USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0184) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -38:sc= 0.724 USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot -40:sc= 0.882 USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 131 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00684) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 11.538 8.874 -6.020 1.00 0.00 N ATOM 137 CA ILE A 10 12.435 9.998 -6.255 1.00 0.00 C ATOM 138 C ILE A 10 12.478 10.370 -7.733 1.00 0.00 C ATOM 139 O ILE A 10 12.189 11.502 -8.123 1.00 0.00 O ATOM 140 CB ILE A 10 13.865 9.687 -5.774 1.00 0.00 C ATOM 141 CG1 ILE A 10 14.020 10.046 -4.295 1.00 0.00 C ATOM 142 CG2 ILE A 10 14.883 10.440 -6.617 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.907 9.090 -3.529 1.00 0.00 C ATOM 0 HA ILE A 10 12.042 10.839 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 10 14.046 8.618 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.431 11.052 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.035 10.066 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.889 10.210 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.786 10.139 -7.660 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.705 11.512 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.970 9.407 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.486 8.086 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.904 9.087 -3.969 1.00 0.00 H new ATOM 155 N PRO A 11 12.844 9.395 -8.577 1.00 0.00 N ATOM 156 CA PRO A 11 12.930 9.593 -10.027 1.00 0.00 C ATOM 157 C PRO A 11 11.559 9.770 -10.671 1.00 0.00 C ATOM 158 O PRO A 11 11.385 10.591 -11.571 1.00 0.00 O ATOM 159 CB PRO A 11 13.593 8.305 -10.524 1.00 0.00 C ATOM 160 CG PRO A 11 13.256 7.285 -9.492 1.00 0.00 C ATOM 161 CD PRO A 11 13.202 8.021 -8.182 1.00 0.00 C ATOM 0 HA PRO A 11 13.482 10.498 -10.282 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.214 8.017 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.672 8.427 -10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.300 6.809 -9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.007 6.495 -9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.460 7.590 -7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.160 7.989 -7.663 1.00 0.00 H new ATOM 169 N VAL A 12 10.586 8.992 -10.203 1.00 0.00 N ATOM 170 CA VAL A 12 9.230 9.065 -10.732 1.00 0.00 C ATOM 171 C VAL A 12 8.697 10.493 -10.687 1.00 0.00 C ATOM 172 O VAL A 12 8.332 11.062 -11.716 1.00 0.00 O ATOM 173 CB VAL A 12 8.273 8.146 -9.948 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.897 8.130 -10.597 1.00 0.00 C ATOM 175 CG2 VAL A 12 8.843 6.739 -9.854 1.00 0.00 C ATOM 0 H VAL A 12 10.713 8.305 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 12 9.276 8.731 -11.769 1.00 0.00 H new ATOM 0 HB VAL A 12 8.167 8.539 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.235 7.476 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.488 9.140 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.981 7.762 -11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.154 6.104 -9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.980 6.334 -10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.804 6.769 -9.341 1.00 0.00 H new ATOM 185 N TYR A 13 8.656 11.065 -9.490 1.00 0.00 N ATOM 186 CA TYR A 13 8.166 12.426 -9.310 1.00 0.00 C ATOM 187 C TYR A 13 8.939 13.404 -10.190 1.00 0.00 C ATOM 188 O TYR A 13 8.361 14.314 -10.783 1.00 0.00 O ATOM 189 CB TYR A 13 8.280 12.843 -7.843 1.00 0.00 C ATOM 190 CG TYR A 13 7.122 12.378 -6.989 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.733 11.043 -6.978 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.417 13.272 -6.193 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.675 10.615 -6.200 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.359 12.851 -5.412 1.00 0.00 C ATOM 195 CZ TYR A 13 4.991 11.523 -5.419 1.00 0.00 C ATOM 196 OH TYR A 13 3.937 11.099 -4.642 1.00 0.00 O ATOM 0 H TYR A 13 8.956 10.608 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 13 7.117 12.449 -9.606 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.207 12.444 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.348 13.929 -7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.267 10.329 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.701 14.314 -6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.385 9.575 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.822 13.559 -4.798 1.00 0.00 H new ATOM 0 HH TYR A 13 3.564 11.862 -4.152 1.00 0.00 H new ATOM 206 N ALA A 14 10.251 13.208 -10.268 1.00 0.00 N ATOM 207 CA ALA A 14 11.105 14.071 -11.076 1.00 0.00 C ATOM 208 C ALA A 14 10.589 14.169 -12.507 1.00 0.00 C ATOM 209 O ALA A 14 10.348 15.263 -13.017 1.00 0.00 O ATOM 210 CB ALA A 14 12.537 13.555 -11.064 1.00 0.00 C ATOM 0 H ALA A 14 10.746 12.460 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 14 11.086 15.070 -10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.164 14.208 -11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.911 13.542 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.563 12.545 -11.472 1.00 0.00 H new ATOM 216 N SER A 15 10.421 13.018 -13.152 1.00 0.00 N ATOM 217 CA SER A 15 9.937 12.975 -14.526 1.00 0.00 C ATOM 218 C SER A 15 8.540 13.578 -14.630 1.00 0.00 C ATOM 219 O SER A 15 8.305 14.496 -15.417 1.00 0.00 O ATOM 220 CB SER A 15 9.923 11.534 -15.039 1.00 0.00 C ATOM 221 OG SER A 15 9.079 10.719 -14.244 1.00 0.00 O ATOM 0 H SER A 15 10.613 12.103 -12.744 1.00 0.00 H new ATOM 0 HA SER A 15 10.615 13.566 -15.142 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.582 11.516 -16.074 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.936 11.132 -15.031 1.00 0.00 H new ATOM 0 HG SER A 15 9.169 10.976 -13.302 1.00 0.00 H new ATOM 227 N ILE A 16 7.617 13.057 -13.829 1.00 0.00 N ATOM 228 CA ILE A 16 6.243 13.543 -13.830 1.00 0.00 C ATOM 229 C ILE A 16 6.198 15.063 -13.702 1.00 0.00 C ATOM 230 O ILE A 16 5.444 15.733 -14.409 1.00 0.00 O ATOM 231 CB ILE A 16 5.424 12.920 -12.683 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.331 11.402 -12.861 1.00 0.00 C ATOM 233 CG2 ILE A 16 4.035 13.537 -12.628 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.830 10.680 -11.630 1.00 0.00 C ATOM 0 H ILE A 16 7.796 12.298 -13.171 1.00 0.00 H new ATOM 0 HA ILE A 16 5.804 13.246 -14.783 1.00 0.00 H new ATOM 0 HB ILE A 16 5.930 13.127 -11.740 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.667 11.182 -13.697 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.315 11.014 -13.125 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.469 13.087 -11.813 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.120 14.611 -12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.519 13.357 -13.571 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.789 9.609 -11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.506 10.870 -10.796 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.833 11.040 -11.377 1.00 0.00 H new ATOM 246 N LEU A 17 7.011 15.599 -12.799 1.00 0.00 N ATOM 247 CA LEU A 17 7.066 17.041 -12.581 1.00 0.00 C ATOM 248 C LEU A 17 7.547 17.764 -13.835 1.00 0.00 C ATOM 249 O LEU A 17 7.075 18.854 -14.153 1.00 0.00 O ATOM 250 CB LEU A 17 7.992 17.363 -11.406 1.00 0.00 C ATOM 251 CG LEU A 17 7.309 17.605 -10.060 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.321 18.756 -10.162 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.609 16.340 -9.582 1.00 0.00 C ATOM 0 H LEU A 17 7.641 15.058 -12.206 1.00 0.00 H new ATOM 0 HA LEU A 17 6.059 17.387 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.698 16.541 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.574 18.249 -11.660 1.00 0.00 H new ATOM 0 HG LEU A 17 8.073 17.872 -9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.845 18.913 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.848 19.663 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.561 18.518 -10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.128 16.531 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.856 16.043 -10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.341 15.540 -9.469 1.00 0.00 H new ATOM 265 N ALA A 18 8.487 17.147 -14.543 1.00 0.00 N ATOM 266 CA ALA A 18 9.028 17.730 -15.765 1.00 0.00 C ATOM 267 C ALA A 18 7.946 17.877 -16.829 1.00 0.00 C ATOM 268 O ALA A 18 7.692 18.976 -17.321 1.00 0.00 O ATOM 269 CB ALA A 18 10.177 16.881 -16.291 1.00 0.00 C ATOM 0 H ALA A 18 8.890 16.244 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 18 9.405 18.725 -15.528 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.571 17.328 -17.204 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.966 16.832 -15.541 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.817 15.875 -16.506 1.00 0.00 H new ATOM 275 N ALA A 19 7.313 16.763 -17.181 1.00 0.00 N ATOM 276 CA ALA A 19 6.257 16.769 -18.186 1.00 0.00 C ATOM 277 C ALA A 19 5.199 17.820 -17.865 1.00 0.00 C ATOM 278 O ALA A 19 4.726 18.529 -18.753 1.00 0.00 O ATOM 279 CB ALA A 19 5.621 15.391 -18.291 1.00 0.00 C ATOM 0 H ALA A 19 7.513 15.845 -16.785 1.00 0.00 H new ATOM 0 HA ALA A 19 6.705 17.024 -19.146 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.834 15.410 -19.045 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.379 14.661 -18.576 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.194 15.113 -17.328 1.00 0.00 H new ATOM 285 N VAL A 20 4.832 17.913 -16.591 1.00 0.00 N ATOM 286 CA VAL A 20 3.831 18.879 -16.153 1.00 0.00 C ATOM 287 C VAL A 20 4.327 20.308 -16.338 1.00 0.00 C ATOM 288 O VAL A 20 3.709 21.106 -17.042 1.00 0.00 O ATOM 289 CB VAL A 20 3.454 18.664 -14.675 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.389 19.662 -14.246 1.00 0.00 C ATOM 291 CG2 VAL A 20 2.982 17.236 -14.448 1.00 0.00 C ATOM 0 H VAL A 20 5.212 17.332 -15.844 1.00 0.00 H new ATOM 0 HA VAL A 20 2.948 18.723 -16.772 1.00 0.00 H new ATOM 0 HB VAL A 20 4.341 18.830 -14.063 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.135 19.495 -13.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.769 20.676 -14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.499 19.531 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.720 17.102 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.108 17.039 -15.068 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.780 16.542 -14.714 1.00 0.00 H new ATOM 301 N VAL A 21 5.451 20.626 -15.700 1.00 0.00 N ATOM 302 CA VAL A 21 6.032 21.959 -15.795 1.00 0.00 C ATOM 303 C VAL A 21 6.225 22.373 -17.249 1.00 0.00 C ATOM 304 O VAL A 21 5.892 23.493 -17.638 1.00 0.00 O ATOM 305 CB VAL A 21 7.388 22.033 -15.068 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.011 23.410 -15.238 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.220 21.694 -13.594 1.00 0.00 C ATOM 0 H VAL A 21 5.976 19.978 -15.113 1.00 0.00 H new ATOM 0 HA VAL A 21 5.332 22.644 -15.315 1.00 0.00 H new ATOM 0 HB VAL A 21 8.060 21.299 -15.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.968 23.443 -14.718 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.167 23.610 -16.298 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.345 24.165 -14.820 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.187 21.751 -13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.532 22.403 -13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.820 20.685 -13.496 1.00 0.00 H new ATOM 317 N VAL A 22 6.765 21.460 -18.051 1.00 0.00 N ATOM 318 CA VAL A 22 7.002 21.728 -19.465 1.00 0.00 C ATOM 319 C VAL A 22 5.693 21.989 -20.202 1.00 0.00 C ATOM 320 O VAL A 22 5.601 22.899 -21.024 1.00 0.00 O ATOM 321 CB VAL A 22 7.736 20.557 -20.144 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.941 20.840 -21.624 1.00 0.00 C ATOM 323 CG2 VAL A 22 9.066 20.291 -19.454 1.00 0.00 C ATOM 0 H VAL A 22 7.047 20.528 -17.746 1.00 0.00 H new ATOM 0 HA VAL A 22 7.629 22.618 -19.517 1.00 0.00 H new ATOM 0 HB VAL A 22 7.119 19.663 -20.053 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.461 20.001 -22.086 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.973 20.977 -22.106 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.536 21.746 -21.742 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.572 19.460 -19.946 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.691 21.182 -19.512 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.889 20.040 -18.408 1.00 0.00 H new ATOM 333 N GLY A 23 4.680 21.181 -19.900 1.00 0.00 N ATOM 334 CA GLY A 23 3.388 21.341 -20.543 1.00 0.00 C ATOM 335 C GLY A 23 2.793 22.716 -20.314 1.00 0.00 C ATOM 336 O GLY A 23 2.216 23.310 -21.226 1.00 0.00 O ATOM 0 H GLY A 23 4.731 20.420 -19.223 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.495 21.168 -21.614 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.701 20.584 -20.165 1.00 0.00 H new ATOM 340 N LEU A 24 2.930 23.223 -19.094 1.00 0.00 N ATOM 341 CA LEU A 24 2.399 24.537 -18.748 1.00 0.00 C ATOM 342 C LEU A 24 3.232 25.645 -19.383 1.00 0.00 C ATOM 343 O LEU A 24 2.705 26.500 -20.095 1.00 0.00 O ATOM 344 CB LEU A 24 2.372 24.713 -17.228 1.00 0.00 C ATOM 345 CG LEU A 24 0.988 24.706 -16.576 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.995 23.853 -15.317 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.541 26.126 -16.259 1.00 0.00 C ATOM 0 H LEU A 24 3.404 22.745 -18.328 1.00 0.00 H new ATOM 0 HA LEU A 24 1.382 24.604 -19.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.967 23.917 -16.780 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.863 25.655 -16.983 1.00 0.00 H new ATOM 0 HG LEU A 24 0.278 24.272 -17.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.002 23.860 -14.867 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.270 22.830 -15.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.717 24.257 -14.608 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.445 26.102 -15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.253 26.587 -15.574 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.495 26.707 -17.180 1.00 0.00 H new ATOM 359 N VAL A 25 4.536 25.623 -19.125 1.00 0.00 N ATOM 360 CA VAL A 25 5.442 26.624 -19.675 1.00 0.00 C ATOM 361 C VAL A 25 5.370 26.652 -21.197 1.00 0.00 C ATOM 362 O VAL A 25 5.114 27.696 -21.798 1.00 0.00 O ATOM 363 CB VAL A 25 6.897 26.360 -19.245 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.830 27.397 -19.852 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.010 26.351 -17.727 1.00 0.00 C ATOM 0 H VAL A 25 4.989 24.922 -18.538 1.00 0.00 H new ATOM 0 HA VAL A 25 5.124 27.590 -19.281 1.00 0.00 H new ATOM 0 HB VAL A 25 7.195 25.379 -19.614 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.854 27.194 -19.537 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.769 27.349 -20.939 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.537 28.391 -19.515 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.045 26.163 -17.440 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.694 27.317 -17.333 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.372 25.567 -17.319 1.00 0.00 H new ATOM 375 N ALA A 26 5.598 25.499 -21.816 1.00 0.00 N ATOM 376 CA ALA A 26 5.557 25.390 -23.269 1.00 0.00 C ATOM 377 C ALA A 26 4.237 25.917 -23.822 1.00 0.00 C ATOM 378 O ALA A 26 4.219 26.834 -24.643 1.00 0.00 O ATOM 379 CB ALA A 26 5.772 23.946 -23.696 1.00 0.00 C ATOM 0 H ALA A 26 5.813 24.626 -21.334 1.00 0.00 H new ATOM 0 HA ALA A 26 6.362 26.001 -23.678 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.739 23.879 -24.783 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.744 23.602 -23.341 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.988 23.320 -23.270 1.00 0.00 H new ATOM 385 N TYR A 27 3.135 25.331 -23.367 1.00 0.00 N ATOM 386 CA TYR A 27 1.811 25.740 -23.820 1.00 0.00 C ATOM 387 C TYR A 27 1.652 27.255 -23.741 1.00 0.00 C ATOM 388 O TYR A 27 1.545 27.934 -24.763 1.00 0.00 O ATOM 389 CB TYR A 27 0.729 25.058 -22.979 1.00 0.00 C ATOM 390 CG TYR A 27 -0.671 25.269 -23.508 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.028 24.835 -24.779 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.638 25.903 -22.737 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.307 25.027 -25.267 1.00 0.00 C ATOM 394 CE2 TYR A 27 -2.919 26.097 -23.215 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.249 25.659 -24.480 1.00 0.00 C ATOM 396 OH TYR A 27 -4.524 25.850 -24.962 1.00 0.00 O ATOM 0 H TYR A 27 3.132 24.572 -22.686 1.00 0.00 H new ATOM 0 HA TYR A 27 1.700 25.435 -24.861 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.935 23.988 -22.936 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.783 25.435 -21.958 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.293 24.339 -25.396 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.383 26.250 -21.747 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.568 24.685 -26.258 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.659 26.589 -22.601 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.064 26.308 -24.285 1.00 0.00 H new ATOM 406 N ILE A 28 1.637 27.779 -22.520 1.00 0.00 N ATOM 407 CA ILE A 28 1.493 29.214 -22.306 1.00 0.00 C ATOM 408 C ILE A 28 2.473 29.999 -23.169 1.00 0.00 C ATOM 409 O ILE A 28 2.088 30.935 -23.870 1.00 0.00 O ATOM 410 CB ILE A 28 1.713 29.587 -20.829 1.00 0.00 C ATOM 411 CG1 ILE A 28 0.691 28.874 -19.941 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.622 31.095 -20.645 1.00 0.00 C ATOM 413 CD1 ILE A 28 1.238 28.477 -18.588 1.00 0.00 C ATOM 0 H ILE A 28 1.723 27.231 -21.664 1.00 0.00 H new ATOM 0 HA ILE A 28 0.474 29.475 -22.590 1.00 0.00 H new ATOM 0 HB ILE A 28 2.711 29.263 -20.533 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.171 29.525 -19.798 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.335 27.982 -20.456 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.780 31.344 -19.596 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.385 31.582 -21.252 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.636 31.441 -20.956 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.459 27.977 -18.013 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.082 27.800 -18.721 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.568 29.368 -18.053 1.00 0.00 H new ATOM 425 N ALA A 29 3.743 29.611 -23.115 1.00 0.00 N ATOM 426 CA ALA A 29 4.780 30.277 -23.895 1.00 0.00 C ATOM 427 C ALA A 29 4.341 30.464 -25.343 1.00 0.00 C ATOM 428 O ALA A 29 4.232 31.590 -25.829 1.00 0.00 O ATOM 429 CB ALA A 29 6.077 29.486 -23.832 1.00 0.00 C ATOM 0 H ALA A 29 4.079 28.839 -22.539 1.00 0.00 H new ATOM 0 HA ALA A 29 4.949 31.264 -23.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.842 29.995 -24.419 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.406 29.408 -22.796 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.914 28.487 -24.237 1.00 0.00 H new ATOM 435 N PHE A 30 4.091 29.353 -26.030 1.00 0.00 N ATOM 436 CA PHE A 30 3.667 29.395 -27.424 1.00 0.00 C ATOM 437 C PHE A 30 2.294 30.046 -27.555 1.00 0.00 C ATOM 438 O PHE A 30 1.932 30.550 -28.618 1.00 0.00 O ATOM 439 CB PHE A 30 3.632 27.982 -28.011 1.00 0.00 C ATOM 440 CG PHE A 30 4.990 27.452 -28.377 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.610 27.849 -29.550 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.644 26.556 -27.547 1.00 0.00 C ATOM 443 CE1 PHE A 30 6.858 27.363 -29.890 1.00 0.00 C ATOM 444 CE2 PHE A 30 6.893 26.066 -27.881 1.00 0.00 C ATOM 445 CZ PHE A 30 7.500 26.470 -29.054 1.00 0.00 C ATOM 0 H PHE A 30 4.175 28.413 -25.643 1.00 0.00 H new ATOM 0 HA PHE A 30 4.388 29.994 -27.980 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.170 27.308 -27.289 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.999 27.981 -28.898 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.112 28.547 -30.207 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.173 26.237 -26.629 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.331 27.681 -30.808 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.393 25.368 -27.226 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.475 26.088 -29.317 1.00 0.00 H new ATOM 455 N LYS A 31 1.532 30.030 -26.466 1.00 0.00 N ATOM 456 CA LYS A 31 0.198 30.619 -26.458 1.00 0.00 C ATOM 457 C LYS A 31 0.260 32.111 -26.767 1.00 0.00 C ATOM 458 O LYS A 31 -0.472 32.607 -27.624 1.00 0.00 O ATOM 459 CB LYS A 31 -0.471 30.396 -25.099 1.00 0.00 C ATOM 460 CG LYS A 31 -1.878 29.833 -25.198 1.00 0.00 C ATOM 461 CD LYS A 31 -2.773 30.717 -26.050 1.00 0.00 C ATOM 462 CE LYS A 31 -4.225 30.635 -25.604 1.00 0.00 C ATOM 463 NZ LYS A 31 -4.777 29.261 -25.758 1.00 0.00 N1+ ATOM 0 H LYS A 31 1.816 29.616 -25.578 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.393 30.130 -27.233 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.143 29.715 -24.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.505 31.343 -24.560 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.841 28.831 -25.626 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.304 29.737 -24.199 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.430 31.750 -25.989 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.695 30.416 -27.095 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.302 30.942 -24.561 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.824 31.334 -26.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.778 29.255 -25.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.696 28.964 -26.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.243 28.603 -25.155 1.00 0.00 H new ATOM 477 N ARG A 32 1.138 32.820 -26.066 1.00 0.00 N ATOM 478 CA ARG A 32 1.294 34.256 -26.267 1.00 0.00 C ATOM 479 C ARG A 32 2.163 34.542 -27.488 1.00 0.00 C ATOM 480 O ARG A 32 1.860 35.432 -28.282 1.00 0.00 O ATOM 481 CB ARG A 32 1.912 34.902 -25.026 1.00 0.00 C ATOM 482 CG ARG A 32 2.674 36.184 -25.321 1.00 0.00 C ATOM 483 CD ARG A 32 1.784 37.219 -25.991 1.00 0.00 C ATOM 484 NE ARG A 32 1.827 38.506 -25.302 1.00 0.00 N ATOM 485 CZ ARG A 32 1.131 38.774 -24.202 1.00 0.00 C ATOM 486 NH1 ARG A 32 0.344 37.850 -23.670 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 1.223 39.969 -23.633 1.00 0.00 N ATOM 0 H ARG A 32 1.752 32.424 -25.354 1.00 0.00 H new ATOM 0 HA ARG A 32 0.306 34.683 -26.437 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.121 35.117 -24.307 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.587 34.189 -24.554 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.074 36.593 -24.393 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.525 35.963 -25.965 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.098 37.351 -27.026 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.757 36.854 -26.014 1.00 0.00 H new ATOM 0 HE ARG A 32 2.424 39.239 -25.686 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.271 36.930 -24.105 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.189 38.059 -22.826 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.828 40.682 -24.040 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.689 40.174 -22.789 1.00 0.00 H new ATOM 789 N ILE B 110 -10.142 10.835 -9.328 1.00 0.00 N ATOM 790 CA ILE B 110 -10.743 11.007 -10.645 1.00 0.00 C ATOM 791 C ILE B 110 -10.299 12.318 -11.284 1.00 0.00 C ATOM 792 O ILE B 110 -9.732 12.344 -12.378 1.00 0.00 O ATOM 793 CB ILE B 110 -12.281 10.981 -10.569 1.00 0.00 C ATOM 794 CG1 ILE B 110 -12.794 9.544 -10.679 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.879 11.848 -11.667 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.990 9.261 -9.795 1.00 0.00 C ATOM 0 HA ILE B 110 -10.403 10.173 -11.259 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.590 11.384 -9.605 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.062 9.341 -11.716 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -11.988 8.858 -10.418 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.967 11.820 -11.601 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.535 12.875 -11.548 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.565 11.471 -12.640 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.300 8.224 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.721 9.432 -8.753 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -14.811 9.923 -10.071 1.00 0.00 H new ATOM 808 N PRO B 111 -10.558 13.434 -10.586 1.00 0.00 N ATOM 809 CA PRO B 111 -10.190 14.770 -11.065 1.00 0.00 C ATOM 810 C PRO B 111 -8.682 14.996 -11.054 1.00 0.00 C ATOM 811 O PRO B 111 -8.123 15.570 -11.988 1.00 0.00 O ATOM 812 CB PRO B 111 -10.879 15.706 -10.069 1.00 0.00 C ATOM 813 CG PRO B 111 -11.021 14.898 -8.826 1.00 0.00 C ATOM 814 CD PRO B 111 -11.229 13.478 -9.276 1.00 0.00 C ATOM 0 HA PRO B 111 -10.493 14.929 -12.100 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -10.285 16.603 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.850 16.034 -10.441 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.132 14.983 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.864 15.246 -8.229 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.791 12.766 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.288 13.234 -9.358 1.00 0.00 H new ATOM 822 N VAL B 112 -8.029 14.541 -9.990 1.00 0.00 N ATOM 823 CA VAL B 112 -6.585 14.691 -9.857 1.00 0.00 C ATOM 824 C VAL B 112 -5.859 14.113 -11.067 1.00 0.00 C ATOM 825 O VAL B 112 -5.123 14.820 -11.758 1.00 0.00 O ATOM 826 CB VAL B 112 -6.063 14.003 -8.582 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.584 14.300 -8.381 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.872 14.443 -7.371 1.00 0.00 C ATOM 0 H VAL B 112 -8.477 14.065 -9.207 1.00 0.00 H new ATOM 0 HA VAL B 112 -6.383 15.760 -9.792 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.180 12.926 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.233 13.805 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.019 13.932 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.439 15.376 -8.286 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.490 13.947 -6.479 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.788 15.523 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.918 14.174 -7.515 1.00 0.00 H new ATOM 838 N TYR B 113 -6.069 12.826 -11.316 1.00 0.00 N ATOM 839 CA TYR B 113 -5.433 12.151 -12.442 1.00 0.00 C ATOM 840 C TYR B 113 -5.765 12.853 -13.755 1.00 0.00 C ATOM 841 O TYR B 113 -4.911 12.995 -14.630 1.00 0.00 O ATOM 842 CB TYR B 113 -5.877 10.690 -12.505 1.00 0.00 C ATOM 843 CG TYR B 113 -5.080 9.775 -11.602 1.00 0.00 C ATOM 844 CD1 TYR B 113 -4.931 10.057 -10.250 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.477 8.628 -12.102 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.203 9.225 -9.422 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.748 7.788 -11.282 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.614 8.092 -9.943 1.00 0.00 C ATOM 849 OH TYR B 113 -2.889 7.259 -9.121 1.00 0.00 O ATOM 0 H TYR B 113 -6.675 12.228 -10.754 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.354 12.189 -12.293 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.931 10.627 -12.233 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.791 10.337 -13.533 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.393 10.943 -9.839 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.580 8.388 -13.150 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -4.096 9.460 -8.373 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.286 6.899 -11.687 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.541 6.506 -9.643 1.00 0.00 H new ATOM 859 N ALA B 114 -7.013 13.290 -13.886 1.00 0.00 N ATOM 860 CA ALA B 114 -7.459 13.979 -15.090 1.00 0.00 C ATOM 861 C ALA B 114 -6.539 15.148 -15.426 1.00 0.00 C ATOM 862 O ALA B 114 -6.011 15.237 -16.535 1.00 0.00 O ATOM 863 CB ALA B 114 -8.891 14.464 -14.921 1.00 0.00 C ATOM 0 H ALA B 114 -7.733 13.179 -13.172 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.422 13.271 -15.918 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.211 14.977 -15.828 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.545 13.611 -14.737 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.945 15.152 -14.077 1.00 0.00 H new ATOM 869 N SER B 115 -6.353 16.045 -14.463 1.00 0.00 N ATOM 870 CA SER B 115 -5.500 17.212 -14.659 1.00 0.00 C ATOM 871 C SER B 115 -4.062 16.791 -14.946 1.00 0.00 C ATOM 872 O SER B 115 -3.480 17.185 -15.957 1.00 0.00 O ATOM 873 CB SER B 115 -5.543 18.113 -13.424 1.00 0.00 C ATOM 874 OG SER B 115 -5.082 17.427 -12.274 1.00 0.00 O ATOM 0 H SER B 115 -6.781 15.986 -13.539 1.00 0.00 H new ATOM 0 HA SER B 115 -5.876 17.767 -15.518 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.929 18.997 -13.594 1.00 0.00 H new ATOM 0 HB3 SER B 115 -6.563 18.460 -13.259 1.00 0.00 H new ATOM 0 HG SER B 115 -5.418 16.507 -12.285 1.00 0.00 H new ATOM 880 N ILE B 116 -3.496 15.991 -14.049 1.00 0.00 N ATOM 881 CA ILE B 116 -2.127 15.516 -14.207 1.00 0.00 C ATOM 882 C ILE B 116 -1.904 14.931 -15.597 1.00 0.00 C ATOM 883 O ILE B 116 -0.887 15.199 -16.240 1.00 0.00 O ATOM 884 CB ILE B 116 -1.775 14.451 -13.152 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.849 15.050 -11.746 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.392 13.877 -13.418 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.829 14.013 -10.646 1.00 0.00 C ATOM 0 H ILE B 116 -3.964 15.658 -13.206 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.477 16.380 -14.071 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.501 13.641 -13.220 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -1.011 15.733 -11.606 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.760 15.642 -11.660 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.159 13.126 -12.663 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.373 13.417 -14.406 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.348 14.676 -13.375 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.884 14.509 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.682 13.345 -10.761 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.906 13.436 -10.706 1.00 0.00 H new ATOM 899 N LEU B 117 -2.861 14.134 -16.058 1.00 0.00 N ATOM 900 CA LEU B 117 -2.771 13.511 -17.374 1.00 0.00 C ATOM 901 C LEU B 117 -2.715 14.568 -18.473 1.00 0.00 C ATOM 902 O LEU B 117 -1.965 14.435 -19.438 1.00 0.00 O ATOM 903 CB LEU B 117 -3.964 12.583 -17.604 1.00 0.00 C ATOM 904 CG LEU B 117 -3.718 11.096 -17.344 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.594 10.579 -18.229 1.00 0.00 C ATOM 906 CD2 LEU B 117 -3.397 10.857 -15.876 1.00 0.00 C ATOM 0 H LEU B 117 -3.709 13.904 -15.540 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.852 12.926 -17.410 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.783 12.912 -16.965 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.297 12.701 -18.635 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.628 10.548 -17.590 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.433 9.519 -18.031 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.864 10.715 -19.276 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.679 11.132 -18.015 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -3.225 9.794 -15.710 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.502 11.416 -15.604 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.234 11.190 -15.262 1.00 0.00 H new ATOM 918 N ALA B 118 -3.514 15.619 -18.318 1.00 0.00 N ATOM 919 CA ALA B 118 -3.553 16.700 -19.294 1.00 0.00 C ATOM 920 C ALA B 118 -2.185 17.362 -19.435 1.00 0.00 C ATOM 921 O ALA B 118 -1.683 17.539 -20.544 1.00 0.00 O ATOM 922 CB ALA B 118 -4.601 17.730 -18.900 1.00 0.00 C ATOM 0 H ALA B 118 -4.143 15.744 -17.525 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.823 16.274 -20.260 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.619 18.532 -19.638 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.581 17.254 -18.857 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.355 18.143 -17.922 1.00 0.00 H new ATOM 928 N ALA B 119 -1.590 17.725 -18.304 1.00 0.00 N ATOM 929 CA ALA B 119 -0.280 18.366 -18.302 1.00 0.00 C ATOM 930 C ALA B 119 0.761 17.488 -18.987 1.00 0.00 C ATOM 931 O ALA B 119 1.628 17.984 -19.706 1.00 0.00 O ATOM 932 CB ALA B 119 0.149 18.683 -16.877 1.00 0.00 C ATOM 0 H ALA B 119 -1.994 17.586 -17.378 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.357 19.298 -18.863 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.128 19.161 -16.890 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.577 19.355 -16.419 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.203 17.760 -16.300 1.00 0.00 H new ATOM 938 N VAL B 120 0.670 16.182 -18.760 1.00 0.00 N ATOM 939 CA VAL B 120 1.605 15.235 -19.357 1.00 0.00 C ATOM 940 C VAL B 120 1.327 15.053 -20.845 1.00 0.00 C ATOM 941 O VAL B 120 2.251 14.985 -21.656 1.00 0.00 O ATOM 942 CB VAL B 120 1.534 13.863 -18.662 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.364 12.752 -19.686 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.777 13.632 -17.815 1.00 0.00 C ATOM 0 H VAL B 120 -0.042 15.755 -18.167 1.00 0.00 H new ATOM 0 HA VAL B 120 2.604 15.650 -19.225 1.00 0.00 H new ATOM 0 HB VAL B 120 0.665 13.853 -18.004 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.316 11.790 -19.175 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.443 12.912 -20.246 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.211 12.756 -20.372 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.711 12.658 -17.330 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.662 13.662 -18.451 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.850 14.411 -17.056 1.00 0.00 H new ATOM 954 N VAL B 121 0.047 14.974 -21.198 1.00 0.00 N ATOM 955 CA VAL B 121 -0.353 14.801 -22.589 1.00 0.00 C ATOM 956 C VAL B 121 0.004 16.028 -23.420 1.00 0.00 C ATOM 957 O VAL B 121 0.483 15.909 -24.549 1.00 0.00 O ATOM 958 CB VAL B 121 -1.865 14.535 -22.709 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.292 14.529 -24.169 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.230 13.223 -22.032 1.00 0.00 C ATOM 0 H VAL B 121 -0.730 15.027 -20.539 1.00 0.00 H new ATOM 0 HA VAL B 121 0.192 13.937 -22.970 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.399 15.339 -22.203 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.363 14.340 -24.234 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -2.067 15.496 -24.618 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.752 13.747 -24.703 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.302 13.051 -22.126 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.688 12.405 -22.507 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.962 13.271 -20.977 1.00 0.00 H new ATOM 970 N VAL B 122 -0.232 17.208 -22.855 1.00 0.00 N ATOM 971 CA VAL B 122 0.067 18.458 -23.543 1.00 0.00 C ATOM 972 C VAL B 122 1.571 18.690 -23.635 1.00 0.00 C ATOM 973 O VAL B 122 2.081 19.124 -24.666 1.00 0.00 O ATOM 974 CB VAL B 122 -0.584 19.660 -22.832 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.300 20.947 -23.590 1.00 0.00 C ATOM 976 CG2 VAL B 122 -2.081 19.440 -22.678 1.00 0.00 C ATOM 0 H VAL B 122 -0.629 17.324 -21.923 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.346 18.372 -24.548 1.00 0.00 H new ATOM 0 HB VAL B 122 -0.149 19.751 -21.837 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.768 21.785 -23.073 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.777 21.108 -23.642 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.705 20.872 -24.599 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.525 20.298 -22.174 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.535 19.323 -23.662 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.258 18.541 -22.087 1.00 0.00 H new ATOM 986 N GLY B 123 2.278 18.396 -22.548 1.00 0.00 N ATOM 987 CA GLY B 123 3.717 18.578 -22.526 1.00 0.00 C ATOM 988 C GLY B 123 4.423 17.733 -23.568 1.00 0.00 C ATOM 989 O GLY B 123 5.389 18.179 -24.189 1.00 0.00 O ATOM 0 H GLY B 123 1.879 18.035 -21.682 1.00 0.00 H new ATOM 0 HA2 GLY B 123 3.950 19.629 -22.696 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.098 18.323 -21.537 1.00 0.00 H new ATOM 993 N LEU B 124 3.944 16.509 -23.759 1.00 0.00 N ATOM 994 CA LEU B 124 4.538 15.598 -24.732 1.00 0.00 C ATOM 995 C LEU B 124 4.245 16.058 -26.157 1.00 0.00 C ATOM 996 O LEU B 124 5.159 16.242 -26.960 1.00 0.00 O ATOM 997 CB LEU B 124 4.005 14.180 -24.523 1.00 0.00 C ATOM 998 CG LEU B 124 5.015 13.153 -24.007 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.370 12.246 -22.971 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.579 12.335 -25.159 1.00 0.00 C ATOM 0 H LEU B 124 3.146 16.124 -23.253 1.00 0.00 H new ATOM 0 HA LEU B 124 5.618 15.600 -24.583 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.173 14.226 -23.821 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.603 13.821 -25.471 1.00 0.00 H new ATOM 0 HG LEU B 124 5.837 13.687 -23.531 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.103 11.522 -22.615 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.015 12.846 -22.133 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.529 11.719 -23.422 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.296 11.610 -24.774 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.768 11.811 -25.664 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.078 12.998 -25.866 1.00 0.00 H new ATOM 1012 N VAL B 125 2.965 16.243 -26.463 1.00 0.00 N ATOM 1013 CA VAL B 125 2.553 16.685 -27.790 1.00 0.00 C ATOM 1014 C VAL B 125 3.148 18.048 -28.125 1.00 0.00 C ATOM 1015 O VAL B 125 3.834 18.206 -29.134 1.00 0.00 O ATOM 1016 CB VAL B 125 1.018 16.765 -27.903 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.610 17.257 -29.283 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.391 15.412 -27.602 1.00 0.00 C ATOM 0 H VAL B 125 2.196 16.094 -25.810 1.00 0.00 H new ATOM 0 HA VAL B 125 2.925 15.946 -28.500 1.00 0.00 H new ATOM 0 HB VAL B 125 0.653 17.480 -27.166 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.477 17.307 -29.345 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.029 18.248 -29.455 1.00 0.00 H new ATOM 0 HG13 VAL B 125 0.985 16.568 -30.040 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.693 15.487 -27.686 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.760 14.673 -28.313 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.656 15.105 -26.590 1.00 0.00 H new ATOM 1028 N ALA B 126 2.880 19.031 -27.271 1.00 0.00 N ATOM 1029 CA ALA B 126 3.392 20.380 -27.475 1.00 0.00 C ATOM 1030 C ALA B 126 4.898 20.366 -27.717 1.00 0.00 C ATOM 1031 O ALA B 126 5.371 20.806 -28.765 1.00 0.00 O ATOM 1032 CB ALA B 126 3.055 21.259 -26.279 1.00 0.00 C ATOM 0 H ALA B 126 2.311 18.918 -26.432 1.00 0.00 H new ATOM 0 HA ALA B 126 2.913 20.793 -28.362 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.443 22.264 -26.445 1.00 0.00 H new ATOM 0 HB2 ALA B 126 1.973 21.304 -26.154 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.507 20.839 -25.380 1.00 0.00 H new ATOM 1038 N TYR B 127 5.644 19.861 -26.742 1.00 0.00 N ATOM 1039 CA TYR B 127 7.096 19.793 -26.847 1.00 0.00 C ATOM 1040 C TYR B 127 7.518 19.219 -28.196 1.00 0.00 C ATOM 1041 O TYR B 127 8.049 19.933 -29.048 1.00 0.00 O ATOM 1042 CB TYR B 127 7.672 18.940 -25.716 1.00 0.00 C ATOM 1043 CG TYR B 127 9.181 18.982 -25.633 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.850 20.178 -25.406 1.00 0.00 C ATOM 1045 CD2 TYR B 127 9.937 17.825 -25.779 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.229 20.221 -25.331 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.316 17.858 -25.704 1.00 0.00 C ATOM 1048 CZ TYR B 127 11.958 19.059 -25.480 1.00 0.00 C ATOM 1049 OH TYR B 127 13.331 19.097 -25.404 1.00 0.00 O ATOM 0 H TYR B 127 5.267 19.492 -25.869 1.00 0.00 H new ATOM 0 HA TYR B 127 7.488 20.807 -26.764 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.255 19.279 -24.768 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.353 17.907 -25.853 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.283 21.089 -25.286 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.438 16.884 -25.954 1.00 0.00 H new ATOM 0 HE1 TYR B 127 11.734 21.160 -25.157 1.00 0.00 H new ATOM 0 HE2 TYR B 127 11.888 16.949 -25.820 1.00 0.00 H new ATOM 0 HH TYR B 127 13.691 18.194 -25.529 1.00 0.00 H new ATOM 1059 N ILE B 128 7.277 17.926 -28.384 1.00 0.00 N ATOM 1060 CA ILE B 128 7.629 17.256 -29.629 1.00 0.00 C ATOM 1061 C ILE B 128 7.172 18.066 -30.838 1.00 0.00 C ATOM 1062 O ILE B 128 7.961 18.366 -31.732 1.00 0.00 O ATOM 1063 CB ILE B 128 7.011 15.848 -29.705 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.522 14.980 -28.555 1.00 0.00 C ATOM 1065 CG2 ILE B 128 7.330 15.202 -31.045 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.517 13.954 -28.078 1.00 0.00 C ATOM 0 H ILE B 128 6.839 17.321 -27.689 1.00 0.00 H new ATOM 0 HA ILE B 128 8.715 17.168 -29.643 1.00 0.00 H new ATOM 0 HB ILE B 128 5.928 15.937 -29.614 1.00 0.00 H new ATOM 0 HG12 ILE B 128 8.429 14.467 -28.874 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.796 15.624 -27.719 1.00 0.00 H new ATOM 0 HG21 ILE B 128 6.887 14.207 -31.084 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.922 15.813 -31.850 1.00 0.00 H new ATOM 0 HG23 ILE B 128 8.411 15.122 -31.162 1.00 0.00 H new ATOM 0 HD11 ILE B 128 6.948 13.375 -27.261 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.618 14.461 -27.728 1.00 0.00 H new ATOM 0 HD13 ILE B 128 6.260 13.286 -28.900 1.00 0.00 H new ATOM 1078 N ALA B 129 5.890 18.420 -30.856 1.00 0.00 N ATOM 1079 CA ALA B 129 5.328 19.199 -31.952 1.00 0.00 C ATOM 1080 C ALA B 129 6.196 20.412 -32.265 1.00 0.00 C ATOM 1081 O ALA B 129 6.756 20.523 -33.356 1.00 0.00 O ATOM 1082 CB ALA B 129 3.910 19.634 -31.617 1.00 0.00 C ATOM 0 H ALA B 129 5.222 18.179 -30.124 1.00 0.00 H new ATOM 0 HA ALA B 129 5.302 18.566 -32.839 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.503 20.215 -32.444 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.289 18.754 -31.451 1.00 0.00 H new ATOM 0 HB3 ALA B 129 3.921 20.246 -30.715 1.00 0.00 H new ATOM 1088 N PHE B 130 6.304 21.321 -31.302 1.00 0.00 N ATOM 1089 CA PHE B 130 7.104 22.528 -31.475 1.00 0.00 C ATOM 1090 C PHE B 130 8.554 22.179 -31.794 1.00 0.00 C ATOM 1091 O PHE B 130 9.269 22.959 -32.423 1.00 0.00 O ATOM 1092 CB PHE B 130 7.040 23.393 -30.215 1.00 0.00 C ATOM 1093 CG PHE B 130 5.683 23.984 -29.961 1.00 0.00 C ATOM 1094 CD1 PHE B 130 5.110 24.854 -30.875 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.981 23.670 -28.809 1.00 0.00 C ATOM 1096 CE1 PHE B 130 3.862 25.400 -30.642 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.732 24.213 -28.572 1.00 0.00 C ATOM 1098 CZ PHE B 130 3.171 25.078 -29.490 1.00 0.00 C ATOM 0 H PHE B 130 5.847 21.245 -30.393 1.00 0.00 H new ATOM 0 HA PHE B 130 6.692 23.090 -32.313 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.331 22.790 -29.355 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.768 24.199 -30.300 1.00 0.00 H new ATOM 0 HD1 PHE B 130 5.644 25.108 -31.779 1.00 0.00 H new ATOM 0 HD2 PHE B 130 5.414 22.993 -28.088 1.00 0.00 H new ATOM 0 HE1 PHE B 130 3.427 26.079 -31.361 1.00 0.00 H new ATOM 0 HE2 PHE B 130 3.195 23.961 -27.669 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.194 25.502 -29.308 1.00 0.00 H new ATOM 1108 N LYS B 131 8.982 21.000 -31.356 1.00 0.00 N ATOM 1109 CA LYS B 131 10.347 20.544 -31.594 1.00 0.00 C ATOM 1110 C LYS B 131 10.628 20.426 -33.088 1.00 0.00 C ATOM 1111 O LYS B 131 11.648 20.911 -33.578 1.00 0.00 O ATOM 1112 CB LYS B 131 10.582 19.196 -30.911 1.00 0.00 C ATOM 1113 CG LYS B 131 11.886 19.126 -30.136 1.00 0.00 C ATOM 1114 CD LYS B 131 13.079 19.455 -31.018 1.00 0.00 C ATOM 1115 CE LYS B 131 14.332 18.729 -30.555 1.00 0.00 C ATOM 1116 NZ LYS B 131 14.751 19.156 -29.192 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.403 20.342 -30.834 1.00 0.00 H new ATOM 0 HA LYS B 131 11.029 21.282 -31.172 1.00 0.00 H new ATOM 0 HB2 LYS B 131 9.754 18.993 -30.232 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.575 18.410 -31.666 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.850 19.822 -29.298 1.00 0.00 H new ATOM 0 HG3 LYS B 131 12.007 18.127 -29.716 1.00 0.00 H new ATOM 0 HD2 LYS B 131 12.858 19.179 -32.049 1.00 0.00 H new ATOM 0 HD3 LYS B 131 13.255 20.531 -31.007 1.00 0.00 H new ATOM 0 HE2 LYS B 131 14.151 17.654 -30.559 1.00 0.00 H new ATOM 0 HE3 LYS B 131 15.142 18.918 -31.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 15.637 18.675 -28.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.900 20.185 -29.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 14.010 18.906 -28.507 1.00 0.00 H new ATOM 1130 N ARG B 132 9.717 19.780 -33.808 1.00 0.00 N ATOM 1131 CA ARG B 132 9.867 19.598 -35.246 1.00 0.00 C ATOM 1132 C ARG B 132 9.478 20.868 -35.998 1.00 0.00 C ATOM 1133 O ARG B 132 10.140 21.259 -36.959 1.00 0.00 O ATOM 1134 CB ARG B 132 9.011 18.425 -35.726 1.00 0.00 C ATOM 1135 CG ARG B 132 8.602 18.527 -37.187 1.00 0.00 C ATOM 1136 CD ARG B 132 9.815 18.621 -38.099 1.00 0.00 C ATOM 1137 NE ARG B 132 9.779 17.623 -39.164 1.00 0.00 N ATOM 1138 CZ ARG B 132 10.148 16.358 -38.998 1.00 0.00 C ATOM 1139 NH1 ARG B 132 10.578 15.939 -37.816 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 10.086 15.508 -40.015 1.00 0.00 N ATOM 0 H ARG B 132 8.866 19.374 -33.418 1.00 0.00 H new ATOM 0 HA ARG B 132 10.915 19.381 -35.452 1.00 0.00 H new ATOM 0 HB2 ARG B 132 9.564 17.498 -35.576 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.114 18.365 -35.110 1.00 0.00 H new ATOM 0 HG2 ARG B 132 8.006 17.656 -37.461 1.00 0.00 H new ATOM 0 HG3 ARG B 132 7.970 19.404 -37.329 1.00 0.00 H new ATOM 0 HD2 ARG B 132 9.862 19.618 -38.538 1.00 0.00 H new ATOM 0 HD3 ARG B 132 10.722 18.489 -37.510 1.00 0.00 H new ATOM 0 HE ARG B 132 9.453 17.913 -40.086 1.00 0.00 H new ATOM 0 HH11 ARG B 132 10.626 16.589 -37.031 1.00 0.00 H new ATOM 0 HH12 ARG B 132 10.861 14.967 -37.691 1.00 0.00 H new ATOM 0 HH21 ARG B 132 9.755 15.826 -40.926 1.00 0.00 H new ATOM 0 HH22 ARG B 132 10.370 14.537 -39.886 1.00 0.00 H new