.956 3.109 1.00 0.00 C ATOM 530 CD LYS A 39 8.084 -13.110 3.907 1.00 0.00 C ATOM 531 CE LYS A 39 9.465 -12.770 4.448 1.00 0.00 C ATOM 532 NZ LYS A 39 10.439 -12.504 3.354 1.00 0.00 N ATOM 0 H LYS A 39 3.831 -12.532 1.714 1.00 0.00 H new ATOM 0 HA LYS A 39 5.535 -10.317 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.418 -12.038 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.942 -13.272 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.093 -11.798 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.561 -11.039 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.418 -13.356 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.147 -13.996 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.397 -11.895 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.827 -13.593 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.389 -12.377 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.448 -13.308 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.161 -11.641 2.844 1.00 0.00 H new ATOM 546 N GLY A 40 7.500 -10.588 0.318 1.00 0.00 N ATOM 547 CA GLY A 40 8.470 -10.619 -0.761 1.00 0.00 C ATOM 548 C GLY A 40 8.045 -9.778 -1.948 1.00 0.00 C ATOM 549 O GLY A 40 8.847 -9.026 -2.502 1.00 0.00 O ATOM 0 H GLY A 40 7.636 -9.838 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.431 -10.261 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.617 -11.650 -1.084 1.00 0.00 H new ATOM 553 N GLN A 41 6.782 -9.906 -2.340 1.00 0.00 N ATOM 554 CA GLN A 41 6.253 -9.152 -3.471 1.00 0.00 C ATOM 555 C GLN A 41 6.453 -7.654 -3.267 1.00 0.00 C ATOM 556 O GLN A 41 6.062 -7.099 -2.240 1.00 0.00 O ATOM 557 CB GLN A 41 4.767 -9.459 -3.665 1.00 0.00 C ATOM 558 CG GLN A 41 4.501 -10.847 -4.224 1.00 0.00 C ATOM 559 CD GLN A 41 4.913 -10.981 -5.677 1.00 0.00 C ATOM 560 OE1 GLN A 41 5.998 -11.476 -5.983 1.00 0.00 O ATOM 561 NE2 GLN A 41 4.046 -10.539 -6.581 1.00 0.00 N ATOM 0 H GLN A 41 6.106 -10.524 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 41 6.799 -9.454 -4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.256 -9.358 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.336 -8.717 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.040 -11.584 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.439 -11.075 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.158 -10.136 -6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.268 -10.603 -7.574 1.00 0.00 H new ATOM 570 N VAL A 42 7.064 -7.004 -4.253 1.00 0.00 N ATOM 571 CA VAL A 42 7.315 -5.570 -4.183 1.00 0.00 C ATOM 572 C VAL A 42 6.042 -4.805 -3.836 1.00 0.00 C ATOM 573 O VAL A 42 4.945 -5.193 -4.236 1.00 0.00 O ATOM 574 CB VAL A 42 7.877 -5.033 -5.512 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.050 -3.523 -5.448 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.195 -5.715 -5.848 1.00 0.00 C ATOM 0 H VAL A 42 7.394 -7.448 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 42 8.054 -5.416 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 42 7.164 -5.260 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.448 -3.162 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.085 -3.054 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.741 -3.270 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.578 -5.323 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.917 -5.522 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.036 -6.789 -5.940 1.00 0.00 H new ATOM 586 N ARG A 43 6.197 -3.717 -3.089 1.00 0.00 N ATOM 587 CA ARG A 43 5.060 -2.898 -2.687 1.00 0.00 C ATOM 588 C ARG A 43 5.473 -1.438 -2.523 1.00 0.00 C ATOM 589 O ARG A 43 6.650 -1.132 -2.330 1.00 0.00 O ATOM 590 CB ARG A 43 4.465 -3.421 -1.378 1.00 0.00 C ATOM 591 CG ARG A 43 5.427 -3.357 -0.204 1.00 0.00 C ATOM 592 CD ARG A 43 4.717 -3.628 1.114 1.00 0.00 C ATOM 593 NE ARG A 43 5.584 -3.383 2.263 1.00 0.00 N ATOM 594 CZ ARG A 43 5.209 -3.583 3.522 1.00 0.00 C ATOM 595 NH1 ARG A 43 3.990 -4.029 3.791 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.055 -3.337 4.514 1.00 0.00 N ATOM 0 H ARG A 43 7.099 -3.382 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 43 4.305 -2.959 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.573 -2.843 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.147 -4.454 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.224 -4.086 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.897 -2.374 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.832 -2.995 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.372 -4.662 1.134 1.00 0.00 H new ATOM 0 HE ARG A 43 6.529 -3.040 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.337 -4.220 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.705 -4.182 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.994 -2.994 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.767 -3.491 5.480 1.00 0.00 H new ATOM 610 N LEU A 44 4.496 -0.540 -2.604 1.00 0.00 N ATOM 611 CA LEU A 44 4.757 0.888 -2.465 1.00 0.00 C ATOM 612 C LEU A 44 3.812 1.518 -1.447 1.00 0.00 C ATOM 613 O LEU A 44 2.777 0.944 -1.108 1.00 0.00 O ATOM 614 CB LEU A 44 4.608 1.587 -3.817 1.00 0.00 C ATOM 615 CG LEU A 44 5.314 0.921 -4.999 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.374 -0.043 -5.707 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.835 1.970 -5.970 1.00 0.00 C ATOM 0 H LEU A 44 3.517 -0.776 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 44 5.780 1.013 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.546 1.662 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.986 2.605 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 44 6.164 0.355 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.893 -0.508 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.050 -0.814 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.504 0.501 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.334 1.477 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.002 2.564 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.543 2.621 -5.457 1.00 0.00 H new ATOM 629 N SER A 45 4.174 2.702 -0.965 1.00 0.00 N ATOM 630 CA SER A 45 3.359 3.410 0.016 1.00 0.00 C ATOM 631 C SER A 45 3.231 4.886 -0.348 1.00 0.00 C ATOM 632 O SER A 45 4.089 5.447 -1.030 1.00 0.00 O ATOM 633 CB SER A 45 3.967 3.269 1.413 1.00 0.00 C ATOM 634 OG SER A 45 5.185 3.985 1.514 1.00 0.00 O ATOM 0 H SER A 45 5.026 3.192 -1.237 1.00 0.00 H new ATOM 0 HA SER A 45 2.364 2.965 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.262 3.637 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.142 2.216 1.632 1.00 0.00 H new ATOM 0 HG SER A 45 5.552 3.880 2.417 1.00 0.00 H new ATOM 640 N LYS A 46 2.152 5.511 0.113 1.00 0.00 N ATOM 641 CA LYS A 46 1.910 6.922 -0.162 1.00 0.00 C ATOM 642 C LYS A 46 1.407 7.641 1.086 1.00 0.00 C ATOM 643 O LYS A 46 0.358 7.299 1.632 1.00 0.00 O ATOM 644 CB LYS A 46 0.893 7.075 -1.295 1.00 0.00 C ATOM 645 CG LYS A 46 0.372 8.493 -1.458 1.00 0.00 C ATOM 646 CD LYS A 46 -0.407 8.655 -2.752 1.00 0.00 C ATOM 647 CE LYS A 46 -0.488 10.114 -3.175 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.599 10.258 -4.653 1.00 0.00 N ATOM 0 H LYS A 46 1.432 5.062 0.679 1.00 0.00 H new ATOM 0 HA LYS A 46 2.854 7.374 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.353 6.756 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.052 6.407 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.268 8.746 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.208 9.192 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.070 8.072 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.413 8.256 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.349 10.583 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.398 10.644 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.217 10.794 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.615 9.316 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.476 10.765 -4.888 1.00 0.00 H new ATOM 662 N LYS A 47 2.162 8.638 1.533 1.00 0.00 N ATOM 663 CA LYS A 47 1.793 9.408 2.716 1.00 0.00 C ATOM 664 C LYS A 47 0.538 10.236 2.456 1.00 0.00 C ATOM 665 O LYS A 47 0.537 11.127 1.608 1.00 0.00 O ATOM 666 CB LYS A 47 2.945 10.325 3.133 1.00 0.00 C ATOM 667 CG LYS A 47 2.881 10.758 4.588 1.00 0.00 C ATOM 668 CD LYS A 47 3.848 11.895 4.874 1.00 0.00 C ATOM 669 CE LYS A 47 5.222 11.373 5.264 1.00 0.00 C ATOM 670 NZ LYS A 47 6.100 11.181 4.076 1.00 0.00 N ATOM 0 H LYS A 47 3.034 8.933 1.094 1.00 0.00 H new ATOM 0 HA LYS A 47 1.584 8.707 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.890 9.811 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.941 11.211 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.866 11.073 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.114 9.910 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.936 12.530 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.453 12.517 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.693 12.072 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.114 10.426 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.097 11.226 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.907 10.253 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.911 11.930 3.380 1.00 0.00 H new ATOM 684 N MET A 48 -0.526 9.935 3.193 1.00 0.00 N ATOM 685 CA MET A 48 -1.786 10.654 3.043 1.00 0.00 C ATOM 686 C MET A 48 -2.686 10.432 4.255 1.00 0.00 C ATOM 687 O MET A 48 -2.447 9.533 5.061 1.00 0.00 O ATOM 688 CB MET A 48 -2.506 10.206 1.770 1.00 0.00 C ATOM 689 CG MET A 48 -2.981 8.763 1.817 1.00 0.00 C ATOM 690 SD MET A 48 -4.312 8.432 0.645 1.00 0.00 S ATOM 691 CE MET A 48 -5.745 8.581 1.709 1.00 0.00 C ATOM 0 H MET A 48 -0.541 9.199 3.899 1.00 0.00 H new ATOM 0 HA MET A 48 -1.561 11.718 2.969 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.363 10.857 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.836 10.332 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.142 8.101 1.604 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.323 8.530 2.825 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.557 7.970 1.314 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.490 8.240 2.712 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.061 9.623 1.749 1.00 0.00 H new ATOM 701 N VAL A 49 -3.721 11.257 4.377 1.00 0.00 N ATOM 702 CA VAL A 49 -4.657 11.150 5.490 1.00 0.00 C ATOM 703 C VAL A 49 -5.923 10.409 5.074 1.00 0.00 C ATOM 704 O VAL A 49 -6.523 10.715 4.044 1.00 0.00 O ATOM 705 CB VAL A 49 -5.043 12.539 6.034 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.220 12.428 6.991 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.851 13.195 6.714 1.00 0.00 C ATOM 0 H VAL A 49 -3.933 12.007 3.719 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.152 10.588 6.276 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.345 13.168 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.479 13.418 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.076 12.003 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.950 11.783 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.142 14.175 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.516 12.571 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.040 13.310 5.995 1.00 0.00 H new ATOM 717 N ASP A 50 -6.322 9.434 5.882 1.00 0.00 N ATOM 718 CA ASP A 50 -7.519 8.649 5.599 1.00 0.00 C ATOM 719 C ASP A 50 -8.780 9.463 5.871 1.00 0.00 C ATOM 720 O ASP A 50 -8.966 10.022 6.952 1.00 0.00 O ATOM 721 CB ASP A 50 -7.528 7.373 6.443 1.00 0.00 C ATOM 722 CG ASP A 50 -8.576 6.380 5.979 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.606 6.070 4.770 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.366 5.913 6.826 1.00 0.00 O ATOM 0 H ASP A 50 -5.835 9.168 6.738 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.505 8.378 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.544 6.905 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.713 7.632 7.486 1.00 0.00 H new ATOM 729 N PRO A 51 -9.666 9.534 4.867 1.00 0.00 N ATOM 730 CA PRO A 51 -10.925 10.278 4.974 1.00 0.00 C ATOM 731 C PRO A 51 -11.911 9.614 5.929 1.00 0.00 C ATOM 732 O PRO A 51 -12.759 10.281 6.522 1.00 0.00 O ATOM 733 CB PRO A 51 -11.470 10.259 3.544 1.00 0.00 C ATOM 734 CG PRO A 51 -10.867 9.046 2.924 1.00 0.00 C ATOM 735 CD PRO A 51 -9.509 8.892 3.551 1.00 0.00 C ATOM 0 HA PRO A 51 -10.774 11.281 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.559 10.208 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.189 11.162 3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.484 8.166 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.787 9.159 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.227 7.843 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.735 9.377 2.957 1.00 0.00 H new ATOM 743 N GLU A 52 -11.794 8.298 6.074 1.00 0.00 N ATOM 744 CA GLU A 52 -12.677 7.546 6.958 1.00 0.00 C ATOM 745 C GLU A 52 -12.172 7.590 8.397 1.00 0.00 C ATOM 746 O GLU A 52 -12.939 7.400 9.342 1.00 0.00 O ATOM 747 CB GLU A 52 -12.788 6.094 6.489 1.00 0.00 C ATOM 748 CG GLU A 52 -13.662 5.916 5.259 1.00 0.00 C ATOM 749 CD GLU A 52 -14.218 4.510 5.137 1.00 0.00 C ATOM 750 OE1 GLU A 52 -13.421 3.551 5.196 1.00 0.00 O ATOM 751 OE2 GLU A 52 -15.449 4.370 4.982 1.00 0.00 O ATOM 0 H GLU A 52 -11.097 7.731 5.591 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.664 8.008 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.790 5.714 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.191 5.489 7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.487 6.627 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.081 6.151 4.368 1.00 0.00 H new ATOM 758 N LYS A 53 -10.878 7.842 8.556 1.00 0.00 N ATOM 759 CA LYS A 53 -10.268 7.912 9.879 1.00 0.00 C ATOM 760 C LYS A 53 -9.373 9.141 10.001 1.00 0.00 C ATOM 761 O LYS A 53 -8.146 9.051 9.956 1.00 0.00 O ATOM 762 CB LYS A 53 -9.455 6.646 10.157 1.00 0.00 C ATOM 763 CG LYS A 53 -10.278 5.511 10.742 1.00 0.00 C ATOM 764 CD LYS A 53 -10.799 5.856 12.127 1.00 0.00 C ATOM 765 CE LYS A 53 -11.291 4.618 12.862 1.00 0.00 C ATOM 766 NZ LYS A 53 -12.547 4.083 12.268 1.00 0.00 N ATOM 0 H LYS A 53 -10.230 8.001 7.785 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.067 7.992 10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.995 6.309 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.645 6.888 10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.117 5.290 10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.669 4.609 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.008 6.334 12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.612 6.577 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.520 3.848 12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.460 4.862 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.850 3.240 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.291 4.808 12.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.379 3.826 11.274 1.00 0.00 H new ATOM 780 N PRO A 54 -9.998 10.317 10.160 1.00 0.00 N ATOM 781 CA PRO A 54 -9.276 11.586 10.294 1.00 0.00 C ATOM 782 C PRO A 54 -8.530 11.691 11.620 1.00 0.00 C ATOM 783 O PRO A 54 -7.653 12.539 11.782 1.00 0.00 O ATOM 784 CB PRO A 54 -10.388 12.635 10.221 1.00 0.00 C ATOM 785 CG PRO A 54 -11.613 11.923 10.679 1.00 0.00 C ATOM 786 CD PRO A 54 -11.458 10.498 10.223 1.00 0.00 C ATOM 0 HA PRO A 54 -8.510 11.703 9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.167 13.491 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.507 13.015 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.714 11.977 11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.509 12.374 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.920 9.800 10.921 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.926 10.334 9.252 1.00 0.00 H new ATOM 794 N GLN A 55 -8.885 10.825 12.564 1.00 0.00 N ATOM 795 CA GLN A 55 -8.248 10.822 13.876 1.00 0.00 C ATOM 796 C GLN A 55 -6.767 10.480 13.761 1.00 0.00 C ATOM 797 O GLN A 55 -5.926 11.081 14.430 1.00 0.00 O ATOM 798 CB GLN A 55 -8.945 9.824 14.802 1.00 0.00 C ATOM 799 CG GLN A 55 -8.914 8.394 14.287 1.00 0.00 C ATOM 800 CD GLN A 55 -9.419 7.395 15.310 1.00 0.00 C ATOM 801 OE1 GLN A 55 -8.680 6.973 16.201 1.00 0.00 O ATOM 802 NE2 GLN A 55 -10.684 7.010 15.188 1.00 0.00 N ATOM 0 H GLN A 55 -9.610 10.117 12.445 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.338 11.823 14.299 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.471 9.859 15.783 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.982 10.130 14.938 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.522 8.323 13.385 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.893 8.135 14.005 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.261 7.385 14.435 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.079 6.339 15.847 1.00 0.00 H new ATOM 811 N LEU A 56 -6.453 9.510 12.909 1.00 0.00 N ATOM 812 CA LEU A 56 -5.072 9.086 12.706 1.00 0.00 C ATOM 813 C LEU A 56 -4.244 10.207 12.086 1.00 0.00 C ATOM 814 O LEU A 56 -3.148 10.514 12.552 1.00 0.00 O ATOM 815 CB LEU A 56 -5.024 7.846 11.812 1.00 0.00 C ATOM 816 CG LEU A 56 -5.892 6.667 12.252 1.00 0.00 C ATOM 817 CD1 LEU A 56 -6.159 5.734 11.081 1.00 0.00 C ATOM 818 CD2 LEU A 56 -5.229 5.914 13.396 1.00 0.00 C ATOM 0 H LEU A 56 -7.136 9.002 12.347 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.647 8.841 13.679 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.325 8.137 10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.990 7.507 11.751 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.847 7.056 12.605 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.778 4.901 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.677 6.279 10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.213 5.352 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.861 5.078 13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.260 5.537 13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.091 6.587 14.243 1.00 0.00 H new ATOM 830 N GLY A 57 -4.778 10.817 11.032 1.00 0.00 N ATOM 831 CA GLY A 57 -4.076 11.899 10.366 1.00 0.00 C ATOM 832 C GLY A 57 -3.090 11.398 9.329 1.00 0.00 C ATOM 833 O GLY A 57 -3.429 10.558 8.496 1.00 0.00 O ATOM 0 H GLY A 57 -5.684 10.581 10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.800 12.557 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.546 12.496 11.108 1.00 0.00 H new ATOM 837 N MET A 58 -1.868 11.917 9.378 1.00 0.00 N ATOM 838 CA MET A 58 -0.830 11.518 8.435 1.00 0.00 C ATOM 839 C MET A 58 -0.475 10.045 8.609 1.00 0.00 C ATOM 840 O MET A 58 0.232 9.674 9.546 1.00 0.00 O ATOM 841 CB MET A 58 0.419 12.381 8.623 1.00 0.00 C ATOM 842 CG MET A 58 0.379 13.686 7.844 1.00 0.00 C ATOM 843 SD MET A 58 1.090 13.533 6.195 1.00 0.00 S ATOM 844 CE MET A 58 -0.074 12.410 5.426 1.00 0.00 C ATOM 0 H MET A 58 -1.572 12.615 10.061 1.00 0.00 H new ATOM 0 HA MET A 58 -1.215 11.664 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.541 12.604 9.683 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.295 11.810 8.315 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.654 14.023 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.920 14.452 8.399 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.043 12.450 4.343 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.115 11.395 5.775 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.090 12.701 5.692 1.00 0.00 H new ATOM 854 N ILE A 59 -0.970 9.210 7.701 1.00 0.00 N ATOM 855 CA ILE A 59 -0.704 7.778 7.754 1.00 0.00 C ATOM 856 C ILE A 59 0.010 7.304 6.493 1.00 0.00 C ATOM 857 O ILE A 59 0.218 8.077 5.558 1.00 0.00 O ATOM 858 CB ILE A 59 -2.004 6.970 7.929 1.00 0.00 C ATOM 859 CG1 ILE A 59 -2.947 7.219 6.751 1.00 0.00 C ATOM 860 CG2 ILE A 59 -2.681 7.333 9.242 1.00 0.00 C ATOM 861 CD1 ILE A 59 -3.907 6.078 6.493 1.00 0.00 C ATOM 0 H ILE A 59 -1.558 9.501 6.920 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.061 7.608 8.618 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.754 5.909 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.518 8.128 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.355 7.395 5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.598 6.754 9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.010 7.109 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.921 8.396 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.545 6.324 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.344 5.171 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.525 5.916 7.376 1.00 0.00 H new ATOM 873 N ASP A 60 0.383 6.029 6.475 1.00 0.00 N ATOM 874 CA ASP A 60 1.072 5.450 5.327 1.00 0.00 C ATOM 875 C ASP A 60 0.378 4.173 4.865 1.00 0.00 C ATOM 876 O ASP A 60 0.358 3.172 5.581 1.00 0.00 O ATOM 877 CB ASP A 60 2.531 5.155 5.677 1.00 0.00 C ATOM 878 CG ASP A 60 3.349 6.418 5.860 1.00 0.00 C ATOM 879 OD1 ASP A 60 3.156 7.370 5.075 1.00 0.00 O ATOM 880 OD2 ASP A 60 4.182 6.455 6.790 1.00 0.00 O ATOM 0 H ASP A 60 0.220 5.377 7.242 1.00 0.00 H new ATOM 0 HA ASP A 60 1.041 6.174 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.570 4.565 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.976 4.549 4.888 1.00 0.00 H new ATOM 885 N ARG A 61 -0.191 4.216 3.665 1.00 0.00 N ATOM 886 CA ARG A 61 -0.888 3.063 3.108 1.00 0.00 C ATOM 887 C ARG A 61 0.034 2.258 2.197 1.00 0.00 C ATOM 888 O ARG A 61 1.163 2.666 1.923 1.00 0.00 O ATOM 889 CB ARG A 61 -2.125 3.514 2.329 1.00 0.00 C ATOM 890 CG ARG A 61 -3.283 3.936 3.218 1.00 0.00 C ATOM 891 CD ARG A 61 -3.898 2.744 3.935 1.00 0.00 C ATOM 892 NE ARG A 61 -4.923 3.151 4.892 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.372 2.366 5.866 1.00 0.00 C ATOM 894 NH1 ARG A 61 -4.887 1.141 6.012 1.00 0.00 N ATOM 895 NH2 ARG A 61 -6.307 2.808 6.698 1.00 0.00 N ATOM 0 H ARG A 61 -0.183 5.037 3.060 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.201 2.426 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.852 4.347 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.453 2.701 1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.934 4.663 3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.044 4.432 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.335 2.066 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.116 2.190 4.455 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.316 4.089 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.167 0.798 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.234 0.541 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.681 3.751 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.651 2.205 7.445 1.00 0.00 H new ATOM 909 N TRP A 62 -0.454 1.114 1.731 1.00 0.00 N ATOM 910 CA TRP A 62 0.327 0.252 0.851 1.00 0.00 C ATOM 911 C TRP A 62 -0.527 -0.268 -0.300 1.00 0.00 C ATOM 912 O TRP A 62 -1.700 -0.594 -0.117 1.00 0.00 O ATOM 913 CB TRP A 62 0.911 -0.921 1.639 1.00 0.00 C ATOM 914 CG TRP A 62 1.695 -0.496 2.844 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.210 -0.281 4.102 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.101 -0.233 2.903 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.230 0.100 4.940 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.400 0.136 4.229 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.136 -0.275 1.965 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.691 0.462 4.637 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.416 0.048 2.372 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.685 0.412 3.698 1.00 0.00 C ATOM 0 H TRP A 62 -1.386 0.762 1.948 1.00 0.00 H new ATOM 0 HA TRP A 62 1.143 0.843 0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.100 -1.577 1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.556 -1.505 0.982 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.177 -0.394 4.395 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.132 0.320 5.931 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.939 -0.555 0.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 4.900 0.744 5.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.224 0.019 1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.697 0.658 3.985 1.00 0.00 H new ATOM 933 N TYR A 63 0.067 -0.343 -1.486 1.00 0.00 N ATOM 934 CA TYR A 63 -0.641 -0.821 -2.667 1.00 0.00 C ATOM 935 C TYR A 63 0.309 -1.548 -3.614 1.00 0.00 C ATOM 936 O TYR A 63 1.407 -1.069 -3.900 1.00 0.00 O ATOM 937 CB TYR A 63 -1.309 0.347 -3.395 1.00 0.00 C ATOM 938 CG TYR A 63 -2.107 1.251 -2.482 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.472 2.167 -1.652 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.494 1.190 -2.451 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.196 2.995 -0.816 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.227 2.015 -1.619 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.573 2.916 -0.804 1.00 0.00 C ATOM 944 OH TYR A 63 -4.299 3.739 0.026 1.00 0.00 O ATOM 0 H TYR A 63 1.038 -0.079 -1.655 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.408 -1.523 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.543 0.937 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.968 -0.047 -4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.394 2.233 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.009 0.486 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.687 3.700 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.305 1.955 -1.607 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.255 3.557 -0.088 1.00 0.00 H new ATOM 954 N HIS A 64 -0.122 -2.709 -4.098 1.00 0.00 N ATOM 955 CA HIS A 64 0.688 -3.503 -5.015 1.00 0.00 C ATOM 956 C HIS A 64 1.134 -2.666 -6.210 1.00 0.00 C ATOM 957 O HIS A 64 0.432 -1.761 -6.662 1.00 0.00 O ATOM 958 CB HIS A 64 -0.097 -4.723 -5.497 1.00 0.00 C ATOM 959 CG HIS A 64 -0.733 -5.503 -4.387 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.939 -5.154 -3.816 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.324 -6.621 -3.743 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.243 -6.022 -2.869 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.280 -6.923 -2.804 1.00 0.00 N ATOM 0 H HIS A 64 -1.027 -3.120 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 64 1.575 -3.840 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.872 -4.396 -6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.572 -5.379 -6.054 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.507 -4.350 -4.084 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.585 -7.173 -3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.129 -5.999 -2.252 1.00 0.00 H new ATOM 971 N PRO A 65 2.330 -2.974 -6.735 1.00 0.00 N ATOM 972 CA PRO A 65 2.896 -2.262 -7.884 1.00 0.00 C ATOM 973 C PRO A 65 1.894 -2.110 -9.024 1.00 0.00 C ATOM 974 O PRO A 65 1.883 -1.098 -9.724 1.00 0.00 O ATOM 975 CB PRO A 65 4.064 -3.153 -8.314 1.00 0.00 C ATOM 976 CG PRO A 65 4.458 -3.884 -7.076 1.00 0.00 C ATOM 977 CD PRO A 65 3.220 -4.040 -6.247 1.00 0.00 C ATOM 0 HA PRO A 65 3.190 -1.244 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.766 -3.843 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.891 -2.560 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.883 -4.857 -7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.222 -3.332 -6.529 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.773 -5.025 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.434 -3.926 -5.184 1.00 0.00 H new ATOM 985 N GLY A 66 1.053 -3.124 -9.205 1.00 0.00 N ATOM 986 CA GLY A 66 0.058 -3.083 -10.261 1.00 0.00 C ATOM 987 C GLY A 66 -1.074 -2.124 -9.954 1.00 0.00 C ATOM 988 O GLY A 66 -1.659 -1.531 -10.861 1.00 0.00 O ATOM 0 H GLY A 66 1.043 -3.973 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.536 -2.789 -11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.348 -4.083 -10.412 1.00 0.00 H new ATOM 992 N CYS A 67 -1.388 -1.972 -8.672 1.00 0.00 N ATOM 993 CA CYS A 67 -2.459 -1.079 -8.246 1.00 0.00 C ATOM 994 C CYS A 67 -1.992 0.373 -8.251 1.00 0.00 C ATOM 995 O CYS A 67 -2.769 1.285 -8.535 1.00 0.00 O ATOM 996 CB CYS A 67 -2.947 -1.465 -6.848 1.00 0.00 C ATOM 997 SG CYS A 67 -3.332 -3.235 -6.657 1.00 0.00 S ATOM 0 H CYS A 67 -0.915 -2.456 -7.909 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.283 -1.179 -8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.184 -1.189 -6.120 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.838 -0.883 -6.612 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.154 -3.396 -5.662 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.718 0.580 -7.936 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.147 1.922 -7.904 1.00 0.00 C ATOM 1004 C PHE A 68 -0.256 2.593 -9.270 1.00 0.00 C ATOM 1005 O PHE A 68 -0.505 3.795 -9.365 1.00 0.00 O ATOM 1006 CB PHE A 68 1.319 1.864 -7.467 1.00 0.00 C ATOM 1007 CG PHE A 68 1.860 3.189 -7.010 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.310 3.836 -5.915 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.919 3.786 -7.675 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.806 5.055 -5.494 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.420 5.005 -7.257 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.863 5.640 -6.164 1.00 0.00 C ATOM 0 H PHE A 68 -0.061 -0.164 -7.699 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.712 2.513 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.421 1.140 -6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.924 1.500 -8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.485 3.383 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.358 3.293 -8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.367 5.551 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.246 5.460 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.253 6.592 -5.834 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.068 1.807 -10.325 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.146 2.323 -11.686 1.00 0.00 C ATOM 1024 C VAL A 69 -1.583 2.667 -12.063 1.00 0.00 C ATOM 1025 O VAL A 69 -1.883 3.797 -12.447 1.00 0.00 O ATOM 1026 CB VAL A 69 0.412 1.310 -12.704 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.362 1.885 -14.111 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.831 0.909 -12.332 1.00 0.00 C ATOM 0 H VAL A 69 0.139 0.810 -10.263 1.00 0.00 H new ATOM 0 HA VAL A 69 0.461 3.228 -11.716 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.211 0.416 -12.681 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.760 1.156 -14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.670 2.117 -14.373 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.960 2.795 -14.154 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.210 0.193 -13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.469 1.793 -12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.833 0.453 -11.342 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.469 1.684 -11.949 1.00 0.00 N ATOM 1039 CA LYS A 70 -3.877 1.880 -12.275 1.00 0.00 C ATOM 1040 C LYS A 70 -4.452 3.066 -11.508 1.00 0.00 C ATOM 1041 O LYS A 70 -5.160 3.899 -12.073 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.677 0.616 -11.956 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.589 -0.449 -13.036 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.218 -1.756 -12.583 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.645 -2.609 -13.768 1.00 0.00 C ATOM 1046 NZ LYS A 70 -6.052 -3.978 -13.348 1.00 0.00 N ATOM 0 H LYS A 70 -2.237 0.742 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.952 2.089 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.319 0.198 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.723 0.886 -11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.090 -0.096 -13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.544 -0.618 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.506 -2.311 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.083 -1.546 -11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.475 -2.125 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.823 -2.677 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.336 -4.528 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.252 -4.449 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.853 -3.915 -12.687 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.143 3.137 -10.217 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.629 4.222 -9.373 1.00 0.00 C ATOM 1062 C ASN A 71 -3.560 5.295 -9.197 1.00 0.00 C ATOM 1063 O ASN A 71 -3.466 5.926 -8.144 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.055 3.681 -8.006 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.342 2.882 -8.075 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.403 3.420 -8.394 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -6.254 1.591 -7.776 1.00 0.00 N ATOM 0 H ASN A 71 -3.558 2.456 -9.733 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.492 4.672 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.261 3.052 -7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.184 4.513 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.087 1.003 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.354 1.188 -7.517 1.00 0.00 H new ATOM 1074 N ARG A 72 -2.756 5.498 -10.235 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.693 6.495 -10.196 1.00 0.00 C ATOM 1076 C ARG A 72 -2.271 7.907 -10.208 1.00 0.00 C ATOM 1077 O ARG A 72 -1.672 8.837 -9.668 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.747 6.309 -11.384 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.307 6.832 -12.696 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.205 7.076 -13.715 1.00 0.00 C ATOM 1081 NE ARG A 72 0.499 8.332 -13.470 1.00 0.00 N ATOM 1082 CZ ARG A 72 1.221 8.962 -14.390 1.00 0.00 C ATOM 1083 NH1 ARG A 72 1.333 8.456 -15.610 1.00 0.00 N ATOM 1084 NH2 ARG A 72 1.832 10.101 -14.090 1.00 0.00 N ATOM 0 H ARG A 72 -2.820 4.985 -11.114 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.134 6.358 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.193 6.818 -11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.519 5.249 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.024 6.116 -13.098 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.850 7.760 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.506 6.250 -13.685 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.634 7.091 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 72 0.433 8.748 -12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.864 7.581 -15.844 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.888 8.942 -16.315 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.748 10.493 -13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.386 10.584 -14.797 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.437 8.058 -10.827 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.095 9.357 -10.909 1.00 0.00 C ATOM 1100 C GLU A 73 -4.969 9.603 -9.684 1.00 0.00 C ATOM 1101 O GLU A 73 -4.879 10.651 -9.045 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.942 9.445 -12.180 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.125 9.652 -13.444 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.989 9.930 -14.659 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.097 9.361 -14.741 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -4.557 10.717 -15.527 1.00 0.00 O ATOM 0 H GLU A 73 -3.945 7.298 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.322 10.125 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.526 8.530 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.651 10.266 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.436 10.484 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.519 8.765 -13.629 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.816 8.630 -9.362 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.707 8.741 -8.214 1.00 0.00 C ATOM 1115 C GLU A 74 -5.921 9.046 -6.942 1.00 0.00 C ATOM 1116 O GLU A 74 -6.304 9.912 -6.155 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.508 7.450 -8.035 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.634 7.568 -7.021 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.478 6.311 -6.938 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -8.989 5.303 -6.386 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -10.628 6.335 -7.425 1.00 0.00 O ATOM 0 H GLU A 74 -5.903 7.756 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.396 9.565 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.926 7.156 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.832 6.653 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.213 7.784 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.271 8.412 -7.287 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.821 8.328 -6.748 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.980 8.520 -5.571 1.00 0.00 C ATOM 1130 C LEU A 75 -3.363 9.916 -5.565 1.00 0.00 C ATOM 1131 O LEU A 75 -3.141 10.502 -4.507 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.876 7.462 -5.531 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.293 6.075 -5.042 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.158 5.080 -5.226 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.724 6.131 -3.583 1.00 0.00 C ATOM 0 H LEU A 75 -4.490 7.608 -7.390 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.607 8.416 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.460 7.362 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.075 7.826 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.142 5.741 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.474 4.099 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.896 5.018 -6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.289 5.409 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.017 5.135 -3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.894 6.487 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.569 6.811 -3.479 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.091 10.442 -6.755 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.504 11.765 -6.864 1.00 0.00 C ATOM 1149 C GLY A 76 -1.041 11.721 -7.256 1.00 0.00 C ATOM 1150 O GLY A 76 -0.220 12.455 -6.704 1.00 0.00 O ATOM 0 H GLY A 76 -3.266 9.976 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.057 12.345 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.606 12.284 -5.911 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.711 10.855 -8.209 1.00 0.00 N ATOM 1155 CA PHE A 77 0.665 10.715 -8.672 1.00 0.00 C ATOM 1156 C PHE A 77 0.875 11.465 -9.985 1.00 0.00 C ATOM 1157 O PHE A 77 0.396 11.043 -11.037 1.00 0.00 O ATOM 1158 CB PHE A 77 1.016 9.237 -8.854 1.00 0.00 C ATOM 1159 CG PHE A 77 2.494 8.975 -8.909 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.304 9.267 -7.823 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.073 8.436 -10.046 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.664 9.027 -7.872 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.433 8.194 -10.101 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.229 8.489 -9.012 1.00 0.00 C ATOM 0 H PHE A 77 -1.378 10.240 -8.676 1.00 0.00 H new ATOM 0 HA PHE A 77 1.322 11.147 -7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.584 8.665 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.556 8.873 -9.773 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.868 9.687 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.455 8.202 -10.900 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.285 9.260 -7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.872 7.775 -10.994 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.292 8.299 -9.051 1.00 0.00 H new ATOM 1174 N ARG A 78 1.596 12.579 -9.913 1.00 0.00 N ATOM 1175 CA ARG A 78 1.869 13.389 -11.094 1.00 0.00 C ATOM 1176 C ARG A 78 2.948 12.743 -11.959 1.00 0.00 C ATOM 1177 O ARG A 78 3.733 11.915 -11.499 1.00 0.00 O ATOM 1178 CB ARG A 78 2.305 14.797 -10.684 1.00 0.00 C ATOM 1179 CG ARG A 78 1.144 15.736 -10.400 1.00 0.00 C ATOM 1180 CD ARG A 78 1.628 17.075 -9.866 1.00 0.00 C ATOM 1181 NE ARG A 78 0.570 18.082 -9.873 1.00 0.00 N ATOM 1182 CZ ARG A 78 -0.308 18.232 -8.888 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -0.254 17.445 -7.822 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -1.242 19.171 -8.967 1.00 0.00 N ATOM 0 H ARG A 78 2.001 12.941 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 78 0.951 13.456 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.932 14.729 -9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.920 15.223 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.570 15.893 -11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.471 15.276 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.000 16.947 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.465 17.425 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 78 0.502 18.704 -10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.463 16.722 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.930 17.562 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.286 19.779 -9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.916 19.285 -8.210 1.00 0.00 H new ATOM 1198 N PRO A 79 2.987 13.129 -13.243 1.00 0.00 N ATOM 1199 CA PRO A 79 3.964 12.599 -14.199 1.00 0.00 C ATOM 1200 C PRO A 79 5.380 13.084 -13.908 1.00 0.00 C ATOM 1201 O PRO A 79 6.355 12.494 -14.374 1.00 0.00 O ATOM 1202 CB PRO A 79 3.477 13.147 -15.543 1.00 0.00 C ATOM 1203 CG PRO A 79 2.716 14.379 -15.197 1.00 0.00 C ATOM 1204 CD PRO A 79 2.081 14.112 -13.860 1.00 0.00 C ATOM 0 HA PRO A 79 4.023 11.511 -14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.313 13.371 -16.205 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.846 12.424 -16.060 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.376 15.245 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.960 14.596 -15.952 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.006 15.020 -13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.071 13.716 -13.967 1.00 0.00 H new ATOM 1212 N GLU A 80 5.486 14.160 -13.135 1.00 0.00 N ATOM 1213 CA GLU A 80 6.785 14.722 -12.783 1.00 0.00 C ATOM 1214 C GLU A 80 7.587 13.744 -11.929 1.00 0.00 C ATOM 1215 O GLU A 80 8.804 13.877 -11.792 1.00 0.00 O ATOM 1216 CB GLU A 80 6.607 16.044 -12.033 1.00 0.00 C ATOM 1217 CG GLU A 80 5.795 15.914 -10.755 1.00 0.00 C ATOM 1218 CD GLU A 80 5.631 17.236 -10.031 1.00 0.00 C ATOM 1219 OE1 GLU A 80 6.553 18.076 -10.112 1.00 0.00 O ATOM 1220 OE2 GLU A 80 4.582 17.432 -9.383 1.00 0.00 O ATOM 0 H GLU A 80 4.689 14.660 -12.741 1.00 0.00 H new ATOM 0 HA GLU A 80 7.335 14.907 -13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.589 16.449 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.120 16.763 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.811 15.510 -10.994 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.281 15.199 -10.092 1.00 0.00 H new ATOM 1227 N TYR A 81 6.898 12.764 -11.357 1.00 0.00 N ATOM 1228 CA TYR A 81 7.545 11.765 -10.514 1.00 0.00 C ATOM 1229 C TYR A 81 7.565 10.403 -11.200 1.00 0.00 C ATOM 1230 O TYR A 81 6.537 9.918 -11.673 1.00 0.00 O ATOM 1231 CB TYR A 81 6.826 11.660 -9.168 1.00 0.00 C ATOM 1232 CG TYR A 81 6.483 13.001 -8.559 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.443 13.998 -8.441 1.00 0.00 C ATOM 1234 CD2 TYR A 81 5.200 13.270 -8.100 1.00 0.00 C ATOM 1235 CE1 TYR A 81 7.135 15.224 -7.884 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.882 14.493 -7.543 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.853 15.467 -7.437 1.00 0.00 C ATOM 1238 OH TYR A 81 5.541 16.687 -6.882 1.00 0.00 O ATOM 0 H TYR A 81 5.891 12.639 -11.461 1.00 0.00 H new ATOM 0 HA TYR A 81 8.574 12.081 -10.345 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.910 11.085 -9.299 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.455 11.104 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.448 13.811 -8.791 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.438 12.509 -8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.894 15.988 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.879 14.686 -7.192 1.00 0.00 H new ATOM 0 HH TYR A 81 5.081 17.241 -7.547 1.00 0.00 H new ATOM 1248 N SER A 82 8.744 9.790 -11.250 1.00 0.00 N ATOM 1249 CA SER A 82 8.900 8.485 -11.881 1.00 0.00 C ATOM 1250 C SER A 82 9.153 7.403 -10.836 1.00 0.00 C ATOM 1251 O SER A 82 9.112 7.664 -9.634 1.00 0.00 O ATOM 1252 CB SER A 82 10.052 8.516 -12.888 1.00 0.00 C ATOM 1253 OG SER A 82 10.162 7.281 -13.575 1.00 0.00 O ATOM 0 H SER A 82 9.604 10.176 -10.861 1.00 0.00 H new ATOM 0 HA SER A 82 7.974 8.250 -12.406 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.891 9.321 -13.605 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.986 8.732 -12.370 1.00 0.00 H new ATOM 0 HG SER A 82 10.904 7.327 -14.214 1.00 0.00 H new ATOM 1259 N ALA A 83 9.413 6.186 -11.303 1.00 0.00 N ATOM 1260 CA ALA A 83 9.675 5.064 -10.410 1.00 0.00 C ATOM 1261 C ALA A 83 11.048 5.189 -9.759 1.00 0.00 C ATOM 1262 O ALA A 83 11.222 4.859 -8.586 1.00 0.00 O ATOM 1263 CB ALA A 83 9.565 3.750 -11.168 1.00 0.00 C ATOM 0 H ALA A 83 9.448 5.952 -12.295 1.00 0.00 H new ATOM 0 HA ALA A 83 8.925 5.078 -9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.763 2.921 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.561 3.650 -11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.292 3.736 -11.980 1.00 0.00 H new ATOM 1269 N SER A 84 12.021 5.667 -10.529 1.00 0.00 N ATOM 1270 CA SER A 84 13.381 5.831 -10.028 1.00 0.00 C ATOM 1271 C SER A 84 13.421 6.841 -8.886 1.00 0.00 C ATOM 1272 O SER A 84 14.446 7.006 -8.226 1.00 0.00 O ATOM 1273 CB SER A 84 14.311 6.281 -11.156 1.00 0.00 C ATOM 1274 OG SER A 84 15.671 6.145 -10.780 1.00 0.00 O ATOM 0 H SER A 84 11.893 5.947 -11.501 1.00 0.00 H new ATOM 0 HA SER A 84 13.721 4.867 -9.649 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.117 5.689 -12.050 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.103 7.320 -11.411 1.00 0.00 H new ATOM 0 HG SER A 84 15.792 6.477 -9.866 1.00 0.00 H new ATOM 1280 N GLN A 85 12.298 7.515 -8.660 1.00 0.00 N ATOM 1281 CA GLN A 85 12.205 8.510 -7.599 1.00 0.00 C ATOM 1282 C GLN A 85 11.502 7.935 -6.374 1.00 0.00 C ATOM 1283 O GLN A 85 11.125 8.669 -5.459 1.00 0.00 O ATOM 1284 CB GLN A 85 11.457 9.748 -8.096 1.00 0.00 C ATOM 1285 CG GLN A 85 12.193 10.506 -9.189 1.00 0.00 C ATOM 1286 CD GLN A 85 11.511 11.808 -9.558 1.00 0.00 C ATOM 1287 OE1 GLN A 85 11.130 12.018 -10.710 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.352 12.692 -8.580 1.00 0.00 N ATOM 0 H GLN A 85 11.440 7.390 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 85 13.217 8.796 -7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.479 9.445 -8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.282 10.419 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.211 10.714 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.268 9.876 -10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.683 12.477 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.899 13.586 -8.769 1.00 0.00 H new ATOM 1297 N LEU A 86 11.328 6.618 -6.361 1.00 0.00 N ATOM 1298 CA LEU A 86 10.670 5.943 -5.248 1.00 0.00 C ATOM 1299 C LEU A 86 11.690 5.475 -4.215 1.00 0.00 C ATOM 1300 O LEU A 86 12.530 4.621 -4.499 1.00 0.00 O ATOM 1301 CB LEU A 86 9.857 4.751 -5.757 1.00 0.00 C ATOM 1302 CG LEU A 86 8.689 5.082 -6.686 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.161 3.820 -7.350 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.580 5.787 -5.918 1.00 0.00 C ATOM 0 H LEU A 86 11.634 5.996 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 86 9.997 6.655 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.532 4.074 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.467 4.208 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 86 9.048 5.754 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.330 4.075 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.956 3.356 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.818 3.123 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.757 6.015 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.223 5.139 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.965 6.713 -5.490 1.00 0.00 H new ATOM 1316 N LYS A 87 11.609 6.038 -3.014 1.00 0.00 N ATOM 1317 CA LYS A 87 12.522 5.676 -1.937 1.00 0.00 C ATOM 1318 C LYS A 87 12.696 4.163 -1.855 1.00 0.00 C ATOM 1319 O LYS A 87 11.773 3.442 -1.477 1.00 0.00 O ATOM 1320 CB LYS A 87 12.005 6.213 -0.600 1.00 0.00 C ATOM 1321 CG LYS A 87 13.087 6.362 0.455 1.00 0.00 C ATOM 1322 CD LYS A 87 12.501 6.740 1.805 1.00 0.00 C ATOM 1323 CE LYS A 87 12.253 8.237 1.906 1.00 0.00 C ATOM 1324 NZ LYS A 87 11.376 8.578 3.059 1.00 0.00 N ATOM 0 H LYS A 87 10.920 6.747 -2.762 1.00 0.00 H new ATOM 0 HA LYS A 87 13.492 6.124 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.534 7.182 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.232 5.543 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.639 5.427 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.800 7.124 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.565 6.204 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.181 6.429 2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.206 8.757 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.794 8.592 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.231 9.607 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.457 8.103 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.825 8.262 3.942 1.00 0.00 H new ATOM 1338 N GLY A 88 13.886 3.688 -2.212 1.00 0.00 N ATOM 1339 CA GLY A 88 14.158 2.263 -2.170 1.00 0.00 C ATOM 1340 C GLY A 88 14.485 1.695 -3.537 1.00 0.00 C ATOM 1341 O GLY A 88 15.339 0.818 -3.665 1.00 0.00 O ATOM 0 H GLY A 88 14.666 4.264 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.991 2.075 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.292 1.743 -1.761 1.00 0.00 H new ATOM 1345 N PHE A 89 13.802 2.194 -4.562 1.00 0.00 N ATOM 1346 CA PHE A 89 14.022 1.729 -5.927 1.00 0.00 C ATOM 1347 C PHE A 89 15.494 1.404 -6.160 1.00 0.00 C ATOM 1348 O PHE A 89 15.846 0.273 -6.496 1.00 0.00 O ATOM 1349 CB PHE A 89 13.556 2.786 -6.930 1.00 0.00 C ATOM 1350 CG PHE A 89 13.783 2.395 -8.362 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.902 1.542 -9.009 1.00 0.00 C ATOM 1352 CD2 PHE A 89 14.876 2.880 -9.062 1.00 0.00 C ATOM 1353 CE1 PHE A 89 13.109 1.180 -10.326 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.087 2.521 -10.380 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.202 1.671 -11.013 1.00 0.00 C ATOM 0 H PHE A 89 13.091 2.920 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 89 13.440 0.819 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.494 2.976 -6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.079 3.721 -6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.045 1.156 -8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.571 3.546 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.416 0.513 -10.818 1.00 0.00 H new ATOM 0 HE2 PHE A 89 15.943 2.905 -10.914 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.364 1.391 -12.043 1.00 0.00 H new ATOM 1365 N SER A 90 16.351 2.405 -5.979 1.00 0.00 N ATOM 1366 CA SER A 90 17.785 2.228 -6.174 1.00 0.00 C ATOM 1367 C SER A 90 18.280 0.975 -5.457 1.00 0.00 C ATOM 1368 O SER A 90 19.074 0.207 -6.001 1.00 0.00 O ATOM 1369 CB SER A 90 18.545 3.454 -5.665 1.00 0.00 C ATOM 1370 OG SER A 90 19.935 3.330 -5.909 1.00 0.00 O ATOM 0 H SER A 90 16.077 3.346 -5.698 1.00 0.00 H new ATOM 0 HA SER A 90 17.970 2.112 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.165 4.350 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.370 3.576 -4.596 1.00 0.00 H new ATOM 0 HG SER A 90 20.398 4.127 -5.576 1.00 0.00 H new ATOM 1376 N LEU A 91 17.806 0.776 -4.232 1.00 0.00 N ATOM 1377 CA LEU A 91 18.199 -0.383 -3.438 1.00 0.00 C ATOM 1378 C LEU A 91 17.718 -1.676 -4.088 1.00 0.00 C ATOM 1379 O LEU A 91 18.455 -2.661 -4.155 1.00 0.00 O ATOM 1380 CB LEU A 91 17.634 -0.270 -2.021 1.00 0.00 C ATOM 1381 CG LEU A 91 18.029 0.983 -1.239 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.380 0.980 0.137 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.542 1.081 -1.116 1.00 0.00 C ATOM 0 H LEU A 91 17.149 1.402 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 91 19.288 -0.406 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.546 -0.309 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.953 -1.144 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 91 17.672 1.856 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.672 1.879 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.296 0.959 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.706 0.100 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.804 1.979 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.922 0.204 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.985 1.131 -2.110 1.00 0.00 H new ATOM 1395 N LEU A 92 16.479 -1.666 -4.567 1.00 0.00 N ATOM 1396 CA LEU A 92 15.900 -2.839 -5.215 1.00 0.00 C ATOM 1397 C LEU A 92 16.865 -3.427 -6.239 1.00 0.00 C ATOM 1398 O LEU A 92 17.863 -2.802 -6.598 1.00 0.00 O ATOM 1399 CB LEU A 92 14.580 -2.470 -5.894 1.00 0.00 C ATOM 1400 CG LEU A 92 13.529 -1.807 -5.002 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.353 -1.321 -5.835 1.00 0.00 C ATOM 1402 CD2 LEU A 92 13.058 -2.772 -3.924 1.00 0.00 C ATOM 0 H LEU A 92 15.856 -0.860 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 92 15.710 -3.591 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.797 -1.800 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.148 -3.376 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 92 13.985 -0.945 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.615 -0.852 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.703 -0.595 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.897 -2.167 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.311 -2.283 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.620 -3.654 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.906 -3.072 -3.308 1.00 0.00 H new ATOM 1414 N ALA A 93 16.559 -4.632 -6.708 1.00 0.00 N ATOM 1415 CA ALA A 93 17.397 -5.303 -7.695 1.00 0.00 C ATOM 1416 C ALA A 93 17.045 -4.855 -9.109 1.00 0.00 C ATOM 1417 O ALA A 93 15.874 -4.665 -9.439 1.00 0.00 O ATOM 1418 CB ALA A 93 17.256 -6.813 -7.568 1.00 0.00 C ATOM 0 H ALA A 93 15.737 -5.164 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 93 18.434 -5.028 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.887 -7.301 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.563 -7.124 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.216 -7.096 -7.732 1.00 0.00 H new ATOM 1424 N THR A 94 18.067 -4.686 -9.943 1.00 0.00 N ATOM 1425 CA THR A 94 17.866 -4.258 -11.322 1.00 0.00 C ATOM 1426 C THR A 94 16.639 -4.926 -11.932 1.00 0.00 C ATOM 1427 O THR A 94 15.732 -4.252 -12.419 1.00 0.00 O ATOM 1428 CB THR A 94 19.096 -4.575 -12.193 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.250 -3.904 -11.675 1.00 0.00 O ATOM 1430 CG2 THR A 94 18.861 -4.150 -13.635 1.00 0.00 C ATOM 0 H THR A 94 19.042 -4.839 -9.687 1.00 0.00 H new ATOM 0 HA THR A 94 17.715 -3.179 -11.299 1.00 0.00 H new ATOM 0 HB THR A 94 19.262 -5.652 -12.170 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.028 -4.112 -12.234 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.743 -4.384 -14.231 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.000 -4.684 -14.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.672 -3.077 -13.672 1.00 0.00 H new ATOM 1438 N GLU A 95 16.618 -6.255 -11.901 1.00 0.00 N ATOM 1439 CA GLU A 95 15.501 -7.013 -12.451 1.00 0.00 C ATOM 1440 C GLU A 95 14.168 -6.387 -12.052 1.00 0.00 C ATOM 1441 O GLU A 95 13.352 -6.042 -12.906 1.00 0.00 O ATOM 1442 CB GLU A 95 15.557 -8.466 -11.974 1.00 0.00 C ATOM 1443 CG GLU A 95 16.465 -9.348 -12.815 1.00 0.00 C ATOM 1444 CD GLU A 95 16.175 -10.825 -12.632 1.00 0.00 C ATOM 1445 OE1 GLU A 95 16.553 -11.377 -11.578 1.00 0.00 O ATOM 1446 OE2 GLU A 95 15.572 -11.429 -13.543 1.00 0.00 O ATOM 0 H GLU A 95 17.361 -6.828 -11.501 1.00 0.00 H new ATOM 0 HA GLU A 95 15.582 -6.991 -13.538 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.900 -8.487 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.550 -8.882 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.348 -9.086 -13.867 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.504 -9.150 -12.551 1.00 0.00 H new ATOM 1453 N ASP A 96 13.956 -6.243 -10.749 1.00 0.00 N ATOM 1454 CA ASP A 96 12.723 -5.658 -10.235 1.00 0.00 C ATOM 1455 C ASP A 96 12.577 -4.210 -10.692 1.00 0.00 C ATOM 1456 O ASP A 96 11.500 -3.786 -11.112 1.00 0.00 O ATOM 1457 CB ASP A 96 12.698 -5.728 -8.707 1.00 0.00 C ATOM 1458 CG ASP A 96 12.593 -7.151 -8.195 1.00 0.00 C ATOM 1459 OD1 ASP A 96 11.747 -7.908 -8.715 1.00 0.00 O ATOM 1460 OD2 ASP A 96 13.357 -7.508 -7.273 1.00 0.00 O ATOM 0 H ASP A 96 14.622 -6.523 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 96 11.885 -6.232 -10.631 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.603 -5.268 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.855 -5.147 -8.333 1.00 0.00 H new ATOM 1465 N LYS A 97 13.667 -3.455 -10.607 1.00 0.00 N ATOM 1466 CA LYS A 97 13.662 -2.055 -11.012 1.00 0.00 C ATOM 1467 C LYS A 97 12.983 -1.883 -12.367 1.00 0.00 C ATOM 1468 O LYS A 97 11.942 -1.235 -12.471 1.00 0.00 O ATOM 1469 CB LYS A 97 15.093 -1.515 -11.074 1.00 0.00 C ATOM 1470 CG LYS A 97 15.764 -1.415 -9.715 1.00 0.00 C ATOM 1471 CD LYS A 97 16.945 -0.459 -9.746 1.00 0.00 C ATOM 1472 CE LYS A 97 17.882 -0.692 -8.570 1.00 0.00 C ATOM 1473 NZ LYS A 97 18.838 -1.803 -8.834 1.00 0.00 N ATOM 0 H LYS A 97 14.566 -3.790 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 97 13.099 -1.490 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.689 -2.162 -11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.081 -0.528 -11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.040 -1.076 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.102 -2.403 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.493 -0.586 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.583 0.569 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.437 0.223 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.297 -0.920 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.619 -2.605 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.756 -2.103 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.808 -1.477 -8.650 1.00 0.00 H new ATOM 1487 N GLU A 98 13.580 -2.467 -13.401 1.00 0.00 N ATOM 1488 CA GLU A 98 13.031 -2.378 -14.749 1.00 0.00 C ATOM 1489 C GLU A 98 11.540 -2.700 -14.752 1.00 0.00 C ATOM 1490 O GLU A 98 10.766 -2.105 -15.501 1.00 0.00 O ATOM 1491 CB GLU A 98 13.772 -3.331 -15.690 1.00 0.00 C ATOM 1492 CG GLU A 98 15.233 -2.969 -15.895 1.00 0.00 C ATOM 1493 CD GLU A 98 15.813 -3.580 -17.156 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.848 -4.825 -17.250 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.232 -2.814 -18.049 1.00 0.00 O ATOM 0 H GLU A 98 14.443 -3.006 -13.331 1.00 0.00 H new ATOM 0 HA GLU A 98 13.165 -1.355 -15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.710 -4.343 -15.291 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.269 -3.338 -16.657 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.332 -1.885 -15.942 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.811 -3.304 -15.034 1.00 0.00 H new ATOM 1502 N ALA A 99 11.144 -3.648 -13.909 1.00 0.00 N ATOM 1503 CA ALA A 99 9.746 -4.049 -13.812 1.00 0.00 C ATOM 1504 C ALA A 99 8.854 -2.857 -13.485 1.00 0.00 C ATOM 1505 O ALA A 99 7.722 -2.765 -13.962 1.00 0.00 O ATOM 1506 CB ALA A 99 9.580 -5.138 -12.763 1.00 0.00 C ATOM 0 H ALA A 99 11.772 -4.153 -13.283 1.00 0.00 H new ATOM 0 HA ALA A 99 9.440 -4.444 -14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.531 -5.427 -12.702 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.180 -6.005 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.910 -4.763 -11.794 1.00 0.00 H new ATOM 1512 N LEU A 100 9.369 -1.945 -12.668 1.00 0.00 N ATOM 1513 CA LEU A 100 8.619 -0.757 -12.275 1.00 0.00 C ATOM 1514 C LEU A 100 8.694 0.316 -13.356 1.00 0.00 C ATOM 1515 O LEU A 100 7.717 1.017 -13.621 1.00 0.00 O ATOM 1516 CB LEU A 100 9.154 -0.205 -10.953 1.00 0.00 C ATOM 1517 CG LEU A 100 8.720 -0.949 -9.690 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.394 -0.355 -8.463 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.207 -0.909 -9.541 1.00 0.00 C ATOM 0 H LEU A 100 10.304 -2.005 -12.264 1.00 0.00 H new ATOM 0 HA LEU A 100 7.575 -1.043 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.243 -0.207 -10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.841 0.835 -10.863 1.00 0.00 H new ATOM 0 HG LEU A 100 9.029 -1.990 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.073 -0.897 -7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.476 -0.436 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.117 0.695 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.916 -1.444 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.875 0.127 -9.473 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.744 -1.382 -10.407 1.00 0.00 H new ATOM 1531 N LYS A 101 9.861 0.439 -13.980 1.00 0.00 N ATOM 1532 CA LYS A 101 10.065 1.425 -15.035 1.00 0.00 C ATOM 1533 C LYS A 101 9.145 1.150 -16.221 1.00 0.00 C ATOM 1534 O LYS A 101 8.569 2.072 -16.800 1.00 0.00 O ATOM 1535 CB LYS A 101 11.524 1.414 -15.496 1.00 0.00 C ATOM 1536 CG LYS A 101 12.520 1.609 -14.366 1.00 0.00 C ATOM 1537 CD LYS A 101 13.910 1.922 -14.894 1.00 0.00 C ATOM 1538 CE LYS A 101 14.579 0.683 -15.471 1.00 0.00 C ATOM 1539 NZ LYS A 101 15.923 0.990 -16.033 1.00 0.00 N ATOM 0 H LYS A 101 10.680 -0.132 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 101 9.825 2.408 -14.631 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.732 0.467 -15.993 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.668 2.201 -16.236 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.184 2.420 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.557 0.708 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.844 2.692 -15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.524 2.327 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.675 -0.074 -14.692 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.947 0.259 -16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.346 0.121 -16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.829 1.693 -16.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.534 1.371 -15.283 1.00 0.00 H new ATOM 1553 N LYS A 102 9.009 -0.123 -16.577 1.00 0.00 N ATOM 1554 CA LYS A 102 8.157 -0.519 -17.691 1.00 0.00 C ATOM 1555 C LYS A 102 6.695 -0.195 -17.401 1.00 0.00 C ATOM 1556 O LYS A 102 5.896 -0.016 -18.319 1.00 0.00 O ATOM 1557 CB LYS A 102 8.312 -2.016 -17.971 1.00 0.00 C ATOM 1558 CG LYS A 102 7.655 -2.902 -16.928 1.00 0.00 C ATOM 1559 CD LYS A 102 7.175 -4.212 -17.530 1.00 0.00 C ATOM 1560 CE LYS A 102 8.339 -5.136 -17.852 1.00 0.00 C ATOM 1561 NZ LYS A 102 7.886 -6.532 -18.103 1.00 0.00 N ATOM 0 H LYS A 102 9.479 -0.898 -16.109 1.00 0.00 H new ATOM 0 HA LYS A 102 8.468 0.044 -18.571 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.884 -2.240 -18.948 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.373 -2.259 -18.025 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.364 -3.108 -16.126 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.812 -2.375 -16.481 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.498 -4.707 -16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.607 -4.010 -18.438 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.867 -4.762 -18.729 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.049 -5.128 -17.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.709 -7.130 -18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.404 -6.898 -17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.228 -6.544 -18.909 1.00 0.00 H new ATOM 1575 N GLN A 103 6.354 -0.120 -16.118 1.00 0.00 N ATOM 1576 CA GLN A 103 4.988 0.184 -15.708 1.00 0.00 C ATOM 1577 C GLN A 103 4.772 1.690 -15.608 1.00 0.00 C ATOM 1578 O GLN A 103 3.780 2.221 -16.110 1.00 0.00 O ATOM 1579 CB GLN A 103 4.677 -0.478 -14.365 1.00 0.00 C ATOM 1580 CG GLN A 103 4.201 -1.916 -14.491 1.00 0.00 C ATOM 1581 CD GLN A 103 3.244 -2.314 -13.385 1.00 0.00 C ATOM 1582 OE1 GLN A 103 1.948 -2.222 -13.661 1.00 0.00 O flip ATOM 1583 NE2 GLN A 103 3.664 -2.699 -12.294 1.00 0.00 N flip ATOM 0 H GLN A 103 7.004 -0.265 -15.346 1.00 0.00 H new ATOM 0 HA GLN A 103 4.312 -0.212 -16.465 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.571 -0.453 -13.742 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.913 0.105 -13.850 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.711 -2.049 -15.455 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.063 -2.582 -14.477 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.668 -2.754 -12.125 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.008 -2.963 -11.559 1.00 0.00 H new ATOM 1592 N LEU A 104 5.706 2.375 -14.957 1.00 0.00 N ATOM 1593 CA LEU A 104 5.618 3.821 -14.790 1.00 0.00 C ATOM 1594 C LEU A 104 6.693 4.530 -15.608 1.00 0.00 C ATOM 1595 O LEU A 104 7.776 4.844 -15.115 1.00 0.00 O ATOM 1596 CB LEU A 104 5.757 4.194 -13.313 1.00 0.00 C ATOM 1597 CG LEU A 104 4.704 3.609 -12.371 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.270 3.451 -10.969 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.461 4.487 -12.351 1.00 0.00 C ATOM 0 H LEU A 104 6.533 1.952 -14.536 1.00 0.00 H new ATOM 0 HA LEU A 104 4.641 4.144 -15.149 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.741 3.874 -12.969 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.727 5.280 -13.229 1.00 0.00 H new ATOM 0 HG LEU A 104 4.422 2.623 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.506 3.033 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.130 2.781 -10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.581 4.425 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.722 4.056 -11.676 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.727 5.487 -12.007 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.042 4.548 -13.356 1.00 0.00 H new ATOM 1611 N PRO A 105 6.387 4.791 -16.888 1.00 0.00 N ATOM 1612 CA PRO A 105 7.313 5.468 -17.801 1.00 0.00 C ATOM 1613 C PRO A 105 7.506 6.938 -17.445 1.00 0.00 C ATOM 1614 O PRO A 105 8.215 7.666 -18.138 1.00 0.00 O ATOM 1615 CB PRO A 105 6.629 5.333 -19.164 1.00 0.00 C ATOM 1616 CG PRO A 105 5.181 5.187 -18.848 1.00 0.00 C ATOM 1617 CD PRO A 105 5.114 4.445 -17.542 1.00 0.00 C ATOM 0 HA PRO A 105 8.312 5.033 -17.765 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.812 6.208 -19.787 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.004 4.468 -19.711 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.699 6.161 -18.768 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.663 4.639 -19.635 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.257 4.758 -16.945 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.020 3.370 -17.695 1.00 0.00 H new ATOM 1625 N GLY A 106 6.869 7.369 -16.360 1.00 0.00 N ATOM 1626 CA GLY A 106 6.984 8.750 -15.932 1.00 0.00 C ATOM 1627 C GLY A 106 6.084 9.679 -16.722 1.00 0.00 C ATOM 1628 O GLY A 106 4.859 9.603 -16.620 1.00 0.00 O ATOM 0 H GLY A 106 6.275 6.786 -15.770 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.734 8.821 -14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.019 9.075 -16.038 1.00 0.00 H new