USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 35 CYS SG : rot 170:sc= 0.0377 USER MOD Set 1.2: A 85 CYS SG : rot 129:sc= 1.36 USER MOD Set 2.1: A 48 LYS NZ :NH3+ -125:sc= -1.97 (180deg=-5.02!) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 57:sc= 0.622 USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.243 (180deg=-1.63!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0265 USER MOD Single : A 47 THR OG1 : rot -7:sc= 0.532 USER MOD Single : A 56 SER OG : rot 51:sc= 0.348 USER MOD Single : A 62 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.68) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.3!) USER MOD Single : A 80 SER OG : rot -51:sc= 1.04 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 110:sc= -1.15 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.585 -14.009 -4.077 1.00 0.00 N ATOM 131 CA TRP A 13 11.473 -12.674 -4.654 1.00 0.00 C ATOM 132 C TRP A 13 11.251 -11.629 -3.566 1.00 0.00 C ATOM 133 O TRP A 13 12.025 -10.680 -3.438 1.00 0.00 O ATOM 134 CB TRP A 13 10.327 -12.628 -5.665 1.00 0.00 C ATOM 135 CG TRP A 13 10.703 -13.160 -7.015 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.148 -14.230 -7.658 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.718 -12.649 -7.885 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.757 -14.414 -8.875 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.723 -13.457 -9.039 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.622 -11.587 -7.803 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.598 -13.234 -10.099 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.490 -11.367 -8.856 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.472 -12.187 -9.992 1.00 0.00 C ATOM 0 HA TRP A 13 12.408 -12.446 -5.166 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.487 -13.204 -5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.986 -11.598 -5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.348 -14.841 -7.267 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.527 -15.145 -9.548 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.642 -10.949 -6.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.587 -13.866 -10.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.194 -10.550 -8.802 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.162 -11.989 -10.799 1.00 0.00 H new ATOM 154 N ILE A 14 10.190 -11.809 -2.787 1.00 0.00 N ATOM 155 CA ILE A 14 9.868 -10.881 -1.710 1.00 0.00 C ATOM 156 C ILE A 14 10.810 -11.066 -0.525 1.00 0.00 C ATOM 157 O ILE A 14 10.540 -11.856 0.380 1.00 0.00 O ATOM 158 CB ILE A 14 8.416 -11.058 -1.229 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.452 -11.002 -2.417 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.063 -9.991 -0.203 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.183 -11.797 -2.203 1.00 0.00 C ATOM 0 H ILE A 14 9.539 -12.589 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 14 9.988 -9.876 -2.114 1.00 0.00 H new ATOM 0 HB ILE A 14 8.323 -12.035 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.191 -9.962 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.961 -11.377 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.033 -10.130 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.733 -10.074 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.170 -9.004 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.547 -11.712 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.434 -12.845 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.652 -11.408 -1.334 1.00 0.00 H new ATOM 173 N VAL A 15 11.917 -10.330 -0.535 1.00 0.00 N ATOM 174 CA VAL A 15 12.898 -10.410 0.541 1.00 0.00 C ATOM 175 C VAL A 15 12.340 -9.836 1.838 1.00 0.00 C ATOM 176 O VAL A 15 12.822 -10.150 2.926 1.00 0.00 O ATOM 177 CB VAL A 15 14.193 -9.660 0.176 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.937 -8.163 0.088 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.287 -9.964 1.188 1.00 0.00 C ATOM 0 H VAL A 15 12.157 -9.672 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 15 13.126 -11.466 0.683 1.00 0.00 H new ATOM 0 HB VAL A 15 14.529 -10.004 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.863 -7.650 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.187 -7.967 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.577 -7.798 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.195 -9.426 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.963 -9.649 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.488 -11.035 1.195 1.00 0.00 H new ATOM 189 N TYR A 16 11.320 -8.994 1.715 1.00 0.00 N ATOM 190 CA TYR A 16 10.697 -8.374 2.878 1.00 0.00 C ATOM 191 C TYR A 16 9.468 -7.566 2.472 1.00 0.00 C ATOM 192 O TYR A 16 9.420 -6.955 1.405 1.00 0.00 O ATOM 193 CB TYR A 16 11.698 -7.471 3.600 1.00 0.00 C ATOM 194 CG TYR A 16 11.054 -6.503 4.567 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.315 -5.420 4.107 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.185 -6.672 5.940 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.725 -4.533 4.987 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.598 -5.790 6.827 1.00 0.00 C ATOM 199 CZ TYR A 16 9.869 -4.723 6.346 1.00 0.00 C ATOM 200 OH TYR A 16 9.284 -3.842 7.226 1.00 0.00 O ATOM 0 H TYR A 16 10.907 -8.725 0.822 1.00 0.00 H new ATOM 0 HA TYR A 16 10.381 -9.168 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.410 -8.093 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.266 -6.908 2.860 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.200 -5.269 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.755 -7.507 6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.154 -3.696 4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.710 -5.936 7.891 1.00 0.00 H new ATOM 0 HH TYR A 16 9.480 -4.119 8.145 1.00 0.00 H new ATOM 210 N PRO A 17 8.448 -7.563 3.344 1.00 0.00 N ATOM 211 CA PRO A 17 8.494 -8.288 4.617 1.00 0.00 C ATOM 212 C PRO A 17 8.453 -9.800 4.425 1.00 0.00 C ATOM 213 O PRO A 17 8.098 -10.290 3.353 1.00 0.00 O ATOM 214 CB PRO A 17 7.235 -7.807 5.344 1.00 0.00 C ATOM 215 CG PRO A 17 6.305 -7.392 4.257 1.00 0.00 C ATOM 216 CD PRO A 17 7.173 -6.852 3.154 1.00 0.00 C ATOM 0 HA PRO A 17 9.418 -8.096 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.802 -8.600 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.458 -6.976 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.711 -8.237 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.606 -6.634 4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.745 -7.051 2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.299 -5.772 3.234 1.00 0.00 H new ATOM 224 N SER A 18 8.818 -10.535 5.471 1.00 0.00 N ATOM 225 CA SER A 18 8.826 -11.992 5.416 1.00 0.00 C ATOM 226 C SER A 18 7.711 -12.575 6.279 1.00 0.00 C ATOM 227 O SER A 18 7.969 -13.233 7.286 1.00 0.00 O ATOM 228 CB SER A 18 10.180 -12.533 5.879 1.00 0.00 C ATOM 229 OG SER A 18 10.433 -12.188 7.230 1.00 0.00 O ATOM 0 H SER A 18 9.112 -10.145 6.367 1.00 0.00 H new ATOM 0 HA SER A 18 8.656 -12.293 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.199 -13.617 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.971 -12.133 5.244 1.00 0.00 H new ATOM 0 HG SER A 18 9.705 -12.523 7.795 1.00 0.00 H new ATOM 235 N GLY A 19 6.468 -12.327 5.876 1.00 0.00 N ATOM 236 CA GLY A 19 5.331 -12.833 6.623 1.00 0.00 C ATOM 237 C GLY A 19 4.168 -11.862 6.637 1.00 0.00 C ATOM 238 O GLY A 19 4.290 -10.727 6.174 1.00 0.00 O ATOM 0 H GLY A 19 6.228 -11.785 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.006 -13.778 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.638 -13.043 7.648 1.00 0.00 H new ATOM 242 N LYS A 20 3.034 -12.306 7.168 1.00 0.00 N ATOM 243 CA LYS A 20 1.842 -11.469 7.241 1.00 0.00 C ATOM 244 C LYS A 20 2.167 -10.114 7.860 1.00 0.00 C ATOM 245 O LYS A 20 2.786 -10.037 8.921 1.00 0.00 O ATOM 246 CB LYS A 20 0.753 -12.168 8.057 1.00 0.00 C ATOM 247 CG LYS A 20 -0.656 -11.870 7.572 1.00 0.00 C ATOM 248 CD LYS A 20 -0.961 -12.590 6.269 1.00 0.00 C ATOM 249 CE LYS A 20 -1.361 -14.037 6.513 1.00 0.00 C ATOM 250 NZ LYS A 20 -0.187 -14.952 6.475 1.00 0.00 N ATOM 0 H LYS A 20 2.915 -13.242 7.555 1.00 0.00 H new ATOM 0 HA LYS A 20 1.478 -11.307 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.920 -13.245 8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.841 -11.864 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.375 -12.173 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.774 -10.796 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.765 -12.072 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.086 -12.558 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.854 -14.119 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.086 -14.345 5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.443 -15.824 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.601 -14.485 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.102 -15.187 7.446 1.00 0.00 H new ATOM 264 N VAL A 21 1.743 -9.046 7.192 1.00 0.00 N ATOM 265 CA VAL A 21 1.986 -7.693 7.678 1.00 0.00 C ATOM 266 C VAL A 21 0.687 -7.023 8.111 1.00 0.00 C ATOM 267 O VAL A 21 -0.346 -7.165 7.455 1.00 0.00 O ATOM 268 CB VAL A 21 2.665 -6.824 6.603 1.00 0.00 C ATOM 269 CG1 VAL A 21 2.846 -5.399 7.104 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.001 -7.428 6.196 1.00 0.00 C ATOM 0 H VAL A 21 1.229 -9.092 6.312 1.00 0.00 H new ATOM 0 HA VAL A 21 2.651 -7.780 8.537 1.00 0.00 H new ATOM 0 HB VAL A 21 2.021 -6.796 5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.327 -4.800 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.872 -4.970 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.468 -5.404 7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.467 -6.801 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.654 -7.488 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.841 -8.428 5.793 1.00 0.00 H new ATOM 280 N TYR A 22 0.745 -6.293 9.219 1.00 0.00 N ATOM 281 CA TYR A 22 -0.428 -5.602 9.742 1.00 0.00 C ATOM 282 C TYR A 22 -0.175 -4.100 9.842 1.00 0.00 C ATOM 283 O TYR A 22 0.870 -3.666 10.326 1.00 0.00 O ATOM 284 CB TYR A 22 -0.805 -6.160 11.115 1.00 0.00 C ATOM 285 CG TYR A 22 -1.491 -7.506 11.053 1.00 0.00 C ATOM 286 CD1 TYR A 22 -0.832 -8.622 10.552 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.799 -7.662 11.498 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.456 -9.853 10.493 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.429 -8.890 11.444 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.754 -9.982 10.941 1.00 0.00 C ATOM 291 OH TYR A 22 -3.378 -11.207 10.885 1.00 0.00 O ATOM 0 H TYR A 22 1.592 -6.164 9.773 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.255 -5.768 9.051 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.096 -6.248 11.722 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.461 -5.450 11.619 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.185 -8.525 10.203 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.331 -6.809 11.892 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.930 -10.710 10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.445 -8.994 11.794 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.288 -11.127 11.240 1.00 0.00 H new ATOM 301 N VAL A 23 -1.142 -3.312 9.382 1.00 0.00 N ATOM 302 CA VAL A 23 -1.027 -1.859 9.421 1.00 0.00 C ATOM 303 C VAL A 23 -2.382 -1.208 9.673 1.00 0.00 C ATOM 304 O VAL A 23 -3.404 -1.658 9.157 1.00 0.00 O ATOM 305 CB VAL A 23 -0.440 -1.307 8.109 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.151 0.181 8.238 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.818 -2.072 7.725 1.00 0.00 C ATOM 0 H VAL A 23 -2.013 -3.656 8.978 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.352 -1.616 10.242 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.176 -1.442 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.263 0.554 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.075 0.713 8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.566 0.344 9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.220 -1.669 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.561 -1.970 8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.576 -3.126 7.588 1.00 0.00 H new ATOM 317 N ALA A 24 -2.382 -0.143 10.469 1.00 0.00 N ATOM 318 CA ALA A 24 -3.612 0.573 10.787 1.00 0.00 C ATOM 319 C ALA A 24 -3.596 1.979 10.197 1.00 0.00 C ATOM 320 O ALA A 24 -2.560 2.641 10.175 1.00 0.00 O ATOM 321 CB ALA A 24 -3.813 0.633 12.294 1.00 0.00 C ATOM 0 H ALA A 24 -1.544 0.243 10.905 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.446 0.030 10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.735 1.170 12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.877 -0.379 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.971 1.151 12.753 1.00 0.00 H new ATOM 327 N ALA A 25 -4.752 2.427 9.719 1.00 0.00 N ATOM 328 CA ALA A 25 -4.872 3.755 9.130 1.00 0.00 C ATOM 329 C ALA A 25 -6.220 4.384 9.462 1.00 0.00 C ATOM 330 O ALA A 25 -7.069 3.758 10.097 1.00 0.00 O ATOM 331 CB ALA A 25 -4.678 3.683 7.622 1.00 0.00 C ATOM 0 H ALA A 25 -5.619 1.890 9.728 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.092 4.386 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.770 4.682 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.688 3.284 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.437 3.032 7.188 1.00 0.00 H new ATOM 337 N VAL A 26 -6.412 5.627 9.029 1.00 0.00 N ATOM 338 CA VAL A 26 -7.658 6.340 9.281 1.00 0.00 C ATOM 339 C VAL A 26 -8.172 7.012 8.012 1.00 0.00 C ATOM 340 O VAL A 26 -7.418 7.228 7.063 1.00 0.00 O ATOM 341 CB VAL A 26 -7.482 7.406 10.379 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.781 7.601 11.146 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.350 7.021 11.319 1.00 0.00 C ATOM 0 H VAL A 26 -5.720 6.160 8.502 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.385 5.600 9.617 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.223 8.352 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.638 8.358 11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.563 7.926 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.074 6.660 11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.240 7.785 12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.577 6.064 11.788 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.421 6.938 10.755 1.00 0.00 H new ATOM 353 N ARG A 27 -9.459 7.342 8.004 1.00 0.00 N ATOM 354 CA ARG A 27 -10.074 7.989 6.852 1.00 0.00 C ATOM 355 C ARG A 27 -9.230 9.167 6.374 1.00 0.00 C ATOM 356 O ARG A 27 -9.076 10.163 7.083 1.00 0.00 O ATOM 357 CB ARG A 27 -11.484 8.468 7.202 1.00 0.00 C ATOM 358 CG ARG A 27 -12.241 9.051 6.019 1.00 0.00 C ATOM 359 CD ARG A 27 -13.739 8.824 6.150 1.00 0.00 C ATOM 360 NE ARG A 27 -14.511 9.885 5.510 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.774 9.744 5.122 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.403 8.592 5.309 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.410 10.757 4.547 1.00 0.00 N ATOM 0 H ARG A 27 -10.096 7.172 8.782 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.135 7.257 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.052 7.632 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.418 9.221 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.039 10.120 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.882 8.596 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.001 7.865 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.006 8.767 7.205 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.056 10.784 5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.917 7.812 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.373 8.486 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.929 11.645 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.380 10.648 4.250 1.00 0.00 H new ATOM 377 N LEU A 28 -8.683 9.046 5.169 1.00 0.00 N ATOM 378 CA LEU A 28 -7.853 10.100 4.597 1.00 0.00 C ATOM 379 C LEU A 28 -6.523 10.208 5.336 1.00 0.00 C ATOM 380 O LEU A 28 -6.054 11.306 5.631 1.00 0.00 O ATOM 381 CB LEU A 28 -8.588 11.440 4.648 1.00 0.00 C ATOM 382 CG LEU A 28 -10.035 11.432 4.153 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.711 12.760 4.457 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.087 11.134 2.662 1.00 0.00 C ATOM 0 H LEU A 28 -8.799 8.229 4.570 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.650 9.844 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.579 11.797 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.026 12.162 4.055 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.574 10.645 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.740 12.735 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.707 12.932 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.172 13.565 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.124 11.132 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.532 11.898 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.642 10.157 2.470 1.00 0.00 H new ATOM 396 N GLU A 29 -5.921 9.060 5.630 1.00 0.00 N ATOM 397 CA GLU A 29 -4.644 9.026 6.333 1.00 0.00 C ATOM 398 C GLU A 29 -3.499 8.727 5.369 1.00 0.00 C ATOM 399 O GLU A 29 -3.719 8.234 4.262 1.00 0.00 O ATOM 400 CB GLU A 29 -4.676 7.976 7.445 1.00 0.00 C ATOM 401 CG GLU A 29 -3.370 7.862 8.213 1.00 0.00 C ATOM 402 CD GLU A 29 -3.000 9.146 8.930 1.00 0.00 C ATOM 403 OE1 GLU A 29 -2.823 10.176 8.247 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.889 9.120 10.174 1.00 0.00 O ATOM 0 H GLU A 29 -6.297 8.142 5.392 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.476 10.008 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.477 8.222 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.918 7.006 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.450 7.054 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.570 7.592 7.524 1.00 0.00 H new ATOM 411 N ARG A 30 -2.278 9.029 5.797 1.00 0.00 N ATOM 412 CA ARG A 30 -1.099 8.795 4.973 1.00 0.00 C ATOM 413 C ARG A 30 -0.328 7.572 5.461 1.00 0.00 C ATOM 414 O ARG A 30 0.282 7.596 6.531 1.00 0.00 O ATOM 415 CB ARG A 30 -0.188 10.024 4.986 1.00 0.00 C ATOM 416 CG ARG A 30 1.007 9.906 4.055 1.00 0.00 C ATOM 417 CD ARG A 30 2.169 9.192 4.727 1.00 0.00 C ATOM 418 NE ARG A 30 3.415 9.352 3.982 1.00 0.00 N ATOM 419 CZ ARG A 30 4.137 10.467 3.988 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.739 11.514 4.697 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.260 10.535 3.285 1.00 0.00 N ATOM 0 H ARG A 30 -2.079 9.437 6.711 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.432 8.609 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.771 10.901 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.169 10.190 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.716 9.363 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.323 10.900 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.298 9.581 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.937 8.131 4.821 1.00 0.00 H new ATOM 0 HE ARG A 30 3.749 8.564 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.877 11.465 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.295 12.369 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.570 9.731 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.814 11.392 3.290 1.00 0.00 H new ATOM 435 N VAL A 31 -0.360 6.504 4.671 1.00 0.00 N ATOM 436 CA VAL A 31 0.336 5.272 5.022 1.00 0.00 C ATOM 437 C VAL A 31 1.551 5.053 4.128 1.00 0.00 C ATOM 438 O VAL A 31 1.671 5.662 3.065 1.00 0.00 O ATOM 439 CB VAL A 31 -0.596 4.050 4.912 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.771 4.187 5.869 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.080 3.877 3.481 1.00 0.00 C ATOM 0 H VAL A 31 -0.861 6.467 3.783 1.00 0.00 H new ATOM 0 HA VAL A 31 0.664 5.378 6.056 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.034 3.159 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.418 3.315 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.401 4.258 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.337 5.086 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.737 3.009 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.626 4.768 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.224 3.730 2.823 1.00 0.00 H new ATOM 451 N VAL A 32 2.451 4.177 4.565 1.00 0.00 N ATOM 452 CA VAL A 32 3.657 3.876 3.804 1.00 0.00 C ATOM 453 C VAL A 32 4.011 2.396 3.900 1.00 0.00 C ATOM 454 O VAL A 32 4.506 1.930 4.927 1.00 0.00 O ATOM 455 CB VAL A 32 4.854 4.712 4.294 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.117 4.332 3.536 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.561 6.197 4.148 1.00 0.00 C ATOM 0 H VAL A 32 2.367 3.664 5.442 1.00 0.00 H new ATOM 0 HA VAL A 32 3.448 4.131 2.765 1.00 0.00 H new ATOM 0 HB VAL A 32 5.016 4.499 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.952 4.933 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.334 3.276 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.971 4.514 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.417 6.773 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.372 6.429 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.683 6.455 4.740 1.00 0.00 H new ATOM 467 N LEU A 33 3.757 1.662 2.822 1.00 0.00 N ATOM 468 CA LEU A 33 4.050 0.233 2.784 1.00 0.00 C ATOM 469 C LEU A 33 5.514 -0.013 2.433 1.00 0.00 C ATOM 470 O LEU A 33 6.046 0.576 1.492 1.00 0.00 O ATOM 471 CB LEU A 33 3.145 -0.466 1.767 1.00 0.00 C ATOM 472 CG LEU A 33 1.844 -1.050 2.316 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.194 -0.081 3.292 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.889 -1.387 1.181 1.00 0.00 C ATOM 0 H LEU A 33 3.349 2.032 1.963 1.00 0.00 H new ATOM 0 HA LEU A 33 3.859 -0.179 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.896 0.247 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.712 -1.271 1.299 1.00 0.00 H new ATOM 0 HG LEU A 33 2.079 -1.970 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.269 -0.514 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.874 0.110 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.973 0.856 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.032 -1.802 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.660 -0.483 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.353 -2.119 0.520 1.00 0.00 H new ATOM 486 N THR A 34 6.160 -0.890 3.196 1.00 0.00 N ATOM 487 CA THR A 34 7.562 -1.216 2.965 1.00 0.00 C ATOM 488 C THR A 34 7.711 -2.605 2.356 1.00 0.00 C ATOM 489 O THR A 34 7.409 -3.611 3.000 1.00 0.00 O ATOM 490 CB THR A 34 8.376 -1.150 4.271 1.00 0.00 C ATOM 491 OG1 THR A 34 8.074 0.059 4.976 1.00 0.00 O ATOM 492 CG2 THR A 34 9.868 -1.217 3.983 1.00 0.00 C ATOM 0 H THR A 34 5.735 -1.387 3.979 1.00 0.00 H new ATOM 0 HA THR A 34 7.948 -0.474 2.267 1.00 0.00 H new ATOM 0 HB THR A 34 8.103 -2.007 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.594 0.092 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.422 -1.169 4.920 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.098 -2.152 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.154 -0.378 3.349 1.00 0.00 H new ATOM 500 N CYS A 35 8.178 -2.654 1.114 1.00 0.00 N ATOM 501 CA CYS A 35 8.366 -3.922 0.418 1.00 0.00 C ATOM 502 C CYS A 35 9.710 -3.951 -0.304 1.00 0.00 C ATOM 503 O CYS A 35 9.881 -3.314 -1.343 1.00 0.00 O ATOM 504 CB CYS A 35 7.232 -4.153 -0.582 1.00 0.00 C ATOM 505 SG CYS A 35 6.892 -5.896 -0.923 1.00 0.00 S ATOM 0 H CYS A 35 8.433 -1.831 0.568 1.00 0.00 H new ATOM 0 HA CYS A 35 8.354 -4.720 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.325 -3.685 -0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.480 -3.652 -1.518 1.00 0.00 H new ATOM 0 HG CYS A 35 5.790 -5.998 -1.606 1.00 0.00 H new ATOM 511 N GLU A 36 10.660 -4.694 0.255 1.00 0.00 N ATOM 512 CA GLU A 36 11.989 -4.804 -0.335 1.00 0.00 C ATOM 513 C GLU A 36 12.097 -6.052 -1.206 1.00 0.00 C ATOM 514 O GLU A 36 11.400 -7.042 -0.980 1.00 0.00 O ATOM 515 CB GLU A 36 13.056 -4.839 0.761 1.00 0.00 C ATOM 516 CG GLU A 36 14.471 -4.652 0.240 1.00 0.00 C ATOM 517 CD GLU A 36 15.384 -3.990 1.253 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.220 -4.257 2.462 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.261 -3.204 0.838 1.00 0.00 O ATOM 0 H GLU A 36 10.534 -5.228 1.115 1.00 0.00 H new ATOM 0 HA GLU A 36 12.153 -3.929 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.841 -4.059 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.994 -5.792 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.884 -5.623 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.443 -4.048 -0.667 1.00 0.00 H new ATOM 526 N LEU A 37 12.974 -5.997 -2.201 1.00 0.00 N ATOM 527 CA LEU A 37 13.174 -7.123 -3.108 1.00 0.00 C ATOM 528 C LEU A 37 14.644 -7.527 -3.159 1.00 0.00 C ATOM 529 O LEU A 37 15.531 -6.710 -2.908 1.00 0.00 O ATOM 530 CB LEU A 37 12.682 -6.766 -4.512 1.00 0.00 C ATOM 531 CG LEU A 37 11.264 -6.203 -4.603 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.914 -5.867 -6.045 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.260 -7.189 -4.025 1.00 0.00 C ATOM 0 H LEU A 37 13.558 -5.185 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 37 12.597 -7.968 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.369 -6.037 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.737 -7.660 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 37 11.220 -5.285 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.901 -5.468 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.614 -5.124 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.976 -6.769 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.256 -6.771 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.306 -8.124 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.498 -7.379 -2.979 1.00 0.00 H new ATOM 545 N CYS A 38 14.894 -8.790 -3.486 1.00 0.00 N ATOM 546 CA CYS A 38 16.257 -9.302 -3.572 1.00 0.00 C ATOM 547 C CYS A 38 16.889 -8.946 -4.913 1.00 0.00 C ATOM 548 O CYS A 38 17.998 -9.380 -5.223 1.00 0.00 O ATOM 549 CB CYS A 38 16.267 -10.818 -3.376 1.00 0.00 C ATOM 550 SG CYS A 38 15.340 -11.731 -4.632 1.00 0.00 S ATOM 0 H CYS A 38 14.171 -9.478 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 38 16.844 -8.836 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.300 -11.167 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.853 -11.049 -2.395 1.00 0.00 H new ATOM 0 HG CYS A 38 15.409 -13.005 -4.382 1.00 0.00 H new ATOM 556 N ARG A 39 16.174 -8.154 -5.706 1.00 0.00 N ATOM 557 CA ARG A 39 16.663 -7.742 -7.017 1.00 0.00 C ATOM 558 C ARG A 39 16.266 -6.300 -7.316 1.00 0.00 C ATOM 559 O ARG A 39 15.144 -5.870 -7.047 1.00 0.00 O ATOM 560 CB ARG A 39 16.115 -8.669 -8.104 1.00 0.00 C ATOM 561 CG ARG A 39 16.761 -10.045 -8.112 1.00 0.00 C ATOM 562 CD ARG A 39 18.196 -9.984 -8.611 1.00 0.00 C ATOM 563 NE ARG A 39 19.027 -11.026 -8.014 1.00 0.00 N ATOM 564 CZ ARG A 39 20.347 -10.933 -7.891 1.00 0.00 C ATOM 565 NH1 ARG A 39 20.981 -9.851 -8.320 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.034 -11.924 -7.337 1.00 0.00 N ATOM 0 H ARG A 39 15.255 -7.785 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 39 17.751 -7.807 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.040 -8.782 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.263 -8.201 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.742 -10.463 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.182 -10.716 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.207 -10.088 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.619 -9.006 -8.380 1.00 0.00 H new ATOM 0 HE ARG A 39 18.569 -11.871 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.456 -9.087 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.994 -9.782 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.549 -12.758 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.047 -11.852 -7.243 1.00 0.00 H new ATOM 580 N PRO A 40 17.208 -5.533 -7.886 1.00 0.00 N ATOM 581 CA PRO A 40 16.980 -4.127 -8.234 1.00 0.00 C ATOM 582 C PRO A 40 16.008 -3.969 -9.398 1.00 0.00 C ATOM 583 O PRO A 40 15.053 -3.195 -9.321 1.00 0.00 O ATOM 584 CB PRO A 40 18.373 -3.630 -8.629 1.00 0.00 C ATOM 585 CG PRO A 40 19.100 -4.851 -9.074 1.00 0.00 C ATOM 586 CD PRO A 40 18.567 -5.979 -8.234 1.00 0.00 C ATOM 0 HA PRO A 40 16.531 -3.570 -7.411 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.317 -2.890 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.877 -3.154 -7.788 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.932 -5.041 -10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.175 -4.737 -8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.552 -6.919 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.177 -6.141 -7.345 1.00 0.00 H new ATOM 594 N TRP A 41 16.256 -4.706 -10.474 1.00 0.00 N ATOM 595 CA TRP A 41 15.402 -4.646 -11.655 1.00 0.00 C ATOM 596 C TRP A 41 14.187 -5.553 -11.493 1.00 0.00 C ATOM 597 O TRP A 41 13.565 -5.953 -12.477 1.00 0.00 O ATOM 598 CB TRP A 41 16.191 -5.048 -12.902 1.00 0.00 C ATOM 599 CG TRP A 41 17.206 -6.120 -12.643 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.562 -5.967 -12.580 1.00 0.00 C ATOM 601 CD2 TRP A 41 16.946 -7.509 -12.415 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.160 -7.178 -12.326 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.190 -8.139 -12.220 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.783 -8.281 -12.354 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.302 -9.505 -11.970 1.00 0.00 C ATOM 606 CZ3 TRP A 41 15.895 -9.636 -12.107 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.147 -10.237 -11.916 1.00 0.00 C ATOM 0 H TRP A 41 17.041 -5.352 -10.554 1.00 0.00 H new ATOM 0 HA TRP A 41 15.054 -3.619 -11.770 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.496 -5.393 -13.667 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.696 -4.169 -13.303 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.087 -5.032 -12.711 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.163 -7.336 -12.232 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.814 -7.827 -12.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.266 -9.970 -11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.003 -10.242 -12.060 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.201 -11.298 -11.723 1.00 0.00 H new ATOM 618 N ALA A 42 13.855 -5.874 -10.247 1.00 0.00 N ATOM 619 CA ALA A 42 12.712 -6.732 -9.958 1.00 0.00 C ATOM 620 C ALA A 42 11.416 -5.929 -9.929 1.00 0.00 C ATOM 621 O ALA A 42 11.213 -5.094 -9.049 1.00 0.00 O ATOM 622 CB ALA A 42 12.917 -7.455 -8.635 1.00 0.00 C ATOM 0 H ALA A 42 14.361 -5.553 -9.422 1.00 0.00 H new ATOM 0 HA ALA A 42 12.633 -7.471 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.056 -8.092 -8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.817 -8.068 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.025 -6.724 -7.834 1.00 0.00 H new ATOM 628 N GLU A 43 10.543 -6.188 -10.898 1.00 0.00 N ATOM 629 CA GLU A 43 9.267 -5.488 -10.983 1.00 0.00 C ATOM 630 C GLU A 43 8.210 -6.176 -10.124 1.00 0.00 C ATOM 631 O GLU A 43 8.144 -7.404 -10.067 1.00 0.00 O ATOM 632 CB GLU A 43 8.794 -5.419 -12.436 1.00 0.00 C ATOM 633 CG GLU A 43 7.384 -4.875 -12.592 1.00 0.00 C ATOM 634 CD GLU A 43 7.349 -3.361 -12.675 1.00 0.00 C ATOM 635 OE1 GLU A 43 8.132 -2.793 -13.465 1.00 0.00 O ATOM 636 OE2 GLU A 43 6.540 -2.745 -11.951 1.00 0.00 O ATOM 0 H GLU A 43 10.696 -6.877 -11.634 1.00 0.00 H new ATOM 0 HA GLU A 43 9.412 -4.475 -10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.481 -4.792 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.840 -6.417 -12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.934 -5.295 -13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.777 -5.203 -11.749 1.00 0.00 H new ATOM 643 N VAL A 44 7.385 -5.376 -9.457 1.00 0.00 N ATOM 644 CA VAL A 44 6.331 -5.906 -8.601 1.00 0.00 C ATOM 645 C VAL A 44 4.977 -5.306 -8.961 1.00 0.00 C ATOM 646 O VAL A 44 4.900 -4.302 -9.670 1.00 0.00 O ATOM 647 CB VAL A 44 6.623 -5.631 -7.114 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.996 -6.165 -6.732 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.519 -4.143 -6.817 1.00 0.00 C ATOM 0 H VAL A 44 7.426 -4.357 -9.493 1.00 0.00 H new ATOM 0 HA VAL A 44 6.303 -6.983 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 44 5.877 -6.151 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.185 -5.962 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.029 -7.241 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.758 -5.676 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.728 -3.967 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.241 -3.599 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.513 -3.795 -7.050 1.00 0.00 H new ATOM 659 N ARG A 45 3.910 -5.926 -8.466 1.00 0.00 N ATOM 660 CA ARG A 45 2.558 -5.453 -8.736 1.00 0.00 C ATOM 661 C ARG A 45 1.639 -5.728 -7.550 1.00 0.00 C ATOM 662 O ARG A 45 1.530 -6.864 -7.087 1.00 0.00 O ATOM 663 CB ARG A 45 2.001 -6.124 -9.993 1.00 0.00 C ATOM 664 CG ARG A 45 0.511 -5.904 -10.192 1.00 0.00 C ATOM 665 CD ARG A 45 0.014 -6.569 -11.466 1.00 0.00 C ATOM 666 NE ARG A 45 0.132 -8.023 -11.406 1.00 0.00 N ATOM 667 CZ ARG A 45 0.139 -8.805 -12.480 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.036 -8.275 -13.691 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.249 -10.121 -12.343 1.00 0.00 N ATOM 0 H ARG A 45 3.956 -6.757 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 45 2.603 -4.376 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.535 -5.744 -10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.198 -7.195 -9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.034 -6.302 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.302 -4.835 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.028 -6.296 -11.634 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.583 -6.194 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 45 0.214 -8.463 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.049 -7.264 -13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.042 -8.878 -14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.328 -10.532 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.254 -10.721 -13.168 1.00 0.00 H new ATOM 683 N TRP A 46 0.980 -4.683 -7.063 1.00 0.00 N ATOM 684 CA TRP A 46 0.071 -4.812 -5.930 1.00 0.00 C ATOM 685 C TRP A 46 -1.334 -5.174 -6.399 1.00 0.00 C ATOM 686 O TRP A 46 -1.860 -4.576 -7.338 1.00 0.00 O ATOM 687 CB TRP A 46 0.035 -3.510 -5.128 1.00 0.00 C ATOM 688 CG TRP A 46 1.380 -3.089 -4.618 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.394 -2.535 -5.345 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.856 -3.189 -3.272 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.473 -2.285 -4.531 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.168 -2.677 -3.255 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.302 -3.661 -2.079 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.931 -2.624 -2.092 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.061 -3.609 -0.926 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.364 -3.093 -0.938 1.00 0.00 C ATOM 0 H TRP A 46 1.058 -3.737 -7.435 1.00 0.00 H new ATOM 0 HA TRP A 46 0.438 -5.614 -5.290 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.373 -2.717 -5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.644 -3.630 -4.284 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.354 -2.324 -6.403 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.358 -1.874 -4.829 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.298 -4.059 -2.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.935 -2.227 -2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.643 -3.972 0.001 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.931 -3.065 -0.019 1.00 0.00 H new ATOM 707 N THR A 47 -1.938 -6.158 -5.739 1.00 0.00 N ATOM 708 CA THR A 47 -3.282 -6.600 -6.089 1.00 0.00 C ATOM 709 C THR A 47 -4.226 -6.487 -4.897 1.00 0.00 C ATOM 710 O THR A 47 -3.907 -6.933 -3.795 1.00 0.00 O ATOM 711 CB THR A 47 -3.281 -8.056 -6.592 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.534 -8.884 -5.694 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.683 -8.146 -7.988 1.00 0.00 C ATOM 0 H THR A 47 -1.517 -6.664 -4.959 1.00 0.00 H new ATOM 0 HA THR A 47 -3.631 -5.947 -6.889 1.00 0.00 H new ATOM 0 HB THR A 47 -4.313 -8.404 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.101 -8.324 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.693 -9.184 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.271 -7.538 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.656 -7.781 -7.968 1.00 0.00 H new ATOM 721 N LYS A 48 -5.390 -5.888 -5.125 1.00 0.00 N ATOM 722 CA LYS A 48 -6.382 -5.717 -4.071 1.00 0.00 C ATOM 723 C LYS A 48 -7.552 -6.677 -4.264 1.00 0.00 C ATOM 724 O LYS A 48 -8.471 -6.403 -5.036 1.00 0.00 O ATOM 725 CB LYS A 48 -6.891 -4.274 -4.050 1.00 0.00 C ATOM 726 CG LYS A 48 -7.386 -3.823 -2.687 1.00 0.00 C ATOM 727 CD LYS A 48 -7.222 -2.324 -2.502 1.00 0.00 C ATOM 728 CE LYS A 48 -8.125 -1.796 -1.398 1.00 0.00 C ATOM 729 NZ LYS A 48 -8.530 -0.384 -1.640 1.00 0.00 N ATOM 0 H LYS A 48 -5.669 -5.513 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.904 -5.941 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.089 -3.610 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.700 -4.173 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.436 -4.092 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.836 -4.349 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.183 -2.097 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.453 -1.814 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.015 -2.422 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.608 -1.866 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.278 0.196 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.038 -0.021 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.558 -0.339 -1.794 1.00 0.00 H new ATOM 743 N ASP A 49 -7.511 -7.801 -3.558 1.00 0.00 N ATOM 744 CA ASP A 49 -8.569 -8.801 -3.650 1.00 0.00 C ATOM 745 C ASP A 49 -8.516 -9.527 -4.990 1.00 0.00 C ATOM 746 O ASP A 49 -9.547 -9.900 -5.547 1.00 0.00 O ATOM 747 CB ASP A 49 -9.938 -8.144 -3.466 1.00 0.00 C ATOM 748 CG ASP A 49 -10.967 -9.100 -2.895 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.568 -10.042 -2.179 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.171 -8.907 -3.166 1.00 0.00 O ATOM 0 H ASP A 49 -6.757 -8.043 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.415 -9.531 -2.855 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.839 -7.284 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.289 -7.768 -4.427 1.00 0.00 H new ATOM 755 N GLY A 50 -7.305 -9.723 -5.504 1.00 0.00 N ATOM 756 CA GLY A 50 -7.139 -10.402 -6.775 1.00 0.00 C ATOM 757 C GLY A 50 -7.013 -9.436 -7.937 1.00 0.00 C ATOM 758 O GLY A 50 -6.395 -9.755 -8.952 1.00 0.00 O ATOM 0 H GLY A 50 -6.436 -9.423 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.251 -11.033 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.990 -11.061 -6.945 1.00 0.00 H new ATOM 762 N GLU A 51 -7.600 -8.253 -7.787 1.00 0.00 N ATOM 763 CA GLU A 51 -7.552 -7.239 -8.834 1.00 0.00 C ATOM 764 C GLU A 51 -6.253 -6.441 -8.759 1.00 0.00 C ATOM 765 O GLU A 51 -5.668 -6.290 -7.687 1.00 0.00 O ATOM 766 CB GLU A 51 -8.750 -6.295 -8.717 1.00 0.00 C ATOM 767 CG GLU A 51 -10.013 -6.830 -9.372 1.00 0.00 C ATOM 768 CD GLU A 51 -9.877 -6.964 -10.877 1.00 0.00 C ATOM 769 OE1 GLU A 51 -9.252 -6.078 -11.496 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.395 -7.954 -11.434 1.00 0.00 O ATOM 0 H GLU A 51 -8.114 -7.973 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.592 -7.747 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.950 -6.105 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.493 -5.338 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.255 -7.803 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.846 -6.165 -9.144 1.00 0.00 H new ATOM 777 N GLU A 52 -5.810 -5.934 -9.905 1.00 0.00 N ATOM 778 CA GLU A 52 -4.580 -5.153 -9.969 1.00 0.00 C ATOM 779 C GLU A 52 -4.857 -3.679 -9.691 1.00 0.00 C ATOM 780 O GLU A 52 -5.562 -3.014 -10.450 1.00 0.00 O ATOM 781 CB GLU A 52 -3.921 -5.310 -11.341 1.00 0.00 C ATOM 782 CG GLU A 52 -2.825 -4.293 -11.609 1.00 0.00 C ATOM 783 CD GLU A 52 -2.410 -4.253 -13.068 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.592 -5.272 -13.765 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.904 -3.201 -13.511 1.00 0.00 O ATOM 0 H GLU A 52 -6.284 -6.050 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.901 -5.528 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.502 -6.313 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.684 -5.221 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.170 -3.304 -11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.956 -4.530 -10.994 1.00 0.00 H new ATOM 792 N VAL A 53 -4.296 -3.173 -8.597 1.00 0.00 N ATOM 793 CA VAL A 53 -4.482 -1.778 -8.218 1.00 0.00 C ATOM 794 C VAL A 53 -4.316 -0.855 -9.420 1.00 0.00 C ATOM 795 O VAL A 53 -3.553 -1.149 -10.341 1.00 0.00 O ATOM 796 CB VAL A 53 -3.486 -1.357 -7.121 1.00 0.00 C ATOM 797 CG1 VAL A 53 -3.691 -2.191 -5.865 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.056 -1.479 -7.624 1.00 0.00 C ATOM 0 H VAL A 53 -3.709 -3.709 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.497 -1.688 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.670 -0.313 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.979 -1.879 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.706 -2.048 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.535 -3.244 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.366 -1.177 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.856 -2.513 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.919 -0.834 -8.492 1.00 0.00 H new ATOM 808 N VAL A 54 -5.034 0.263 -9.405 1.00 0.00 N ATOM 809 CA VAL A 54 -4.966 1.231 -10.493 1.00 0.00 C ATOM 810 C VAL A 54 -4.626 2.622 -9.971 1.00 0.00 C ATOM 811 O VAL A 54 -5.417 3.238 -9.258 1.00 0.00 O ATOM 812 CB VAL A 54 -6.294 1.296 -11.270 1.00 0.00 C ATOM 813 CG1 VAL A 54 -7.429 1.724 -10.353 1.00 0.00 C ATOM 814 CG2 VAL A 54 -6.171 2.242 -12.456 1.00 0.00 C ATOM 0 H VAL A 54 -5.670 0.521 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.176 0.896 -11.166 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.522 0.300 -11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.359 1.764 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.530 1.005 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.212 2.710 -9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.118 2.276 -12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.920 3.241 -12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.387 1.887 -13.125 1.00 0.00 H new ATOM 824 N GLU A 55 -3.444 3.112 -10.332 1.00 0.00 N ATOM 825 CA GLU A 55 -3.000 4.431 -9.899 1.00 0.00 C ATOM 826 C GLU A 55 -4.179 5.393 -9.787 1.00 0.00 C ATOM 827 O GLU A 55 -5.145 5.299 -10.546 1.00 0.00 O ATOM 828 CB GLU A 55 -1.963 4.990 -10.875 1.00 0.00 C ATOM 829 CG GLU A 55 -0.539 4.560 -10.563 1.00 0.00 C ATOM 830 CD GLU A 55 0.326 4.460 -11.805 1.00 0.00 C ATOM 831 OE1 GLU A 55 -0.179 3.986 -12.844 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.508 4.857 -11.737 1.00 0.00 O ATOM 0 H GLU A 55 -2.777 2.615 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.544 4.327 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.217 4.669 -11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.016 6.079 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.092 5.273 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.557 3.594 -10.059 1.00 0.00 H new ATOM 839 N SER A 56 -4.094 6.317 -8.836 1.00 0.00 N ATOM 840 CA SER A 56 -5.155 7.293 -8.621 1.00 0.00 C ATOM 841 C SER A 56 -4.708 8.375 -7.642 1.00 0.00 C ATOM 842 O SER A 56 -3.678 8.260 -6.978 1.00 0.00 O ATOM 843 CB SER A 56 -6.414 6.602 -8.095 1.00 0.00 C ATOM 844 OG SER A 56 -7.382 6.455 -9.120 1.00 0.00 O ATOM 0 H SER A 56 -3.301 6.410 -8.202 1.00 0.00 H new ATOM 0 HA SER A 56 -5.381 7.764 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.154 5.623 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.835 7.182 -7.274 1.00 0.00 H new ATOM 0 HG SER A 56 -6.968 6.038 -9.904 1.00 0.00 H new ATOM 850 N PRO A 57 -5.502 9.452 -7.549 1.00 0.00 N ATOM 851 CA PRO A 57 -5.210 10.576 -6.654 1.00 0.00 C ATOM 852 C PRO A 57 -5.377 10.205 -5.184 1.00 0.00 C ATOM 853 O PRO A 57 -5.193 11.039 -4.299 1.00 0.00 O ATOM 854 CB PRO A 57 -6.242 11.630 -7.060 1.00 0.00 C ATOM 855 CG PRO A 57 -7.370 10.851 -7.644 1.00 0.00 C ATOM 856 CD PRO A 57 -6.746 9.656 -8.310 1.00 0.00 C ATOM 0 HA PRO A 57 -4.178 10.913 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.569 12.216 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.828 12.331 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.074 10.544 -6.871 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.928 11.451 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.396 8.783 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.546 9.843 -9.365 1.00 0.00 H new ATOM 864 N ALA A 58 -5.726 8.948 -4.932 1.00 0.00 N ATOM 865 CA ALA A 58 -5.915 8.466 -3.570 1.00 0.00 C ATOM 866 C ALA A 58 -4.924 7.355 -3.237 1.00 0.00 C ATOM 867 O ALA A 58 -4.800 6.946 -2.082 1.00 0.00 O ATOM 868 CB ALA A 58 -7.343 7.977 -3.376 1.00 0.00 C ATOM 0 H ALA A 58 -5.884 8.245 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.731 9.297 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.470 7.620 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.037 8.797 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.547 7.164 -4.072 1.00 0.00 H new ATOM 874 N LEU A 59 -4.222 6.872 -4.256 1.00 0.00 N ATOM 875 CA LEU A 59 -3.241 5.807 -4.072 1.00 0.00 C ATOM 876 C LEU A 59 -1.983 6.079 -4.889 1.00 0.00 C ATOM 877 O LEU A 59 -2.005 6.026 -6.120 1.00 0.00 O ATOM 878 CB LEU A 59 -3.842 4.459 -4.472 1.00 0.00 C ATOM 879 CG LEU A 59 -2.879 3.271 -4.481 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.608 1.990 -4.108 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.216 3.132 -5.844 1.00 0.00 C ATOM 0 H LEU A 59 -4.313 7.200 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.967 5.777 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.661 4.232 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.275 4.558 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.102 3.452 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.907 1.156 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.035 2.091 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.406 1.803 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.534 2.282 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.980 2.974 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.659 4.041 -6.072 1.00 0.00 H new ATOM 893 N LEU A 60 -0.886 6.368 -4.198 1.00 0.00 N ATOM 894 CA LEU A 60 0.384 6.646 -4.860 1.00 0.00 C ATOM 895 C LEU A 60 1.339 5.464 -4.725 1.00 0.00 C ATOM 896 O LEU A 60 1.615 4.998 -3.619 1.00 0.00 O ATOM 897 CB LEU A 60 1.025 7.903 -4.270 1.00 0.00 C ATOM 898 CG LEU A 60 0.196 9.185 -4.362 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.874 10.315 -3.601 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.023 9.576 -5.816 1.00 0.00 C ATOM 0 H LEU A 60 -0.850 6.416 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 60 0.185 6.810 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.250 7.714 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.977 8.072 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.776 8.999 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.270 11.219 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.979 10.036 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.860 10.500 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.615 10.490 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.941 9.743 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.552 8.775 -6.332 1.00 0.00 H new ATOM 912 N LEU A 61 1.842 4.984 -5.857 1.00 0.00 N ATOM 913 CA LEU A 61 2.768 3.857 -5.866 1.00 0.00 C ATOM 914 C LEU A 61 4.214 4.341 -5.913 1.00 0.00 C ATOM 915 O LEU A 61 4.662 4.887 -6.921 1.00 0.00 O ATOM 916 CB LEU A 61 2.483 2.947 -7.061 1.00 0.00 C ATOM 917 CG LEU A 61 1.071 2.366 -7.141 1.00 0.00 C ATOM 918 CD1 LEU A 61 0.960 1.391 -8.304 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.701 1.683 -5.833 1.00 0.00 C ATOM 0 H LEU A 61 1.624 5.358 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 61 2.623 3.292 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.675 3.510 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.194 2.121 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 61 0.371 3.184 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.052 0.988 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.182 1.910 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.670 0.576 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.307 1.275 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.405 0.875 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.740 2.408 -5.020 1.00 0.00 H new ATOM 931 N GLN A 62 4.938 4.135 -4.818 1.00 0.00 N ATOM 932 CA GLN A 62 6.334 4.549 -4.736 1.00 0.00 C ATOM 933 C GLN A 62 7.265 3.397 -5.095 1.00 0.00 C ATOM 934 O GLN A 62 6.934 2.229 -4.890 1.00 0.00 O ATOM 935 CB GLN A 62 6.654 5.061 -3.331 1.00 0.00 C ATOM 936 CG GLN A 62 5.815 6.259 -2.913 1.00 0.00 C ATOM 937 CD GLN A 62 5.717 7.310 -4.001 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.707 7.635 -4.658 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.519 7.848 -4.198 1.00 0.00 N ATOM 0 H GLN A 62 4.581 3.684 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 62 6.491 5.355 -5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.500 4.253 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.709 5.332 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.813 5.921 -2.648 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.248 6.707 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.726 7.549 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.392 8.560 -4.917 1.00 0.00 H new ATOM 948 N LYS A 63 8.433 3.732 -5.633 1.00 0.00 N ATOM 949 CA LYS A 63 9.415 2.726 -6.021 1.00 0.00 C ATOM 950 C LYS A 63 10.834 3.229 -5.779 1.00 0.00 C ATOM 951 O LYS A 63 11.264 4.211 -6.383 1.00 0.00 O ATOM 952 CB LYS A 63 9.238 2.353 -7.494 1.00 0.00 C ATOM 953 CG LYS A 63 7.792 2.109 -7.891 1.00 0.00 C ATOM 954 CD LYS A 63 7.592 2.260 -9.390 1.00 0.00 C ATOM 955 CE LYS A 63 6.257 1.685 -9.835 1.00 0.00 C ATOM 956 NZ LYS A 63 6.099 1.728 -11.315 1.00 0.00 N ATOM 0 H LYS A 63 8.723 4.694 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 63 9.253 1.840 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.646 3.151 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.820 1.456 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.493 1.107 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.146 2.811 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.643 3.315 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.401 1.756 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.173 0.654 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.447 2.244 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.176 1.327 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.154 2.714 -11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.857 1.173 -11.761 1.00 0.00 H new ATOM 970 N GLU A 64 11.556 2.549 -4.894 1.00 0.00 N ATOM 971 CA GLU A 64 12.927 2.928 -4.575 1.00 0.00 C ATOM 972 C GLU A 64 13.923 2.104 -5.386 1.00 0.00 C ATOM 973 O GLU A 64 13.536 1.325 -6.258 1.00 0.00 O ATOM 974 CB GLU A 64 13.196 2.745 -3.080 1.00 0.00 C ATOM 975 CG GLU A 64 14.079 3.828 -2.483 1.00 0.00 C ATOM 976 CD GLU A 64 13.279 4.979 -1.904 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.695 5.752 -2.692 1.00 0.00 O ATOM 978 OE2 GLU A 64 13.238 5.107 -0.663 1.00 0.00 O ATOM 0 H GLU A 64 11.214 1.733 -4.386 1.00 0.00 H new ATOM 0 HA GLU A 64 13.055 3.979 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.245 2.729 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.667 1.775 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.702 3.394 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.752 4.208 -3.252 1.00 0.00 H new ATOM 985 N ASP A 65 15.206 2.282 -5.094 1.00 0.00 N ATOM 986 CA ASP A 65 16.258 1.556 -5.795 1.00 0.00 C ATOM 987 C ASP A 65 15.940 0.065 -5.857 1.00 0.00 C ATOM 988 O ASP A 65 15.613 -0.468 -6.919 1.00 0.00 O ATOM 989 CB ASP A 65 17.606 1.773 -5.104 1.00 0.00 C ATOM 990 CG ASP A 65 18.768 1.736 -6.077 1.00 0.00 C ATOM 991 OD1 ASP A 65 19.098 2.796 -6.650 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.348 0.646 -6.266 1.00 0.00 O ATOM 0 H ASP A 65 15.543 2.923 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 65 16.314 1.941 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.597 2.734 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.749 1.006 -4.343 1.00 0.00 H new ATOM 997 N THR A 66 16.039 -0.605 -4.713 1.00 0.00 N ATOM 998 CA THR A 66 15.764 -2.034 -4.638 1.00 0.00 C ATOM 999 C THR A 66 14.574 -2.318 -3.729 1.00 0.00 C ATOM 1000 O THR A 66 14.228 -3.474 -3.484 1.00 0.00 O ATOM 1001 CB THR A 66 16.987 -2.815 -4.122 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.584 -2.119 -3.022 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.015 -3.003 -5.228 1.00 0.00 C ATOM 0 H THR A 66 16.308 -0.180 -3.825 1.00 0.00 H new ATOM 0 HA THR A 66 15.532 -2.364 -5.650 1.00 0.00 H new ATOM 0 HB THR A 66 16.650 -3.797 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.360 -2.623 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.870 -3.557 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.566 -3.558 -6.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.347 -2.028 -5.586 1.00 0.00 H new ATOM 1011 N VAL A 67 13.949 -1.256 -3.231 1.00 0.00 N ATOM 1012 CA VAL A 67 12.795 -1.391 -2.350 1.00 0.00 C ATOM 1013 C VAL A 67 11.614 -0.574 -2.861 1.00 0.00 C ATOM 1014 O VAL A 67 11.766 0.589 -3.234 1.00 0.00 O ATOM 1015 CB VAL A 67 13.130 -0.945 -0.914 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.906 0.363 -0.928 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.859 -0.812 -0.088 1.00 0.00 C ATOM 0 H VAL A 67 14.223 -0.292 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 67 12.526 -2.447 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 67 13.758 -1.707 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 67 14.134 0.662 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.835 0.229 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.306 1.137 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.114 -0.496 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.204 -0.071 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.348 -1.774 -0.050 1.00 0.00 H new ATOM 1027 N ARG A 68 10.437 -1.191 -2.877 1.00 0.00 N ATOM 1028 CA ARG A 68 9.229 -0.521 -3.343 1.00 0.00 C ATOM 1029 C ARG A 68 8.314 -0.171 -2.173 1.00 0.00 C ATOM 1030 O ARG A 68 8.315 -0.852 -1.147 1.00 0.00 O ATOM 1031 CB ARG A 68 8.482 -1.408 -4.341 1.00 0.00 C ATOM 1032 CG ARG A 68 9.332 -1.848 -5.521 1.00 0.00 C ATOM 1033 CD ARG A 68 9.373 -0.783 -6.606 1.00 0.00 C ATOM 1034 NE ARG A 68 10.146 -1.214 -7.768 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.472 -1.283 -7.784 1.00 0.00 C ATOM 1036 NH1 ARG A 68 12.170 -0.950 -6.707 1.00 0.00 N ATOM 1037 NH2 ARG A 68 12.104 -1.685 -8.880 1.00 0.00 N ATOM 0 H ARG A 68 10.294 -2.154 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 68 9.525 0.404 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.111 -2.292 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.611 -0.868 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.345 -2.062 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.932 -2.774 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.356 -0.542 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.807 0.131 -6.201 1.00 0.00 H new ATOM 0 HE ARG A 68 9.639 -1.476 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.689 -0.640 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.188 -1.004 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.571 -1.941 -9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.123 -1.738 -8.891 1.00 0.00 H new ATOM 1051 N ARG A 69 7.537 0.894 -2.335 1.00 0.00 N ATOM 1052 CA ARG A 69 6.619 1.335 -1.291 1.00 0.00 C ATOM 1053 C ARG A 69 5.332 1.888 -1.897 1.00 0.00 C ATOM 1054 O ARG A 69 5.334 2.415 -3.010 1.00 0.00 O ATOM 1055 CB ARG A 69 7.282 2.400 -0.416 1.00 0.00 C ATOM 1056 CG ARG A 69 8.429 1.868 0.428 1.00 0.00 C ATOM 1057 CD ARG A 69 8.742 2.796 1.591 1.00 0.00 C ATOM 1058 NE ARG A 69 9.402 4.022 1.151 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.776 4.992 1.977 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.557 4.880 3.280 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.372 6.078 1.500 1.00 0.00 N ATOM 0 H ARG A 69 7.524 1.468 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 69 6.368 0.472 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.653 3.202 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.531 2.837 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.174 0.879 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.316 1.751 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.818 3.048 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.380 2.278 2.307 1.00 0.00 H new ATOM 0 HE ARG A 69 9.586 4.140 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.100 4.047 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.846 5.627 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.543 6.168 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.659 6.823 2.135 1.00 0.00 H new ATOM 1075 N LEU A 70 4.236 1.764 -1.158 1.00 0.00 N ATOM 1076 CA LEU A 70 2.941 2.251 -1.622 1.00 0.00 C ATOM 1077 C LEU A 70 2.371 3.286 -0.657 1.00 0.00 C ATOM 1078 O LEU A 70 1.833 2.940 0.395 1.00 0.00 O ATOM 1079 CB LEU A 70 1.961 1.087 -1.775 1.00 0.00 C ATOM 1080 CG LEU A 70 0.478 1.437 -1.655 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.112 2.550 -2.626 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.383 0.207 -1.902 1.00 0.00 C ATOM 0 H LEU A 70 4.217 1.331 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 70 3.086 2.726 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.127 0.624 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.199 0.337 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 70 0.289 1.790 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.948 2.786 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.704 3.437 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.317 2.225 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.436 0.476 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.191 -0.177 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.141 -0.560 -1.167 1.00 0.00 H new ATOM 1094 N VAL A 71 2.491 4.559 -1.024 1.00 0.00 N ATOM 1095 CA VAL A 71 1.985 5.644 -0.193 1.00 0.00 C ATOM 1096 C VAL A 71 0.593 6.076 -0.641 1.00 0.00 C ATOM 1097 O VAL A 71 0.287 6.083 -1.834 1.00 0.00 O ATOM 1098 CB VAL A 71 2.925 6.864 -0.229 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.356 8.002 0.605 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.315 6.479 0.256 1.00 0.00 C ATOM 0 H VAL A 71 2.934 4.863 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 71 1.934 5.264 0.827 1.00 0.00 H new ATOM 0 HB VAL A 71 3.007 7.208 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.034 8.855 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.384 8.293 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.242 7.674 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.966 7.352 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.254 6.109 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.722 5.699 -0.388 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.247 6.437 0.323 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.608 6.871 0.029 1.00 0.00 C ATOM 1112 C LEU A 72 -1.892 8.234 0.652 1.00 0.00 C ATOM 1113 O LEU A 72 -2.045 8.369 1.867 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.616 5.842 0.544 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.708 4.538 -0.248 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.539 3.625 0.089 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.031 3.838 0.029 1.00 0.00 C ATOM 0 H LEU A 72 -0.009 6.438 1.315 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.709 6.959 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.362 5.600 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.603 6.305 0.558 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.661 4.777 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.621 2.702 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.603 4.125 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.554 3.393 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.079 2.912 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.107 3.612 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.855 4.489 -0.264 1.00 0.00 H new ATOM 1129 N PRO A 73 -1.966 9.270 -0.197 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.234 10.640 0.248 1.00 0.00 C ATOM 1131 C PRO A 73 -3.665 10.819 0.745 1.00 0.00 C ATOM 1132 O PRO A 73 -3.992 11.825 1.374 1.00 0.00 O ATOM 1133 CB PRO A 73 -1.998 11.475 -1.013 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.241 10.534 -2.142 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.794 9.182 -1.657 1.00 0.00 C ATOM 0 HA PRO A 73 -1.603 10.926 1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.676 12.328 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.983 11.872 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.295 10.520 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.682 10.835 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.397 8.382 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.758 8.980 -1.928 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.513 9.836 0.459 1.00 0.00 N ATOM 1144 CA ALA A 74 -5.908 9.884 0.879 1.00 0.00 C ATOM 1145 C ALA A 74 -6.561 8.511 0.769 1.00 0.00 C ATOM 1146 O ALA A 74 -6.833 8.027 -0.330 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.674 10.904 0.050 1.00 0.00 C ATOM 0 H ALA A 74 -4.258 8.997 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.937 10.188 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.714 10.929 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.228 11.890 0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.629 10.625 -1.003 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.812 7.887 1.916 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.435 6.569 1.948 1.00 0.00 C ATOM 1155 C VAL A 75 -8.910 6.667 2.320 1.00 0.00 C ATOM 1156 O VAL A 75 -9.411 7.747 2.631 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.726 5.637 2.949 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.231 5.915 2.970 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.325 5.794 4.339 1.00 0.00 C ATOM 0 H VAL A 75 -6.594 8.273 2.835 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.343 6.151 0.945 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.875 4.606 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.747 5.247 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.816 5.748 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.057 6.949 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.812 5.128 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.208 6.825 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.385 5.541 4.309 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.601 5.532 2.285 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.020 5.491 2.618 1.00 0.00 C ATOM 1171 C GLN A 76 -11.373 4.192 3.336 1.00 0.00 C ATOM 1172 O GLN A 76 -10.736 3.159 3.122 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.867 5.634 1.352 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.557 6.889 0.552 1.00 0.00 C ATOM 1175 CD GLN A 76 -11.988 8.156 1.264 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.153 8.171 2.484 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.172 9.229 0.503 1.00 0.00 N ATOM 0 H GLN A 76 -9.201 4.629 2.030 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.235 6.325 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.709 4.761 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.921 5.641 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.486 6.934 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.057 6.832 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.024 9.171 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.462 10.111 0.926 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.390 4.251 4.188 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.828 3.079 4.938 1.00 0.00 C ATOM 1188 C LEU A 77 -13.088 1.901 4.005 1.00 0.00 C ATOM 1189 O LEU A 77 -12.864 0.747 4.371 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.094 3.403 5.734 1.00 0.00 C ATOM 1191 CG LEU A 77 -13.959 4.498 6.793 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.307 4.787 7.436 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -12.938 4.097 7.848 1.00 0.00 C ATOM 0 H LEU A 77 -12.927 5.097 4.377 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.032 2.802 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.875 3.698 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.434 2.491 6.224 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.609 5.408 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.192 5.569 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.011 5.118 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.686 3.881 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.855 4.888 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.258 3.174 8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.968 3.941 7.375 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.559 2.200 2.799 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.848 1.165 1.814 1.00 0.00 C ATOM 1207 C GLU A 78 -12.560 0.518 1.311 1.00 0.00 C ATOM 1208 O GLU A 78 -12.522 -0.680 1.034 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.629 1.753 0.637 1.00 0.00 C ATOM 1210 CG GLU A 78 -14.327 3.219 0.377 1.00 0.00 C ATOM 1211 CD GLU A 78 -14.771 3.672 -1.000 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -15.980 3.931 -1.177 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -13.910 3.767 -1.900 1.00 0.00 O ATOM 0 H GLU A 78 -13.749 3.150 2.481 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.455 0.399 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.402 1.179 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.696 1.639 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.823 3.828 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.256 3.390 0.483 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.508 1.321 1.196 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.218 0.828 0.728 1.00 0.00 C ATOM 1222 C ASP A 79 -9.678 -0.253 1.659 1.00 0.00 C ATOM 1223 O ASP A 79 -9.028 -1.199 1.217 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.215 1.979 0.627 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.509 2.902 -0.539 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.009 2.412 -1.573 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.238 4.116 -0.418 1.00 0.00 O ATOM 0 H ASP A 79 -11.523 2.316 1.420 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.361 0.392 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.230 2.553 1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.209 1.572 0.520 1.00 0.00 H new ATOM 1232 N SER A 80 -9.952 -0.104 2.952 1.00 0.00 N ATOM 1233 CA SER A 80 -9.490 -1.065 3.946 1.00 0.00 C ATOM 1234 C SER A 80 -9.845 -2.490 3.531 1.00 0.00 C ATOM 1235 O SER A 80 -11.017 -2.830 3.380 1.00 0.00 O ATOM 1236 CB SER A 80 -10.103 -0.752 5.312 1.00 0.00 C ATOM 1237 OG SER A 80 -11.491 -1.039 5.326 1.00 0.00 O ATOM 0 H SER A 80 -10.491 0.673 3.335 1.00 0.00 H new ATOM 0 HA SER A 80 -8.405 -0.985 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.600 -1.336 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.943 0.299 5.554 1.00 0.00 H new ATOM 0 HG SER A 80 -11.922 -0.606 4.560 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.822 -3.319 3.348 1.00 0.00 N ATOM 1244 CA GLY A 81 -9.045 -4.697 2.952 1.00 0.00 C ATOM 1245 C GLY A 81 -7.804 -5.553 3.107 1.00 0.00 C ATOM 1246 O GLY A 81 -7.228 -5.632 4.191 1.00 0.00 O ATOM 0 H GLY A 81 -7.842 -3.061 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.851 -5.119 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.374 -4.725 1.913 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.392 -6.197 2.019 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.212 -7.054 2.040 1.00 0.00 C ATOM 1252 C GLU A 82 -5.289 -6.737 0.867 1.00 0.00 C ATOM 1253 O GLU A 82 -5.523 -7.179 -0.258 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.623 -8.527 1.997 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.649 -9.452 2.706 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.999 -10.917 2.526 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.919 -11.397 3.221 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.353 -11.582 1.690 1.00 0.00 O ATOM 0 H GLU A 82 -7.857 -6.142 1.113 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.672 -6.863 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.608 -8.634 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.716 -8.839 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.643 -9.274 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.636 -9.213 3.769 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.239 -5.969 1.139 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.282 -5.591 0.107 1.00 0.00 C ATOM 1267 C TYR A 83 -2.234 -6.681 -0.091 1.00 0.00 C ATOM 1268 O TYR A 83 -1.397 -6.920 0.781 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.599 -4.272 0.474 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.348 -3.048 -0.004 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -3.096 -2.500 -1.255 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -4.308 -2.441 0.796 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -3.777 -1.382 -1.695 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -4.996 -1.324 0.364 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.726 -0.798 -0.882 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.408 0.316 -1.317 1.00 0.00 O ATOM 0 H TYR A 83 -4.030 -5.597 2.065 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.827 -5.463 -0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.488 -4.219 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.595 -4.262 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.355 -2.956 -1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.520 -2.850 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.568 -0.967 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.741 -0.865 0.998 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.041 0.602 -0.626 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.285 -7.340 -1.243 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.340 -8.406 -1.558 1.00 0.00 C ATOM 1288 C LEU A 84 -0.383 -7.976 -2.664 1.00 0.00 C ATOM 1289 O LEU A 84 -0.779 -7.832 -3.821 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.090 -9.671 -1.980 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.324 -10.710 -0.884 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.058 -11.514 -0.631 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.795 -10.037 0.397 1.00 0.00 C ATOM 0 H LEU A 84 -2.971 -7.155 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.758 -8.618 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.058 -9.377 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.535 -10.145 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.103 -11.394 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.244 -12.249 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.763 -12.027 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.258 -10.844 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.957 -10.792 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.038 -9.330 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.728 -9.507 0.207 1.00 0.00 H new ATOM 1305 N CYS A 85 0.879 -7.773 -2.301 1.00 0.00 N ATOM 1306 CA CYS A 85 1.894 -7.360 -3.264 1.00 0.00 C ATOM 1307 C CYS A 85 2.545 -8.573 -3.922 1.00 0.00 C ATOM 1308 O CYS A 85 3.344 -9.273 -3.301 1.00 0.00 O ATOM 1309 CB CYS A 85 2.960 -6.505 -2.577 1.00 0.00 C ATOM 1310 SG CYS A 85 4.129 -5.727 -3.715 1.00 0.00 S ATOM 0 H CYS A 85 1.223 -7.888 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 85 1.406 -6.768 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.466 -5.728 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.513 -7.129 -1.875 1.00 0.00 H new ATOM 0 HG CYS A 85 4.199 -4.454 -3.462 1.00 0.00 H new ATOM 1316 N GLU A 86 2.195 -8.815 -5.181 1.00 0.00 N ATOM 1317 CA GLU A 86 2.743 -9.945 -5.922 1.00 0.00 C ATOM 1318 C GLU A 86 3.923 -9.509 -6.785 1.00 0.00 C ATOM 1319 O GLU A 86 4.034 -8.341 -7.158 1.00 0.00 O ATOM 1320 CB GLU A 86 1.662 -10.580 -6.800 1.00 0.00 C ATOM 1321 CG GLU A 86 0.313 -10.702 -6.112 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.496 -11.880 -6.619 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.115 -12.903 -6.993 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.741 -11.779 -6.640 1.00 0.00 O ATOM 0 H GLU A 86 1.535 -8.244 -5.709 1.00 0.00 H new ATOM 0 HA GLU A 86 3.095 -10.683 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.546 -9.985 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.993 -11.571 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.465 -10.806 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.254 -9.784 -6.266 1.00 0.00 H new ATOM 1331 N ILE A 87 4.802 -10.455 -7.097 1.00 0.00 N ATOM 1332 CA ILE A 87 5.974 -10.169 -7.916 1.00 0.00 C ATOM 1333 C ILE A 87 6.105 -11.173 -9.056 1.00 0.00 C ATOM 1334 O ILE A 87 5.833 -10.852 -10.213 1.00 0.00 O ATOM 1335 CB ILE A 87 7.265 -10.190 -7.077 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.479 -10.434 -7.976 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.177 -11.256 -5.995 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.745 -9.777 -7.473 1.00 0.00 C ATOM 0 H ILE A 87 4.725 -11.426 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 87 5.835 -9.170 -8.329 1.00 0.00 H new ATOM 0 HB ILE A 87 7.383 -9.220 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.646 -11.508 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.260 -10.063 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.097 -11.258 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.332 -11.041 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.039 -12.233 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.564 -9.992 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.596 -8.699 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.989 -10.166 -6.484 1.00 0.00 H new ATOM 1350 N ASP A 88 6.522 -12.389 -8.722 1.00 0.00 N ATOM 1351 CA ASP A 88 6.688 -13.441 -9.717 1.00 0.00 C ATOM 1352 C ASP A 88 5.862 -14.670 -9.351 1.00 0.00 C ATOM 1353 O ASP A 88 4.852 -14.965 -9.991 1.00 0.00 O ATOM 1354 CB ASP A 88 8.163 -13.823 -9.847 1.00 0.00 C ATOM 1355 CG ASP A 88 8.522 -14.278 -11.248 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.291 -13.504 -12.200 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.034 -15.408 -11.392 1.00 0.00 O ATOM 0 H ASP A 88 6.751 -12.671 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 88 6.334 -13.059 -10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.782 -12.968 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.393 -14.620 -9.139 1.00 0.00 H new ATOM 1362 N ASP A 89 6.298 -15.384 -8.319 1.00 0.00 N ATOM 1363 CA ASP A 89 5.599 -16.581 -7.867 1.00 0.00 C ATOM 1364 C ASP A 89 5.178 -16.446 -6.407 1.00 0.00 C ATOM 1365 O ASP A 89 4.413 -17.263 -5.894 1.00 0.00 O ATOM 1366 CB ASP A 89 6.488 -17.813 -8.042 1.00 0.00 C ATOM 1367 CG ASP A 89 6.479 -18.336 -9.465 1.00 0.00 C ATOM 1368 OD1 ASP A 89 5.408 -18.781 -9.926 1.00 0.00 O ATOM 1369 OD2 ASP A 89 7.544 -18.302 -10.117 1.00 0.00 O ATOM 0 H ASP A 89 7.133 -15.154 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 89 4.702 -16.700 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.510 -17.564 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.151 -18.600 -7.367 1.00 0.00 H new ATOM 1374 N GLU A 90 5.683 -15.411 -5.744 1.00 0.00 N ATOM 1375 CA GLU A 90 5.359 -15.171 -4.342 1.00 0.00 C ATOM 1376 C GLU A 90 4.425 -13.973 -4.197 1.00 0.00 C ATOM 1377 O GLU A 90 4.195 -13.232 -5.153 1.00 0.00 O ATOM 1378 CB GLU A 90 6.637 -14.936 -3.534 1.00 0.00 C ATOM 1379 CG GLU A 90 7.655 -16.056 -3.667 1.00 0.00 C ATOM 1380 CD GLU A 90 8.919 -15.793 -2.872 1.00 0.00 C ATOM 1381 OE1 GLU A 90 9.331 -14.617 -2.785 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.496 -16.762 -2.336 1.00 0.00 O ATOM 0 H GLU A 90 6.317 -14.726 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 90 4.851 -16.055 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.094 -14.001 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.375 -14.817 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.207 -16.991 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.912 -16.185 -4.718 1.00 0.00 H new ATOM 1389 N SER A 91 3.890 -13.790 -2.994 1.00 0.00 N ATOM 1390 CA SER A 91 2.978 -12.685 -2.723 1.00 0.00 C ATOM 1391 C SER A 91 3.132 -12.192 -1.288 1.00 0.00 C ATOM 1392 O SER A 91 3.257 -12.987 -0.357 1.00 0.00 O ATOM 1393 CB SER A 91 1.531 -13.117 -2.974 1.00 0.00 C ATOM 1394 OG SER A 91 1.303 -14.433 -2.500 1.00 0.00 O ATOM 0 H SER A 91 4.072 -14.393 -2.192 1.00 0.00 H new ATOM 0 HA SER A 91 3.228 -11.866 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.850 -12.425 -2.478 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.313 -13.068 -4.041 1.00 0.00 H new ATOM 0 HG SER A 91 0.371 -14.685 -2.670 1.00 0.00 H new ATOM 1400 N ALA A 92 3.122 -10.874 -1.117 1.00 0.00 N ATOM 1401 CA ALA A 92 3.259 -10.274 0.204 1.00 0.00 C ATOM 1402 C ALA A 92 1.914 -9.777 0.723 1.00 0.00 C ATOM 1403 O ALA A 92 1.251 -8.964 0.080 1.00 0.00 O ATOM 1404 CB ALA A 92 4.265 -9.133 0.164 1.00 0.00 C ATOM 0 H ALA A 92 3.020 -10.202 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 92 3.623 -11.041 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.357 -8.694 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.235 -9.514 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.925 -8.372 -0.538 1.00 0.00 H new ATOM 1410 N SER A 93 1.516 -10.273 1.891 1.00 0.00 N ATOM 1411 CA SER A 93 0.248 -9.882 2.495 1.00 0.00 C ATOM 1412 C SER A 93 0.406 -8.605 3.314 1.00 0.00 C ATOM 1413 O SER A 93 1.321 -8.485 4.128 1.00 0.00 O ATOM 1414 CB SER A 93 -0.287 -11.008 3.383 1.00 0.00 C ATOM 1415 OG SER A 93 -1.388 -10.567 4.158 1.00 0.00 O ATOM 0 H SER A 93 2.054 -10.946 2.437 1.00 0.00 H new ATOM 0 HA SER A 93 -0.464 -9.692 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.590 -11.852 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.506 -11.364 4.041 1.00 0.00 H new ATOM 0 HG SER A 93 -2.209 -10.993 3.832 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.494 -7.652 3.091 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.455 -6.382 3.807 1.00 0.00 C ATOM 1423 C PHE A 94 -1.847 -5.988 4.291 1.00 0.00 C ATOM 1424 O PHE A 94 -2.657 -5.461 3.528 1.00 0.00 O ATOM 1425 CB PHE A 94 0.115 -5.283 2.908 1.00 0.00 C ATOM 1426 CG PHE A 94 1.615 -5.203 2.935 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.382 -6.087 2.193 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.257 -4.245 3.703 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.762 -6.016 2.218 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.637 -4.169 3.730 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.391 -5.056 2.986 1.00 0.00 C ATOM 0 H PHE A 94 -1.258 -7.735 2.421 1.00 0.00 H new ATOM 0 HA PHE A 94 0.192 -6.503 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.213 -5.457 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.298 -4.322 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 94 1.896 -6.839 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.673 -3.550 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.349 -6.712 1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.125 -3.417 4.332 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.469 -4.999 3.005 1.00 0.00 H new ATOM 1441 N THR A 95 -2.119 -6.246 5.567 1.00 0.00 N ATOM 1442 CA THR A 95 -3.412 -5.921 6.154 1.00 0.00 C ATOM 1443 C THR A 95 -3.495 -4.443 6.518 1.00 0.00 C ATOM 1444 O THR A 95 -2.928 -4.007 7.520 1.00 0.00 O ATOM 1445 CB THR A 95 -3.686 -6.764 7.413 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.904 -8.132 7.050 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.897 -6.235 8.166 1.00 0.00 C ATOM 0 H THR A 95 -1.460 -6.680 6.213 1.00 0.00 H new ATOM 0 HA THR A 95 -4.167 -6.150 5.401 1.00 0.00 H new ATOM 0 HB THR A 95 -2.815 -6.696 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.076 -8.661 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.071 -6.847 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.716 -5.203 8.468 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.774 -6.275 7.519 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.205 -3.675 5.698 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.364 -2.245 5.934 1.00 0.00 C ATOM 1457 C VAL A 96 -5.800 -1.907 6.320 1.00 0.00 C ATOM 1458 O VAL A 96 -6.672 -1.779 5.460 1.00 0.00 O ATOM 1459 CB VAL A 96 -3.971 -1.423 4.692 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.123 0.065 4.966 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.548 -1.752 4.265 1.00 0.00 C ATOM 0 H VAL A 96 -4.680 -4.020 4.864 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.699 -1.985 6.758 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.642 -1.688 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.841 0.629 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.160 0.284 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.477 0.350 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.286 -1.163 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.861 -1.517 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.476 -2.813 4.025 1.00 0.00 H new ATOM 1471 N THR A 97 -6.039 -1.764 7.620 1.00 0.00 N ATOM 1472 CA THR A 97 -7.370 -1.442 8.120 1.00 0.00 C ATOM 1473 C THR A 97 -7.526 0.059 8.341 1.00 0.00 C ATOM 1474 O THR A 97 -6.637 0.712 8.887 1.00 0.00 O ATOM 1475 CB THR A 97 -7.666 -2.176 9.441 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.556 -3.591 9.250 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.059 -1.835 9.950 1.00 0.00 C ATOM 0 H THR A 97 -5.329 -1.866 8.345 1.00 0.00 H new ATOM 0 HA THR A 97 -8.081 -1.771 7.362 1.00 0.00 H new ATOM 0 HB THR A 97 -6.936 -1.851 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.744 -4.051 10.095 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.245 -2.365 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.131 -0.761 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.800 -2.134 9.209 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.662 0.600 7.912 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.936 2.024 8.065 1.00 0.00 C ATOM 1487 C VAL A 98 -10.149 2.258 8.957 1.00 0.00 C ATOM 1488 O VAL A 98 -11.174 1.589 8.820 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.177 2.698 6.701 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.238 4.210 6.856 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.094 2.298 5.710 1.00 0.00 C ATOM 0 H VAL A 98 -9.407 0.074 7.456 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.056 2.468 8.531 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.137 2.358 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.409 4.669 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.053 4.474 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.296 4.572 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.280 2.783 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.121 2.607 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.104 1.216 5.577 1.00 0.00 H new ATOM 1501 N THR A 99 -10.028 3.214 9.873 1.00 0.00 N ATOM 1502 CA THR A 99 -11.114 3.537 10.789 1.00 0.00 C ATOM 1503 C THR A 99 -11.463 5.019 10.728 1.00 0.00 C ATOM 1504 O THR A 99 -10.858 5.777 9.970 1.00 0.00 O ATOM 1505 CB THR A 99 -10.754 3.166 12.240 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.463 3.687 12.574 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.762 1.656 12.431 1.00 0.00 C ATOM 0 H THR A 99 -9.188 3.778 10.000 1.00 0.00 H new ATOM 0 HA THR A 99 -11.977 2.950 10.475 1.00 0.00 H new ATOM 0 HB THR A 99 -11.503 3.604 12.899 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.243 3.448 13.499 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.505 1.418 13.463 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.754 1.266 12.205 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.032 1.201 11.761 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.441 5.426 11.531 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.869 6.820 11.566 1.00 0.00 C ATOM 1517 C GLU A 100 -12.008 7.630 12.530 1.00 0.00 C ATOM 1518 O GLU A 100 -11.696 7.195 13.639 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.340 6.914 11.977 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.270 6.087 11.105 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.526 5.656 11.837 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -17.120 6.497 12.543 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -16.916 4.477 11.702 1.00 0.00 O ATOM 0 H GLU A 100 -12.951 4.811 12.165 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.751 7.235 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.441 6.588 13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.653 7.957 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.548 6.667 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.739 5.203 10.750 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.612 8.836 12.099 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.781 9.733 12.908 1.00 0.00 C ATOM 1532 C PRO A 101 -11.536 10.300 14.105 1.00 0.00 C ATOM 1533 O PRO A 101 -12.764 10.388 14.110 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.411 10.851 11.930 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.506 10.851 10.921 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.946 9.419 10.788 1.00 0.00 C ATOM 0 HA PRO A 101 -9.920 9.218 13.334 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.340 11.813 12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.443 10.665 11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.332 11.485 11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.156 11.242 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.012 9.344 10.575 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.423 8.912 9.978 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.786 10.695 15.145 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.364 11.262 16.367 1.00 0.00 C ATOM 1546 C PRO A 102 -11.955 12.649 16.140 1.00 0.00 C ATOM 1547 O PRO A 102 -11.938 13.167 15.023 1.00 0.00 O ATOM 1548 CB PRO A 102 -10.170 11.338 17.322 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.979 11.424 16.432 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.317 10.619 15.208 1.00 0.00 C ATOM 0 HA PRO A 102 -12.191 10.660 16.744 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.240 12.208 17.975 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.121 10.460 17.965 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.762 12.460 16.170 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.093 11.028 16.927 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.854 11.035 14.313 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.971 9.589 15.296 1.00 0.00 H new