USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 372 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 70 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -12.004 -9.940 2.200 1.00 0.00 N ATOM 142 CA PRO A 51 -12.563 -10.254 3.518 1.00 0.00 C ATOM 143 C PRO A 51 -13.225 -9.045 4.170 1.00 0.00 C ATOM 144 O PRO A 51 -14.286 -9.162 4.785 1.00 0.00 O ATOM 145 CB PRO A 51 -11.339 -10.694 4.327 1.00 0.00 C ATOM 146 CG PRO A 51 -10.186 -10.022 3.665 1.00 0.00 C ATOM 147 CD PRO A 51 -10.531 -9.952 2.203 1.00 0.00 C ATOM 0 HA PRO A 51 -13.346 -11.010 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.426 -10.394 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.225 -11.778 4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.027 -9.025 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.265 -10.583 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.121 -9.057 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.135 -10.807 1.655 1.00 0.00 H new ATOM 155 N LEU A 52 -12.593 -7.884 4.032 1.00 0.00 N ATOM 156 CA LEU A 52 -13.122 -6.652 4.608 1.00 0.00 C ATOM 157 C LEU A 52 -14.566 -6.425 4.174 1.00 0.00 C ATOM 158 O LEU A 52 -15.489 -6.508 4.985 1.00 0.00 O ATOM 159 CB LEU A 52 -12.258 -5.460 4.191 1.00 0.00 C ATOM 160 CG LEU A 52 -12.752 -4.085 4.641 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.773 -3.996 6.159 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.878 -2.986 4.053 1.00 0.00 C ATOM 0 H LEU A 52 -11.714 -7.770 3.527 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.099 -6.747 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.253 -5.610 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.177 -5.457 3.104 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.770 -3.948 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.127 -3.010 6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.440 -4.760 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.767 -4.154 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.244 -2.014 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.850 -3.120 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.914 -3.036 2.965 1.00 0.00 H new ATOM 174 N ILE A 53 -14.755 -6.140 2.890 1.00 0.00 N ATOM 175 CA ILE A 53 -16.088 -5.904 2.348 1.00 0.00 C ATOM 176 C ILE A 53 -17.010 -7.086 2.624 1.00 0.00 C ATOM 177 O ILE A 53 -18.155 -6.910 3.039 1.00 0.00 O ATOM 178 CB ILE A 53 -16.041 -5.647 0.830 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.057 -4.519 0.512 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.429 -5.309 0.307 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.963 -4.197 -0.963 1.00 0.00 C ATOM 0 H ILE A 53 -14.002 -6.067 2.206 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.479 -5.017 2.846 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.698 -6.554 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.358 -3.622 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.069 -4.796 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.379 -5.130 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.105 -6.141 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.798 -4.414 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.248 -3.389 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.632 -5.081 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.942 -3.889 -1.331 1.00 0.00 H new ATOM 193 N ALA A 54 -16.503 -8.293 2.392 1.00 0.00 N ATOM 194 CA ALA A 54 -17.280 -9.505 2.619 1.00 0.00 C ATOM 195 C ALA A 54 -17.877 -9.520 4.022 1.00 0.00 C ATOM 196 O ALA A 54 -19.096 -9.546 4.188 1.00 0.00 O ATOM 197 CB ALA A 54 -16.413 -10.736 2.399 1.00 0.00 C ATOM 0 H ALA A 54 -15.557 -8.457 2.047 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.102 -9.520 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.006 -11.634 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.039 -10.739 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.572 -10.717 3.092 1.00 0.00 H new ATOM 203 N ALA A 55 -17.010 -9.504 5.029 1.00 0.00 N ATOM 204 CA ALA A 55 -17.452 -9.514 6.418 1.00 0.00 C ATOM 205 C ALA A 55 -18.476 -8.414 6.676 1.00 0.00 C ATOM 206 O ALA A 55 -19.395 -8.584 7.475 1.00 0.00 O ATOM 207 CB ALA A 55 -16.261 -9.359 7.352 1.00 0.00 C ATOM 0 H ALA A 55 -15.997 -9.484 4.909 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.931 -10.473 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.606 -9.368 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.565 -10.183 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.757 -8.415 7.146 1.00 0.00 H new ATOM 213 N GLY A 56 -18.310 -7.285 5.994 1.00 0.00 N ATOM 214 CA GLY A 56 -19.227 -6.173 6.165 1.00 0.00 C ATOM 215 C GLY A 56 -20.656 -6.543 5.822 1.00 0.00 C ATOM 216 O GLY A 56 -21.557 -6.402 6.649 1.00 0.00 O ATOM 0 H GLY A 56 -17.557 -7.120 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.183 -5.825 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.908 -5.343 5.534 1.00 0.00 H new ATOM 220 N VAL A 57 -20.866 -7.016 4.597 1.00 0.00 N ATOM 221 CA VAL A 57 -22.196 -7.407 4.146 1.00 0.00 C ATOM 222 C VAL A 57 -22.725 -8.588 4.952 1.00 0.00 C ATOM 223 O VAL A 57 -23.917 -8.663 5.253 1.00 0.00 O ATOM 224 CB VAL A 57 -22.195 -7.780 2.651 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.616 -7.995 2.153 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.492 -6.705 1.835 1.00 0.00 C ATOM 0 H VAL A 57 -20.132 -7.137 3.900 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.847 -6.546 4.298 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.648 -8.714 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.595 -8.258 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.081 -8.803 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.191 -7.079 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.500 -6.984 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.010 -5.754 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.461 -6.605 2.176 1.00 0.00 H new ATOM 236 N ILE A 58 -21.832 -9.507 5.300 1.00 0.00 N ATOM 237 CA ILE A 58 -22.208 -10.684 6.074 1.00 0.00 C ATOM 238 C ILE A 58 -22.679 -10.295 7.471 1.00 0.00 C ATOM 239 O ILE A 58 -23.723 -10.752 7.936 1.00 0.00 O ATOM 240 CB ILE A 58 -21.037 -11.676 6.197 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.660 -12.226 4.820 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.399 -12.809 7.145 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.439 -13.119 4.839 1.00 0.00 C ATOM 0 H ILE A 58 -20.842 -9.460 5.058 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.026 -11.166 5.538 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.175 -11.149 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.504 -12.787 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.480 -11.392 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.561 -13.502 7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.623 -12.401 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.273 -13.337 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.231 -13.472 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.582 -12.556 5.210 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.623 -13.973 5.491 1.00 0.00 H new ATOM 255 N GLY A 59 -21.902 -9.446 8.137 1.00 0.00 N ATOM 256 CA GLY A 59 -22.257 -9.009 9.475 1.00 0.00 C ATOM 257 C GLY A 59 -23.625 -8.359 9.528 1.00 0.00 C ATOM 258 O GLY A 59 -24.472 -8.745 10.333 1.00 0.00 O ATOM 0 H GLY A 59 -21.033 -9.053 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.238 -9.864 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.508 -8.303 9.834 1.00 0.00 H new ATOM 262 N GLY A 60 -23.843 -7.368 8.669 1.00 0.00 N ATOM 263 CA GLY A 60 -25.119 -6.678 8.640 1.00 0.00 C ATOM 264 C GLY A 60 -26.282 -7.621 8.406 1.00 0.00 C ATOM 265 O GLY A 60 -27.327 -7.501 9.048 1.00 0.00 O ATOM 0 H GLY A 60 -23.158 -7.031 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.266 -6.152 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.103 -5.924 7.853 1.00 0.00 H new ATOM 269 N LEU A 61 -26.104 -8.560 7.483 1.00 0.00 N ATOM 270 CA LEU A 61 -27.149 -9.527 7.165 1.00 0.00 C ATOM 271 C LEU A 61 -27.379 -10.484 8.330 1.00 0.00 C ATOM 272 O LEU A 61 -28.486 -10.575 8.863 1.00 0.00 O ATOM 273 CB LEU A 61 -26.775 -10.316 5.909 1.00 0.00 C ATOM 274 CG LEU A 61 -26.923 -9.573 4.580 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.290 -10.370 3.450 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.390 -9.297 4.285 1.00 0.00 C ATOM 0 H LEU A 61 -25.247 -8.672 6.942 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.073 -8.979 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.740 -10.644 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.392 -11.214 5.871 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.403 -8.618 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.405 -9.826 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.230 -10.516 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.781 -11.340 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.477 -8.768 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.933 -10.240 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.812 -8.685 5.082 1.00 0.00 H new ATOM 288 N PHE A 62 -26.327 -11.194 8.723 1.00 0.00 N ATOM 289 CA PHE A 62 -26.414 -12.143 9.827 1.00 0.00 C ATOM 290 C PHE A 62 -27.031 -11.489 11.059 1.00 0.00 C ATOM 291 O PHE A 62 -28.020 -11.979 11.606 1.00 0.00 O ATOM 292 CB PHE A 62 -25.027 -12.691 10.167 1.00 0.00 C ATOM 293 CG PHE A 62 -25.040 -13.719 11.262 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.992 -14.726 11.274 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.100 -13.678 12.279 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.007 -15.672 12.281 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.110 -14.622 13.289 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.064 -15.621 13.289 1.00 0.00 C ATOM 0 H PHE A 62 -25.404 -11.130 8.293 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.056 -12.967 9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.590 -13.132 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.381 -11.864 10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.731 -14.772 10.487 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.351 -12.900 12.283 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.755 -16.451 12.280 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.373 -14.578 14.077 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.073 -16.361 14.076 1.00 0.00 H new ATOM 308 N ILE A 63 -26.440 -10.380 11.491 1.00 0.00 N ATOM 309 CA ILE A 63 -26.931 -9.658 12.658 1.00 0.00 C ATOM 310 C ILE A 63 -28.420 -9.352 12.529 1.00 0.00 C ATOM 311 O ILE A 63 -29.183 -9.513 13.483 1.00 0.00 O ATOM 312 CB ILE A 63 -26.164 -8.339 12.868 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.713 -8.624 13.260 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.848 -7.492 13.931 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.569 -9.264 14.623 1.00 0.00 C ATOM 0 H ILE A 63 -25.621 -9.962 11.050 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.768 -10.305 13.520 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.165 -7.782 11.931 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.265 -9.278 12.512 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.151 -7.690 13.245 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.294 -6.563 14.068 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.866 -7.264 13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.874 -8.041 14.872 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.514 -9.437 14.834 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.987 -8.602 15.382 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.102 -10.214 14.637 1.00 0.00 H new ATOM 327 N LEU A 64 -28.827 -8.913 11.344 1.00 0.00 N ATOM 328 CA LEU A 64 -30.226 -8.587 11.088 1.00 0.00 C ATOM 329 C LEU A 64 -31.094 -9.840 11.129 1.00 0.00 C ATOM 330 O LEU A 64 -32.239 -9.801 11.579 1.00 0.00 O ATOM 331 CB LEU A 64 -30.369 -7.897 9.730 1.00 0.00 C ATOM 332 CG LEU A 64 -29.933 -6.433 9.672 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.800 -5.973 8.228 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.920 -5.552 10.425 1.00 0.00 C ATOM 0 H LEU A 64 -28.209 -8.774 10.545 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.564 -7.908 11.871 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.788 -8.457 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.413 -7.957 9.423 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.958 -6.345 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.489 -4.929 8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.055 -6.584 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.761 -6.076 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.594 -4.513 10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.908 -5.645 9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.966 -5.866 11.468 1.00 0.00 H new ATOM 346 N VAL A 65 -30.540 -10.953 10.659 1.00 0.00 N ATOM 347 CA VAL A 65 -31.262 -12.220 10.645 1.00 0.00 C ATOM 348 C VAL A 65 -31.696 -12.621 12.050 1.00 0.00 C ATOM 349 O VAL A 65 -32.841 -13.020 12.267 1.00 0.00 O ATOM 350 CB VAL A 65 -30.404 -13.348 10.042 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.145 -14.675 10.107 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.015 -13.015 8.610 1.00 0.00 C ATOM 0 H VAL A 65 -29.593 -11.003 10.283 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.145 -12.074 10.023 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.491 -13.440 10.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.524 -15.460 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.367 -14.917 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.076 -14.600 9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.409 -13.823 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.915 -12.895 8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.442 -12.088 8.595 1.00 0.00 H new ATOM 362 N ILE A 66 -30.775 -12.511 13.001 1.00 0.00 N ATOM 363 CA ILE A 66 -31.063 -12.861 14.387 1.00 0.00 C ATOM 364 C ILE A 66 -32.084 -11.904 14.994 1.00 0.00 C ATOM 365 O ILE A 66 -33.138 -12.324 15.470 1.00 0.00 O ATOM 366 CB ILE A 66 -29.787 -12.847 15.248 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.713 -13.738 14.621 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.099 -13.302 16.666 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.447 -12.995 14.257 1.00 0.00 C ATOM 0 H ILE A 66 -29.823 -12.182 12.838 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.474 -13.870 14.379 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.407 -11.826 15.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.466 -14.540 15.317 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.119 -14.207 13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.187 -13.287 17.262 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.834 -12.631 17.110 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.500 -14.315 16.643 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.731 -13.690 13.818 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.680 -12.210 13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.017 -12.549 15.153 1.00 0.00 H new ATOM 381 N VAL A 67 -31.763 -10.614 14.973 1.00 0.00 N ATOM 382 CA VAL A 67 -32.652 -9.596 15.519 1.00 0.00 C ATOM 383 C VAL A 67 -34.045 -9.697 14.907 1.00 0.00 C ATOM 384 O VAL A 67 -35.043 -9.794 15.621 1.00 0.00 O ATOM 385 CB VAL A 67 -32.099 -8.179 15.277 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.961 -7.142 15.982 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.653 -8.086 15.740 1.00 0.00 C ATOM 0 H VAL A 67 -30.894 -10.250 14.584 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.716 -9.775 16.592 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.128 -7.974 14.207 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.555 -6.147 15.800 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.980 -7.194 15.598 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.966 -7.341 17.054 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.278 -7.078 15.562 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.597 -8.311 16.805 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.047 -8.802 15.185 1.00 0.00 H new ATOM 397 N GLY A 68 -34.105 -9.675 13.579 1.00 0.00 N ATOM 398 CA GLY A 68 -35.380 -9.766 12.892 1.00 0.00 C ATOM 399 C GLY A 68 -36.205 -10.950 13.356 1.00 0.00 C ATOM 400 O GLY A 68 -37.341 -10.787 13.806 1.00 0.00 O ATOM 0 H GLY A 68 -33.293 -9.596 12.967 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.944 -8.848 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.206 -9.846 11.819 1.00 0.00 H new ATOM 404 N LEU A 69 -35.636 -12.145 13.246 1.00 0.00 N ATOM 405 CA LEU A 69 -36.327 -13.362 13.657 1.00 0.00 C ATOM 406 C LEU A 69 -36.719 -13.296 15.129 1.00 0.00 C ATOM 407 O LEU A 69 -37.836 -13.654 15.503 1.00 0.00 O ATOM 408 CB LEU A 69 -35.442 -14.584 13.407 1.00 0.00 C ATOM 409 CG LEU A 69 -35.313 -15.033 11.951 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.404 -16.248 11.845 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.684 -15.338 11.364 1.00 0.00 C ATOM 0 H LEU A 69 -34.698 -12.297 12.876 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.236 -13.452 13.062 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.444 -14.369 13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.835 -15.417 13.990 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.867 -14.220 11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.324 -16.553 10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.414 -15.996 12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.821 -17.067 12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.573 -15.656 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.157 -16.134 11.939 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.305 -14.443 11.405 1.00 0.00 H new ATOM 423 N THR A 70 -35.792 -12.834 15.963 1.00 0.00 N ATOM 424 CA THR A 70 -36.039 -12.720 17.394 1.00 0.00 C ATOM 425 C THR A 70 -37.329 -11.954 17.670 1.00 0.00 C ATOM 426 O THR A 70 -38.065 -12.274 18.603 1.00 0.00 O ATOM 427 CB THR A 70 -34.873 -12.014 18.112 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.696 -12.826 18.048 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.223 -11.732 19.565 1.00 0.00 C ATOM 0 H THR A 70 -34.862 -12.533 15.671 1.00 0.00 H new ATOM 0 HA THR A 70 -36.132 -13.735 17.780 1.00 0.00 H new ATOM 0 HB THR A 70 -34.687 -11.065 17.610 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.326 -12.795 17.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.384 -11.233 20.051 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.102 -11.090 19.609 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.433 -12.671 20.077 1.00 0.00 H new ATOM 437 N PHE A 71 -37.597 -10.942 16.851 1.00 0.00 N ATOM 438 CA PHE A 71 -38.798 -10.131 17.007 1.00 0.00 C ATOM 439 C PHE A 71 -40.041 -10.914 16.594 1.00 0.00 C ATOM 440 O PHE A 71 -41.009 -11.005 17.348 1.00 0.00 O ATOM 441 CB PHE A 71 -38.687 -8.852 16.174 1.00 0.00 C ATOM 442 CG PHE A 71 -39.760 -7.845 16.476 1.00 0.00 C ATOM 443 CD1 PHE A 71 -39.602 -6.934 17.508 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.925 -7.809 15.727 1.00 0.00 C ATOM 445 CE1 PHE A 71 -40.588 -6.007 17.788 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.914 -6.883 16.002 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.745 -5.981 17.034 1.00 0.00 C ATOM 0 H PHE A 71 -36.999 -10.664 16.073 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.892 -9.864 18.060 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.712 -8.397 16.350 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.731 -9.112 15.116 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -38.699 -6.949 18.100 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -41.062 -8.512 14.919 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -40.454 -5.303 18.596 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.818 -6.865 15.411 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.516 -5.257 17.251 1.00 0.00 H new ATOM 457 N ALA A 72 -40.006 -11.476 15.390 1.00 0.00 N ATOM 458 CA ALA A 72 -41.128 -12.252 14.876 1.00 0.00 C ATOM 459 C ALA A 72 -41.423 -13.449 15.773 1.00 0.00 C ATOM 460 O ALA A 72 -42.571 -13.877 15.896 1.00 0.00 O ATOM 461 CB ALA A 72 -40.844 -12.712 13.454 1.00 0.00 C ATOM 0 H ALA A 72 -39.213 -11.408 14.752 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.009 -11.611 14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.690 -13.290 13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.690 -11.843 12.814 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.948 -13.333 13.445 1.00 0.00 H new ATOM 467 N VAL A 73 -40.380 -13.987 16.398 1.00 0.00 N ATOM 468 CA VAL A 73 -40.528 -15.135 17.284 1.00 0.00 C ATOM 469 C VAL A 73 -41.101 -14.718 18.633 1.00 0.00 C ATOM 470 O VAL A 73 -42.059 -15.314 19.124 1.00 0.00 O ATOM 471 CB VAL A 73 -39.182 -15.848 17.508 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.340 -16.988 18.503 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.622 -16.356 16.188 1.00 0.00 C ATOM 0 H VAL A 73 -39.423 -13.646 16.307 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.219 -15.824 16.797 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.476 -15.130 17.924 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.378 -17.480 18.648 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.693 -16.593 19.456 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.062 -17.709 18.119 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.670 -16.857 16.365 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.325 -17.059 15.741 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.469 -15.516 15.510 1.00 0.00 H new ATOM 483 N TYR A 74 -40.508 -13.689 19.229 1.00 0.00 N ATOM 484 CA TYR A 74 -40.957 -13.192 20.523 1.00 0.00 C ATOM 485 C TYR A 74 -42.449 -12.875 20.497 1.00 0.00 C ATOM 486 O TYR A 74 -43.177 -13.176 21.443 1.00 0.00 O ATOM 487 CB TYR A 74 -40.166 -11.944 20.917 1.00 0.00 C ATOM 488 CG TYR A 74 -40.311 -11.569 22.375 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.492 -11.019 22.857 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.267 -11.767 23.270 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.628 -10.675 24.188 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.394 -11.427 24.603 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.577 -10.881 25.057 1.00 0.00 C ATOM 494 OH TYR A 74 -40.709 -10.541 26.384 1.00 0.00 O ATOM 0 H TYR A 74 -39.715 -13.183 18.836 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.783 -13.973 21.263 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.111 -12.108 20.696 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.494 -11.107 20.301 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.318 -10.858 22.180 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.340 -12.194 22.917 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.553 -10.247 24.546 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.572 -11.588 25.285 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.878 -10.751 26.860 1.00 0.00 H new ATOM 504 N VAL A 75 -42.898 -12.264 19.405 1.00 0.00 N ATOM 505 CA VAL A 75 -44.304 -11.906 19.252 1.00 0.00 C ATOM 506 C VAL A 75 -45.180 -13.150 19.153 1.00 0.00 C ATOM 507 O VAL A 75 -46.217 -13.244 19.808 1.00 0.00 O ATOM 508 CB VAL A 75 -44.528 -11.032 18.004 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.014 -10.810 17.767 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.798 -9.705 18.144 1.00 0.00 C ATOM 0 H VAL A 75 -42.309 -12.007 18.613 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.585 -11.338 20.139 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.121 -11.555 17.139 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.153 -10.190 16.881 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.506 -11.771 17.618 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.450 -10.309 18.632 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.968 -9.101 17.253 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.173 -9.174 19.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.730 -9.888 18.260 1.00 0.00 H new ATOM 520 N ARG A 76 -44.754 -14.102 18.329 1.00 0.00 N ATOM 521 CA ARG A 76 -45.501 -15.340 18.143 1.00 0.00 C ATOM 522 C ARG A 76 -45.810 -15.996 19.486 1.00 0.00 C ATOM 523 O ARG A 76 -46.902 -16.524 19.693 1.00 0.00 O ATOM 524 CB ARG A 76 -44.711 -16.309 17.260 1.00 0.00 C ATOM 525 CG ARG A 76 -44.690 -15.916 15.792 1.00 0.00 C ATOM 526 CD ARG A 76 -43.481 -16.498 15.077 1.00 0.00 C ATOM 527 NE ARG A 76 -43.846 -17.607 14.199 1.00 0.00 N ATOM 528 CZ ARG A 76 -42.980 -18.243 13.419 1.00 0.00 C ATOM 529 NH1 ARG A 76 -41.704 -17.883 13.408 1.00 0.00 N ATOM 530 NH2 ARG A 76 -43.389 -19.243 12.648 1.00 0.00 N ATOM 0 H ARG A 76 -43.896 -14.040 17.780 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.443 -15.096 17.652 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.686 -16.368 17.626 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.141 -17.306 17.354 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.603 -16.264 15.308 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.677 -14.830 15.705 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -42.995 -15.717 14.492 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -42.755 -16.843 15.814 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.820 -17.909 14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -41.385 -17.116 14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -41.041 -18.373 12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.370 -19.524 12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -42.723 -19.731 12.049 1.00 0.00 H new ATOM 544 N ARG A 77 -44.840 -15.959 20.394 1.00 0.00 N ATOM 545 CA ARG A 77 -45.007 -16.550 21.715 1.00 0.00 C ATOM 546 C ARG A 77 -46.293 -16.056 22.373 1.00 0.00 C ATOM 547 O ARG A 77 -46.885 -16.748 23.202 1.00 0.00 O ATOM 548 CB ARG A 77 -43.807 -16.217 22.603 1.00 0.00 C ATOM 549 CG ARG A 77 -42.559 -17.015 22.265 1.00 0.00 C ATOM 550 CD ARG A 77 -41.295 -16.265 22.654 1.00 0.00 C ATOM 551 NE ARG A 77 -40.540 -16.965 23.690 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.844 -16.914 24.983 1.00 0.00 C ATOM 553 NH1 ARG A 77 -41.883 -16.200 25.395 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.110 -17.579 25.865 1.00 0.00 N ATOM 0 H ARG A 77 -43.930 -15.525 20.238 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.072 -17.631 21.595 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.583 -15.154 22.513 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -44.074 -16.400 23.644 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.588 -17.974 22.782 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.542 -17.230 21.196 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.666 -16.133 21.774 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.559 -15.269 23.009 1.00 0.00 H new ATOM 0 HE ARG A 77 -39.735 -17.524 23.406 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -42.451 -15.689 24.719 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -42.114 -16.162 26.388 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -39.311 -18.130 25.551 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.344 -17.539 26.857 1.00 0.00 H new ATOM 568 N LYS A 78 -46.719 -14.855 21.998 1.00 0.00 N ATOM 569 CA LYS A 78 -47.934 -14.267 22.550 1.00 0.00 C ATOM 570 C LYS A 78 -49.174 -14.960 21.995 1.00 0.00 C ATOM 571 O LYS A 78 -50.139 -15.200 22.720 1.00 0.00 O ATOM 572 CB LYS A 78 -47.989 -12.770 22.236 1.00 0.00 C ATOM 573 CG LYS A 78 -48.252 -11.902 23.454 1.00 0.00 C ATOM 574 CD LYS A 78 -47.828 -10.463 23.215 1.00 0.00 C ATOM 575 CE LYS A 78 -46.359 -10.252 23.548 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.126 -8.945 24.222 1.00 0.00 N ATOM 0 H LYS A 78 -46.241 -14.269 21.314 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.916 -14.404 23.631 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.045 -12.468 21.782 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.770 -12.591 21.497 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -49.313 -11.933 23.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.712 -12.304 24.312 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -48.008 -10.198 22.173 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.439 -9.797 23.823 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -46.013 -11.060 24.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.769 -10.299 22.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.113 -8.839 24.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -46.433 -8.172 23.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.669 -8.910 25.108 1.00 0.00 H new ATOM 875 N LEU B 52 -10.964 -7.006 8.629 1.00 0.00 N ATOM 876 CA LEU B 52 -11.977 -8.054 8.565 1.00 0.00 C ATOM 877 C LEU B 52 -12.896 -7.999 9.781 1.00 0.00 C ATOM 878 O LEU B 52 -14.075 -7.663 9.665 1.00 0.00 O ATOM 879 CB LEU B 52 -11.312 -9.429 8.476 1.00 0.00 C ATOM 880 CG LEU B 52 -12.254 -10.633 8.496 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.172 -10.614 7.284 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.461 -11.930 8.546 1.00 0.00 C ATOM 0 HA LEU B 52 -12.578 -7.889 7.671 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.725 -9.468 7.558 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.613 -9.526 9.306 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.870 -10.572 9.393 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.835 -11.479 7.316 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.767 -9.700 7.292 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.574 -10.649 6.374 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.148 -12.776 8.560 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.819 -11.998 7.668 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.847 -11.947 9.446 1.00 0.00 H new ATOM 894 N ILE B 53 -12.348 -8.329 10.945 1.00 0.00 N ATOM 895 CA ILE B 53 -13.118 -8.313 12.183 1.00 0.00 C ATOM 896 C ILE B 53 -13.745 -6.944 12.423 1.00 0.00 C ATOM 897 O ILE B 53 -14.917 -6.842 12.784 1.00 0.00 O ATOM 898 CB ILE B 53 -12.243 -8.684 13.395 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.532 -10.017 13.150 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.089 -8.754 14.658 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.660 -10.458 14.304 1.00 0.00 C ATOM 0 H ILE B 53 -11.374 -8.611 11.057 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.907 -9.057 12.073 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.488 -7.910 13.529 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.278 -10.787 12.954 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.918 -9.933 12.253 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.456 -9.017 15.506 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.553 -7.785 14.839 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.864 -9.510 14.535 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.188 -11.410 14.060 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.891 -9.708 14.486 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.272 -10.575 15.198 1.00 0.00 H new ATOM 913 N ALA B 54 -12.957 -5.894 12.219 1.00 0.00 N ATOM 914 CA ALA B 54 -13.436 -4.531 12.409 1.00 0.00 C ATOM 915 C ALA B 54 -14.725 -4.289 11.632 1.00 0.00 C ATOM 916 O ALA B 54 -15.763 -3.977 12.215 1.00 0.00 O ATOM 917 CB ALA B 54 -12.368 -3.532 11.988 1.00 0.00 C ATOM 0 H ALA B 54 -11.984 -5.961 11.922 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.650 -4.392 13.469 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.740 -2.518 12.135 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.472 -3.681 12.591 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.126 -3.680 10.936 1.00 0.00 H new ATOM 923 N ALA B 55 -14.652 -4.433 10.313 1.00 0.00 N ATOM 924 CA ALA B 55 -15.814 -4.231 9.457 1.00 0.00 C ATOM 925 C ALA B 55 -17.007 -5.040 9.951 1.00 0.00 C ATOM 926 O ALA B 55 -18.150 -4.591 9.873 1.00 0.00 O ATOM 927 CB ALA B 55 -15.481 -4.602 8.019 1.00 0.00 C ATOM 0 H ALA B 55 -13.800 -4.689 9.814 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.084 -3.176 9.495 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.358 -4.446 7.391 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.663 -3.976 7.662 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.183 -5.650 7.973 1.00 0.00 H new ATOM 933 N GLY B 56 -16.735 -6.238 10.461 1.00 0.00 N ATOM 934 CA GLY B 56 -17.797 -7.091 10.960 1.00 0.00 C ATOM 935 C GLY B 56 -18.607 -6.428 12.056 1.00 0.00 C ATOM 936 O GLY B 56 -19.826 -6.294 11.943 1.00 0.00 O ATOM 0 H GLY B 56 -15.797 -6.632 10.537 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.458 -7.362 10.137 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.366 -8.017 11.341 1.00 0.00 H new ATOM 940 N VAL B 57 -17.930 -6.012 13.121 1.00 0.00 N ATOM 941 CA VAL B 57 -18.594 -5.360 14.243 1.00 0.00 C ATOM 942 C VAL B 57 -19.223 -4.038 13.816 1.00 0.00 C ATOM 943 O VAL B 57 -20.306 -3.677 14.278 1.00 0.00 O ATOM 944 CB VAL B 57 -17.613 -5.098 15.401 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.358 -4.597 16.629 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.822 -6.357 15.724 1.00 0.00 C ATOM 0 H VAL B 57 -16.921 -6.115 13.230 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.376 -6.038 14.585 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.910 -4.324 15.091 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.649 -4.417 17.437 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.875 -3.669 16.387 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.085 -5.346 16.944 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.134 -6.154 16.544 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.508 -7.153 16.014 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.257 -6.667 14.845 1.00 0.00 H new ATOM 956 N ILE B 58 -18.538 -3.322 12.931 1.00 0.00 N ATOM 957 CA ILE B 58 -19.030 -2.041 12.441 1.00 0.00 C ATOM 958 C ILE B 58 -20.323 -2.215 11.651 1.00 0.00 C ATOM 959 O ILE B 58 -21.287 -1.476 11.848 1.00 0.00 O ATOM 960 CB ILE B 58 -17.988 -1.341 11.549 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.747 -0.977 12.367 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.588 -0.099 10.907 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.624 -0.398 11.535 1.00 0.00 C ATOM 0 H ILE B 58 -17.641 -3.607 12.539 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.222 -1.421 13.317 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.690 -2.028 10.757 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.027 -0.257 13.136 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.386 -1.868 12.881 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.839 0.384 10.280 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.445 -0.383 10.296 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.911 0.593 11.685 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.777 -0.163 12.180 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.317 -1.124 10.783 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.968 0.511 11.042 1.00 0.00 H new ATOM 975 N GLY B 59 -20.337 -3.199 10.757 1.00 0.00 N ATOM 976 CA GLY B 59 -21.517 -3.454 9.952 1.00 0.00 C ATOM 977 C GLY B 59 -22.739 -3.759 10.796 1.00 0.00 C ATOM 978 O GLY B 59 -23.791 -3.146 10.622 1.00 0.00 O ATOM 0 H GLY B 59 -19.552 -3.824 10.576 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.720 -2.586 9.325 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.323 -4.292 9.283 1.00 0.00 H new ATOM 982 N GLY B 60 -22.600 -4.713 11.712 1.00 0.00 N ATOM 983 CA GLY B 60 -23.710 -5.083 12.571 1.00 0.00 C ATOM 984 C GLY B 60 -24.247 -3.908 13.365 1.00 0.00 C ATOM 985 O GLY B 60 -25.459 -3.751 13.513 1.00 0.00 O ATOM 0 H GLY B 60 -21.739 -5.236 11.874 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.511 -5.503 11.963 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.388 -5.865 13.259 1.00 0.00 H new ATOM 989 N LEU B 61 -23.343 -3.081 13.878 1.00 0.00 N ATOM 990 CA LEU B 61 -23.731 -1.915 14.663 1.00 0.00 C ATOM 991 C LEU B 61 -24.408 -0.868 13.784 1.00 0.00 C ATOM 992 O LEU B 61 -25.568 -0.517 14.000 1.00 0.00 O ATOM 993 CB LEU B 61 -22.507 -1.307 15.350 1.00 0.00 C ATOM 994 CG LEU B 61 -22.004 -2.038 16.595 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.653 -1.489 17.027 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.015 -1.923 17.727 1.00 0.00 C ATOM 0 H LEU B 61 -22.336 -3.196 13.764 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.442 -2.240 15.423 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.694 -1.262 14.626 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.744 -0.280 15.627 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.883 -3.093 16.349 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.311 -2.021 17.915 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.931 -1.624 16.222 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.748 -0.427 17.255 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.640 -2.449 18.605 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.169 -0.872 17.972 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.961 -2.365 17.416 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.675 -0.374 12.791 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.205 0.633 11.878 1.00 0.00 C ATOM 1010 C PHE B 62 -25.547 0.192 11.302 1.00 0.00 C ATOM 1011 O PHE B 62 -26.548 0.898 11.423 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.212 0.896 10.744 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.661 1.966 9.791 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.198 3.152 10.264 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.544 1.786 8.422 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.613 4.138 9.388 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.957 2.769 7.542 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.491 3.947 8.026 1.00 0.00 C ATOM 0 H PHE B 62 -22.713 -0.654 12.598 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.356 1.554 12.440 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.251 1.182 11.172 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.052 -0.029 10.190 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.294 3.308 11.328 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.125 0.867 8.038 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.032 5.057 9.769 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.862 2.616 6.477 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.813 4.717 7.341 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.559 -0.980 10.676 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.778 -1.515 10.081 1.00 0.00 C ATOM 1030 C ILE B 63 -27.916 -1.548 11.096 1.00 0.00 C ATOM 1031 O ILE B 63 -29.059 -1.222 10.774 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.557 -2.935 9.528 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.582 -2.901 8.349 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.883 -3.552 9.107 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.125 -2.180 7.136 1.00 0.00 C ATOM 0 H ILE B 63 -24.739 -1.577 10.568 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.047 -0.851 9.259 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.125 -3.552 10.316 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.658 -2.417 8.666 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.327 -3.923 8.070 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.710 -4.556 8.718 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.549 -3.606 9.968 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.341 -2.937 8.332 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.380 -2.195 6.340 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.033 -2.677 6.793 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.354 -1.147 7.399 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.595 -1.943 12.323 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.590 -2.018 13.387 1.00 0.00 C ATOM 1049 C LEU B 64 -29.075 -0.625 13.777 1.00 0.00 C ATOM 1050 O LEU B 64 -30.250 -0.431 14.092 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.007 -2.728 14.610 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.094 -4.255 14.604 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.246 -4.842 15.722 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.541 -4.706 14.736 1.00 0.00 C ATOM 0 H LEU B 64 -26.654 -2.216 12.606 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.441 -2.589 13.015 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.959 -2.444 14.705 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.519 -2.358 15.498 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.706 -4.619 13.653 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.320 -5.929 15.702 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.206 -4.547 15.583 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.603 -4.471 16.683 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.585 -5.795 14.730 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.955 -4.331 15.672 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.122 -4.315 13.900 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.164 0.342 13.752 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.499 1.718 14.100 1.00 0.00 C ATOM 1068 C VAL B 65 -29.597 2.262 13.193 1.00 0.00 C ATOM 1069 O VAL B 65 -30.562 2.865 13.664 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.267 2.637 14.005 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.648 4.076 14.316 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.168 2.154 14.940 1.00 0.00 C ATOM 0 H VAL B 65 -27.188 0.198 13.494 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.855 1.706 15.130 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.886 2.600 12.984 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.764 4.710 14.244 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.398 4.416 13.602 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.055 4.135 15.325 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.305 2.815 14.860 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.535 2.159 15.966 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.875 1.141 14.665 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.443 2.044 11.892 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.423 2.512 10.919 1.00 0.00 C ATOM 1084 C ILE B 66 -31.760 1.800 11.099 1.00 0.00 C ATOM 1085 O ILE B 66 -32.793 2.439 11.297 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.930 2.296 9.476 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.559 2.946 9.279 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.936 2.859 8.483 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.476 1.966 8.889 1.00 0.00 C ATOM 0 H ILE B 66 -28.650 1.547 11.487 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.556 3.580 11.093 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.832 1.225 9.298 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.637 3.714 8.509 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.268 3.448 10.202 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.574 2.699 7.468 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.894 2.355 8.610 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.062 3.927 8.659 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.532 2.497 8.766 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.370 1.212 9.669 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.744 1.482 7.950 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.731 0.473 11.031 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.940 -0.327 11.190 1.00 0.00 C ATOM 1103 C VAL B 67 -33.654 0.010 12.494 1.00 0.00 C ATOM 1104 O VAL B 67 -34.844 0.323 12.499 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.623 -1.834 11.166 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.906 -2.650 11.203 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.795 -2.184 9.939 1.00 0.00 C ATOM 0 H VAL B 67 -30.884 -0.071 10.867 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.591 -0.087 10.350 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.039 -2.079 12.053 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.662 -3.712 11.185 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.458 -2.419 12.114 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.519 -2.404 10.336 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.580 -3.253 9.938 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.352 -1.925 9.038 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.859 -1.626 9.960 1.00 0.00 H new