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 -29:sc= 0.64 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 -31:sc= 0.571 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 11.815 8.062 -6.633 1.00 0.00 N ATOM 137 CA ILE A 10 12.669 9.223 -6.850 1.00 0.00 C ATOM 138 C ILE A 10 12.519 9.759 -8.270 1.00 0.00 C ATOM 139 O ILE A 10 12.177 10.920 -8.489 1.00 0.00 O ATOM 140 CB ILE A 10 14.150 8.887 -6.595 1.00 0.00 C ATOM 141 CG1 ILE A 10 14.487 9.064 -5.112 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.048 9.764 -7.455 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.779 7.761 -4.400 1.00 0.00 C ATOM 0 HA ILE A 10 12.350 9.986 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 10 14.323 7.846 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.352 9.721 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.654 9.562 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.092 9.515 -7.263 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.822 9.595 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.875 10.812 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.010 7.962 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.907 7.110 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.631 7.272 -4.872 1.00 0.00 H new ATOM 155 N PRO A 11 12.777 8.891 -9.260 1.00 0.00 N ATOM 156 CA PRO A 11 12.674 9.253 -10.677 1.00 0.00 C ATOM 157 C PRO A 11 11.231 9.474 -11.116 1.00 0.00 C ATOM 158 O PRO A 11 10.953 10.315 -11.972 1.00 0.00 O ATOM 159 CB PRO A 11 13.273 8.042 -11.396 1.00 0.00 C ATOM 160 CG PRO A 11 13.076 6.906 -10.453 1.00 0.00 C ATOM 161 CD PRO A 11 13.189 7.490 -9.072 1.00 0.00 C ATOM 0 HA PRO A 11 13.183 10.191 -10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.772 7.859 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.329 8.195 -11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.102 6.440 -10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.827 6.132 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.543 6.973 -8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.206 7.418 -8.687 1.00 0.00 H new ATOM 169 N VAL A 12 10.315 8.716 -10.523 1.00 0.00 N ATOM 170 CA VAL A 12 8.898 8.830 -10.851 1.00 0.00 C ATOM 171 C VAL A 12 8.429 10.279 -10.764 1.00 0.00 C ATOM 172 O VAL A 12 7.979 10.857 -11.753 1.00 0.00 O ATOM 173 CB VAL A 12 8.033 7.965 -9.916 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.556 8.153 -10.229 1.00 0.00 C ATOM 175 CG2 VAL A 12 8.428 6.500 -10.030 1.00 0.00 C ATOM 0 H VAL A 12 10.528 8.016 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 12 8.781 8.473 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 12 8.206 8.286 -8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.960 7.534 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.286 9.200 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.363 7.860 -11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.807 5.903 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.285 6.163 -11.057 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.476 6.383 -9.752 1.00 0.00 H new ATOM 185 N TYR A 13 8.538 10.859 -9.574 1.00 0.00 N ATOM 186 CA TYR A 13 8.123 12.240 -9.356 1.00 0.00 C ATOM 187 C TYR A 13 8.908 13.192 -10.254 1.00 0.00 C ATOM 188 O TYR A 13 8.344 14.113 -10.843 1.00 0.00 O ATOM 189 CB TYR A 13 8.318 12.627 -7.889 1.00 0.00 C ATOM 190 CG TYR A 13 7.206 12.146 -6.984 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.881 10.797 -6.906 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.481 13.041 -6.206 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.866 10.355 -6.081 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.466 12.606 -5.376 1.00 0.00 C ATOM 195 CZ TYR A 13 5.161 11.262 -5.318 1.00 0.00 C ATOM 196 OH TYR A 13 4.151 10.824 -4.493 1.00 0.00 O ATOM 0 H TYR A 13 8.910 10.395 -8.746 1.00 0.00 H new ATOM 0 HA TYR A 13 7.066 12.320 -9.608 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.265 12.218 -7.537 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.392 13.712 -7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.431 10.083 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.715 14.094 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.625 9.303 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.914 13.314 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 13 3.756 11.589 -4.025 1.00 0.00 H new ATOM 206 N ALA A 14 10.214 12.962 -10.351 1.00 0.00 N ATOM 207 CA ALA A 14 11.076 13.797 -11.178 1.00 0.00 C ATOM 208 C ALA A 14 10.526 13.920 -12.595 1.00 0.00 C ATOM 209 O ALA A 14 10.335 15.024 -13.104 1.00 0.00 O ATOM 210 CB ALA A 14 12.488 13.232 -11.205 1.00 0.00 C ATOM 0 H ALA A 14 10.697 12.205 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 14 11.104 14.795 -10.740 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.121 13.865 -11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.887 13.202 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.468 12.223 -11.617 1.00 0.00 H new ATOM 216 N SER A 15 10.275 12.779 -13.229 1.00 0.00 N ATOM 217 CA SER A 15 9.753 12.758 -14.589 1.00 0.00 C ATOM 218 C SER A 15 8.386 13.434 -14.656 1.00 0.00 C ATOM 219 O SER A 15 8.168 14.340 -15.462 1.00 0.00 O ATOM 220 CB SER A 15 9.648 11.319 -15.097 1.00 0.00 C ATOM 221 OG SER A 15 8.853 10.529 -14.231 1.00 0.00 O ATOM 0 H SER A 15 10.425 11.856 -12.821 1.00 0.00 H new ATOM 0 HA SER A 15 10.445 13.310 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.216 11.314 -16.098 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.645 10.885 -15.178 1.00 0.00 H new ATOM 0 HG SER A 15 8.924 10.874 -13.316 1.00 0.00 H new ATOM 227 N ILE A 16 7.470 12.987 -13.805 1.00 0.00 N ATOM 228 CA ILE A 16 6.126 13.548 -13.765 1.00 0.00 C ATOM 229 C ILE A 16 6.167 15.069 -13.659 1.00 0.00 C ATOM 230 O ILE A 16 5.417 15.771 -14.339 1.00 0.00 O ATOM 231 CB ILE A 16 5.314 12.984 -12.584 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.123 11.474 -12.742 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.968 13.686 -12.483 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.630 10.793 -11.486 1.00 0.00 C ATOM 0 H ILE A 16 7.634 12.237 -13.133 1.00 0.00 H new ATOM 0 HA ILE A 16 5.639 13.264 -14.698 1.00 0.00 H new ATOM 0 HB ILE A 16 5.867 13.167 -11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.414 11.288 -13.549 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.070 11.025 -13.041 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.406 13.276 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.125 14.753 -12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.407 13.532 -13.405 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.517 9.725 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.349 10.948 -10.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.667 11.215 -11.198 1.00 0.00 H new ATOM 246 N LEU A 17 7.050 15.572 -12.802 1.00 0.00 N ATOM 247 CA LEU A 17 7.192 17.011 -12.608 1.00 0.00 C ATOM 248 C LEU A 17 7.622 17.696 -13.902 1.00 0.00 C ATOM 249 O LEU A 17 7.119 18.764 -14.247 1.00 0.00 O ATOM 250 CB LEU A 17 8.210 17.298 -11.503 1.00 0.00 C ATOM 251 CG LEU A 17 7.633 17.566 -10.112 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.692 18.760 -10.146 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.915 16.333 -9.586 1.00 0.00 C ATOM 0 H LEU A 17 7.677 15.005 -12.231 1.00 0.00 H new ATOM 0 HA LEU A 17 6.222 17.410 -12.313 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.891 16.450 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.805 18.161 -11.800 1.00 0.00 H new ATOM 0 HG LEU A 17 8.456 17.798 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.291 18.936 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.237 19.643 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.873 18.558 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.511 16.542 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.101 16.070 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.618 15.502 -9.523 1.00 0.00 H new ATOM 265 N ALA A 18 8.554 17.071 -14.613 1.00 0.00 N ATOM 266 CA ALA A 18 9.049 17.618 -15.871 1.00 0.00 C ATOM 267 C ALA A 18 7.918 17.781 -16.881 1.00 0.00 C ATOM 268 O ALA A 18 7.691 18.874 -17.401 1.00 0.00 O ATOM 269 CB ALA A 18 10.143 16.727 -16.441 1.00 0.00 C ATOM 0 H ALA A 18 8.982 16.186 -14.340 1.00 0.00 H new ATOM 0 HA ALA A 18 9.467 18.604 -15.670 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.503 17.148 -17.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.968 16.665 -15.731 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.743 15.729 -16.620 1.00 0.00 H new ATOM 275 N ALA A 19 7.213 16.689 -17.155 1.00 0.00 N ATOM 276 CA ALA A 19 6.105 16.711 -18.102 1.00 0.00 C ATOM 277 C ALA A 19 5.122 17.829 -17.769 1.00 0.00 C ATOM 278 O ALA A 19 4.650 18.538 -18.657 1.00 0.00 O ATOM 279 CB ALA A 19 5.395 15.366 -18.115 1.00 0.00 C ATOM 0 H ALA A 19 7.390 15.777 -16.734 1.00 0.00 H new ATOM 0 HA ALA A 19 6.511 16.903 -19.095 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.570 15.397 -18.827 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.098 14.586 -18.408 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.008 15.149 -17.119 1.00 0.00 H new ATOM 285 N VAL A 20 4.817 17.979 -16.484 1.00 0.00 N ATOM 286 CA VAL A 20 3.889 19.010 -16.034 1.00 0.00 C ATOM 287 C VAL A 20 4.449 20.405 -16.296 1.00 0.00 C ATOM 288 O VAL A 20 3.821 21.221 -16.969 1.00 0.00 O ATOM 289 CB VAL A 20 3.577 18.868 -14.533 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.554 19.907 -14.100 1.00 0.00 C ATOM 291 CG2 VAL A 20 3.085 17.462 -14.223 1.00 0.00 C ATOM 0 H VAL A 20 5.199 17.400 -15.736 1.00 0.00 H new ATOM 0 HA VAL A 20 2.969 18.878 -16.603 1.00 0.00 H new ATOM 0 HB VAL A 20 4.495 19.040 -13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.346 19.791 -13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.949 20.906 -14.286 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.633 19.769 -14.667 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.869 17.379 -13.158 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.179 17.259 -14.794 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.854 16.739 -14.495 1.00 0.00 H new ATOM 301 N VAL A 21 5.635 20.670 -15.758 1.00 0.00 N ATOM 302 CA VAL A 21 6.281 21.966 -15.934 1.00 0.00 C ATOM 303 C VAL A 21 6.365 22.342 -17.409 1.00 0.00 C ATOM 304 O VAL A 21 6.050 23.469 -17.792 1.00 0.00 O ATOM 305 CB VAL A 21 7.700 21.972 -15.333 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.368 23.319 -15.556 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.651 21.629 -13.851 1.00 0.00 C ATOM 0 H VAL A 21 6.168 20.005 -15.197 1.00 0.00 H new ATOM 0 HA VAL A 21 5.668 22.699 -15.409 1.00 0.00 H new ATOM 0 HB VAL A 21 8.295 21.211 -15.839 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.369 23.305 -15.125 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.436 23.519 -16.625 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.778 24.101 -15.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.661 21.638 -13.442 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.041 22.365 -13.327 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.215 20.638 -13.721 1.00 0.00 H new ATOM 317 N VAL A 22 6.791 21.391 -18.234 1.00 0.00 N ATOM 318 CA VAL A 22 6.914 21.621 -19.668 1.00 0.00 C ATOM 319 C VAL A 22 5.556 21.907 -20.298 1.00 0.00 C ATOM 320 O VAL A 22 5.419 22.813 -21.119 1.00 0.00 O ATOM 321 CB VAL A 22 7.552 20.412 -20.378 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.726 20.695 -21.862 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.885 20.060 -19.735 1.00 0.00 C ATOM 0 H VAL A 22 7.057 20.453 -17.933 1.00 0.00 H new ATOM 0 HA VAL A 22 7.560 22.490 -19.794 1.00 0.00 H new ATOM 0 HB VAL A 22 6.885 19.556 -20.271 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.178 19.830 -22.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.753 20.895 -22.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.372 21.563 -21.994 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.322 19.204 -20.249 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.561 20.912 -19.810 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.728 19.812 -18.685 1.00 0.00 H new ATOM 333 N GLY A 23 4.552 21.129 -19.906 1.00 0.00 N ATOM 334 CA GLY A 23 3.216 21.316 -20.441 1.00 0.00 C ATOM 335 C GLY A 23 2.693 22.721 -20.220 1.00 0.00 C ATOM 336 O GLY A 23 2.042 23.294 -21.095 1.00 0.00 O ATOM 0 H GLY A 23 4.640 20.373 -19.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.222 21.098 -21.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.538 20.602 -19.974 1.00 0.00 H new ATOM 340 N LEU A 24 2.975 23.277 -19.047 1.00 0.00 N ATOM 341 CA LEU A 24 2.527 24.624 -18.712 1.00 0.00 C ATOM 342 C LEU A 24 3.294 25.669 -19.517 1.00 0.00 C ATOM 343 O LEU A 24 2.700 26.470 -20.239 1.00 0.00 O ATOM 344 CB LEU A 24 2.705 24.885 -17.215 1.00 0.00 C ATOM 345 CG LEU A 24 1.420 25.077 -16.409 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.594 24.549 -14.994 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.020 26.545 -16.387 1.00 0.00 C ATOM 0 H LEU A 24 3.512 22.816 -18.312 1.00 0.00 H new ATOM 0 HA LEU A 24 1.470 24.702 -18.965 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.259 24.051 -16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.323 25.775 -17.093 1.00 0.00 H new ATOM 0 HG LEU A 24 0.623 24.510 -16.891 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.669 24.694 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.834 23.486 -15.029 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.404 25.088 -14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.103 26.664 -15.809 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.816 27.132 -15.929 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.854 26.892 -17.407 1.00 0.00 H new ATOM 359 N VAL A 25 4.616 25.654 -19.389 1.00 0.00 N ATOM 360 CA VAL A 25 5.465 26.598 -20.106 1.00 0.00 C ATOM 361 C VAL A 25 5.212 26.532 -21.608 1.00 0.00 C ATOM 362 O VAL A 25 4.872 27.535 -22.235 1.00 0.00 O ATOM 363 CB VAL A 25 6.958 26.328 -19.836 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.826 27.306 -20.612 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.252 26.408 -18.345 1.00 0.00 C ATOM 0 H VAL A 25 5.123 24.998 -18.795 1.00 0.00 H new ATOM 0 HA VAL A 25 5.212 27.593 -19.740 1.00 0.00 H new ATOM 0 HB VAL A 25 7.195 25.320 -20.176 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.877 27.100 -20.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.634 27.195 -21.679 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.590 28.325 -20.305 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.311 26.215 -18.172 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.000 27.403 -17.977 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.656 25.664 -17.816 1.00 0.00 H new ATOM 375 N ALA A 26 5.380 25.345 -22.180 1.00 0.00 N ATOM 376 CA ALA A 26 5.166 25.147 -23.608 1.00 0.00 C ATOM 377 C ALA A 26 3.815 25.703 -24.044 1.00 0.00 C ATOM 378 O ALA A 26 3.738 26.528 -24.955 1.00 0.00 O ATOM 379 CB ALA A 26 5.269 23.670 -23.958 1.00 0.00 C ATOM 0 H ALA A 26 5.664 24.505 -21.676 1.00 0.00 H new ATOM 0 HA ALA A 26 5.943 25.691 -24.145 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.107 23.537 -25.028 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.260 23.301 -23.693 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.514 23.111 -23.405 1.00 0.00 H new ATOM 385 N TYR A 27 2.754 25.248 -23.389 1.00 0.00 N ATOM 386 CA TYR A 27 1.405 25.699 -23.710 1.00 0.00 C ATOM 387 C TYR A 27 1.338 27.222 -23.760 1.00 0.00 C ATOM 388 O TYR A 27 1.101 27.810 -24.817 1.00 0.00 O ATOM 389 CB TYR A 27 0.408 25.166 -22.681 1.00 0.00 C ATOM 390 CG TYR A 27 -1.036 25.435 -23.041 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.563 24.998 -24.251 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.873 26.125 -22.174 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.881 25.241 -24.585 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.192 26.371 -22.499 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.692 25.928 -23.705 1.00 0.00 C ATOM 396 OH TYR A 27 -5.006 26.173 -24.033 1.00 0.00 O ATOM 0 H TYR A 27 2.801 24.566 -22.632 1.00 0.00 H new ATOM 0 HA TYR A 27 1.143 25.310 -24.694 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.552 24.091 -22.571 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.622 25.617 -21.712 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.931 24.459 -24.942 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.485 26.475 -21.229 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.275 24.895 -25.529 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.829 26.908 -21.812 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.438 26.666 -23.305 1.00 0.00 H new ATOM 406 N ILE A 28 1.546 27.855 -22.611 1.00 0.00 N ATOM 407 CA ILE A 28 1.510 29.310 -22.523 1.00 0.00 C ATOM 408 C ILE A 28 2.384 29.947 -23.597 1.00 0.00 C ATOM 409 O ILE A 28 1.923 30.783 -24.372 1.00 0.00 O ATOM 410 CB ILE A 28 1.975 29.801 -21.139 1.00 0.00 C ATOM 411 CG1 ILE A 28 1.069 29.239 -20.043 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.988 31.322 -21.095 1.00 0.00 C ATOM 413 CD1 ILE A 28 1.817 28.822 -18.796 1.00 0.00 C ATOM 0 H ILE A 28 1.741 27.384 -21.728 1.00 0.00 H new ATOM 0 HA ILE A 28 0.474 29.611 -22.677 1.00 0.00 H new ATOM 0 HB ILE A 28 2.989 29.442 -20.964 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.325 29.990 -19.777 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.527 28.379 -20.436 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.319 31.655 -20.111 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.671 31.702 -21.855 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.984 31.700 -21.287 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.112 28.433 -18.062 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.542 28.048 -19.048 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.337 29.684 -18.378 1.00 0.00 H new ATOM 425 N ALA A 29 3.650 29.543 -23.638 1.00 0.00 N ATOM 426 CA ALA A 29 4.589 30.073 -24.620 1.00 0.00 C ATOM 427 C ALA A 29 4.050 29.912 -26.037 1.00 0.00 C ATOM 428 O ALA A 29 4.392 30.683 -26.934 1.00 0.00 O ATOM 429 CB ALA A 29 5.938 29.382 -24.485 1.00 0.00 C ATOM 0 H ALA A 29 4.049 28.851 -23.003 1.00 0.00 H new ATOM 0 HA ALA A 29 4.717 31.138 -24.427 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.630 29.787 -25.224 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.335 29.552 -23.484 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.817 28.311 -24.650 1.00 0.00 H new ATOM 435 N PHE A 30 3.206 28.904 -26.234 1.00 0.00 N ATOM 436 CA PHE A 30 2.621 28.641 -27.543 1.00 0.00 C ATOM 437 C PHE A 30 1.373 29.493 -27.762 1.00 0.00 C ATOM 438 O PHE A 30 1.021 29.820 -28.896 1.00 0.00 O ATOM 439 CB PHE A 30 2.270 27.159 -27.680 1.00 0.00 C ATOM 440 CG PHE A 30 2.273 26.670 -29.100 1.00 0.00 C ATOM 441 CD1 PHE A 30 1.133 26.765 -29.882 1.00 0.00 C ATOM 442 CD2 PHE A 30 3.416 26.117 -29.654 1.00 0.00 C ATOM 443 CE1 PHE A 30 1.133 26.316 -31.189 1.00 0.00 C ATOM 444 CE2 PHE A 30 3.423 25.666 -30.961 1.00 0.00 C ATOM 445 CZ PHE A 30 2.280 25.767 -31.730 1.00 0.00 C ATOM 0 H PHE A 30 2.912 28.256 -25.503 1.00 0.00 H new ATOM 0 HA PHE A 30 3.358 28.904 -28.302 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.981 26.571 -27.100 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.285 26.986 -27.247 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.234 27.195 -29.465 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.313 26.037 -29.058 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.237 26.394 -31.787 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.321 25.236 -31.380 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.283 25.418 -32.752 1.00 0.00 H new ATOM 455 N LYS A 31 0.708 29.849 -26.669 1.00 0.00 N ATOM 456 CA LYS A 31 -0.500 30.662 -26.739 1.00 0.00 C ATOM 457 C LYS A 31 -0.152 32.141 -26.883 1.00 0.00 C ATOM 458 O LYS A 31 -0.622 32.811 -27.802 1.00 0.00 O ATOM 459 CB LYS A 31 -1.357 30.450 -25.489 1.00 0.00 C ATOM 460 CG LYS A 31 -2.300 31.603 -25.193 1.00 0.00 C ATOM 461 CD LYS A 31 -3.196 31.299 -24.004 1.00 0.00 C ATOM 462 CE LYS A 31 -3.606 32.570 -23.276 1.00 0.00 C ATOM 463 NZ LYS A 31 -2.520 33.078 -22.393 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.985 29.587 -25.723 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.066 30.351 -27.617 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.940 29.537 -25.610 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.702 30.299 -24.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.722 32.505 -24.993 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.914 31.806 -26.070 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.086 30.770 -24.344 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.674 30.635 -23.314 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.870 33.337 -24.004 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.498 32.376 -22.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.838 33.945 -21.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.285 32.357 -21.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.677 33.288 -22.965 1.00 0.00 H new ATOM 477 N ARG A 32 0.674 32.641 -25.971 1.00 0.00 N ATOM 478 CA ARG A 32 1.085 34.040 -25.998 1.00 0.00 C ATOM 479 C ARG A 32 1.645 34.416 -27.366 1.00 0.00 C ATOM 480 O ARG A 32 1.229 35.405 -27.968 1.00 0.00 O ATOM 481 CB ARG A 32 2.132 34.307 -24.914 1.00 0.00 C ATOM 482 CG ARG A 32 1.768 35.454 -23.985 1.00 0.00 C ATOM 483 CD ARG A 32 2.927 35.818 -23.070 1.00 0.00 C ATOM 484 NE ARG A 32 2.505 36.680 -21.969 1.00 0.00 N ATOM 485 CZ ARG A 32 2.211 37.967 -22.115 1.00 0.00 C ATOM 486 NH1 ARG A 32 2.292 38.538 -23.310 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 1.834 38.686 -21.066 1.00 0.00 N ATOM 0 H ARG A 32 1.072 32.099 -25.204 1.00 0.00 H new ATOM 0 HA ARG A 32 0.206 34.655 -25.804 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.270 33.402 -24.323 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.088 34.525 -25.390 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.481 36.325 -24.575 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.902 35.177 -23.384 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.371 34.907 -22.668 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.701 36.322 -23.649 1.00 0.00 H new ATOM 0 HE ARG A 32 2.432 36.271 -21.037 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.581 37.988 -24.119 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.066 39.527 -23.419 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.770 38.251 -20.146 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.609 39.674 -21.180 1.00 0.00 H new ATOM 789 N ILE B 110 -10.466 11.448 -8.977 1.00 0.00 N ATOM 790 CA ILE B 110 -10.982 11.623 -10.329 1.00 0.00 C ATOM 791 C ILE B 110 -10.321 12.811 -11.020 1.00 0.00 C ATOM 792 O ILE B 110 -9.716 12.685 -12.085 1.00 0.00 O ATOM 793 CB ILE B 110 -12.508 11.829 -10.327 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.227 10.477 -10.320 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.933 12.654 -11.532 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.840 10.126 -8.983 1.00 0.00 C ATOM 0 HA ILE B 110 -10.748 10.710 -10.877 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.785 12.372 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -14.010 10.487 -11.078 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -12.520 9.697 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -14.014 12.791 -11.516 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.444 13.627 -11.497 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.646 12.136 -12.447 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.332 9.156 -9.052 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.058 10.083 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -14.572 10.885 -8.708 1.00 0.00 H new ATOM 808 N PRO B 111 -10.436 13.995 -10.399 1.00 0.00 N ATOM 809 CA PRO B 111 -9.855 15.229 -10.935 1.00 0.00 C ATOM 810 C PRO B 111 -8.331 15.230 -10.866 1.00 0.00 C ATOM 811 O PRO B 111 -7.660 15.782 -11.736 1.00 0.00 O ATOM 812 CB PRO B 111 -10.432 16.318 -10.027 1.00 0.00 C ATOM 813 CG PRO B 111 -10.742 15.619 -8.748 1.00 0.00 C ATOM 814 CD PRO B 111 -11.143 14.219 -9.127 1.00 0.00 C ATOM 0 HA PRO B 111 -10.092 15.366 -11.990 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.716 17.126 -9.873 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.327 16.763 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.875 15.611 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.546 16.124 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.844 13.496 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.223 14.128 -9.246 1.00 0.00 H new ATOM 822 N VAL B 112 -7.792 14.607 -9.823 1.00 0.00 N ATOM 823 CA VAL B 112 -6.346 14.535 -9.640 1.00 0.00 C ATOM 824 C VAL B 112 -5.662 13.983 -10.886 1.00 0.00 C ATOM 825 O VAL B 112 -4.854 14.667 -11.516 1.00 0.00 O ATOM 826 CB VAL B 112 -5.977 13.652 -8.432 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.467 13.554 -8.286 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.610 14.197 -7.161 1.00 0.00 C ATOM 0 H VAL B 112 -8.334 14.145 -9.092 1.00 0.00 H new ATOM 0 HA VAL B 112 -5.998 15.552 -9.458 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.368 12.649 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.224 12.927 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.042 13.115 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.050 14.550 -8.137 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.339 13.561 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.251 15.210 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.694 14.210 -7.271 1.00 0.00 H new ATOM 838 N TYR B 113 -5.990 12.745 -11.236 1.00 0.00 N ATOM 839 CA TYR B 113 -5.406 12.101 -12.406 1.00 0.00 C ATOM 840 C TYR B 113 -5.737 12.877 -13.678 1.00 0.00 C ATOM 841 O TYR B 113 -4.888 13.050 -14.552 1.00 0.00 O ATOM 842 CB TYR B 113 -5.909 10.662 -12.528 1.00 0.00 C ATOM 843 CG TYR B 113 -5.182 9.688 -11.628 1.00 0.00 C ATOM 844 CD1 TYR B 113 -5.131 9.887 -10.254 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.548 8.569 -12.151 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.467 9.001 -9.427 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.884 7.675 -11.333 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.846 7.897 -9.971 1.00 0.00 C ATOM 849 OH TYR B 113 -3.185 7.011 -9.152 1.00 0.00 O ATOM 0 H TYR B 113 -6.658 12.167 -10.726 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.323 12.090 -12.280 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.973 10.637 -12.292 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.804 10.336 -13.563 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.619 10.749 -9.825 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.574 8.394 -13.216 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -4.435 9.172 -8.361 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.398 6.808 -11.756 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.804 6.288 -9.693 1.00 0.00 H new ATOM 859 N ALA B 114 -6.979 13.342 -13.772 1.00 0.00 N ATOM 860 CA ALA B 114 -7.423 14.102 -14.934 1.00 0.00 C ATOM 861 C ALA B 114 -6.471 15.254 -15.233 1.00 0.00 C ATOM 862 O ALA B 114 -5.962 15.378 -16.347 1.00 0.00 O ATOM 863 CB ALA B 114 -8.836 14.625 -14.713 1.00 0.00 C ATOM 0 H ALA B 114 -7.695 13.206 -13.058 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.425 13.434 -15.796 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.156 15.191 -15.588 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.514 13.786 -14.556 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.851 15.273 -13.837 1.00 0.00 H new ATOM 869 N SER B 115 -6.235 16.097 -14.232 1.00 0.00 N ATOM 870 CA SER B 115 -5.348 17.243 -14.390 1.00 0.00 C ATOM 871 C SER B 115 -3.934 16.790 -14.746 1.00 0.00 C ATOM 872 O SER B 115 -3.364 17.229 -15.746 1.00 0.00 O ATOM 873 CB SER B 115 -5.320 18.075 -13.108 1.00 0.00 C ATOM 874 OG SER B 115 -4.946 17.283 -11.994 1.00 0.00 O ATOM 0 H SER B 115 -6.646 16.007 -13.303 1.00 0.00 H new ATOM 0 HA SER B 115 -5.731 17.857 -15.205 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.619 18.901 -13.222 1.00 0.00 H new ATOM 0 HB3 SER B 115 -6.303 18.513 -12.933 1.00 0.00 H new ATOM 0 HG SER B 115 -5.259 16.364 -12.126 1.00 0.00 H new ATOM 880 N ILE B 116 -3.376 15.911 -13.922 1.00 0.00 N ATOM 881 CA ILE B 116 -2.032 15.397 -14.150 1.00 0.00 C ATOM 882 C ILE B 116 -1.872 14.886 -15.578 1.00 0.00 C ATOM 883 O ILE B 116 -0.859 15.141 -16.230 1.00 0.00 O ATOM 884 CB ILE B 116 -1.689 14.260 -13.168 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.694 14.780 -11.729 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.338 13.652 -13.513 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.690 13.682 -10.690 1.00 0.00 C ATOM 0 H ILE B 116 -3.834 15.540 -13.090 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.346 16.228 -13.986 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.448 13.483 -13.256 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -0.821 15.415 -11.578 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.574 15.406 -11.581 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.110 12.850 -12.811 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.368 13.250 -14.526 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.433 14.420 -13.450 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.694 14.124 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.576 13.060 -10.815 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.797 13.069 -10.812 1.00 0.00 H new ATOM 899 N LEU B 117 -2.880 14.165 -16.058 1.00 0.00 N ATOM 900 CA LEU B 117 -2.853 13.619 -17.411 1.00 0.00 C ATOM 901 C LEU B 117 -2.767 14.735 -18.446 1.00 0.00 C ATOM 902 O LEU B 117 -2.028 14.632 -19.424 1.00 0.00 O ATOM 903 CB LEU B 117 -4.099 12.768 -17.662 1.00 0.00 C ATOM 904 CG LEU B 117 -3.929 11.259 -17.485 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.853 10.731 -18.422 1.00 0.00 C ATOM 906 CD2 LEU B 117 -3.590 10.926 -16.040 1.00 0.00 C ATOM 0 H LEU B 117 -3.725 13.945 -15.531 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.967 12.992 -17.507 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.887 13.106 -16.989 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.445 12.958 -18.678 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.872 10.774 -17.736 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.745 9.655 -18.283 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.137 10.937 -19.454 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.905 11.222 -18.201 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -3.473 9.848 -15.933 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.660 11.422 -15.761 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.394 11.270 -15.389 1.00 0.00 H new ATOM 918 N ALA B 118 -3.527 15.803 -18.223 1.00 0.00 N ATOM 919 CA ALA B 118 -3.533 16.940 -19.135 1.00 0.00 C ATOM 920 C ALA B 118 -2.143 17.555 -19.254 1.00 0.00 C ATOM 921 O ALA B 118 -1.625 17.734 -20.356 1.00 0.00 O ATOM 922 CB ALA B 118 -4.537 17.984 -18.670 1.00 0.00 C ATOM 0 H ALA B 118 -4.146 15.904 -17.419 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.829 16.582 -20.121 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.531 18.828 -19.360 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.534 17.544 -18.644 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.267 18.330 -17.672 1.00 0.00 H new ATOM 928 N ALA B 119 -1.545 17.880 -18.112 1.00 0.00 N ATOM 929 CA ALA B 119 -0.215 18.476 -18.089 1.00 0.00 C ATOM 930 C ALA B 119 0.796 17.588 -18.808 1.00 0.00 C ATOM 931 O ALA B 119 1.718 18.081 -19.458 1.00 0.00 O ATOM 932 CB ALA B 119 0.226 18.726 -16.655 1.00 0.00 C ATOM 0 H ALA B 119 -1.961 17.740 -17.191 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.261 19.430 -18.615 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.221 19.171 -16.653 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.476 19.405 -16.171 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.250 17.781 -16.112 1.00 0.00 H new ATOM 938 N VAL B 120 0.617 16.277 -18.687 1.00 0.00 N ATOM 939 CA VAL B 120 1.513 15.321 -19.325 1.00 0.00 C ATOM 940 C VAL B 120 1.261 15.248 -20.827 1.00 0.00 C ATOM 941 O VAL B 120 2.197 15.263 -21.626 1.00 0.00 O ATOM 942 CB VAL B 120 1.355 13.912 -18.721 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.338 12.860 -19.819 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.465 13.634 -17.720 1.00 0.00 C ATOM 0 H VAL B 120 -0.141 15.853 -18.153 1.00 0.00 H new ATOM 0 HA VAL B 120 2.529 15.673 -19.146 1.00 0.00 H new ATOM 0 HB VAL B 120 0.403 13.866 -18.193 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.226 11.871 -19.374 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.503 13.051 -20.493 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.273 12.902 -20.378 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.338 12.635 -17.304 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.431 13.698 -18.221 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.423 14.370 -16.917 1.00 0.00 H new ATOM 954 N VAL B 121 -0.012 15.171 -21.205 1.00 0.00 N ATOM 955 CA VAL B 121 -0.389 15.099 -22.611 1.00 0.00 C ATOM 956 C VAL B 121 0.053 16.350 -23.363 1.00 0.00 C ATOM 957 O VAL B 121 0.552 16.269 -24.486 1.00 0.00 O ATOM 958 CB VAL B 121 -1.910 14.924 -22.776 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.293 14.945 -24.248 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.372 13.635 -22.114 1.00 0.00 C ATOM 0 H VAL B 121 -0.799 15.157 -20.556 1.00 0.00 H new ATOM 0 HA VAL B 121 0.116 14.229 -23.030 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.410 15.758 -22.284 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.371 14.820 -24.345 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.997 15.898 -24.687 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.785 14.132 -24.768 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.449 13.527 -22.240 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.866 12.787 -22.576 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -2.132 13.666 -21.051 1.00 0.00 H new ATOM 970 N VAL B 122 -0.133 17.508 -22.737 1.00 0.00 N ATOM 971 CA VAL B 122 0.247 18.777 -23.346 1.00 0.00 C ATOM 972 C VAL B 122 1.763 18.911 -23.432 1.00 0.00 C ATOM 973 O VAL B 122 2.301 19.350 -24.449 1.00 0.00 O ATOM 974 CB VAL B 122 -0.319 19.971 -22.555 1.00 0.00 C ATOM 975 CG1 VAL B 122 0.006 21.280 -23.258 1.00 0.00 C ATOM 976 CG2 VAL B 122 -1.821 19.817 -22.363 1.00 0.00 C ATOM 0 H VAL B 122 -0.545 17.593 -21.808 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.174 18.785 -24.351 1.00 0.00 H new ATOM 0 HB VAL B 122 0.151 19.989 -21.571 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.402 22.112 -22.684 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.087 21.391 -23.339 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.434 21.276 -24.255 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.205 20.669 -21.802 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.310 19.773 -23.336 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.025 18.899 -21.813 1.00 0.00 H new ATOM 986 N GLY B 123 2.448 18.531 -22.358 1.00 0.00 N ATOM 987 CA GLY B 123 3.897 18.617 -22.334 1.00 0.00 C ATOM 988 C GLY B 123 4.544 17.810 -23.441 1.00 0.00 C ATOM 989 O GLY B 123 5.545 18.231 -24.024 1.00 0.00 O ATOM 0 H GLY B 123 2.026 18.165 -21.504 1.00 0.00 H new ATOM 0 HA2 GLY B 123 4.197 19.661 -22.426 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.263 18.264 -21.370 1.00 0.00 H new ATOM 993 N LEU B 124 3.976 16.646 -23.733 1.00 0.00 N ATOM 994 CA LEU B 124 4.504 15.776 -24.777 1.00 0.00 C ATOM 995 C LEU B 124 4.245 16.365 -26.160 1.00 0.00 C ATOM 996 O LEU B 124 5.175 16.596 -26.933 1.00 0.00 O ATOM 997 CB LEU B 124 3.876 14.384 -24.677 1.00 0.00 C ATOM 998 CG LEU B 124 4.824 13.245 -24.304 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.090 12.181 -23.504 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.450 12.639 -25.552 1.00 0.00 C ATOM 0 H LEU B 124 3.148 16.282 -23.261 1.00 0.00 H new ATOM 0 HA LEU B 124 5.581 15.692 -24.634 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.076 14.421 -23.938 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.414 14.146 -25.635 1.00 0.00 H new ATOM 0 HG LEU B 124 5.622 13.652 -23.683 1.00 0.00 H new ATOM 0 HD11 LEU B 124 4.781 11.378 -23.247 1.00 0.00 H new ATOM 0 HD12 LEU B 124 3.691 12.623 -22.591 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.271 11.778 -24.100 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.122 11.830 -25.266 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.665 12.247 -26.199 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.012 13.405 -26.086 1.00 0.00 H new ATOM 1012 N VAL B 125 2.975 16.610 -26.465 1.00 0.00 N ATOM 1013 CA VAL B 125 2.593 17.176 -27.753 1.00 0.00 C ATOM 1014 C VAL B 125 3.285 18.512 -27.993 1.00 0.00 C ATOM 1015 O VAL B 125 3.974 18.694 -28.996 1.00 0.00 O ATOM 1016 CB VAL B 125 1.068 17.375 -27.848 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.692 17.987 -29.190 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.344 16.055 -27.634 1.00 0.00 C ATOM 0 H VAL B 125 2.193 16.425 -25.837 1.00 0.00 H new ATOM 0 HA VAL B 125 2.908 16.465 -28.517 1.00 0.00 H new ATOM 0 HB VAL B 125 0.759 18.064 -27.062 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.389 18.120 -29.239 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.182 18.954 -29.299 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.013 17.325 -29.994 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.732 16.215 -27.705 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.656 15.341 -28.397 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.589 15.662 -26.647 1.00 0.00 H new ATOM 1028 N ALA B 126 3.096 19.445 -27.065 1.00 0.00 N ATOM 1029 CA ALA B 126 3.705 20.765 -27.175 1.00 0.00 C ATOM 1030 C ALA B 126 5.204 20.658 -27.435 1.00 0.00 C ATOM 1031 O ALA B 126 5.711 21.188 -28.425 1.00 0.00 O ATOM 1032 CB ALA B 126 3.443 21.574 -25.913 1.00 0.00 C ATOM 0 H ALA B 126 2.526 19.311 -26.229 1.00 0.00 H new ATOM 0 HA ALA B 126 3.251 21.278 -28.023 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.903 22.557 -26.009 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.368 21.689 -25.771 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.869 21.056 -25.054 1.00 0.00 H new ATOM 1038 N TYR B 127 5.907 19.973 -26.541 1.00 0.00 N ATOM 1039 CA TYR B 127 7.350 19.800 -26.672 1.00 0.00 C ATOM 1040 C TYR B 127 7.717 19.337 -28.080 1.00 0.00 C ATOM 1041 O TYR B 127 8.371 20.060 -28.832 1.00 0.00 O ATOM 1042 CB TYR B 127 7.859 18.790 -25.643 1.00 0.00 C ATOM 1043 CG TYR B 127 9.365 18.653 -25.623 1.00 0.00 C ATOM 1044 CD1 TYR B 127 10.180 19.759 -25.413 1.00 0.00 C ATOM 1045 CD2 TYR B 127 9.973 17.419 -25.815 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.555 19.639 -25.394 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.348 17.289 -25.798 1.00 0.00 C ATOM 1048 CZ TYR B 127 12.135 18.402 -25.587 1.00 0.00 C ATOM 1049 OH TYR B 127 13.506 18.278 -25.570 1.00 0.00 O ATOM 0 H TYR B 127 5.502 19.528 -25.717 1.00 0.00 H new ATOM 0 HA TYR B 127 7.824 20.764 -26.490 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.517 19.089 -24.652 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.417 17.816 -25.853 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.730 20.729 -25.262 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.360 16.546 -25.981 1.00 0.00 H new ATOM 0 HE1 TYR B 127 12.174 20.509 -25.229 1.00 0.00 H new ATOM 0 HE2 TYR B 127 11.804 16.322 -25.949 1.00 0.00 H new ATOM 0 HH TYR B 127 13.752 17.341 -25.720 1.00 0.00 H new ATOM 1059 N ILE B 128 7.289 18.128 -28.428 1.00 0.00 N ATOM 1060 CA ILE B 128 7.571 17.569 -29.745 1.00 0.00 C ATOM 1061 C ILE B 128 7.212 18.558 -30.850 1.00 0.00 C ATOM 1062 O ILE B 128 8.043 18.887 -31.696 1.00 0.00 O ATOM 1063 CB ILE B 128 6.800 16.256 -29.976 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.204 15.213 -28.933 1.00 0.00 C ATOM 1065 CG2 ILE B 128 7.052 15.735 -31.382 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.061 14.324 -28.492 1.00 0.00 C ATOM 0 H ILE B 128 6.746 17.517 -27.817 1.00 0.00 H new ATOM 0 HA ILE B 128 8.641 17.363 -29.778 1.00 0.00 H new ATOM 0 HB ILE B 128 5.733 16.453 -29.870 1.00 0.00 H new ATOM 0 HG12 ILE B 128 8.000 14.591 -29.342 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.614 15.723 -28.061 1.00 0.00 H new ATOM 0 HG21 ILE B 128 6.500 14.807 -31.530 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.719 16.475 -32.109 1.00 0.00 H new ATOM 0 HG23 ILE B 128 8.118 15.549 -31.516 1.00 0.00 H new ATOM 0 HD11 ILE B 128 6.421 13.609 -27.752 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.273 14.936 -28.052 1.00 0.00 H new ATOM 0 HD13 ILE B 128 5.665 13.786 -29.353 1.00 0.00 H new ATOM 1078 N ALA B 129 5.969 19.029 -30.834 1.00 0.00 N ATOM 1079 CA ALA B 129 5.501 19.982 -31.832 1.00 0.00 C ATOM 1080 C ALA B 129 6.416 21.201 -31.899 1.00 0.00 C ATOM 1081 O ALA B 129 6.518 21.857 -32.934 1.00 0.00 O ATOM 1082 CB ALA B 129 4.073 20.409 -31.526 1.00 0.00 C ATOM 0 H ALA B 129 5.269 18.766 -30.141 1.00 0.00 H new ATOM 0 HA ALA B 129 5.521 19.490 -32.805 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.737 21.121 -32.280 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.422 19.535 -31.536 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.036 20.877 -30.542 1.00 0.00 H new ATOM 1088 N PHE B 130 7.080 21.498 -30.786 1.00 0.00 N ATOM 1089 CA PHE B 130 7.985 22.639 -30.718 1.00 0.00 C ATOM 1090 C PHE B 130 9.382 22.254 -31.197 1.00 0.00 C ATOM 1091 O PHE B 130 10.141 23.097 -31.676 1.00 0.00 O ATOM 1092 CB PHE B 130 8.055 23.177 -29.288 1.00 0.00 C ATOM 1093 CG PHE B 130 8.391 24.638 -29.212 1.00 0.00 C ATOM 1094 CD1 PHE B 130 9.711 25.059 -29.181 1.00 0.00 C ATOM 1095 CD2 PHE B 130 7.388 25.594 -29.174 1.00 0.00 C ATOM 1096 CE1 PHE B 130 10.023 26.403 -29.112 1.00 0.00 C ATOM 1097 CE2 PHE B 130 7.694 26.939 -29.104 1.00 0.00 C ATOM 1098 CZ PHE B 130 9.014 27.345 -29.074 1.00 0.00 C ATOM 0 H PHE B 130 7.008 20.964 -29.920 1.00 0.00 H new ATOM 0 HA PHE B 130 7.597 23.418 -31.374 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.097 23.007 -28.797 1.00 0.00 H new ATOM 0 HB3 PHE B 130 8.803 22.611 -28.732 1.00 0.00 H new ATOM 0 HD1 PHE B 130 10.505 24.328 -29.211 1.00 0.00 H new ATOM 0 HD2 PHE B 130 6.354 25.283 -29.199 1.00 0.00 H new ATOM 0 HE1 PHE B 130 11.056 26.717 -29.088 1.00 0.00 H new ATOM 0 HE2 PHE B 130 6.902 27.673 -29.073 1.00 0.00 H new ATOM 0 HZ PHE B 130 9.256 28.396 -29.021 1.00 0.00 H new ATOM 1108 N LYS B 131 9.715 20.975 -31.064 1.00 0.00 N ATOM 1109 CA LYS B 131 11.020 20.475 -31.483 1.00 0.00 C ATOM 1110 C LYS B 131 11.042 20.207 -32.984 1.00 0.00 C ATOM 1111 O LYS B 131 11.907 20.712 -33.701 1.00 0.00 O ATOM 1112 CB LYS B 131 11.368 19.195 -30.720 1.00 0.00 C ATOM 1113 CG LYS B 131 12.379 18.317 -31.436 1.00 0.00 C ATOM 1114 CD LYS B 131 12.764 17.111 -30.595 1.00 0.00 C ATOM 1115 CE LYS B 131 13.163 15.929 -31.466 1.00 0.00 C ATOM 1116 NZ LYS B 131 11.975 15.226 -32.025 1.00 0.00 N1+ ATOM 0 H LYS B 131 9.099 20.265 -30.669 1.00 0.00 H new ATOM 0 HA LYS B 131 11.764 21.238 -31.257 1.00 0.00 H new ATOM 0 HB2 LYS B 131 11.761 19.462 -29.739 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.456 18.622 -30.553 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.963 17.982 -32.386 1.00 0.00 H new ATOM 0 HG3 LYS B 131 13.270 18.900 -31.667 1.00 0.00 H new ATOM 0 HD2 LYS B 131 13.591 17.375 -29.936 1.00 0.00 H new ATOM 0 HD3 LYS B 131 11.926 16.828 -29.957 1.00 0.00 H new ATOM 0 HE2 LYS B 131 13.797 16.277 -32.282 1.00 0.00 H new ATOM 0 HE3 LYS B 131 13.756 15.229 -30.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 12.289 14.427 -32.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 11.383 14.872 -31.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 11.422 15.887 -32.607 1.00 0.00 H new ATOM 1130 N ARG B 132 10.088 19.412 -33.454 1.00 0.00 N ATOM 1131 CA ARG B 132 9.999 19.077 -34.870 1.00 0.00 C ATOM 1132 C ARG B 132 10.012 20.339 -35.729 1.00 0.00 C ATOM 1133 O ARG B 132 10.801 20.456 -36.666 1.00 0.00 O ATOM 1134 CB ARG B 132 8.729 18.272 -35.148 1.00 0.00 C ATOM 1135 CG ARG B 132 8.987 16.952 -35.856 1.00 0.00 C ATOM 1136 CD ARG B 132 7.689 16.290 -36.291 1.00 0.00 C ATOM 1137 NE ARG B 132 7.893 14.903 -36.700 1.00 0.00 N ATOM 1138 CZ ARG B 132 8.450 14.550 -37.853 1.00 0.00 C ATOM 1139 NH1 ARG B 132 8.856 15.479 -38.708 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 8.601 13.267 -38.154 1.00 0.00 N ATOM 0 H ARG B 132 9.364 18.987 -32.874 1.00 0.00 H new ATOM 0 HA ARG B 132 10.868 18.472 -35.129 1.00 0.00 H new ATOM 0 HB2 ARG B 132 8.220 18.075 -34.204 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.053 18.874 -35.755 1.00 0.00 H new ATOM 0 HG2 ARG B 132 9.619 17.123 -36.727 1.00 0.00 H new ATOM 0 HG3 ARG B 132 9.533 16.282 -35.192 1.00 0.00 H new ATOM 0 HD2 ARG B 132 6.972 16.324 -35.471 1.00 0.00 H new ATOM 0 HD3 ARG B 132 7.255 16.852 -37.118 1.00 0.00 H new ATOM 0 HE ARG B 132 7.591 14.164 -36.065 1.00 0.00 H new ATOM 0 HH11 ARG B 132 8.741 16.467 -38.481 1.00 0.00 H new ATOM 0 HH12 ARG B 132 9.284 15.206 -39.593 1.00 0.00 H new ATOM 0 HH21 ARG B 132 8.289 12.549 -37.500 1.00 0.00 H new ATOM 0 HH22 ARG B 132 9.029 12.998 -39.040 1.00 0.00 H new