USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=6 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 Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -74:sc= 0.733 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot -91:sc= 1.18 USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 11.495 8.246 -6.690 1.00 0.00 N ATOM 137 CA ILE A 10 12.362 9.346 -7.094 1.00 0.00 C ATOM 138 C ILE A 10 12.204 9.654 -8.579 1.00 0.00 C ATOM 139 O ILE A 10 11.974 10.795 -8.980 1.00 0.00 O ATOM 140 CB ILE A 10 13.842 9.033 -6.799 1.00 0.00 C ATOM 141 CG1 ILE A 10 13.962 8.163 -5.546 1.00 0.00 C ATOM 142 CG2 ILE A 10 14.633 10.323 -6.634 1.00 0.00 C ATOM 143 CD1 ILE A 10 13.171 8.687 -4.369 1.00 0.00 C ATOM 0 HA ILE A 10 12.060 10.217 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 10 14.257 8.481 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.624 7.154 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.012 8.089 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.676 10.086 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.570 10.908 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.220 10.900 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.303 8.021 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.525 9.684 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.114 8.734 -4.633 1.00 0.00 H new ATOM 155 N PRO A 11 12.329 8.613 -9.415 1.00 0.00 N ATOM 156 CA PRO A 11 12.202 8.747 -10.870 1.00 0.00 C ATOM 157 C PRO A 11 10.770 9.048 -11.301 1.00 0.00 C ATOM 158 O PRO A 11 10.531 9.937 -12.118 1.00 0.00 O ATOM 159 CB PRO A 11 12.640 7.377 -11.391 1.00 0.00 C ATOM 160 CG PRO A 11 12.371 6.438 -10.266 1.00 0.00 C ATOM 161 CD PRO A 11 12.603 7.226 -9.006 1.00 0.00 C ATOM 0 HA PRO A 11 12.796 9.575 -11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.081 7.096 -12.283 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.695 7.376 -11.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.349 6.061 -10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.032 5.573 -10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.939 6.905 -8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.623 7.109 -8.641 1.00 0.00 H new ATOM 169 N VAL A 12 9.821 8.302 -10.745 1.00 0.00 N ATOM 170 CA VAL A 12 8.412 8.490 -11.072 1.00 0.00 C ATOM 171 C VAL A 12 8.013 9.957 -10.959 1.00 0.00 C ATOM 172 O VAL A 12 7.617 10.581 -11.944 1.00 0.00 O ATOM 173 CB VAL A 12 7.506 7.651 -10.151 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.043 7.848 -10.518 1.00 0.00 C ATOM 175 CG2 VAL A 12 7.889 6.181 -10.223 1.00 0.00 C ATOM 0 H VAL A 12 10.002 7.562 -10.066 1.00 0.00 H new ATOM 0 HA VAL A 12 8.279 8.158 -12.102 1.00 0.00 H new ATOM 0 HB VAL A 12 7.647 7.990 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.418 7.248 -9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.779 8.900 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.882 7.538 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.239 5.603 -9.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.778 5.826 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.925 6.059 -9.907 1.00 0.00 H new ATOM 185 N TYR A 13 8.122 10.504 -9.753 1.00 0.00 N ATOM 186 CA TYR A 13 7.771 11.898 -9.511 1.00 0.00 C ATOM 187 C TYR A 13 8.621 12.830 -10.368 1.00 0.00 C ATOM 188 O TYR A 13 8.118 13.793 -10.946 1.00 0.00 O ATOM 189 CB TYR A 13 7.950 12.241 -8.031 1.00 0.00 C ATOM 190 CG TYR A 13 6.755 11.881 -7.177 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.151 10.634 -7.284 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.231 12.787 -6.263 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.059 10.300 -6.507 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.140 12.461 -5.481 1.00 0.00 C ATOM 195 CZ TYR A 13 4.557 11.217 -5.607 1.00 0.00 C ATOM 196 OH TYR A 13 3.470 10.889 -4.829 1.00 0.00 O ATOM 0 H TYR A 13 8.451 10.003 -8.928 1.00 0.00 H new ATOM 0 HA TYR A 13 6.725 12.036 -9.785 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.828 11.720 -7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.146 13.309 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.542 9.913 -7.987 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.684 13.762 -6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.601 9.327 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.745 13.176 -4.775 1.00 0.00 H new ATOM 0 HH TYR A 13 3.243 11.645 -4.248 1.00 0.00 H new ATOM 206 N ALA A 14 9.915 12.538 -10.443 1.00 0.00 N ATOM 207 CA ALA A 14 10.838 13.347 -11.231 1.00 0.00 C ATOM 208 C ALA A 14 10.336 13.515 -12.661 1.00 0.00 C ATOM 209 O ALA A 14 10.207 14.635 -13.156 1.00 0.00 O ATOM 210 CB ALA A 14 12.225 12.723 -11.225 1.00 0.00 C ATOM 0 H ALA A 14 10.349 11.747 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 14 10.896 14.336 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.903 13.338 -11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.592 12.662 -10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.175 11.722 -11.653 1.00 0.00 H new ATOM 216 N SER A 15 10.057 12.395 -13.320 1.00 0.00 N ATOM 217 CA SER A 15 9.575 12.418 -14.696 1.00 0.00 C ATOM 218 C SER A 15 8.232 13.138 -14.789 1.00 0.00 C ATOM 219 O SER A 15 8.075 14.081 -15.564 1.00 0.00 O ATOM 220 CB SER A 15 9.441 10.993 -15.236 1.00 0.00 C ATOM 221 OG SER A 15 8.835 10.141 -14.280 1.00 0.00 O ATOM 0 H SER A 15 10.156 11.461 -12.923 1.00 0.00 H new ATOM 0 HA SER A 15 10.302 12.961 -15.301 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.846 11.001 -16.149 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.425 10.607 -15.500 1.00 0.00 H new ATOM 0 HG SER A 15 9.478 9.937 -13.569 1.00 0.00 H new ATOM 227 N ILE A 16 7.269 12.685 -13.993 1.00 0.00 N ATOM 228 CA ILE A 16 5.941 13.286 -13.984 1.00 0.00 C ATOM 229 C ILE A 16 6.024 14.800 -13.825 1.00 0.00 C ATOM 230 O ILE A 16 5.322 15.546 -14.509 1.00 0.00 O ATOM 231 CB ILE A 16 5.070 12.708 -12.854 1.00 0.00 C ATOM 232 CG1 ILE A 16 4.842 11.211 -13.070 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.741 13.446 -12.780 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.284 10.502 -11.855 1.00 0.00 C ATOM 0 H ILE A 16 7.384 11.904 -13.346 1.00 0.00 H new ATOM 0 HA ILE A 16 5.480 13.049 -14.943 1.00 0.00 H new ATOM 0 HB ILE A 16 5.593 12.844 -11.907 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.158 11.073 -13.907 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.786 10.745 -13.351 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.136 13.026 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.922 14.503 -12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.212 13.338 -13.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.148 9.444 -12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.978 10.608 -11.021 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.324 10.942 -11.586 1.00 0.00 H new ATOM 246 N LEU A 17 6.885 15.247 -12.918 1.00 0.00 N ATOM 247 CA LEU A 17 7.062 16.674 -12.669 1.00 0.00 C ATOM 248 C LEU A 17 7.501 17.398 -13.937 1.00 0.00 C ATOM 249 O LEU A 17 6.941 18.431 -14.300 1.00 0.00 O ATOM 250 CB LEU A 17 8.090 16.894 -11.559 1.00 0.00 C ATOM 251 CG LEU A 17 7.526 17.176 -10.166 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.704 15.994 -9.675 1.00 0.00 C ATOM 253 CD2 LEU A 17 8.649 17.490 -9.189 1.00 0.00 C ATOM 0 H LEU A 17 7.472 14.643 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 17 6.103 17.084 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.725 16.010 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.731 17.728 -11.845 1.00 0.00 H new ATOM 0 HG LEU A 17 6.873 18.046 -10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.310 16.212 -8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.877 15.815 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.335 15.106 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.229 17.688 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.328 16.640 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.196 18.368 -9.533 1.00 0.00 H new ATOM 265 N ALA A 18 8.507 16.847 -14.608 1.00 0.00 N ATOM 266 CA ALA A 18 9.019 17.437 -15.839 1.00 0.00 C ATOM 267 C ALA A 18 7.904 17.627 -16.862 1.00 0.00 C ATOM 268 O ALA A 18 7.768 18.697 -17.454 1.00 0.00 O ATOM 269 CB ALA A 18 10.128 16.571 -16.418 1.00 0.00 C ATOM 0 H ALA A 18 8.984 15.993 -14.320 1.00 0.00 H new ATOM 0 HA ALA A 18 9.428 18.419 -15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.501 17.024 -17.337 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.941 16.491 -15.697 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.737 15.577 -16.636 1.00 0.00 H new ATOM 275 N ALA A 19 7.110 16.580 -17.067 1.00 0.00 N ATOM 276 CA ALA A 19 6.007 16.633 -18.018 1.00 0.00 C ATOM 277 C ALA A 19 5.060 17.784 -17.697 1.00 0.00 C ATOM 278 O ALA A 19 4.619 18.506 -18.591 1.00 0.00 O ATOM 279 CB ALA A 19 5.252 15.312 -18.023 1.00 0.00 C ATOM 0 H ALA A 19 7.211 15.686 -16.587 1.00 0.00 H new ATOM 0 HA ALA A 19 6.423 16.806 -19.011 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.431 15.365 -18.738 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.929 14.507 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.854 15.116 -17.027 1.00 0.00 H new ATOM 285 N VAL A 20 4.751 17.951 -16.415 1.00 0.00 N ATOM 286 CA VAL A 20 3.856 19.015 -15.977 1.00 0.00 C ATOM 287 C VAL A 20 4.440 20.388 -16.289 1.00 0.00 C ATOM 288 O VAL A 20 3.829 21.188 -16.996 1.00 0.00 O ATOM 289 CB VAL A 20 3.572 18.922 -14.465 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.458 19.881 -14.071 1.00 0.00 C ATOM 291 CG2 VAL A 20 3.219 17.494 -14.077 1.00 0.00 C ATOM 0 H VAL A 20 5.107 17.363 -15.662 1.00 0.00 H new ATOM 0 HA VAL A 20 2.922 18.888 -16.524 1.00 0.00 H new ATOM 0 HB VAL A 20 4.474 19.209 -13.925 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.271 19.801 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.754 20.902 -14.313 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.550 19.628 -14.617 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.021 17.446 -13.006 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.331 17.177 -14.624 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.051 16.834 -14.322 1.00 0.00 H new ATOM 301 N VAL A 21 5.629 20.654 -15.756 1.00 0.00 N ATOM 302 CA VAL A 21 6.298 21.930 -15.980 1.00 0.00 C ATOM 303 C VAL A 21 6.340 22.277 -17.463 1.00 0.00 C ATOM 304 O VAL A 21 5.965 23.379 -17.865 1.00 0.00 O ATOM 305 CB VAL A 21 7.736 21.915 -15.428 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.428 23.241 -15.702 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.731 21.604 -13.938 1.00 0.00 C ATOM 0 H VAL A 21 6.148 20.003 -15.167 1.00 0.00 H new ATOM 0 HA VAL A 21 5.720 22.686 -15.449 1.00 0.00 H new ATOM 0 HB VAL A 21 8.294 21.130 -15.938 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.443 23.211 -15.305 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.464 23.417 -16.777 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.874 24.047 -15.221 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.755 21.597 -13.564 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.157 22.365 -13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.278 20.627 -13.772 1.00 0.00 H new ATOM 317 N VAL A 22 6.796 21.329 -18.275 1.00 0.00 N ATOM 318 CA VAL A 22 6.884 21.532 -19.716 1.00 0.00 C ATOM 319 C VAL A 22 5.511 21.810 -20.317 1.00 0.00 C ATOM 320 O VAL A 22 5.353 22.706 -21.144 1.00 0.00 O ATOM 321 CB VAL A 22 7.504 20.309 -20.419 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.639 20.564 -21.912 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.852 19.967 -19.804 1.00 0.00 C ATOM 0 H VAL A 22 7.111 20.412 -17.959 1.00 0.00 H new ATOM 0 HA VAL A 22 7.528 22.397 -19.875 1.00 0.00 H new ATOM 0 HB VAL A 22 6.840 19.456 -20.279 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.079 19.690 -22.392 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.655 20.756 -22.339 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.281 21.430 -22.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.275 19.101 -20.313 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.527 20.816 -19.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.722 19.738 -18.746 1.00 0.00 H new ATOM 333 N GLY A 23 4.518 21.033 -19.895 1.00 0.00 N ATOM 334 CA GLY A 23 3.171 21.210 -20.402 1.00 0.00 C ATOM 335 C GLY A 23 2.653 22.620 -20.194 1.00 0.00 C ATOM 336 O GLY A 23 1.979 23.177 -21.061 1.00 0.00 O ATOM 0 H GLY A 23 4.623 20.284 -19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.153 20.973 -21.466 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.504 20.505 -19.906 1.00 0.00 H new ATOM 340 N LEU A 24 2.968 23.199 -19.040 1.00 0.00 N ATOM 341 CA LEU A 24 2.530 24.553 -18.719 1.00 0.00 C ATOM 342 C LEU A 24 3.273 25.582 -19.566 1.00 0.00 C ATOM 343 O LEU A 24 2.661 26.341 -20.317 1.00 0.00 O ATOM 344 CB LEU A 24 2.750 24.843 -17.234 1.00 0.00 C ATOM 345 CG LEU A 24 1.489 25.077 -16.401 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.718 24.655 -14.957 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.068 26.537 -16.471 1.00 0.00 C ATOM 0 H LEU A 24 3.525 22.752 -18.312 1.00 0.00 H new ATOM 0 HA LEU A 24 1.466 24.626 -18.943 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.299 24.008 -16.799 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.387 25.723 -17.147 1.00 0.00 H new ATOM 0 HG LEU A 24 0.685 24.467 -16.813 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.810 24.829 -14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.973 23.596 -14.924 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.535 25.238 -14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.169 26.686 -15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.870 27.166 -16.084 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.863 26.807 -17.507 1.00 0.00 H new ATOM 359 N VAL A 25 4.596 25.599 -19.439 1.00 0.00 N ATOM 360 CA VAL A 25 5.424 26.531 -20.195 1.00 0.00 C ATOM 361 C VAL A 25 5.138 26.433 -21.690 1.00 0.00 C ATOM 362 O VAL A 25 4.760 27.417 -22.325 1.00 0.00 O ATOM 363 CB VAL A 25 6.923 26.274 -19.953 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.769 27.224 -20.787 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.254 26.410 -18.475 1.00 0.00 C ATOM 0 H VAL A 25 5.117 24.978 -18.820 1.00 0.00 H new ATOM 0 HA VAL A 25 5.173 27.532 -19.845 1.00 0.00 H new ATOM 0 HB VAL A 25 7.154 25.254 -20.261 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.825 27.028 -20.603 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.551 27.073 -21.844 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.538 28.253 -20.512 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.317 26.225 -18.322 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.009 27.417 -18.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.674 25.685 -17.904 1.00 0.00 H new ATOM 375 N ALA A 26 5.320 25.239 -22.244 1.00 0.00 N ATOM 376 CA ALA A 26 5.079 25.013 -23.664 1.00 0.00 C ATOM 377 C ALA A 26 3.704 25.527 -24.077 1.00 0.00 C ATOM 378 O ALA A 26 3.574 26.264 -25.055 1.00 0.00 O ATOM 379 CB ALA A 26 5.212 23.532 -23.991 1.00 0.00 C ATOM 0 H ALA A 26 5.633 24.414 -21.732 1.00 0.00 H new ATOM 0 HA ALA A 26 5.829 25.568 -24.228 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.030 23.376 -25.054 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.218 23.193 -23.742 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.484 22.965 -23.411 1.00 0.00 H new ATOM 385 N TYR A 27 2.681 25.134 -23.326 1.00 0.00 N ATOM 386 CA TYR A 27 1.315 25.552 -23.618 1.00 0.00 C ATOM 387 C TYR A 27 1.216 27.073 -23.694 1.00 0.00 C ATOM 388 O TYR A 27 0.579 27.621 -24.594 1.00 0.00 O ATOM 389 CB TYR A 27 0.358 25.021 -22.549 1.00 0.00 C ATOM 390 CG TYR A 27 -0.955 25.768 -22.486 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.107 26.877 -21.663 1.00 0.00 C ATOM 392 CD2 TYR A 27 -2.043 25.364 -23.249 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.305 27.562 -21.602 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.245 26.045 -23.195 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.370 27.143 -22.370 1.00 0.00 C ATOM 396 OH TYR A 27 -4.566 27.822 -22.313 1.00 0.00 O ATOM 0 H TYR A 27 2.772 24.527 -22.511 1.00 0.00 H new ATOM 0 HA TYR A 27 1.034 25.138 -24.586 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.158 23.967 -22.744 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.846 25.078 -21.576 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.274 27.209 -21.061 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.948 24.504 -23.895 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.407 28.421 -20.956 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.081 25.719 -23.796 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.212 27.398 -22.916 1.00 0.00 H new ATOM 406 N ILE A 28 1.851 27.749 -22.742 1.00 0.00 N ATOM 407 CA ILE A 28 1.837 29.206 -22.701 1.00 0.00 C ATOM 408 C ILE A 28 2.522 29.797 -23.928 1.00 0.00 C ATOM 409 O ILE A 28 1.971 30.669 -24.599 1.00 0.00 O ATOM 410 CB ILE A 28 2.529 29.741 -21.434 1.00 0.00 C ATOM 411 CG1 ILE A 28 1.823 29.216 -20.181 1.00 0.00 C ATOM 412 CG2 ILE A 28 2.546 31.262 -21.440 1.00 0.00 C ATOM 413 CD1 ILE A 28 2.764 28.937 -19.030 1.00 0.00 C ATOM 0 H ILE A 28 2.381 27.311 -21.989 1.00 0.00 H new ATOM 0 HA ILE A 28 0.790 29.511 -22.689 1.00 0.00 H new ATOM 0 HB ILE A 28 3.560 29.386 -21.424 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.077 29.944 -19.862 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.287 28.300 -20.432 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.039 31.624 -20.538 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.088 31.616 -22.317 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.523 31.637 -21.470 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.195 28.568 -18.176 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.495 28.186 -19.331 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.281 29.855 -18.752 1.00 0.00 H new ATOM 425 N ALA A 29 3.726 29.314 -24.217 1.00 0.00 N ATOM 426 CA ALA A 29 4.486 29.792 -25.365 1.00 0.00 C ATOM 427 C ALA A 29 3.701 29.600 -26.660 1.00 0.00 C ATOM 428 O ALA A 29 3.716 30.463 -27.539 1.00 0.00 O ATOM 429 CB ALA A 29 5.826 29.075 -25.447 1.00 0.00 C ATOM 0 H ALA A 29 4.196 28.592 -23.671 1.00 0.00 H new ATOM 0 HA ALA A 29 4.665 30.859 -25.233 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.383 29.442 -26.309 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.397 29.266 -24.538 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.659 28.003 -25.552 1.00 0.00 H new ATOM 435 N PHE A 30 3.019 28.466 -26.770 1.00 0.00 N ATOM 436 CA PHE A 30 2.230 28.161 -27.958 1.00 0.00 C ATOM 437 C PHE A 30 0.974 29.027 -28.015 1.00 0.00 C ATOM 438 O PHE A 30 0.435 29.290 -29.089 1.00 0.00 O ATOM 439 CB PHE A 30 1.842 26.681 -27.974 1.00 0.00 C ATOM 440 CG PHE A 30 1.055 26.279 -29.188 1.00 0.00 C ATOM 441 CD1 PHE A 30 1.693 26.026 -30.391 1.00 0.00 C ATOM 442 CD2 PHE A 30 -0.324 26.155 -29.126 1.00 0.00 C ATOM 443 CE1 PHE A 30 0.971 25.658 -31.511 1.00 0.00 C ATOM 444 CE2 PHE A 30 -1.051 25.787 -30.242 1.00 0.00 C ATOM 445 CZ PHE A 30 -0.403 25.536 -31.436 1.00 0.00 C ATOM 0 H PHE A 30 2.996 27.743 -26.051 1.00 0.00 H new ATOM 0 HA PHE A 30 2.841 28.379 -28.834 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.747 26.076 -27.921 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.257 26.458 -27.082 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.767 26.117 -30.455 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.836 26.348 -28.195 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.481 25.466 -32.444 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.125 25.696 -30.181 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.969 25.245 -32.309 1.00 0.00 H new ATOM 455 N LYS A 31 0.515 29.467 -26.848 1.00 0.00 N ATOM 456 CA LYS A 31 -0.677 30.304 -26.763 1.00 0.00 C ATOM 457 C LYS A 31 -0.334 31.767 -27.030 1.00 0.00 C ATOM 458 O LYS A 31 -1.185 32.544 -27.464 1.00 0.00 O ATOM 459 CB LYS A 31 -1.325 30.165 -25.383 1.00 0.00 C ATOM 460 CG LYS A 31 -2.187 31.352 -24.994 1.00 0.00 C ATOM 461 CD LYS A 31 -2.882 31.124 -23.662 1.00 0.00 C ATOM 462 CE LYS A 31 -3.179 32.437 -22.955 1.00 0.00 C ATOM 463 NZ LYS A 31 -4.224 33.226 -23.665 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.949 29.258 -25.949 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.382 29.969 -27.524 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.936 29.262 -25.367 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.543 30.034 -24.635 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.569 32.248 -24.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.933 31.531 -25.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.812 30.579 -23.824 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.254 30.501 -23.025 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.507 32.234 -21.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.265 33.026 -22.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.398 34.114 -23.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.901 33.442 -24.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.105 32.674 -23.710 1.00 0.00 H new ATOM 477 N ARG A 32 0.915 32.134 -26.768 1.00 0.00 N ATOM 478 CA ARG A 32 1.370 33.504 -26.981 1.00 0.00 C ATOM 479 C ARG A 32 1.698 33.746 -28.451 1.00 0.00 C ATOM 480 O ARG A 32 1.299 34.758 -29.028 1.00 0.00 O ATOM 481 CB ARG A 32 2.599 33.795 -26.118 1.00 0.00 C ATOM 482 CG ARG A 32 2.326 33.722 -24.625 1.00 0.00 C ATOM 483 CD ARG A 32 1.883 35.067 -24.072 1.00 0.00 C ATOM 484 NE ARG A 32 1.703 35.032 -22.624 1.00 0.00 N ATOM 485 CZ ARG A 32 2.710 35.063 -21.757 1.00 0.00 C ATOM 486 NH1 ARG A 32 3.961 35.131 -22.191 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 2.466 35.027 -20.454 1.00 0.00 N ATOM 0 H ARG A 32 1.631 31.503 -26.408 1.00 0.00 H new ATOM 0 HA ARG A 32 0.563 34.178 -26.692 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.386 33.084 -26.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.977 34.788 -26.362 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.555 32.976 -24.431 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.226 33.393 -24.105 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.624 35.825 -24.327 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.947 35.363 -24.546 1.00 0.00 H new ATOM 0 HE ARG A 32 0.753 34.981 -22.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.153 35.160 -23.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.732 35.155 -21.523 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.505 34.975 -20.116 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.239 35.051 -19.789 1.00 0.00 H new ATOM 789 N ILE B 110 -10.342 11.945 -8.905 1.00 0.00 N ATOM 790 CA ILE B 110 -10.769 12.140 -10.285 1.00 0.00 C ATOM 791 C ILE B 110 -10.089 13.357 -10.904 1.00 0.00 C ATOM 792 O ILE B 110 -9.502 13.288 -11.984 1.00 0.00 O ATOM 793 CB ILE B 110 -12.296 12.314 -10.382 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.000 11.408 -9.370 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.774 12.010 -11.795 1.00 0.00 C ATOM 796 CD1 ILE B 110 -12.524 9.972 -9.410 1.00 0.00 C ATOM 0 HA ILE B 110 -10.478 11.245 -10.835 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.545 13.349 -10.149 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -12.843 11.806 -8.368 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -14.073 11.432 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.855 12.137 -11.849 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.293 12.692 -12.496 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.516 10.983 -12.053 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -13.066 9.388 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -12.706 9.556 -10.401 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -11.457 9.936 -9.192 1.00 0.00 H new ATOM 808 N PRO B 111 -10.170 14.499 -10.206 1.00 0.00 N ATOM 809 CA PRO B 111 -9.566 15.753 -10.666 1.00 0.00 C ATOM 810 C PRO B 111 -8.043 15.716 -10.618 1.00 0.00 C ATOM 811 O PRO B 111 -7.370 16.173 -11.542 1.00 0.00 O ATOM 812 CB PRO B 111 -10.108 16.791 -9.680 1.00 0.00 C ATOM 813 CG PRO B 111 -10.417 16.015 -8.445 1.00 0.00 C ATOM 814 CD PRO B 111 -10.856 14.654 -8.911 1.00 0.00 C ATOM 0 HA PRO B 111 -9.811 15.965 -11.707 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.373 17.572 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -10.998 17.282 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.541 15.943 -7.800 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.201 16.501 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.565 13.875 -8.206 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -11.939 14.597 -9.021 1.00 0.00 H new ATOM 822 N VAL B 112 -7.503 15.166 -9.533 1.00 0.00 N ATOM 823 CA VAL B 112 -6.059 15.068 -9.364 1.00 0.00 C ATOM 824 C VAL B 112 -5.406 14.423 -10.582 1.00 0.00 C ATOM 825 O VAL B 112 -4.593 15.047 -11.267 1.00 0.00 O ATOM 826 CB VAL B 112 -5.694 14.254 -8.110 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.184 14.133 -7.970 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.304 14.887 -6.868 1.00 0.00 C ATOM 0 H VAL B 112 -8.045 14.782 -8.759 1.00 0.00 H new ATOM 0 HA VAL B 112 -5.685 16.085 -9.249 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.105 13.250 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -3.947 13.554 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -3.776 13.631 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -3.746 15.127 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.036 14.298 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -5.925 15.902 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.389 14.914 -6.969 1.00 0.00 H new ATOM 838 N TYR B 113 -5.768 13.173 -10.848 1.00 0.00 N ATOM 839 CA TYR B 113 -5.216 12.442 -11.983 1.00 0.00 C ATOM 840 C TYR B 113 -5.586 13.120 -13.299 1.00 0.00 C ATOM 841 O TYR B 113 -4.761 13.237 -14.203 1.00 0.00 O ATOM 842 CB TYR B 113 -5.719 10.999 -11.980 1.00 0.00 C ATOM 843 CG TYR B 113 -4.927 10.083 -11.075 1.00 0.00 C ATOM 844 CD1 TYR B 113 -4.687 10.422 -9.748 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.418 8.879 -11.544 1.00 0.00 C ATOM 846 CE1 TYR B 113 -3.963 9.589 -8.917 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.693 8.039 -10.721 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.469 8.399 -9.408 1.00 0.00 C ATOM 849 OH TYR B 113 -2.746 7.566 -8.585 1.00 0.00 O ATOM 0 H TYR B 113 -6.441 12.645 -10.293 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.130 12.441 -11.889 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.764 10.988 -11.669 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.685 10.609 -12.997 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.073 11.353 -9.360 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.592 8.594 -12.571 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -3.785 9.868 -7.889 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.304 7.107 -11.103 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.472 6.769 -9.085 1.00 0.00 H new ATOM 859 N ALA B 114 -6.835 13.565 -13.396 1.00 0.00 N ATOM 860 CA ALA B 114 -7.316 14.232 -14.599 1.00 0.00 C ATOM 861 C ALA B 114 -6.401 15.388 -14.989 1.00 0.00 C ATOM 862 O ALA B 114 -5.920 15.459 -16.120 1.00 0.00 O ATOM 863 CB ALA B 114 -8.739 14.729 -14.394 1.00 0.00 C ATOM 0 H ALA B 114 -7.531 13.475 -12.656 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.310 13.507 -15.413 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.085 15.225 -15.301 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.391 13.884 -14.171 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.762 15.434 -13.563 1.00 0.00 H new ATOM 869 N SER B 115 -6.165 16.294 -14.045 1.00 0.00 N ATOM 870 CA SER B 115 -5.311 17.450 -14.290 1.00 0.00 C ATOM 871 C SER B 115 -3.886 17.013 -14.616 1.00 0.00 C ATOM 872 O SER B 115 -3.340 17.368 -15.660 1.00 0.00 O ATOM 873 CB SER B 115 -5.309 18.377 -13.073 1.00 0.00 C ATOM 874 OG SER B 115 -5.183 17.638 -11.871 1.00 0.00 O ATOM 0 H SER B 115 -6.554 16.249 -13.103 1.00 0.00 H new ATOM 0 HA SER B 115 -5.711 17.991 -15.148 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.487 19.088 -13.155 1.00 0.00 H new ATOM 0 HB3 SER B 115 -6.231 18.957 -13.052 1.00 0.00 H new ATOM 0 HG SER B 115 -6.074 17.407 -11.534 1.00 0.00 H new ATOM 880 N ILE B 116 -3.290 16.242 -13.712 1.00 0.00 N ATOM 881 CA ILE B 116 -1.929 15.756 -13.903 1.00 0.00 C ATOM 882 C ILE B 116 -1.757 15.130 -15.282 1.00 0.00 C ATOM 883 O ILE B 116 -0.761 15.371 -15.965 1.00 0.00 O ATOM 884 CB ILE B 116 -1.547 14.718 -12.830 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.559 15.361 -11.441 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.180 14.123 -13.132 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.514 14.358 -10.311 1.00 0.00 C ATOM 0 H ILE B 116 -3.728 15.941 -12.841 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.270 16.620 -13.814 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.283 13.914 -12.844 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -0.706 16.033 -11.353 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.457 15.971 -11.339 1.00 0.00 H new ATOM 0 HG21 ILE B 116 0.076 13.392 -12.365 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.203 13.635 -14.106 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.568 14.916 -13.141 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.525 14.884 -9.357 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.381 13.701 -10.373 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.603 13.765 -10.387 1.00 0.00 H new ATOM 899 N LEU B 117 -2.734 14.328 -15.688 1.00 0.00 N ATOM 900 CA LEU B 117 -2.692 13.668 -16.989 1.00 0.00 C ATOM 901 C LEU B 117 -2.590 14.691 -18.116 1.00 0.00 C ATOM 902 O LEU B 117 -1.738 14.577 -18.996 1.00 0.00 O ATOM 903 CB LEU B 117 -3.938 12.802 -17.184 1.00 0.00 C ATOM 904 CG LEU B 117 -3.760 11.304 -16.929 1.00 0.00 C ATOM 905 CD1 LEU B 117 -3.352 11.052 -15.487 1.00 0.00 C ATOM 906 CD2 LEU B 117 -5.040 10.551 -17.262 1.00 0.00 C ATOM 0 H LEU B 117 -3.565 14.118 -15.136 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.807 13.033 -17.018 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.721 13.173 -16.522 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.294 12.937 -18.205 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.966 10.937 -17.579 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.230 9.981 -15.325 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.409 11.559 -15.282 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.123 11.435 -14.818 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.895 9.487 -17.075 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -5.853 10.922 -16.638 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.289 10.704 -18.312 1.00 0.00 H new ATOM 918 N ALA B 118 -3.463 15.693 -18.080 1.00 0.00 N ATOM 919 CA ALA B 118 -3.468 16.739 -19.094 1.00 0.00 C ATOM 920 C ALA B 118 -2.092 17.382 -19.226 1.00 0.00 C ATOM 921 O ALA B 118 -1.567 17.528 -20.330 1.00 0.00 O ATOM 922 CB ALA B 118 -4.516 17.791 -18.764 1.00 0.00 C ATOM 0 H ALA B 118 -4.176 15.802 -17.359 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.719 16.281 -20.051 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.508 18.566 -19.531 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.501 17.325 -18.729 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.291 18.237 -17.795 1.00 0.00 H new ATOM 928 N ALA B 119 -1.514 17.767 -18.093 1.00 0.00 N ATOM 929 CA ALA B 119 -0.198 18.395 -18.082 1.00 0.00 C ATOM 930 C ALA B 119 0.829 17.531 -18.807 1.00 0.00 C ATOM 931 O ALA B 119 1.624 18.031 -19.604 1.00 0.00 O ATOM 932 CB ALA B 119 0.249 18.659 -16.651 1.00 0.00 C ATOM 0 H ALA B 119 -1.936 17.655 -17.171 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.272 19.346 -18.610 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.233 19.128 -16.658 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.466 19.322 -16.163 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.300 17.716 -16.106 1.00 0.00 H new ATOM 938 N VAL B 120 0.807 16.232 -18.527 1.00 0.00 N ATOM 939 CA VAL B 120 1.735 15.298 -19.153 1.00 0.00 C ATOM 940 C VAL B 120 1.529 15.247 -20.664 1.00 0.00 C ATOM 941 O VAL B 120 2.449 15.516 -21.435 1.00 0.00 O ATOM 942 CB VAL B 120 1.577 13.879 -18.578 1.00 0.00 C ATOM 943 CG1 VAL B 120 2.714 12.982 -19.046 1.00 0.00 C ATOM 944 CG2 VAL B 120 1.516 13.925 -17.058 1.00 0.00 C ATOM 0 H VAL B 120 0.156 15.802 -17.870 1.00 0.00 H new ATOM 0 HA VAL B 120 2.740 15.660 -18.938 1.00 0.00 H new ATOM 0 HB VAL B 120 0.641 13.459 -18.945 1.00 0.00 H new ATOM 0 HG11 VAL B 120 2.585 11.983 -18.629 1.00 0.00 H new ATOM 0 HG12 VAL B 120 2.708 12.924 -20.134 1.00 0.00 H new ATOM 0 HG13 VAL B 120 3.665 13.395 -18.710 1.00 0.00 H new ATOM 0 HG21 VAL B 120 1.404 12.913 -16.668 1.00 0.00 H new ATOM 0 HG22 VAL B 120 2.435 14.364 -16.670 1.00 0.00 H new ATOM 0 HG23 VAL B 120 0.665 14.530 -16.746 1.00 0.00 H new ATOM 954 N VAL B 121 0.314 14.902 -21.078 1.00 0.00 N ATOM 955 CA VAL B 121 -0.015 14.819 -22.496 1.00 0.00 C ATOM 956 C VAL B 121 0.418 16.080 -23.236 1.00 0.00 C ATOM 957 O VAL B 121 1.089 16.009 -24.265 1.00 0.00 O ATOM 958 CB VAL B 121 -1.525 14.603 -22.711 1.00 0.00 C ATOM 959 CG1 VAL B 121 -1.850 14.545 -24.195 1.00 0.00 C ATOM 960 CG2 VAL B 121 -1.987 13.338 -22.005 1.00 0.00 C ATOM 0 H VAL B 121 -0.459 14.676 -20.452 1.00 0.00 H new ATOM 0 HA VAL B 121 0.527 13.962 -22.896 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.061 15.449 -22.280 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -2.921 14.392 -24.327 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.556 15.482 -24.669 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.306 13.720 -24.655 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.056 13.201 -22.167 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.446 12.480 -22.405 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.790 13.425 -20.936 1.00 0.00 H new ATOM 970 N VAL B 122 0.028 17.234 -22.704 1.00 0.00 N ATOM 971 CA VAL B 122 0.377 18.512 -23.313 1.00 0.00 C ATOM 972 C VAL B 122 1.889 18.704 -23.362 1.00 0.00 C ATOM 973 O VAL B 122 2.439 19.139 -24.372 1.00 0.00 O ATOM 974 CB VAL B 122 -0.254 19.690 -22.547 1.00 0.00 C ATOM 975 CG1 VAL B 122 0.072 21.008 -23.232 1.00 0.00 C ATOM 976 CG2 VAL B 122 -1.758 19.500 -22.426 1.00 0.00 C ATOM 0 H VAL B 122 -0.529 17.310 -21.853 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.017 18.496 -24.329 1.00 0.00 H new ATOM 0 HB VAL B 122 0.168 19.717 -21.542 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.382 21.829 -22.677 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.153 21.145 -23.262 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.321 20.997 -24.249 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.188 20.341 -21.882 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.199 19.447 -23.421 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -1.966 18.575 -21.888 1.00 0.00 H new ATOM 986 N GLY B 123 2.557 18.375 -22.260 1.00 0.00 N ATOM 987 CA GLY B 123 4.001 18.518 -22.198 1.00 0.00 C ATOM 988 C GLY B 123 4.707 17.754 -23.301 1.00 0.00 C ATOM 989 O GLY B 123 5.688 18.236 -23.869 1.00 0.00 O ATOM 0 H GLY B 123 2.125 18.012 -21.410 1.00 0.00 H new ATOM 0 HA2 GLY B 123 4.262 19.574 -22.267 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.357 18.165 -21.230 1.00 0.00 H new ATOM 993 N LEU B 124 4.209 16.560 -23.603 1.00 0.00 N ATOM 994 CA LEU B 124 4.800 15.728 -24.645 1.00 0.00 C ATOM 995 C LEU B 124 4.539 16.317 -26.027 1.00 0.00 C ATOM 996 O LEU B 124 5.471 16.637 -26.765 1.00 0.00 O ATOM 997 CB LEU B 124 4.239 14.307 -24.570 1.00 0.00 C ATOM 998 CG LEU B 124 5.240 13.207 -24.217 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.547 12.066 -23.488 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.937 12.697 -25.470 1.00 0.00 C ATOM 0 H LEU B 124 3.398 16.147 -23.142 1.00 0.00 H new ATOM 0 HA LEU B 124 5.877 15.696 -24.482 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.438 14.293 -23.830 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.788 14.065 -25.532 1.00 0.00 H new ATOM 0 HG LEU B 124 5.994 13.629 -23.553 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.276 11.293 -23.245 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.097 12.441 -22.569 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.771 11.645 -24.126 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.646 11.915 -25.199 1.00 0.00 H new ATOM 0 HD22 LEU B 124 5.196 12.293 -26.159 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.469 13.518 -25.950 1.00 0.00 H new ATOM 1012 N VAL B 125 3.263 16.460 -26.373 1.00 0.00 N ATOM 1013 CA VAL B 125 2.878 17.015 -27.665 1.00 0.00 C ATOM 1014 C VAL B 125 3.524 18.376 -27.893 1.00 0.00 C ATOM 1015 O VAL B 125 4.251 18.575 -28.866 1.00 0.00 O ATOM 1016 CB VAL B 125 1.349 17.159 -27.781 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.970 17.778 -29.118 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.671 15.809 -27.598 1.00 0.00 C ATOM 0 H VAL B 125 2.478 16.199 -25.776 1.00 0.00 H new ATOM 0 HA VAL B 125 3.229 16.318 -28.426 1.00 0.00 H new ATOM 0 HB VAL B 125 1.004 17.824 -26.989 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.114 17.872 -29.181 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.425 18.765 -29.204 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.327 17.142 -29.928 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.409 15.930 -27.683 1.00 0.00 H new ATOM 0 HG22 VAL B 125 1.021 15.119 -28.366 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.915 15.410 -26.614 1.00 0.00 H new ATOM 1028 N ALA B 126 3.255 19.313 -26.989 1.00 0.00 N ATOM 1029 CA ALA B 126 3.813 20.656 -27.090 1.00 0.00 C ATOM 1030 C ALA B 126 5.321 20.609 -27.301 1.00 0.00 C ATOM 1031 O ALA B 126 5.854 21.267 -28.196 1.00 0.00 O ATOM 1032 CB ALA B 126 3.476 21.462 -25.844 1.00 0.00 C ATOM 0 H ALA B 126 2.654 19.166 -26.178 1.00 0.00 H new ATOM 0 HA ALA B 126 3.367 21.144 -27.957 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.899 22.463 -25.933 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.393 21.533 -25.739 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.894 20.968 -24.967 1.00 0.00 H new ATOM 1038 N TYR B 127 6.007 19.829 -26.472 1.00 0.00 N ATOM 1039 CA TYR B 127 7.456 19.700 -26.566 1.00 0.00 C ATOM 1040 C TYR B 127 7.875 19.282 -27.972 1.00 0.00 C ATOM 1041 O TYR B 127 8.822 19.830 -28.538 1.00 0.00 O ATOM 1042 CB TYR B 127 7.965 18.681 -25.546 1.00 0.00 C ATOM 1043 CG TYR B 127 9.332 18.125 -25.875 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.471 16.985 -26.657 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.485 18.740 -25.403 1.00 0.00 C ATOM 1046 CE1 TYR B 127 10.717 16.474 -26.960 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.737 18.237 -25.702 1.00 0.00 C ATOM 1048 CZ TYR B 127 11.848 17.103 -26.481 1.00 0.00 C ATOM 1049 OH TYR B 127 13.092 16.598 -26.780 1.00 0.00 O ATOM 0 H TYR B 127 5.582 19.277 -25.727 1.00 0.00 H new ATOM 0 HA TYR B 127 7.897 20.673 -26.349 1.00 0.00 H new ATOM 0 HB2 TYR B 127 8.000 19.150 -24.563 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.253 17.858 -25.481 1.00 0.00 H new ATOM 0 HD1 TYR B 127 8.589 16.490 -27.034 1.00 0.00 H new ATOM 0 HD2 TYR B 127 10.401 19.627 -24.792 1.00 0.00 H new ATOM 0 HE1 TYR B 127 10.806 15.586 -27.569 1.00 0.00 H new ATOM 0 HE2 TYR B 127 12.623 18.728 -25.328 1.00 0.00 H new ATOM 0 HH TYR B 127 13.781 17.159 -26.367 1.00 0.00 H new ATOM 1059 N ILE B 128 7.163 18.308 -28.530 1.00 0.00 N ATOM 1060 CA ILE B 128 7.459 17.818 -29.870 1.00 0.00 C ATOM 1061 C ILE B 128 7.253 18.910 -30.913 1.00 0.00 C ATOM 1062 O ILE B 128 8.124 19.160 -31.746 1.00 0.00 O ATOM 1063 CB ILE B 128 6.582 16.605 -30.232 1.00 0.00 C ATOM 1064 CG1 ILE B 128 6.813 15.465 -29.238 1.00 0.00 C ATOM 1065 CG2 ILE B 128 6.873 16.144 -31.652 1.00 0.00 C ATOM 1066 CD1 ILE B 128 5.568 14.659 -28.942 1.00 0.00 C ATOM 0 H ILE B 128 6.378 17.843 -28.075 1.00 0.00 H new ATOM 0 HA ILE B 128 8.505 17.512 -29.870 1.00 0.00 H new ATOM 0 HB ILE B 128 5.535 16.904 -30.176 1.00 0.00 H new ATOM 0 HG12 ILE B 128 7.581 14.800 -29.633 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.198 15.879 -28.306 1.00 0.00 H new ATOM 0 HG21 ILE B 128 6.245 15.286 -31.892 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.661 16.955 -32.349 1.00 0.00 H new ATOM 0 HG23 ILE B 128 7.922 15.860 -31.735 1.00 0.00 H new ATOM 0 HD11 ILE B 128 5.807 13.869 -28.230 1.00 0.00 H new ATOM 0 HD12 ILE B 128 4.805 15.311 -28.518 1.00 0.00 H new ATOM 0 HD13 ILE B 128 5.194 14.215 -29.865 1.00 0.00 H new ATOM 1078 N ALA B 129 6.094 19.559 -30.862 1.00 0.00 N ATOM 1079 CA ALA B 129 5.774 20.628 -31.800 1.00 0.00 C ATOM 1080 C ALA B 129 6.794 21.759 -31.712 1.00 0.00 C ATOM 1081 O ALA B 129 7.182 22.338 -32.726 1.00 0.00 O ATOM 1082 CB ALA B 129 4.372 21.156 -31.539 1.00 0.00 C ATOM 0 H ALA B 129 5.361 19.363 -30.181 1.00 0.00 H new ATOM 0 HA ALA B 129 5.813 20.217 -32.809 1.00 0.00 H new ATOM 0 HB1 ALA B 129 4.146 21.954 -32.247 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.650 20.348 -31.661 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.313 21.545 -30.523 1.00 0.00 H new ATOM 1088 N PHE B 130 7.223 22.069 -30.493 1.00 0.00 N ATOM 1089 CA PHE B 130 8.196 23.132 -30.272 1.00 0.00 C ATOM 1090 C PHE B 130 9.578 22.716 -30.770 1.00 0.00 C ATOM 1091 O PHE B 130 10.400 23.559 -31.129 1.00 0.00 O ATOM 1092 CB PHE B 130 8.262 23.491 -28.787 1.00 0.00 C ATOM 1093 CG PHE B 130 9.221 24.607 -28.483 1.00 0.00 C ATOM 1094 CD1 PHE B 130 8.853 25.928 -28.683 1.00 0.00 C ATOM 1095 CD2 PHE B 130 10.490 24.334 -27.997 1.00 0.00 C ATOM 1096 CE1 PHE B 130 9.734 26.956 -28.404 1.00 0.00 C ATOM 1097 CE2 PHE B 130 11.374 25.359 -27.716 1.00 0.00 C ATOM 1098 CZ PHE B 130 10.995 26.671 -27.918 1.00 0.00 C ATOM 0 H PHE B 130 6.912 21.599 -29.643 1.00 0.00 H new ATOM 0 HA PHE B 130 7.875 24.008 -30.836 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.267 23.775 -28.445 1.00 0.00 H new ATOM 0 HB3 PHE B 130 8.554 22.607 -28.220 1.00 0.00 H new ATOM 0 HD1 PHE B 130 7.867 26.157 -29.061 1.00 0.00 H new ATOM 0 HD2 PHE B 130 10.791 23.309 -27.836 1.00 0.00 H new ATOM 0 HE1 PHE B 130 9.436 27.981 -28.566 1.00 0.00 H new ATOM 0 HE2 PHE B 130 12.361 25.134 -27.339 1.00 0.00 H new ATOM 0 HZ PHE B 130 11.683 27.473 -27.696 1.00 0.00 H new ATOM 1108 N LYS B 131 9.825 21.411 -30.787 1.00 0.00 N ATOM 1109 CA LYS B 131 11.106 20.880 -31.239 1.00 0.00 C ATOM 1110 C LYS B 131 11.146 20.780 -32.761 1.00 0.00 C ATOM 1111 O LYS B 131 12.216 20.833 -33.368 1.00 0.00 O ATOM 1112 CB LYS B 131 11.359 19.504 -30.619 1.00 0.00 C ATOM 1113 CG LYS B 131 12.327 18.647 -31.417 1.00 0.00 C ATOM 1114 CD LYS B 131 12.619 17.333 -30.712 1.00 0.00 C ATOM 1115 CE LYS B 131 12.995 16.241 -31.702 1.00 0.00 C ATOM 1116 NZ LYS B 131 14.319 16.497 -32.333 1.00 0.00 N1+ ATOM 0 H LYS B 131 9.155 20.701 -30.493 1.00 0.00 H new ATOM 0 HA LYS B 131 11.890 21.565 -30.917 1.00 0.00 H new ATOM 0 HB2 LYS B 131 11.750 19.636 -29.610 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.410 18.976 -30.527 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.909 18.447 -32.404 1.00 0.00 H new ATOM 0 HG3 LYS B 131 13.258 19.194 -31.570 1.00 0.00 H new ATOM 0 HD2 LYS B 131 13.431 17.474 -29.999 1.00 0.00 H new ATOM 0 HD3 LYS B 131 11.744 17.023 -30.141 1.00 0.00 H new ATOM 0 HE2 LYS B 131 13.016 15.279 -31.191 1.00 0.00 H new ATOM 0 HE3 LYS B 131 12.231 16.174 -32.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 14.539 15.731 -33.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.291 17.403 -32.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 15.053 16.536 -31.597 1.00 0.00 H new ATOM 1130 N ARG B 132 9.974 20.637 -33.371 1.00 0.00 N ATOM 1131 CA ARG B 132 9.876 20.528 -34.822 1.00 0.00 C ATOM 1132 C ARG B 132 9.909 21.908 -35.473 1.00 0.00 C ATOM 1133 O ARG B 132 10.617 22.124 -36.456 1.00 0.00 O ATOM 1134 CB ARG B 132 8.590 19.798 -35.215 1.00 0.00 C ATOM 1135 CG ARG B 132 8.537 18.357 -34.734 1.00 0.00 C ATOM 1136 CD ARG B 132 9.133 17.406 -35.759 1.00 0.00 C ATOM 1137 NE ARG B 132 9.004 16.009 -35.350 1.00 0.00 N ATOM 1138 CZ ARG B 132 7.873 15.320 -35.441 1.00 0.00 C ATOM 1139 NH1 ARG B 132 6.778 15.893 -35.922 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 7.834 14.052 -35.047 1.00 0.00 N ATOM 0 H ARG B 132 9.079 20.594 -32.883 1.00 0.00 H new ATOM 0 HA ARG B 132 10.733 19.956 -35.177 1.00 0.00 H new ATOM 0 HB2 ARG B 132 7.736 20.340 -34.808 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.490 19.814 -36.300 1.00 0.00 H new ATOM 0 HG2 ARG B 132 9.080 18.266 -33.793 1.00 0.00 H new ATOM 0 HG3 ARG B 132 7.503 18.077 -34.534 1.00 0.00 H new ATOM 0 HD2 ARG B 132 8.637 17.550 -36.719 1.00 0.00 H new ATOM 0 HD3 ARG B 132 10.186 17.645 -35.906 1.00 0.00 H new ATOM 0 HE ARG B 132 9.827 15.538 -34.974 1.00 0.00 H new ATOM 0 HH11 ARG B 132 6.803 16.867 -36.224 1.00 0.00 H new ATOM 0 HH12 ARG B 132 5.911 15.360 -35.990 1.00 0.00 H new ATOM 0 HH21 ARG B 132 8.673 13.608 -34.674 1.00 0.00 H new ATOM 0 HH22 ARG B 132 6.965 13.523 -35.117 1.00 0.00 H new