USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=18 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 4:sc= 0.0333 USER MOD Set 1.2: A 85 CYS SG : rot 113:sc= 1.4 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -46:sc= -0.0893 USER MOD Single : A 47 THR OG1 : rot 3:sc= 1.15 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 62 GLN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0203) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.959 K(o=-0.96,f=-4.9!) USER MOD Single : A 80 SER OG : rot -76:sc= 1.17 USER MOD Single : A 83 TYR OH : rot 40:sc= 1.2 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 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 11.270 -14.258 -4.187 1.00 0.00 N ATOM 131 CA TRP A 13 11.342 -12.897 -4.708 1.00 0.00 C ATOM 132 C TRP A 13 11.179 -11.876 -3.588 1.00 0.00 C ATOM 133 O TRP A 13 12.055 -11.039 -3.367 1.00 0.00 O ATOM 134 CB TRP A 13 10.267 -12.680 -5.775 1.00 0.00 C ATOM 135 CG TRP A 13 10.672 -13.165 -7.134 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.144 -14.223 -7.817 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.691 -12.612 -7.973 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.774 -14.361 -9.030 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.726 -13.384 -9.150 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.576 -11.538 -7.845 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.612 -13.115 -10.190 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.455 -11.272 -8.878 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.467 -12.058 -10.039 1.00 0.00 C ATOM 0 HA TRP A 13 12.324 -12.758 -5.159 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.355 -13.193 -5.471 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.031 -11.617 -5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.348 -14.858 -7.457 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.566 -15.075 -9.728 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.573 -10.927 -6.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.624 -13.720 -11.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.144 -10.445 -8.789 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.165 -11.824 -10.829 1.00 0.00 H new ATOM 154 N ILE A 14 10.054 -11.949 -2.886 1.00 0.00 N ATOM 155 CA ILE A 14 9.777 -11.031 -1.788 1.00 0.00 C ATOM 156 C ILE A 14 10.728 -11.269 -0.620 1.00 0.00 C ATOM 157 O ILE A 14 10.484 -12.127 0.229 1.00 0.00 O ATOM 158 CB ILE A 14 8.326 -11.168 -1.291 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.345 -10.873 -2.426 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.080 -10.236 -0.114 1.00 0.00 C ATOM 161 CD1 ILE A 14 5.982 -11.499 -2.226 1.00 0.00 C ATOM 0 H ILE A 14 9.319 -12.635 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 14 9.925 -10.023 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 14 8.167 -12.193 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.229 -9.794 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.768 -11.234 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.050 -10.344 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.760 -10.490 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.254 -9.205 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.339 -11.248 -3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.085 -12.582 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.539 -11.119 -1.306 1.00 0.00 H new ATOM 173 N VAL A 15 11.813 -10.502 -0.581 1.00 0.00 N ATOM 174 CA VAL A 15 12.800 -10.627 0.485 1.00 0.00 C ATOM 175 C VAL A 15 12.259 -10.081 1.801 1.00 0.00 C ATOM 176 O VAL A 15 12.683 -10.498 2.880 1.00 0.00 O ATOM 177 CB VAL A 15 14.104 -9.887 0.132 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.868 -8.386 0.076 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.197 -10.226 1.135 1.00 0.00 C ATOM 0 H VAL A 15 12.031 -9.787 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 15 13.013 -11.690 0.596 1.00 0.00 H new ATOM 0 HB VAL A 15 14.432 -10.216 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.800 -7.880 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.119 -8.164 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.515 -8.037 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.111 -9.695 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.880 -9.927 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.384 -11.300 1.120 1.00 0.00 H new ATOM 189 N TYR A 16 11.320 -9.147 1.707 1.00 0.00 N ATOM 190 CA TYR A 16 10.722 -8.542 2.890 1.00 0.00 C ATOM 191 C TYR A 16 9.444 -7.789 2.531 1.00 0.00 C ATOM 192 O TYR A 16 9.320 -7.202 1.456 1.00 0.00 O ATOM 193 CB TYR A 16 11.715 -7.591 3.560 1.00 0.00 C ATOM 194 CG TYR A 16 11.062 -6.573 4.468 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.233 -5.584 3.952 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.273 -6.600 5.841 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.634 -4.652 4.777 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.677 -5.673 6.674 1.00 0.00 C ATOM 199 CZ TYR A 16 9.859 -4.701 6.137 1.00 0.00 C ATOM 200 OH TYR A 16 9.265 -3.774 6.963 1.00 0.00 O ATOM 0 H TYR A 16 10.956 -8.792 0.823 1.00 0.00 H new ATOM 0 HA TYR A 16 10.468 -9.342 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.430 -8.175 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.280 -7.068 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.054 -5.543 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.914 -7.359 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.993 -3.889 4.360 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.851 -5.709 7.739 1.00 0.00 H new ATOM 0 HH TYR A 16 9.525 -3.949 7.891 1.00 0.00 H new ATOM 210 N PRO A 17 8.470 -7.806 3.453 1.00 0.00 N ATOM 211 CA PRO A 17 8.606 -8.502 4.736 1.00 0.00 C ATOM 212 C PRO A 17 8.614 -10.018 4.575 1.00 0.00 C ATOM 213 O PRO A 17 8.324 -10.539 3.498 1.00 0.00 O ATOM 214 CB PRO A 17 7.367 -8.053 5.516 1.00 0.00 C ATOM 215 CG PRO A 17 6.370 -7.695 4.469 1.00 0.00 C ATOM 216 CD PRO A 17 7.160 -7.147 3.313 1.00 0.00 C ATOM 0 HA PRO A 17 9.548 -8.264 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.995 -8.849 6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.590 -7.201 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.791 -8.568 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.661 -6.956 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.691 -7.383 2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.248 -6.062 3.365 1.00 0.00 H new ATOM 224 N SER A 18 8.947 -10.721 5.653 1.00 0.00 N ATOM 225 CA SER A 18 8.996 -12.178 5.630 1.00 0.00 C ATOM 226 C SER A 18 7.811 -12.773 6.385 1.00 0.00 C ATOM 227 O SER A 18 7.981 -13.432 7.410 1.00 0.00 O ATOM 228 CB SER A 18 10.307 -12.675 6.242 1.00 0.00 C ATOM 229 OG SER A 18 10.487 -14.061 6.005 1.00 0.00 O ATOM 0 H SER A 18 9.187 -10.305 6.553 1.00 0.00 H new ATOM 0 HA SER A 18 8.943 -12.503 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.143 -12.119 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.307 -12.483 7.315 1.00 0.00 H new ATOM 0 HG SER A 18 11.332 -14.354 6.405 1.00 0.00 H new ATOM 235 N GLY A 19 6.609 -12.536 5.869 1.00 0.00 N ATOM 236 CA GLY A 19 5.412 -13.054 6.506 1.00 0.00 C ATOM 237 C GLY A 19 4.243 -12.094 6.412 1.00 0.00 C ATOM 238 O GLY A 19 4.089 -11.386 5.417 1.00 0.00 O ATOM 0 H GLY A 19 6.443 -11.994 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.138 -14.001 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.624 -13.262 7.555 1.00 0.00 H new ATOM 242 N LYS A 20 3.415 -12.070 7.451 1.00 0.00 N ATOM 243 CA LYS A 20 2.253 -11.190 7.483 1.00 0.00 C ATOM 244 C LYS A 20 2.568 -9.899 8.232 1.00 0.00 C ATOM 245 O LYS A 20 3.320 -9.903 9.207 1.00 0.00 O ATOM 246 CB LYS A 20 1.069 -11.899 8.144 1.00 0.00 C ATOM 247 CG LYS A 20 0.393 -12.920 7.245 1.00 0.00 C ATOM 248 CD LYS A 20 -1.040 -13.181 7.677 1.00 0.00 C ATOM 249 CE LYS A 20 -1.121 -14.319 8.684 1.00 0.00 C ATOM 250 NZ LYS A 20 -2.372 -14.259 9.489 1.00 0.00 N ATOM 0 H LYS A 20 3.527 -12.650 8.282 1.00 0.00 H new ATOM 0 HA LYS A 20 1.991 -10.938 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.414 -12.397 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.335 -11.154 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.404 -12.563 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.956 -13.853 7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.460 -12.275 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.646 -13.423 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.073 -15.273 8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.259 -14.277 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.389 -15.051 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.407 -13.360 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.195 -14.324 8.857 1.00 0.00 H new ATOM 264 N VAL A 21 1.987 -8.796 7.771 1.00 0.00 N ATOM 265 CA VAL A 21 2.204 -7.498 8.399 1.00 0.00 C ATOM 266 C VAL A 21 0.890 -6.746 8.574 1.00 0.00 C ATOM 267 O VAL A 21 0.062 -6.701 7.664 1.00 0.00 O ATOM 268 CB VAL A 21 3.174 -6.630 7.575 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.312 -5.248 8.194 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.530 -7.310 7.460 1.00 0.00 C ATOM 0 H VAL A 21 1.362 -8.775 6.965 1.00 0.00 H new ATOM 0 HA VAL A 21 2.643 -7.690 9.378 1.00 0.00 H new ATOM 0 HB VAL A 21 2.766 -6.512 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.001 -4.650 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.337 -4.761 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.697 -5.341 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.203 -6.683 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.948 -7.460 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.412 -8.275 6.967 1.00 0.00 H new ATOM 280 N TYR A 22 0.705 -6.155 9.749 1.00 0.00 N ATOM 281 CA TYR A 22 -0.510 -5.405 10.045 1.00 0.00 C ATOM 282 C TYR A 22 -0.239 -3.904 10.042 1.00 0.00 C ATOM 283 O TYR A 22 0.786 -3.445 10.548 1.00 0.00 O ATOM 284 CB TYR A 22 -1.079 -5.828 11.400 1.00 0.00 C ATOM 285 CG TYR A 22 -1.847 -7.130 11.355 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.269 -8.282 10.836 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.149 -7.208 11.832 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.968 -9.474 10.791 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.854 -8.395 11.793 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.260 -9.525 11.272 1.00 0.00 C ATOM 291 OH TYR A 22 -3.958 -10.710 11.231 1.00 0.00 O ATOM 0 H TYR A 22 1.381 -6.181 10.512 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.240 -5.626 9.266 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.261 -5.923 12.114 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.736 -5.041 11.770 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.257 -8.246 10.461 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.618 -6.325 12.240 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.505 -10.360 10.382 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.866 -8.438 12.169 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.852 -10.576 11.609 1.00 0.00 H new ATOM 301 N VAL A 23 -1.165 -3.143 9.467 1.00 0.00 N ATOM 302 CA VAL A 23 -1.028 -1.693 9.398 1.00 0.00 C ATOM 303 C VAL A 23 -2.367 -1.003 9.631 1.00 0.00 C ATOM 304 O VAL A 23 -3.317 -1.198 8.875 1.00 0.00 O ATOM 305 CB VAL A 23 -0.463 -1.246 8.037 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.290 0.265 8.000 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.856 -1.949 7.751 1.00 0.00 C ATOM 0 H VAL A 23 -2.018 -3.507 9.042 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.331 -1.404 10.185 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.174 -1.525 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.110 0.562 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.256 0.746 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.400 0.572 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.241 -1.621 6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.576 -1.703 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.697 -3.027 7.731 1.00 0.00 H new ATOM 317 N ALA A 24 -2.434 -0.194 10.684 1.00 0.00 N ATOM 318 CA ALA A 24 -3.656 0.528 11.016 1.00 0.00 C ATOM 319 C ALA A 24 -3.650 1.927 10.410 1.00 0.00 C ATOM 320 O ALA A 24 -2.667 2.659 10.526 1.00 0.00 O ATOM 321 CB ALA A 24 -3.830 0.605 12.526 1.00 0.00 C ATOM 0 H ALA A 24 -1.656 -0.022 11.321 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.498 -0.019 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.747 1.147 12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.889 -0.403 12.937 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.979 1.126 12.964 1.00 0.00 H new ATOM 327 N ALA A 25 -4.751 2.292 9.762 1.00 0.00 N ATOM 328 CA ALA A 25 -4.872 3.604 9.138 1.00 0.00 C ATOM 329 C ALA A 25 -6.155 4.302 9.574 1.00 0.00 C ATOM 330 O ALA A 25 -6.961 3.738 10.313 1.00 0.00 O ATOM 331 CB ALA A 25 -4.827 3.474 7.623 1.00 0.00 C ATOM 0 H ALA A 25 -5.573 1.697 9.655 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.029 4.214 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.918 4.461 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.880 3.024 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.650 2.843 7.287 1.00 0.00 H new ATOM 337 N VAL A 26 -6.339 5.535 9.111 1.00 0.00 N ATOM 338 CA VAL A 26 -7.525 6.311 9.453 1.00 0.00 C ATOM 339 C VAL A 26 -8.089 7.021 8.228 1.00 0.00 C ATOM 340 O VAL A 26 -7.375 7.263 7.254 1.00 0.00 O ATOM 341 CB VAL A 26 -7.218 7.356 10.542 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.469 7.671 11.348 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.099 6.866 11.449 1.00 0.00 C ATOM 0 H VAL A 26 -5.682 6.017 8.498 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.264 5.607 9.834 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.887 8.274 10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.233 8.411 12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.239 8.067 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.834 6.761 11.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.895 7.616 12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.400 5.934 11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.199 6.696 10.858 1.00 0.00 H new ATOM 353 N ARG A 27 -9.374 7.354 8.282 1.00 0.00 N ATOM 354 CA ARG A 27 -10.035 8.037 7.176 1.00 0.00 C ATOM 355 C ARG A 27 -9.149 9.145 6.615 1.00 0.00 C ATOM 356 O ARG A 27 -8.883 10.142 7.288 1.00 0.00 O ATOM 357 CB ARG A 27 -11.372 8.621 7.635 1.00 0.00 C ATOM 358 CG ARG A 27 -12.371 8.815 6.506 1.00 0.00 C ATOM 359 CD ARG A 27 -13.804 8.706 7.005 1.00 0.00 C ATOM 360 NE ARG A 27 -14.273 9.955 7.599 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.555 10.292 7.685 1.00 0.00 C ATOM 362 NH1 ARG A 27 -16.491 9.476 7.220 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.903 11.446 8.239 1.00 0.00 N ATOM 0 H ARG A 27 -9.979 7.162 9.080 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.217 7.307 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.808 7.962 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.193 9.581 8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.218 9.792 6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.196 8.068 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.457 8.431 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.871 7.906 7.742 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.578 10.604 7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -16.227 8.587 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.475 9.737 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.186 12.075 8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -16.888 11.704 8.305 1.00 0.00 H new ATOM 377 N LEU A 28 -8.695 8.965 5.380 1.00 0.00 N ATOM 378 CA LEU A 28 -7.839 9.949 4.728 1.00 0.00 C ATOM 379 C LEU A 28 -6.488 10.047 5.430 1.00 0.00 C ATOM 380 O LEU A 28 -5.987 11.142 5.681 1.00 0.00 O ATOM 381 CB LEU A 28 -8.521 11.318 4.715 1.00 0.00 C ATOM 382 CG LEU A 28 -9.969 11.342 4.227 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.623 12.675 4.559 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.032 11.074 2.730 1.00 0.00 C ATOM 0 H LEU A 28 -8.906 8.146 4.810 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.671 9.624 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.493 11.725 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.935 11.987 4.085 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.518 10.553 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.653 12.673 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.611 12.827 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.073 13.481 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.071 11.095 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.467 11.840 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.603 10.095 2.517 1.00 0.00 H new ATOM 396 N GLU A 29 -5.905 8.894 5.744 1.00 0.00 N ATOM 397 CA GLU A 29 -4.612 8.851 6.416 1.00 0.00 C ATOM 398 C GLU A 29 -3.492 8.552 5.424 1.00 0.00 C ATOM 399 O GLU A 29 -3.730 7.990 4.354 1.00 0.00 O ATOM 400 CB GLU A 29 -4.623 7.795 7.524 1.00 0.00 C ATOM 401 CG GLU A 29 -3.305 7.685 8.272 1.00 0.00 C ATOM 402 CD GLU A 29 -3.022 8.898 9.137 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.205 10.031 8.646 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.618 8.714 10.304 1.00 0.00 O ATOM 0 H GLU A 29 -6.307 7.978 5.544 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.429 9.830 6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.415 8.033 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.866 6.826 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.320 6.793 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.494 7.558 7.555 1.00 0.00 H new ATOM 411 N ARG A 30 -2.271 8.931 5.786 1.00 0.00 N ATOM 412 CA ARG A 30 -1.115 8.705 4.928 1.00 0.00 C ATOM 413 C ARG A 30 -0.307 7.503 5.409 1.00 0.00 C ATOM 414 O ARG A 30 0.452 7.597 6.373 1.00 0.00 O ATOM 415 CB ARG A 30 -0.226 9.950 4.895 1.00 0.00 C ATOM 416 CG ARG A 30 0.993 9.805 3.999 1.00 0.00 C ATOM 417 CD ARG A 30 2.171 9.209 4.754 1.00 0.00 C ATOM 418 NE ARG A 30 3.431 9.401 4.040 1.00 0.00 N ATOM 419 CZ ARG A 30 4.130 10.530 4.072 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.694 11.564 4.779 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.267 10.628 3.396 1.00 0.00 N ATOM 0 H ARG A 30 -2.057 9.396 6.668 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.477 8.498 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.818 10.800 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.104 10.177 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.747 9.171 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.271 10.781 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.239 9.668 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.001 8.144 4.909 1.00 0.00 H new ATOM 0 HE ARG A 30 3.794 8.625 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.820 11.493 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.233 12.430 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.606 9.836 2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.802 11.496 3.422 1.00 0.00 H new ATOM 435 N VAL A 31 -0.477 6.372 4.730 1.00 0.00 N ATOM 436 CA VAL A 31 0.236 5.152 5.087 1.00 0.00 C ATOM 437 C VAL A 31 1.437 4.930 4.175 1.00 0.00 C ATOM 438 O VAL A 31 1.519 5.502 3.088 1.00 0.00 O ATOM 439 CB VAL A 31 -0.686 3.920 5.011 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.876 4.086 5.944 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.149 3.689 3.580 1.00 0.00 C ATOM 0 H VAL A 31 -1.102 6.276 3.930 1.00 0.00 H new ATOM 0 HA VAL A 31 0.581 5.276 6.114 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.122 3.045 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.516 3.206 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.522 4.200 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.444 4.971 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.799 2.815 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.697 4.563 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.283 3.523 2.940 1.00 0.00 H new ATOM 451 N VAL A 32 2.369 4.095 4.625 1.00 0.00 N ATOM 452 CA VAL A 32 3.566 3.796 3.849 1.00 0.00 C ATOM 453 C VAL A 32 3.938 2.322 3.958 1.00 0.00 C ATOM 454 O VAL A 32 4.455 1.874 4.983 1.00 0.00 O ATOM 455 CB VAL A 32 4.762 4.651 4.310 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.024 4.252 3.561 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.464 6.130 4.120 1.00 0.00 C ATOM 0 H VAL A 32 2.317 3.614 5.523 1.00 0.00 H new ATOM 0 HA VAL A 32 3.337 4.034 2.810 1.00 0.00 H new ATOM 0 HB VAL A 32 4.927 4.471 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.858 4.867 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.245 3.202 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.875 4.401 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.319 6.719 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.272 6.330 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.587 6.403 4.707 1.00 0.00 H new ATOM 467 N LEU A 33 3.671 1.570 2.895 1.00 0.00 N ATOM 468 CA LEU A 33 3.978 0.144 2.870 1.00 0.00 C ATOM 469 C LEU A 33 5.444 -0.091 2.523 1.00 0.00 C ATOM 470 O LEU A 33 6.000 0.571 1.646 1.00 0.00 O ATOM 471 CB LEU A 33 3.081 -0.573 1.860 1.00 0.00 C ATOM 472 CG LEU A 33 1.771 -1.140 2.409 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.086 -0.124 3.310 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.850 -1.554 1.271 1.00 0.00 C ATOM 0 H LEU A 33 3.243 1.924 2.040 1.00 0.00 H new ATOM 0 HA LEU A 33 3.790 -0.261 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.843 0.124 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.649 -1.390 1.416 1.00 0.00 H new ATOM 0 HG LEU A 33 2.001 -2.025 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.156 -0.545 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.742 0.122 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.869 0.780 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.077 -1.955 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.627 -0.687 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.339 -2.317 0.666 1.00 0.00 H new ATOM 486 N THR A 34 6.066 -1.042 3.214 1.00 0.00 N ATOM 487 CA THR A 34 7.467 -1.366 2.978 1.00 0.00 C ATOM 488 C THR A 34 7.614 -2.754 2.366 1.00 0.00 C ATOM 489 O THR A 34 7.249 -3.756 2.982 1.00 0.00 O ATOM 490 CB THR A 34 8.286 -1.302 4.281 1.00 0.00 C ATOM 491 OG1 THR A 34 8.075 -0.044 4.931 1.00 0.00 O ATOM 492 CG2 THR A 34 9.768 -1.491 3.999 1.00 0.00 C ATOM 0 H THR A 34 5.621 -1.601 3.942 1.00 0.00 H new ATOM 0 HA THR A 34 7.851 -0.622 2.280 1.00 0.00 H new ATOM 0 HB THR A 34 7.952 -2.108 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.598 -0.012 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.326 -1.442 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.928 -2.463 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.114 -0.704 3.329 1.00 0.00 H new ATOM 500 N CYS A 35 8.152 -2.807 1.153 1.00 0.00 N ATOM 501 CA CYS A 35 8.348 -4.074 0.457 1.00 0.00 C ATOM 502 C CYS A 35 9.672 -4.080 -0.299 1.00 0.00 C ATOM 503 O CYS A 35 9.813 -3.419 -1.328 1.00 0.00 O ATOM 504 CB CYS A 35 7.192 -4.332 -0.511 1.00 0.00 C ATOM 505 SG CYS A 35 6.839 -6.083 -0.788 1.00 0.00 S ATOM 0 H CYS A 35 8.461 -1.987 0.631 1.00 0.00 H new ATOM 0 HA CYS A 35 8.373 -4.869 1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.295 -3.848 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.422 -3.863 -1.468 1.00 0.00 H new ATOM 0 HG CYS A 35 7.608 -6.806 -0.029 1.00 0.00 H new ATOM 511 N GLU A 36 10.640 -4.829 0.219 1.00 0.00 N ATOM 512 CA GLU A 36 11.954 -4.918 -0.408 1.00 0.00 C ATOM 513 C GLU A 36 12.044 -6.144 -1.312 1.00 0.00 C ATOM 514 O GLU A 36 11.225 -7.059 -1.220 1.00 0.00 O ATOM 515 CB GLU A 36 13.049 -4.977 0.660 1.00 0.00 C ATOM 516 CG GLU A 36 14.456 -4.863 0.096 1.00 0.00 C ATOM 517 CD GLU A 36 15.424 -4.221 1.070 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.100 -3.141 1.605 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.508 -4.800 1.296 1.00 0.00 O ATOM 0 H GLU A 36 10.540 -5.382 1.070 1.00 0.00 H new ATOM 0 HA GLU A 36 12.098 -4.027 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.888 -4.173 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.961 -5.915 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.819 -5.856 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.429 -4.277 -0.823 1.00 0.00 H new ATOM 526 N LEU A 37 13.044 -6.155 -2.186 1.00 0.00 N ATOM 527 CA LEU A 37 13.242 -7.267 -3.109 1.00 0.00 C ATOM 528 C LEU A 37 14.710 -7.678 -3.160 1.00 0.00 C ATOM 529 O LEU A 37 15.595 -6.899 -2.804 1.00 0.00 O ATOM 530 CB LEU A 37 12.758 -6.887 -4.509 1.00 0.00 C ATOM 531 CG LEU A 37 11.334 -6.335 -4.600 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.003 -5.947 -6.033 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.333 -7.355 -4.077 1.00 0.00 C ATOM 0 H LEU A 37 13.731 -5.406 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 37 12.659 -8.114 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.441 -6.143 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.826 -7.768 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 37 11.270 -5.441 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.986 -5.556 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.701 -5.182 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.084 -6.824 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.325 -6.946 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.398 -8.266 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.558 -7.584 -3.035 1.00 0.00 H new ATOM 545 N CYS A 38 14.961 -8.903 -3.608 1.00 0.00 N ATOM 546 CA CYS A 38 16.323 -9.416 -3.708 1.00 0.00 C ATOM 547 C CYS A 38 16.955 -9.025 -5.039 1.00 0.00 C ATOM 548 O CYS A 38 18.035 -9.502 -5.389 1.00 0.00 O ATOM 549 CB CYS A 38 16.329 -10.938 -3.554 1.00 0.00 C ATOM 550 SG CYS A 38 17.944 -11.631 -3.132 1.00 0.00 S ATOM 0 H CYS A 38 14.240 -9.559 -3.908 1.00 0.00 H new ATOM 0 HA CYS A 38 16.911 -8.974 -2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.613 -11.217 -2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.985 -11.388 -4.485 1.00 0.00 H new ATOM 0 HG CYS A 38 18.855 -11.103 -3.894 1.00 0.00 H new ATOM 556 N ARG A 39 16.275 -8.155 -5.778 1.00 0.00 N ATOM 557 CA ARG A 39 16.769 -7.702 -7.073 1.00 0.00 C ATOM 558 C ARG A 39 16.376 -6.249 -7.327 1.00 0.00 C ATOM 559 O ARG A 39 15.258 -5.823 -7.034 1.00 0.00 O ATOM 560 CB ARG A 39 16.223 -8.592 -8.191 1.00 0.00 C ATOM 561 CG ARG A 39 17.108 -9.786 -8.506 1.00 0.00 C ATOM 562 CD ARG A 39 18.429 -9.353 -9.122 1.00 0.00 C ATOM 563 NE ARG A 39 19.264 -10.495 -9.487 1.00 0.00 N ATOM 564 CZ ARG A 39 20.134 -11.064 -8.660 1.00 0.00 C ATOM 565 NH1 ARG A 39 20.282 -10.599 -7.427 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.857 -12.100 -9.065 1.00 0.00 N ATOM 0 H ARG A 39 15.381 -7.750 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 39 17.857 -7.770 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.233 -8.949 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.101 -7.993 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.299 -10.350 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.588 -10.455 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.235 -8.748 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.968 -8.721 -8.416 1.00 0.00 H new ATOM 0 HE ARG A 39 19.174 -10.876 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.727 -9.803 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.951 -11.037 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.745 -12.461 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.525 -12.536 -8.429 1.00 0.00 H new ATOM 580 N PRO A 40 17.315 -5.470 -7.883 1.00 0.00 N ATOM 581 CA PRO A 40 17.090 -4.054 -8.189 1.00 0.00 C ATOM 582 C PRO A 40 16.106 -3.858 -9.337 1.00 0.00 C ATOM 583 O PRO A 40 15.160 -3.078 -9.230 1.00 0.00 O ATOM 584 CB PRO A 40 18.480 -3.551 -8.583 1.00 0.00 C ATOM 585 CG PRO A 40 19.197 -4.763 -9.071 1.00 0.00 C ATOM 586 CD PRO A 40 18.668 -5.912 -8.259 1.00 0.00 C ATOM 0 HA PRO A 40 16.652 -3.519 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.420 -2.788 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.994 -3.102 -7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 40 19.017 -4.921 -10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.274 -4.657 -8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.643 -6.835 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.287 -6.103 -7.382 1.00 0.00 H new ATOM 594 N TRP A 41 16.336 -4.570 -10.435 1.00 0.00 N ATOM 595 CA TRP A 41 15.469 -4.474 -11.604 1.00 0.00 C ATOM 596 C TRP A 41 14.291 -5.435 -11.488 1.00 0.00 C ATOM 597 O TRP A 41 13.791 -5.941 -12.492 1.00 0.00 O ATOM 598 CB TRP A 41 16.262 -4.769 -12.878 1.00 0.00 C ATOM 599 CG TRP A 41 17.360 -5.770 -12.676 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.691 -5.507 -12.527 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.219 -7.193 -12.602 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.387 -6.681 -12.366 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.507 -7.729 -12.407 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.131 -8.066 -12.679 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.733 -9.098 -12.290 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.357 -9.424 -12.564 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.649 -9.930 -12.370 1.00 0.00 C ATOM 0 H TRP A 41 17.115 -5.220 -10.540 1.00 0.00 H new ATOM 0 HA TRP A 41 15.080 -3.457 -11.655 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.580 -5.138 -13.644 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.691 -3.840 -13.253 1.00 0.00 H new ATOM 0 HD1 TRP A 41 19.132 -4.521 -12.535 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.396 -6.759 -12.237 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.131 -7.686 -12.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.728 -9.490 -12.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.523 -10.108 -12.625 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.792 -10.997 -12.282 1.00 0.00 H new ATOM 618 N ALA A 42 13.853 -5.681 -10.258 1.00 0.00 N ATOM 619 CA ALA A 42 12.732 -6.580 -10.013 1.00 0.00 C ATOM 620 C ALA A 42 11.415 -5.812 -9.955 1.00 0.00 C ATOM 621 O ALA A 42 11.202 -4.995 -9.060 1.00 0.00 O ATOM 622 CB ALA A 42 12.950 -7.355 -8.722 1.00 0.00 C ATOM 0 H ALA A 42 14.257 -5.271 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 42 12.675 -7.285 -10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.105 -8.022 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.866 -7.941 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.035 -6.657 -7.889 1.00 0.00 H new ATOM 628 N GLU A 43 10.536 -6.081 -10.916 1.00 0.00 N ATOM 629 CA GLU A 43 9.241 -5.413 -10.974 1.00 0.00 C ATOM 630 C GLU A 43 8.193 -6.189 -10.182 1.00 0.00 C ATOM 631 O GLU A 43 8.155 -7.419 -10.219 1.00 0.00 O ATOM 632 CB GLU A 43 8.787 -5.258 -12.427 1.00 0.00 C ATOM 633 CG GLU A 43 9.603 -4.248 -13.216 1.00 0.00 C ATOM 634 CD GLU A 43 9.582 -4.519 -14.707 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.963 -5.637 -15.113 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.186 -3.612 -15.469 1.00 0.00 O ATOM 0 H GLU A 43 10.697 -6.756 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 43 9.350 -4.425 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.847 -6.227 -12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.740 -4.957 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.216 -3.247 -13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.634 -4.263 -12.862 1.00 0.00 H new ATOM 643 N VAL A 44 7.343 -5.461 -9.464 1.00 0.00 N ATOM 644 CA VAL A 44 6.294 -6.080 -8.663 1.00 0.00 C ATOM 645 C VAL A 44 4.921 -5.537 -9.042 1.00 0.00 C ATOM 646 O VAL A 44 4.810 -4.584 -9.814 1.00 0.00 O ATOM 647 CB VAL A 44 6.528 -5.850 -7.158 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.915 -6.324 -6.754 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.334 -4.382 -6.807 1.00 0.00 C ATOM 0 H VAL A 44 7.361 -4.442 -9.421 1.00 0.00 H new ATOM 0 HA VAL A 44 6.328 -7.150 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 44 5.795 -6.433 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.062 -6.153 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.012 -7.388 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.667 -5.771 -7.317 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.503 -4.238 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.042 -3.776 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.317 -4.079 -7.057 1.00 0.00 H new ATOM 659 N ARG A 45 3.876 -6.149 -8.493 1.00 0.00 N ATOM 660 CA ARG A 45 2.510 -5.727 -8.774 1.00 0.00 C ATOM 661 C ARG A 45 1.619 -5.918 -7.549 1.00 0.00 C ATOM 662 O ARG A 45 1.534 -7.014 -6.997 1.00 0.00 O ATOM 663 CB ARG A 45 1.943 -6.514 -9.957 1.00 0.00 C ATOM 664 CG ARG A 45 0.450 -6.315 -10.163 1.00 0.00 C ATOM 665 CD ARG A 45 -0.054 -7.087 -11.371 1.00 0.00 C ATOM 666 NE ARG A 45 0.274 -8.508 -11.288 1.00 0.00 N ATOM 667 CZ ARG A 45 0.190 -9.343 -12.318 1.00 0.00 C ATOM 668 NH1 ARG A 45 -0.209 -8.902 -13.503 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.506 -10.623 -12.163 1.00 0.00 N ATOM 0 H ARG A 45 3.950 -6.938 -7.851 1.00 0.00 H new ATOM 0 HA ARG A 45 2.529 -4.667 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.469 -6.218 -10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.142 -7.575 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.088 -6.640 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.238 -5.254 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.135 -6.968 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.382 -6.667 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 45 0.584 -8.880 -10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.452 -7.919 -13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.272 -9.546 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.813 -10.966 -11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.441 -11.264 -12.954 1.00 0.00 H new ATOM 683 N TRP A 46 0.960 -4.843 -7.131 1.00 0.00 N ATOM 684 CA TRP A 46 0.076 -4.893 -5.972 1.00 0.00 C ATOM 685 C TRP A 46 -1.341 -5.276 -6.383 1.00 0.00 C ATOM 686 O TRP A 46 -1.887 -4.736 -7.346 1.00 0.00 O ATOM 687 CB TRP A 46 0.065 -3.541 -5.256 1.00 0.00 C ATOM 688 CG TRP A 46 1.428 -3.079 -4.837 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.365 -2.472 -5.624 1.00 0.00 C ATOM 690 CD2 TRP A 46 2.007 -3.189 -3.532 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.492 -2.198 -4.887 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.297 -2.627 -3.600 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.561 -3.705 -2.313 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.143 -2.569 -2.496 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.402 -3.647 -1.218 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.680 -3.082 -1.315 1.00 0.00 C ATOM 0 H TRP A 46 1.021 -3.927 -7.577 1.00 0.00 H new ATOM 0 HA TRP A 46 0.454 -5.655 -5.290 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.378 -2.793 -5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.574 -3.609 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.239 -2.241 -6.671 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.337 -1.748 -5.240 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.577 -4.141 -2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.129 -2.135 -2.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.068 -4.044 -0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.313 -3.051 -0.440 1.00 0.00 H new ATOM 707 N THR A 47 -1.934 -6.211 -5.647 1.00 0.00 N ATOM 708 CA THR A 47 -3.288 -6.667 -5.936 1.00 0.00 C ATOM 709 C THR A 47 -4.201 -6.475 -4.731 1.00 0.00 C ATOM 710 O THR A 47 -3.895 -6.927 -3.628 1.00 0.00 O ATOM 711 CB THR A 47 -3.305 -8.151 -6.348 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.588 -8.934 -5.387 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.686 -8.338 -7.725 1.00 0.00 C ATOM 0 H THR A 47 -1.497 -6.667 -4.846 1.00 0.00 H new ATOM 0 HA THR A 47 -3.655 -6.063 -6.766 1.00 0.00 H new ATOM 0 HB THR A 47 -4.343 -8.483 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.291 -8.358 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.709 -9.394 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.251 -7.764 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.653 -7.990 -7.710 1.00 0.00 H new ATOM 721 N LYS A 48 -5.326 -5.801 -4.949 1.00 0.00 N ATOM 722 CA LYS A 48 -6.287 -5.551 -3.881 1.00 0.00 C ATOM 723 C LYS A 48 -7.540 -6.400 -4.067 1.00 0.00 C ATOM 724 O LYS A 48 -8.430 -6.048 -4.841 1.00 0.00 O ATOM 725 CB LYS A 48 -6.663 -4.068 -3.844 1.00 0.00 C ATOM 726 CG LYS A 48 -7.023 -3.566 -2.456 1.00 0.00 C ATOM 727 CD LYS A 48 -8.515 -3.679 -2.191 1.00 0.00 C ATOM 728 CE LYS A 48 -8.901 -3.005 -0.883 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.193 -3.523 -0.354 1.00 0.00 N ATOM 0 H LYS A 48 -5.594 -5.418 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.821 -5.826 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.829 -3.481 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.507 -3.899 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.475 -4.139 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.712 -2.527 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.067 -3.224 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.801 -4.730 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.115 -3.167 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.977 -1.929 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.422 -3.039 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.948 -3.346 -1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.113 -4.546 -0.183 1.00 0.00 H new ATOM 743 N ASP A 49 -7.604 -7.517 -3.351 1.00 0.00 N ATOM 744 CA ASP A 49 -8.749 -8.415 -3.435 1.00 0.00 C ATOM 745 C ASP A 49 -8.719 -9.214 -4.734 1.00 0.00 C ATOM 746 O ASP A 49 -9.755 -9.663 -5.223 1.00 0.00 O ATOM 747 CB ASP A 49 -10.054 -7.622 -3.340 1.00 0.00 C ATOM 748 CG ASP A 49 -11.187 -8.440 -2.752 1.00 0.00 C ATOM 749 OD1 ASP A 49 -10.956 -9.131 -1.738 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.305 -8.391 -3.307 1.00 0.00 O ATOM 0 H ASP A 49 -6.876 -7.822 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.695 -9.112 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.893 -6.736 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.338 -7.275 -4.333 1.00 0.00 H new ATOM 755 N GLY A 50 -7.524 -9.387 -5.290 1.00 0.00 N ATOM 756 CA GLY A 50 -7.381 -10.131 -6.528 1.00 0.00 C ATOM 757 C GLY A 50 -7.141 -9.228 -7.722 1.00 0.00 C ATOM 758 O GLY A 50 -6.429 -9.599 -8.654 1.00 0.00 O ATOM 0 H GLY A 50 -6.652 -9.025 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.551 -10.832 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.280 -10.723 -6.699 1.00 0.00 H new ATOM 762 N GLU A 51 -7.739 -8.041 -7.694 1.00 0.00 N ATOM 763 CA GLU A 51 -7.588 -7.085 -8.785 1.00 0.00 C ATOM 764 C GLU A 51 -6.294 -6.290 -8.636 1.00 0.00 C ATOM 765 O GLU A 51 -5.855 -6.003 -7.523 1.00 0.00 O ATOM 766 CB GLU A 51 -8.784 -6.131 -8.826 1.00 0.00 C ATOM 767 CG GLU A 51 -8.668 -4.968 -7.854 1.00 0.00 C ATOM 768 CD GLU A 51 -9.691 -3.881 -8.121 1.00 0.00 C ATOM 769 OE1 GLU A 51 -10.026 -3.661 -9.304 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.156 -3.251 -7.148 1.00 0.00 O ATOM 0 H GLU A 51 -8.332 -7.719 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.546 -7.643 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.891 -5.739 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.692 -6.691 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.792 -5.337 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.666 -4.543 -7.919 1.00 0.00 H new ATOM 777 N GLU A 52 -5.689 -5.939 -9.766 1.00 0.00 N ATOM 778 CA GLU A 52 -4.444 -5.178 -9.761 1.00 0.00 C ATOM 779 C GLU A 52 -4.718 -3.689 -9.573 1.00 0.00 C ATOM 780 O GLU A 52 -5.264 -3.029 -10.457 1.00 0.00 O ATOM 781 CB GLU A 52 -3.677 -5.406 -11.065 1.00 0.00 C ATOM 782 CG GLU A 52 -2.494 -4.470 -11.246 1.00 0.00 C ATOM 783 CD GLU A 52 -2.019 -4.401 -12.685 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.838 -4.651 -13.593 1.00 0.00 O ATOM 785 OE2 GLU A 52 -0.827 -4.096 -12.902 1.00 0.00 O ATOM 0 H GLU A 52 -6.040 -6.169 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.837 -5.527 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.322 -6.436 -11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.360 -5.281 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.772 -3.471 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.672 -4.802 -10.612 1.00 0.00 H new ATOM 792 N VAL A 53 -4.334 -3.165 -8.412 1.00 0.00 N ATOM 793 CA VAL A 53 -4.537 -1.754 -8.106 1.00 0.00 C ATOM 794 C VAL A 53 -3.991 -0.867 -9.219 1.00 0.00 C ATOM 795 O VAL A 53 -2.879 -1.074 -9.705 1.00 0.00 O ATOM 796 CB VAL A 53 -3.862 -1.366 -6.777 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.425 -2.192 -5.631 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.354 -1.535 -6.877 1.00 0.00 C ATOM 0 H VAL A 53 -3.881 -3.697 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.612 -1.600 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.074 -0.316 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.936 -1.904 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.497 -2.015 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.246 -3.250 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.893 -1.256 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.119 -2.575 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.968 -0.895 -7.670 1.00 0.00 H new ATOM 808 N VAL A 54 -4.781 0.125 -9.619 1.00 0.00 N ATOM 809 CA VAL A 54 -4.377 1.046 -10.674 1.00 0.00 C ATOM 810 C VAL A 54 -4.112 2.439 -10.115 1.00 0.00 C ATOM 811 O VAL A 54 -4.889 2.954 -9.311 1.00 0.00 O ATOM 812 CB VAL A 54 -5.449 1.142 -11.776 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.713 1.793 -11.237 1.00 0.00 C ATOM 814 CG2 VAL A 54 -4.913 1.911 -12.975 1.00 0.00 C ATOM 0 H VAL A 54 -5.705 0.311 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.458 0.650 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.700 0.133 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.458 1.852 -12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.106 1.197 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.482 2.797 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.683 1.969 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.632 2.918 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.039 1.398 -13.375 1.00 0.00 H new ATOM 824 N GLU A 55 -3.011 3.045 -10.548 1.00 0.00 N ATOM 825 CA GLU A 55 -2.644 4.380 -10.089 1.00 0.00 C ATOM 826 C GLU A 55 -3.867 5.290 -10.030 1.00 0.00 C ATOM 827 O GLU A 55 -4.820 5.118 -10.790 1.00 0.00 O ATOM 828 CB GLU A 55 -1.586 4.988 -11.013 1.00 0.00 C ATOM 829 CG GLU A 55 -0.161 4.646 -10.615 1.00 0.00 C ATOM 830 CD GLU A 55 0.788 4.630 -11.798 1.00 0.00 C ATOM 831 OE1 GLU A 55 1.365 5.693 -12.110 1.00 0.00 O ATOM 832 OE2 GLU A 55 0.954 3.555 -12.411 1.00 0.00 O ATOM 0 H GLU A 55 -2.358 2.634 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.231 4.290 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.763 4.642 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.702 6.072 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.191 5.371 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.148 3.670 -10.130 1.00 0.00 H new ATOM 839 N SER A 56 -3.833 6.259 -9.120 1.00 0.00 N ATOM 840 CA SER A 56 -4.939 7.194 -8.957 1.00 0.00 C ATOM 841 C SER A 56 -4.567 8.313 -7.990 1.00 0.00 C ATOM 842 O SER A 56 -3.576 8.237 -7.264 1.00 0.00 O ATOM 843 CB SER A 56 -6.184 6.461 -8.453 1.00 0.00 C ATOM 844 OG SER A 56 -5.833 5.269 -7.772 1.00 0.00 O ATOM 0 H SER A 56 -3.051 6.416 -8.485 1.00 0.00 H new ATOM 0 HA SER A 56 -5.155 7.636 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.748 7.112 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.836 6.225 -9.294 1.00 0.00 H new ATOM 0 HG SER A 56 -6.646 4.820 -7.459 1.00 0.00 H new ATOM 850 N PRO A 57 -5.381 9.380 -7.978 1.00 0.00 N ATOM 851 CA PRO A 57 -5.159 10.536 -7.105 1.00 0.00 C ATOM 852 C PRO A 57 -5.406 10.208 -5.636 1.00 0.00 C ATOM 853 O PRO A 57 -5.348 11.087 -4.776 1.00 0.00 O ATOM 854 CB PRO A 57 -6.182 11.559 -7.604 1.00 0.00 C ATOM 855 CG PRO A 57 -7.261 10.743 -8.227 1.00 0.00 C ATOM 856 CD PRO A 57 -6.581 9.538 -8.817 1.00 0.00 C ATOM 0 HA PRO A 57 -4.128 10.888 -7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.567 12.165 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.737 12.244 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.004 10.448 -7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.785 11.311 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.220 8.656 -8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.322 9.695 -9.864 1.00 0.00 H new ATOM 864 N ALA A 58 -5.681 8.939 -5.356 1.00 0.00 N ATOM 865 CA ALA A 58 -5.935 8.496 -3.990 1.00 0.00 C ATOM 866 C ALA A 58 -4.984 7.372 -3.593 1.00 0.00 C ATOM 867 O ALA A 58 -4.898 7.003 -2.421 1.00 0.00 O ATOM 868 CB ALA A 58 -7.380 8.044 -3.842 1.00 0.00 C ATOM 0 H ALA A 58 -5.734 8.199 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.760 9.339 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.556 7.716 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.047 8.874 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.575 7.218 -4.526 1.00 0.00 H new ATOM 874 N LEU A 59 -4.272 6.830 -4.575 1.00 0.00 N ATOM 875 CA LEU A 59 -3.326 5.747 -4.327 1.00 0.00 C ATOM 876 C LEU A 59 -2.010 5.996 -5.056 1.00 0.00 C ATOM 877 O LEU A 59 -1.897 5.751 -6.258 1.00 0.00 O ATOM 878 CB LEU A 59 -3.924 4.411 -4.772 1.00 0.00 C ATOM 879 CG LEU A 59 -3.009 3.192 -4.648 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.822 1.943 -4.345 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.194 3.005 -5.919 1.00 0.00 C ATOM 0 H LEU A 59 -4.332 7.123 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.125 5.710 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.824 4.226 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.234 4.503 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.320 3.362 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.154 1.086 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.360 2.078 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.535 1.769 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.549 2.133 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.866 2.858 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.582 3.890 -6.092 1.00 0.00 H new ATOM 893 N LEU A 60 -1.016 6.483 -4.321 1.00 0.00 N ATOM 894 CA LEU A 60 0.295 6.763 -4.896 1.00 0.00 C ATOM 895 C LEU A 60 1.219 5.557 -4.758 1.00 0.00 C ATOM 896 O LEU A 60 1.369 4.997 -3.671 1.00 0.00 O ATOM 897 CB LEU A 60 0.922 7.981 -4.216 1.00 0.00 C ATOM 898 CG LEU A 60 0.070 9.250 -4.194 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.745 10.333 -3.367 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.191 9.743 -5.610 1.00 0.00 C ATOM 0 H LEU A 60 -1.093 6.692 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 60 0.162 6.975 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.165 7.713 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.863 8.208 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.888 9.012 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.123 11.228 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.879 9.980 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.717 10.568 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.799 10.647 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.758 9.963 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.719 8.973 -6.172 1.00 0.00 H new ATOM 912 N LEU A 61 1.839 5.164 -5.865 1.00 0.00 N ATOM 913 CA LEU A 61 2.752 4.025 -5.867 1.00 0.00 C ATOM 914 C LEU A 61 4.204 4.492 -5.891 1.00 0.00 C ATOM 915 O LEU A 61 4.677 5.025 -6.894 1.00 0.00 O ATOM 916 CB LEU A 61 2.473 3.126 -7.073 1.00 0.00 C ATOM 917 CG LEU A 61 1.068 2.528 -7.154 1.00 0.00 C ATOM 918 CD1 LEU A 61 0.927 1.661 -8.395 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.758 1.723 -5.900 1.00 0.00 C ATOM 0 H LEU A 61 1.727 5.616 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 61 2.588 3.456 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.653 3.703 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.194 2.309 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 61 0.350 3.345 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.079 1.244 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.105 2.266 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.654 0.850 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.246 1.305 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.481 0.914 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.816 2.373 -5.027 1.00 0.00 H new ATOM 931 N GLN A 62 4.905 4.285 -4.781 1.00 0.00 N ATOM 932 CA GLN A 62 6.304 4.683 -4.676 1.00 0.00 C ATOM 933 C GLN A 62 7.227 3.534 -5.067 1.00 0.00 C ATOM 934 O GLN A 62 6.905 2.365 -4.856 1.00 0.00 O ATOM 935 CB GLN A 62 6.619 5.145 -3.252 1.00 0.00 C ATOM 936 CG GLN A 62 5.841 6.379 -2.827 1.00 0.00 C ATOM 937 CD GLN A 62 5.788 7.438 -3.910 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.730 7.594 -4.688 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.684 8.174 -3.966 1.00 0.00 N ATOM 0 H GLN A 62 4.527 3.844 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 62 6.473 5.511 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.402 4.332 -2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.686 5.354 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.825 6.089 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.299 6.802 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.928 8.011 -3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.592 8.903 -4.674 1.00 0.00 H new ATOM 948 N LYS A 63 8.378 3.875 -5.638 1.00 0.00 N ATOM 949 CA LYS A 63 9.350 2.873 -6.059 1.00 0.00 C ATOM 950 C LYS A 63 10.770 3.322 -5.732 1.00 0.00 C ATOM 951 O LYS A 63 11.280 4.274 -6.322 1.00 0.00 O ATOM 952 CB LYS A 63 9.221 2.605 -7.560 1.00 0.00 C ATOM 953 CG LYS A 63 7.855 2.082 -7.969 1.00 0.00 C ATOM 954 CD LYS A 63 7.566 2.363 -9.434 1.00 0.00 C ATOM 955 CE LYS A 63 8.316 1.404 -10.345 1.00 0.00 C ATOM 956 NZ LYS A 63 7.686 0.054 -10.367 1.00 0.00 N ATOM 0 H LYS A 63 8.660 4.838 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 63 9.144 1.952 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.426 3.527 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.981 1.883 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.806 1.008 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.087 2.546 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.495 2.278 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.849 3.388 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.342 1.809 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.349 1.317 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.428 -0.675 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.100 -0.069 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.090 -0.037 -11.215 1.00 0.00 H new ATOM 970 N GLU A 64 11.404 2.630 -4.790 1.00 0.00 N ATOM 971 CA GLU A 64 12.766 2.959 -4.387 1.00 0.00 C ATOM 972 C GLU A 64 13.783 2.266 -5.289 1.00 0.00 C ATOM 973 O GLU A 64 13.417 1.599 -6.257 1.00 0.00 O ATOM 974 CB GLU A 64 13.001 2.555 -2.930 1.00 0.00 C ATOM 975 CG GLU A 64 13.815 3.568 -2.141 1.00 0.00 C ATOM 976 CD GLU A 64 13.303 4.985 -2.309 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.387 5.378 -1.556 1.00 0.00 O ATOM 978 OE2 GLU A 64 13.816 5.702 -3.194 1.00 0.00 O ATOM 0 H GLU A 64 10.996 1.839 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 64 12.896 4.037 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.037 2.416 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.513 1.593 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.795 3.301 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.856 3.521 -2.462 1.00 0.00 H new ATOM 985 N ASP A 65 15.061 2.429 -4.964 1.00 0.00 N ATOM 986 CA ASP A 65 16.131 1.819 -5.744 1.00 0.00 C ATOM 987 C ASP A 65 15.907 0.318 -5.894 1.00 0.00 C ATOM 988 O ASP A 65 15.710 -0.185 -7.001 1.00 0.00 O ATOM 989 CB ASP A 65 17.485 2.082 -5.083 1.00 0.00 C ATOM 990 CG ASP A 65 18.119 3.376 -5.555 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.237 3.564 -6.784 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.498 4.199 -4.696 1.00 0.00 O ATOM 0 H ASP A 65 15.381 2.978 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 65 16.126 2.269 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.357 2.117 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.158 1.252 -5.298 1.00 0.00 H new ATOM 997 N THR A 66 15.940 -0.396 -4.772 1.00 0.00 N ATOM 998 CA THR A 66 15.743 -1.839 -4.779 1.00 0.00 C ATOM 999 C THR A 66 14.531 -2.233 -3.941 1.00 0.00 C ATOM 1000 O THR A 66 14.218 -3.415 -3.801 1.00 0.00 O ATOM 1001 CB THR A 66 16.984 -2.578 -4.244 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.609 -1.804 -3.214 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.981 -2.841 -5.363 1.00 0.00 C ATOM 0 H THR A 66 16.101 0.003 -3.847 1.00 0.00 H new ATOM 0 HA THR A 66 15.575 -2.130 -5.816 1.00 0.00 H new ATOM 0 HB THR A 66 16.661 -3.535 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.396 -2.281 -2.878 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.849 -3.364 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.511 -3.455 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.298 -1.893 -5.798 1.00 0.00 H new ATOM 1011 N VAL A 67 13.852 -1.234 -3.386 1.00 0.00 N ATOM 1012 CA VAL A 67 12.673 -1.476 -2.564 1.00 0.00 C ATOM 1013 C VAL A 67 11.482 -0.660 -3.056 1.00 0.00 C ATOM 1014 O VAL A 67 11.646 0.446 -3.572 1.00 0.00 O ATOM 1015 CB VAL A 67 12.940 -1.134 -1.086 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.656 0.202 -0.968 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.638 -1.122 -0.299 1.00 0.00 C ATOM 0 H VAL A 67 14.098 -0.250 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 67 12.441 -2.538 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 67 13.586 -1.904 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.836 0.427 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.608 0.153 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.038 0.986 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.845 -0.879 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.966 -0.374 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.169 -2.104 -0.356 1.00 0.00 H new ATOM 1027 N ARG A 68 10.285 -1.213 -2.892 1.00 0.00 N ATOM 1028 CA ARG A 68 9.066 -0.537 -3.320 1.00 0.00 C ATOM 1029 C ARG A 68 8.231 -0.109 -2.117 1.00 0.00 C ATOM 1030 O ARG A 68 8.347 -0.681 -1.033 1.00 0.00 O ATOM 1031 CB ARG A 68 8.242 -1.451 -4.228 1.00 0.00 C ATOM 1032 CG ARG A 68 9.005 -1.949 -5.445 1.00 0.00 C ATOM 1033 CD ARG A 68 8.925 -0.959 -6.596 1.00 0.00 C ATOM 1034 NE ARG A 68 9.464 -1.514 -7.835 1.00 0.00 N ATOM 1035 CZ ARG A 68 10.759 -1.525 -8.133 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.642 -1.014 -7.286 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.172 -2.049 -9.280 1.00 0.00 N ATOM 0 H ARG A 68 10.133 -2.127 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 68 9.352 0.355 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.897 -2.308 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.354 -0.913 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.049 -2.115 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.600 -2.910 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.886 -0.667 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.475 -0.055 -6.335 1.00 0.00 H new ATOM 0 HE ARG A 68 8.811 -1.915 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.328 -0.611 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.635 -1.024 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.495 -2.444 -9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.166 -2.057 -9.508 1.00 0.00 H new ATOM 1051 N ARG A 69 7.389 0.900 -2.317 1.00 0.00 N ATOM 1052 CA ARG A 69 6.535 1.406 -1.249 1.00 0.00 C ATOM 1053 C ARG A 69 5.226 1.950 -1.811 1.00 0.00 C ATOM 1054 O ARG A 69 5.195 2.520 -2.902 1.00 0.00 O ATOM 1055 CB ARG A 69 7.260 2.500 -0.463 1.00 0.00 C ATOM 1056 CG ARG A 69 8.402 1.980 0.394 1.00 0.00 C ATOM 1057 CD ARG A 69 8.702 2.919 1.552 1.00 0.00 C ATOM 1058 NE ARG A 69 9.696 3.928 1.195 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.399 5.069 0.583 1.00 0.00 C ATOM 1060 NH1 ARG A 69 8.142 5.345 0.264 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.359 5.937 0.291 1.00 0.00 N ATOM 0 H ARG A 69 7.280 1.383 -3.209 1.00 0.00 H new ATOM 0 HA ARG A 69 6.305 0.578 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.650 3.240 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.542 3.013 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.148 0.993 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.295 1.861 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.782 3.412 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.062 2.341 2.403 1.00 0.00 H new ATOM 0 HE ARG A 69 10.672 3.746 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.401 4.681 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.916 6.222 -0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.327 5.729 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.129 6.813 -0.179 1.00 0.00 H new ATOM 1075 N LEU A 70 4.145 1.770 -1.060 1.00 0.00 N ATOM 1076 CA LEU A 70 2.831 2.243 -1.483 1.00 0.00 C ATOM 1077 C LEU A 70 2.292 3.291 -0.515 1.00 0.00 C ATOM 1078 O LEU A 70 1.914 2.974 0.613 1.00 0.00 O ATOM 1079 CB LEU A 70 1.853 1.071 -1.580 1.00 0.00 C ATOM 1080 CG LEU A 70 0.368 1.428 -1.501 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.005 2.441 -2.576 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.489 0.177 -1.633 1.00 0.00 C ATOM 0 H LEU A 70 4.152 1.300 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 70 2.936 2.703 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.032 0.552 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.080 0.367 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 70 0.173 1.877 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.055 2.683 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.594 3.347 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.215 2.020 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.543 0.450 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.291 -0.300 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.248 -0.516 -0.827 1.00 0.00 H new ATOM 1094 N VAL A 71 2.258 4.542 -0.964 1.00 0.00 N ATOM 1095 CA VAL A 71 1.762 5.637 -0.139 1.00 0.00 C ATOM 1096 C VAL A 71 0.368 6.070 -0.581 1.00 0.00 C ATOM 1097 O VAL A 71 0.104 6.227 -1.774 1.00 0.00 O ATOM 1098 CB VAL A 71 2.706 6.852 -0.192 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.088 8.041 0.527 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.060 6.501 0.407 1.00 0.00 C ATOM 0 H VAL A 71 2.568 4.822 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 71 1.717 5.266 0.885 1.00 0.00 H new ATOM 0 HB VAL A 71 2.856 7.128 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.770 8.890 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.145 8.305 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.905 7.781 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.715 7.371 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.931 6.198 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.506 5.682 -0.157 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.520 6.263 0.387 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.888 6.680 0.098 1.00 0.00 C ATOM 1112 C LEU A 72 -2.209 8.006 0.780 1.00 0.00 C ATOM 1113 O LEU A 72 -2.421 8.075 1.991 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.877 5.606 0.557 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.936 4.339 -0.298 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.717 3.466 -0.044 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.216 3.566 -0.018 1.00 0.00 C ATOM 0 H LEU A 72 -0.318 6.138 1.379 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.980 6.815 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.624 5.320 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.873 6.047 0.587 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.935 4.632 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.777 2.569 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.813 4.021 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.686 3.181 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.241 2.668 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.248 3.284 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.077 4.191 -0.253 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.247 9.086 -0.015 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.544 10.430 0.489 1.00 0.00 C ATOM 1131 C PRO A 73 -3.998 10.577 0.925 1.00 0.00 C ATOM 1132 O PRO A 73 -4.371 11.569 1.551 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.251 11.332 -0.712 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.434 10.452 -1.900 1.00 0.00 C ATOM 1135 CD PRO A 73 -2.004 9.078 -1.467 1.00 0.00 C ATOM 0 HA PRO A 73 -1.956 10.673 1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.930 12.184 -0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.238 11.733 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.473 10.450 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.835 10.802 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.581 8.300 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.955 8.894 -1.698 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.815 9.585 0.588 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.228 9.604 0.947 1.00 0.00 C ATOM 1145 C ALA A 74 -6.837 8.209 0.852 1.00 0.00 C ATOM 1146 O ALA A 74 -7.064 7.693 -0.242 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.986 10.575 0.054 1.00 0.00 C ATOM 0 H ALA A 74 -4.523 8.758 0.067 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.311 9.938 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.040 10.579 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.575 11.577 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.887 10.265 -0.986 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.099 7.602 2.006 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.682 6.267 2.053 1.00 0.00 C ATOM 1155 C VAL A 75 -9.163 6.326 2.411 1.00 0.00 C ATOM 1156 O VAL A 75 -9.690 7.390 2.736 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.953 5.372 3.072 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.460 5.661 3.066 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.536 5.566 4.464 1.00 0.00 C ATOM 0 H VAL A 75 -6.916 8.015 2.921 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.569 5.837 1.058 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.098 4.331 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.962 5.019 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.056 5.466 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.290 6.705 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.009 4.926 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.423 6.608 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.594 5.303 4.455 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.827 5.177 2.351 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.247 5.098 2.669 1.00 0.00 C ATOM 1171 C GLN A 76 -11.558 3.834 3.465 1.00 0.00 C ATOM 1172 O GLN A 76 -10.936 2.791 3.261 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.081 5.126 1.388 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.810 6.339 0.511 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.288 7.632 1.141 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.589 7.682 2.334 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.360 8.689 0.340 1.00 0.00 N ATOM 0 H GLN A 76 -9.404 4.288 2.085 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.504 5.963 3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.881 4.221 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.138 5.108 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.740 6.409 0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.303 6.204 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.101 8.603 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.675 9.587 0.708 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.524 3.935 4.372 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.917 2.799 5.199 1.00 0.00 C ATOM 1188 C LEU A 77 -13.091 1.543 4.351 1.00 0.00 C ATOM 1189 O LEU A 77 -12.901 0.427 4.834 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.217 3.111 5.942 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.179 4.313 6.886 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.552 4.559 7.493 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.141 4.100 7.978 1.00 0.00 C ATOM 0 H LEU A 77 -13.049 4.791 4.553 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.125 2.617 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.002 3.278 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.503 2.231 6.518 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.896 5.194 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.505 5.418 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.271 4.757 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.865 3.679 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.127 4.965 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.394 3.208 8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.157 3.974 7.525 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.452 1.733 3.086 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.650 0.615 2.172 1.00 0.00 C ATOM 1207 C GLU A 78 -12.312 0.075 1.675 1.00 0.00 C ATOM 1208 O GLU A 78 -12.143 -1.132 1.500 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.512 1.045 0.984 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.978 1.239 1.334 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.659 -0.056 1.733 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.454 -1.073 1.039 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.398 -0.051 2.740 1.00 0.00 O ATOM 0 H GLU A 78 -13.613 2.651 2.671 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.163 -0.179 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.118 1.977 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.431 0.295 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.061 1.955 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.498 1.670 0.478 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.364 0.978 1.449 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.041 0.595 0.972 1.00 0.00 C ATOM 1222 C ASP A 79 -9.410 -0.443 1.895 1.00 0.00 C ATOM 1223 O ASP A 79 -8.655 -1.308 1.450 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.135 1.823 0.872 1.00 0.00 C ATOM 1225 CG ASP A 79 -8.100 1.691 -0.229 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -8.496 1.469 -1.391 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -6.894 1.810 0.074 1.00 0.00 O ATOM 0 H ASP A 79 -11.488 1.981 1.589 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.153 0.155 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.745 2.707 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.629 1.977 1.825 1.00 0.00 H new ATOM 1232 N SER A 80 -9.724 -0.350 3.184 1.00 0.00 N ATOM 1233 CA SER A 80 -9.185 -1.278 4.171 1.00 0.00 C ATOM 1234 C SER A 80 -9.571 -2.715 3.834 1.00 0.00 C ATOM 1235 O SER A 80 -10.752 -3.055 3.776 1.00 0.00 O ATOM 1236 CB SER A 80 -9.688 -0.917 5.570 1.00 0.00 C ATOM 1237 OG SER A 80 -11.043 -1.298 5.738 1.00 0.00 O ATOM 0 H SER A 80 -10.349 0.359 3.569 1.00 0.00 H new ATOM 0 HA SER A 80 -8.098 -1.199 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.072 -1.412 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.586 0.156 5.731 1.00 0.00 H new ATOM 0 HG SER A 80 -11.622 -0.664 5.265 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.565 -3.555 3.613 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.819 -4.946 3.284 1.00 0.00 C ATOM 1245 C GLY A 81 -7.564 -5.794 3.346 1.00 0.00 C ATOM 1246 O GLY A 81 -6.902 -5.860 4.381 1.00 0.00 O ATOM 0 H GLY A 81 -7.579 -3.298 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.561 -5.350 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.246 -5.007 2.283 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.238 -6.447 2.234 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.055 -7.297 2.168 1.00 0.00 C ATOM 1252 C GLU A 82 -5.187 -6.930 0.967 1.00 0.00 C ATOM 1253 O GLU A 82 -5.497 -7.289 -0.169 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.463 -8.770 2.085 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.453 -9.717 2.712 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.961 -11.144 2.787 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.308 -11.706 1.727 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.011 -11.698 3.905 1.00 0.00 O ATOM 0 H GLU A 82 -7.776 -6.404 1.368 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.474 -7.138 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.426 -8.900 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.602 -9.041 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.530 -9.694 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.208 -9.369 3.716 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.100 -6.213 1.228 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.189 -5.794 0.170 1.00 0.00 C ATOM 1267 C TYR A 83 -2.125 -6.857 -0.086 1.00 0.00 C ATOM 1268 O TYR A 83 -1.215 -7.048 0.721 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.522 -4.467 0.538 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.286 -3.253 0.062 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.499 -2.899 0.641 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -2.796 -2.459 -0.968 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.200 -1.791 0.208 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.490 -1.348 -1.406 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.692 -1.018 -0.815 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.387 0.087 -1.249 1.00 0.00 O ATOM 0 H TYR A 83 -3.828 -5.910 2.163 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.770 -5.660 -0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.411 -4.414 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.519 -4.444 0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.900 -3.501 1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.856 -2.715 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.142 -1.531 0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.094 -0.741 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.767 0.558 -0.478 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.247 -7.547 -1.214 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.297 -8.592 -1.579 1.00 0.00 C ATOM 1288 C LEU A 84 -0.381 -8.125 -2.707 1.00 0.00 C ATOM 1289 O LEU A 84 -0.835 -7.871 -3.823 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.040 -9.860 -2.002 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.260 -10.905 -0.907 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.980 -11.684 -0.648 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.752 -10.243 0.371 1.00 0.00 C ATOM 0 H LEU A 84 -2.995 -7.402 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.684 -8.813 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.012 -9.571 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.486 -10.327 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.024 -11.604 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.156 -12.423 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.671 -12.190 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.195 -10.998 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.903 -11.002 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.012 -9.521 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.695 -9.731 0.176 1.00 0.00 H new ATOM 1305 N CYS A 85 0.908 -8.017 -2.408 1.00 0.00 N ATOM 1306 CA CYS A 85 1.889 -7.583 -3.397 1.00 0.00 C ATOM 1307 C CYS A 85 2.565 -8.782 -4.054 1.00 0.00 C ATOM 1308 O CYS A 85 3.384 -9.460 -3.435 1.00 0.00 O ATOM 1309 CB CYS A 85 2.939 -6.684 -2.744 1.00 0.00 C ATOM 1310 SG CYS A 85 4.107 -5.945 -3.911 1.00 0.00 S ATOM 0 H CYS A 85 1.299 -8.224 -1.489 1.00 0.00 H new ATOM 0 HA CYS A 85 1.366 -7.017 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.432 -5.887 -2.200 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.495 -7.267 -2.010 1.00 0.00 H new ATOM 0 HG CYS A 85 3.929 -4.658 -3.947 1.00 0.00 H new ATOM 1316 N GLU A 86 2.216 -9.037 -5.311 1.00 0.00 N ATOM 1317 CA GLU A 86 2.788 -10.155 -6.051 1.00 0.00 C ATOM 1318 C GLU A 86 3.860 -9.673 -7.024 1.00 0.00 C ATOM 1319 O GLU A 86 3.693 -8.651 -7.691 1.00 0.00 O ATOM 1320 CB GLU A 86 1.693 -10.905 -6.813 1.00 0.00 C ATOM 1321 CG GLU A 86 0.410 -11.082 -6.018 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.345 -12.339 -6.401 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.064 -13.435 -5.964 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.347 -12.227 -7.139 1.00 0.00 O ATOM 0 H GLU A 86 1.540 -8.484 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 86 3.251 -10.832 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.469 -10.366 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.070 -11.886 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.648 -11.115 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.232 -10.215 -6.174 1.00 0.00 H new ATOM 1331 N ILE A 87 4.961 -10.414 -7.097 1.00 0.00 N ATOM 1332 CA ILE A 87 6.060 -10.063 -7.988 1.00 0.00 C ATOM 1333 C ILE A 87 6.162 -11.045 -9.150 1.00 0.00 C ATOM 1334 O ILE A 87 6.111 -10.652 -10.315 1.00 0.00 O ATOM 1335 CB ILE A 87 7.404 -10.031 -7.238 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.551 -10.382 -8.187 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.374 -10.990 -6.057 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.858 -9.710 -7.830 1.00 0.00 C ATOM 0 H ILE A 87 5.115 -11.261 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 87 5.846 -9.067 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 87 7.568 -9.022 -6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.695 -11.462 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.272 -10.099 -9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.331 -10.956 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.578 -10.699 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.191 -12.003 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.626 -10.005 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.731 -8.628 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.161 -10.013 -6.828 1.00 0.00 H new ATOM 1350 N ASP A 88 6.304 -12.325 -8.824 1.00 0.00 N ATOM 1351 CA ASP A 88 6.410 -13.366 -9.840 1.00 0.00 C ATOM 1352 C ASP A 88 5.529 -14.561 -9.488 1.00 0.00 C ATOM 1353 O ASP A 88 4.495 -14.788 -10.116 1.00 0.00 O ATOM 1354 CB ASP A 88 7.864 -13.815 -9.990 1.00 0.00 C ATOM 1355 CG ASP A 88 8.189 -14.260 -11.402 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.754 -15.365 -11.792 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.878 -13.505 -12.119 1.00 0.00 O ATOM 0 H ASP A 88 6.348 -12.667 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 88 6.066 -12.951 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.525 -12.995 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.061 -14.635 -9.299 1.00 0.00 H new ATOM 1362 N ASP A 89 5.947 -15.321 -8.482 1.00 0.00 N ATOM 1363 CA ASP A 89 5.196 -16.493 -8.046 1.00 0.00 C ATOM 1364 C ASP A 89 4.741 -16.340 -6.598 1.00 0.00 C ATOM 1365 O ASP A 89 3.768 -16.961 -6.175 1.00 0.00 O ATOM 1366 CB ASP A 89 6.047 -17.755 -8.196 1.00 0.00 C ATOM 1367 CG ASP A 89 6.618 -17.905 -9.592 1.00 0.00 C ATOM 1368 OD1 ASP A 89 7.690 -17.323 -9.861 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.994 -18.607 -10.416 1.00 0.00 O ATOM 0 H ASP A 89 6.802 -15.147 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 89 4.312 -16.583 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.863 -17.728 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.441 -18.629 -7.959 1.00 0.00 H new ATOM 1374 N GLU A 90 5.454 -15.508 -5.844 1.00 0.00 N ATOM 1375 CA GLU A 90 5.124 -15.276 -4.443 1.00 0.00 C ATOM 1376 C GLU A 90 4.363 -13.964 -4.273 1.00 0.00 C ATOM 1377 O GLU A 90 4.261 -13.168 -5.207 1.00 0.00 O ATOM 1378 CB GLU A 90 6.397 -15.253 -3.593 1.00 0.00 C ATOM 1379 CG GLU A 90 7.624 -14.768 -4.347 1.00 0.00 C ATOM 1380 CD GLU A 90 8.243 -15.850 -5.211 1.00 0.00 C ATOM 1381 OE1 GLU A 90 7.804 -16.010 -6.369 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.168 -16.536 -4.728 1.00 0.00 O ATOM 0 H GLU A 90 6.262 -14.985 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 90 4.485 -16.093 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.235 -14.610 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.588 -16.256 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.349 -13.920 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.366 -14.409 -3.634 1.00 0.00 H new ATOM 1389 N SER A 91 3.830 -13.747 -3.075 1.00 0.00 N ATOM 1390 CA SER A 91 3.074 -12.535 -2.784 1.00 0.00 C ATOM 1391 C SER A 91 3.266 -12.111 -1.331 1.00 0.00 C ATOM 1392 O SER A 91 3.453 -12.948 -0.448 1.00 0.00 O ATOM 1393 CB SER A 91 1.588 -12.753 -3.071 1.00 0.00 C ATOM 1394 OG SER A 91 1.109 -13.920 -2.423 1.00 0.00 O ATOM 0 H SER A 91 3.908 -14.394 -2.291 1.00 0.00 H new ATOM 0 HA SER A 91 3.448 -11.740 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.018 -11.887 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.431 -12.840 -4.146 1.00 0.00 H new ATOM 0 HG SER A 91 0.156 -14.036 -2.621 1.00 0.00 H new ATOM 1400 N ALA A 92 3.218 -10.805 -1.090 1.00 0.00 N ATOM 1401 CA ALA A 92 3.384 -10.269 0.255 1.00 0.00 C ATOM 1402 C ALA A 92 2.044 -9.845 0.846 1.00 0.00 C ATOM 1403 O ALA A 92 1.284 -9.108 0.220 1.00 0.00 O ATOM 1404 CB ALA A 92 4.352 -9.095 0.240 1.00 0.00 C ATOM 0 H ALA A 92 3.065 -10.098 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 92 3.796 -11.057 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.466 -8.705 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.321 -9.427 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.963 -8.311 -0.410 1.00 0.00 H new ATOM 1410 N SER A 93 1.761 -10.316 2.057 1.00 0.00 N ATOM 1411 CA SER A 93 0.511 -9.989 2.731 1.00 0.00 C ATOM 1412 C SER A 93 0.632 -8.673 3.493 1.00 0.00 C ATOM 1413 O SER A 93 1.488 -8.524 4.365 1.00 0.00 O ATOM 1414 CB SER A 93 0.115 -11.113 3.691 1.00 0.00 C ATOM 1415 OG SER A 93 -0.916 -10.695 4.568 1.00 0.00 O ATOM 0 H SER A 93 2.381 -10.925 2.591 1.00 0.00 H new ATOM 0 HA SER A 93 -0.264 -9.879 1.972 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.217 -11.981 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.985 -11.425 4.269 1.00 0.00 H new ATOM 0 HG SER A 93 -1.152 -11.431 5.170 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.231 -7.720 3.156 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.221 -6.415 3.807 1.00 0.00 C ATOM 1423 C PHE A 94 -1.623 -6.027 4.268 1.00 0.00 C ATOM 1424 O PHE A 94 -2.446 -5.570 3.474 1.00 0.00 O ATOM 1425 CB PHE A 94 0.328 -5.351 2.854 1.00 0.00 C ATOM 1426 CG PHE A 94 1.821 -5.401 2.695 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.653 -4.898 3.682 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.391 -5.951 1.558 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.027 -4.943 3.539 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.765 -5.999 1.410 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.583 -5.493 2.401 1.00 0.00 C ATOM 0 H PHE A 94 -0.946 -7.827 2.436 1.00 0.00 H new ATOM 0 HA PHE A 94 0.426 -6.477 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.138 -5.475 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.042 -4.365 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.223 -4.466 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.756 -6.346 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.665 -4.549 4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.198 -6.432 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.656 -5.527 2.286 1.00 0.00 H new ATOM 1441 N THR A 95 -1.887 -6.211 5.558 1.00 0.00 N ATOM 1442 CA THR A 95 -3.188 -5.883 6.126 1.00 0.00 C ATOM 1443 C THR A 95 -3.300 -4.390 6.416 1.00 0.00 C ATOM 1444 O THR A 95 -2.447 -3.813 7.090 1.00 0.00 O ATOM 1445 CB THR A 95 -3.448 -6.668 7.425 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.420 -8.075 7.162 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.792 -6.287 8.028 1.00 0.00 C ATOM 0 H THR A 95 -1.216 -6.586 6.229 1.00 0.00 H new ATOM 0 HA THR A 95 -3.937 -6.164 5.385 1.00 0.00 H new ATOM 0 HB THR A 95 -2.663 -6.416 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.585 -8.567 7.994 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.953 -6.854 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.800 -5.221 8.255 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.587 -6.512 7.317 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.359 -3.771 5.904 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.584 -2.345 6.110 1.00 0.00 C ATOM 1457 C VAL A 96 -5.980 -2.083 6.664 1.00 0.00 C ATOM 1458 O VAL A 96 -6.955 -2.013 5.915 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.407 -1.554 4.800 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.725 -0.082 5.018 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.995 -1.728 4.260 1.00 0.00 C ATOM 0 H VAL A 96 -5.074 -4.234 5.344 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.841 -2.009 6.833 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.106 -1.947 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.594 0.461 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.756 0.021 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.053 0.328 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.887 -1.163 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.277 -1.362 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.808 -2.784 4.064 1.00 0.00 H new ATOM 1471 N THR A 97 -6.070 -1.939 7.983 1.00 0.00 N ATOM 1472 CA THR A 97 -7.346 -1.685 8.638 1.00 0.00 C ATOM 1473 C THR A 97 -7.524 -0.202 8.941 1.00 0.00 C ATOM 1474 O THR A 97 -6.791 0.369 9.749 1.00 0.00 O ATOM 1475 CB THR A 97 -7.473 -2.484 9.949 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.398 -3.888 9.677 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.785 -2.168 10.651 1.00 0.00 C ATOM 0 H THR A 97 -5.274 -1.994 8.618 1.00 0.00 H new ATOM 0 HA THR A 97 -8.125 -2.007 7.947 1.00 0.00 H new ATOM 0 HB THR A 97 -6.650 -2.197 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.478 -4.388 10.516 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.852 -2.744 11.574 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.826 -1.104 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.619 -2.429 9.999 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.502 0.418 8.288 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.777 1.836 8.489 1.00 0.00 C ATOM 1487 C VAL A 98 -10.006 2.038 9.369 1.00 0.00 C ATOM 1488 O VAL A 98 -10.987 1.301 9.264 1.00 0.00 O ATOM 1489 CB VAL A 98 -8.995 2.561 7.148 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.143 4.059 7.369 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.849 2.266 6.192 1.00 0.00 C ATOM 0 H VAL A 98 -9.117 -0.040 7.615 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.904 2.260 8.985 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.917 2.191 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.296 4.555 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.999 4.248 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.240 4.448 7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.019 2.786 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.912 2.608 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.794 1.193 6.010 1.00 0.00 H new ATOM 1501 N THR A 99 -9.947 3.043 10.237 1.00 0.00 N ATOM 1502 CA THR A 99 -11.054 3.342 11.136 1.00 0.00 C ATOM 1503 C THR A 99 -11.372 4.833 11.139 1.00 0.00 C ATOM 1504 O THR A 99 -10.698 5.622 10.478 1.00 0.00 O ATOM 1505 CB THR A 99 -10.746 2.892 12.577 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.464 3.386 12.981 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.767 1.374 12.685 1.00 0.00 C ATOM 0 H THR A 99 -9.144 3.664 10.336 1.00 0.00 H new ATOM 0 HA THR A 99 -11.918 2.789 10.768 1.00 0.00 H new ATOM 0 HB THR A 99 -11.515 3.299 13.234 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.276 3.097 13.898 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.547 1.079 13.711 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.753 1.003 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.016 0.951 12.017 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.402 5.212 11.889 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.808 6.610 11.977 1.00 0.00 C ATOM 1517 C GLU A 100 -11.871 7.392 12.892 1.00 0.00 C ATOM 1518 O GLU A 100 -11.522 6.952 13.988 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.246 6.715 12.491 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.240 5.889 11.692 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.422 5.432 12.525 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.256 5.278 13.753 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.511 5.230 11.949 1.00 0.00 O ATOM 0 H GLU A 100 -12.970 4.572 12.444 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.755 7.041 10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.275 6.395 13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.555 7.760 12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.601 6.478 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.733 5.017 11.279 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.452 8.581 12.433 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.550 9.451 13.194 1.00 0.00 C ATOM 1532 C PRO A 101 -11.224 10.052 14.423 1.00 0.00 C ATOM 1533 O PRO A 101 -12.449 10.072 14.541 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.187 10.549 12.192 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.330 10.584 11.237 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.828 9.168 11.136 1.00 0.00 C ATOM 0 HA PRO A 101 -9.689 8.906 13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.057 11.511 12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.251 10.325 11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.116 11.250 11.593 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.014 10.957 10.263 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.906 9.131 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.364 8.637 10.305 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.407 10.555 15.360 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.902 11.168 16.596 1.00 0.00 C ATOM 1546 C PRO A 102 -11.595 12.502 16.344 1.00 0.00 C ATOM 1547 O PRO A 102 -11.648 12.982 15.212 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.631 11.373 17.424 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.535 11.466 16.420 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.936 10.565 15.285 1.00 0.00 C ATOM 0 HA PRO A 102 -11.651 10.547 17.087 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.693 12.279 18.027 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.468 10.543 18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.406 12.492 16.077 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.584 11.152 16.850 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.585 10.946 14.326 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.521 9.564 15.401 1.00 0.00 H new