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= 1.31 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 -12.195 -9.521 1.293 1.00 0.00 N ATOM 142 CA PRO A 51 -12.453 -9.976 2.662 1.00 0.00 C ATOM 143 C PRO A 51 -13.111 -8.899 3.517 1.00 0.00 C ATOM 144 O PRO A 51 -14.119 -9.149 4.181 1.00 0.00 O ATOM 145 CB PRO A 51 -11.056 -10.303 3.196 1.00 0.00 C ATOM 146 CG PRO A 51 -10.134 -9.454 2.389 1.00 0.00 C ATOM 147 CD PRO A 51 -10.758 -9.346 1.025 1.00 0.00 C ATOM 0 HA PRO A 51 -13.143 -10.820 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.975 -10.076 4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.825 -11.362 3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.013 -8.470 2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.142 -9.902 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.550 -8.381 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.379 -10.112 0.348 1.00 0.00 H new ATOM 155 N LEU A 52 -12.537 -7.702 3.497 1.00 0.00 N ATOM 156 CA LEU A 52 -13.069 -6.585 4.271 1.00 0.00 C ATOM 157 C LEU A 52 -14.549 -6.371 3.971 1.00 0.00 C ATOM 158 O LEU A 52 -15.405 -6.598 4.826 1.00 0.00 O ATOM 159 CB LEU A 52 -12.285 -5.308 3.965 1.00 0.00 C ATOM 160 CG LEU A 52 -12.471 -4.154 4.951 1.00 0.00 C ATOM 161 CD1 LEU A 52 -11.847 -4.495 6.296 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.870 -2.873 4.392 1.00 0.00 C ATOM 0 H LEU A 52 -11.703 -7.479 2.954 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.963 -6.825 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.225 -5.557 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.569 -4.960 2.972 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.539 -3.996 5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.989 -3.662 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.323 -5.387 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.781 -4.680 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.012 -2.062 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.804 -3.018 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.363 -2.619 3.453 1.00 0.00 H new ATOM 174 N ILE A 53 -14.843 -5.934 2.751 1.00 0.00 N ATOM 175 CA ILE A 53 -16.220 -5.693 2.338 1.00 0.00 C ATOM 176 C ILE A 53 -17.103 -6.899 2.638 1.00 0.00 C ATOM 177 O ILE A 53 -18.202 -6.758 3.174 1.00 0.00 O ATOM 178 CB ILE A 53 -16.308 -5.368 0.835 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.367 -4.213 0.484 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.739 -5.027 0.449 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.440 -3.793 -0.967 1.00 0.00 C ATOM 0 H ILE A 53 -14.146 -5.740 2.032 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.575 -4.835 2.909 1.00 0.00 H new ATOM 0 HB ILE A 53 -16.000 -6.248 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.606 -3.356 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.343 -4.505 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.784 -4.800 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.387 -5.876 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -18.073 -4.160 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.747 -2.971 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -15.172 -4.636 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -16.454 -3.469 -1.201 1.00 0.00 H new ATOM 193 N ALA A 54 -16.614 -8.085 2.291 1.00 0.00 N ATOM 194 CA ALA A 54 -17.358 -9.316 2.527 1.00 0.00 C ATOM 195 C ALA A 54 -17.889 -9.372 3.955 1.00 0.00 C ATOM 196 O ALA A 54 -19.099 -9.406 4.177 1.00 0.00 O ATOM 197 CB ALA A 54 -16.480 -10.526 2.240 1.00 0.00 C ATOM 0 H ALA A 54 -15.706 -8.219 1.846 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.212 -9.331 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.048 -11.439 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.154 -10.501 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.608 -10.506 2.894 1.00 0.00 H new ATOM 203 N ALA A 55 -16.976 -9.382 4.921 1.00 0.00 N ATOM 204 CA ALA A 55 -17.353 -9.432 6.328 1.00 0.00 C ATOM 205 C ALA A 55 -18.394 -8.367 6.656 1.00 0.00 C ATOM 206 O ALA A 55 -19.320 -8.608 7.429 1.00 0.00 O ATOM 207 CB ALA A 55 -16.124 -9.261 7.210 1.00 0.00 C ATOM 0 H ALA A 55 -15.970 -9.356 4.755 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.796 -10.408 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.420 -9.300 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.414 -10.061 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.657 -8.299 7.001 1.00 0.00 H new ATOM 213 N GLY A 56 -18.235 -7.188 6.063 1.00 0.00 N ATOM 214 CA GLY A 56 -19.169 -6.104 6.305 1.00 0.00 C ATOM 215 C GLY A 56 -20.595 -6.477 5.953 1.00 0.00 C ATOM 216 O GLY A 56 -21.493 -6.387 6.790 1.00 0.00 O ATOM 0 H GLY A 56 -17.476 -6.964 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.121 -5.815 7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.870 -5.234 5.721 1.00 0.00 H new ATOM 220 N VAL A 57 -20.805 -6.897 4.709 1.00 0.00 N ATOM 221 CA VAL A 57 -22.133 -7.285 4.248 1.00 0.00 C ATOM 222 C VAL A 57 -22.653 -8.491 5.022 1.00 0.00 C ATOM 223 O VAL A 57 -23.843 -8.579 5.326 1.00 0.00 O ATOM 224 CB VAL A 57 -22.129 -7.617 2.743 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.548 -7.838 2.242 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.443 -6.511 1.956 1.00 0.00 C ATOM 0 H VAL A 57 -20.073 -6.977 4.003 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.791 -6.434 4.424 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.568 -8.540 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.526 -8.071 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.001 -8.667 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.136 -6.934 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.449 -6.762 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.974 -5.572 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.413 -6.406 2.298 1.00 0.00 H new ATOM 236 N ILE A 58 -21.755 -9.417 5.337 1.00 0.00 N ATOM 237 CA ILE A 58 -22.123 -10.618 6.077 1.00 0.00 C ATOM 238 C ILE A 58 -22.636 -10.269 7.470 1.00 0.00 C ATOM 239 O ILE A 58 -23.686 -10.749 7.894 1.00 0.00 O ATOM 240 CB ILE A 58 -20.932 -11.586 6.209 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.551 -12.149 4.838 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.269 -12.711 7.175 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.336 -13.049 4.872 1.00 0.00 C ATOM 0 H ILE A 58 -20.767 -9.359 5.091 1.00 0.00 H new ATOM 0 HA ILE A 58 -22.916 -11.106 5.511 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.078 -11.037 6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.396 -12.708 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.361 -11.322 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.418 -13.387 7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.497 -12.293 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.134 -13.261 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.124 -13.412 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.478 -12.489 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.529 -13.896 5.530 1.00 0.00 H new ATOM 255 N GLY A 59 -21.888 -9.427 8.177 1.00 0.00 N ATOM 256 CA GLY A 59 -22.284 -9.026 9.515 1.00 0.00 C ATOM 257 C GLY A 59 -23.658 -8.387 9.545 1.00 0.00 C ATOM 258 O GLY A 59 -24.524 -8.795 10.318 1.00 0.00 O ATOM 0 H GLY A 59 -21.015 -9.015 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.278 -9.898 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.551 -8.324 9.913 1.00 0.00 H new ATOM 262 N GLY A 60 -23.860 -7.380 8.701 1.00 0.00 N ATOM 263 CA GLY A 60 -25.140 -6.698 8.652 1.00 0.00 C ATOM 264 C GLY A 60 -26.291 -7.645 8.379 1.00 0.00 C ATOM 265 O GLY A 60 -27.362 -7.521 8.975 1.00 0.00 O ATOM 0 H GLY A 60 -23.160 -7.024 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.312 -6.186 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.111 -5.933 7.876 1.00 0.00 H new ATOM 269 N LEU A 61 -26.073 -8.594 7.475 1.00 0.00 N ATOM 270 CA LEU A 61 -27.102 -9.566 7.122 1.00 0.00 C ATOM 271 C LEU A 61 -27.365 -10.524 8.279 1.00 0.00 C ATOM 272 O LEU A 61 -28.476 -10.587 8.806 1.00 0.00 O ATOM 273 CB LEU A 61 -26.683 -10.353 5.879 1.00 0.00 C ATOM 274 CG LEU A 61 -26.795 -9.611 4.546 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.163 -10.425 3.428 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.251 -9.303 4.228 1.00 0.00 C ATOM 0 H LEU A 61 -25.193 -8.711 6.973 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.022 -9.023 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.649 -10.674 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.292 -11.255 5.822 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.255 -8.668 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.252 -9.882 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.110 -10.594 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.674 -11.384 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.312 -8.775 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.814 -10.234 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.672 -8.679 5.017 1.00 0.00 H new ATOM 288 N PHE A 62 -26.336 -11.267 8.672 1.00 0.00 N ATOM 289 CA PHE A 62 -26.455 -12.221 9.768 1.00 0.00 C ATOM 290 C PHE A 62 -27.053 -11.557 11.005 1.00 0.00 C ATOM 291 O PHE A 62 -28.025 -12.050 11.578 1.00 0.00 O ATOM 292 CB PHE A 62 -25.087 -12.816 10.106 1.00 0.00 C ATOM 293 CG PHE A 62 -25.133 -13.840 11.204 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.124 -14.808 11.226 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.184 -13.835 12.214 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.169 -15.750 12.236 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.224 -14.775 13.226 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.217 -15.735 13.236 1.00 0.00 C ATOM 0 H PHE A 62 -25.410 -11.227 8.247 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.122 -13.021 9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.668 -13.274 9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.412 -12.012 10.398 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.870 -14.827 10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.404 -13.088 12.210 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.948 -16.498 12.243 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.480 -14.759 14.008 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.249 -16.472 14.024 1.00 0.00 H new ATOM 308 N ILE A 63 -26.464 -10.437 11.410 1.00 0.00 N ATOM 309 CA ILE A 63 -26.938 -9.705 12.578 1.00 0.00 C ATOM 310 C ILE A 63 -28.427 -9.392 12.464 1.00 0.00 C ATOM 311 O ILE A 63 -29.184 -9.569 13.419 1.00 0.00 O ATOM 312 CB ILE A 63 -26.162 -8.389 12.770 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.724 -8.678 13.206 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.863 -7.505 13.791 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.622 -9.282 14.589 1.00 0.00 C ATOM 0 H ILE A 63 -25.658 -10.017 10.947 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.769 -10.347 13.443 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.133 -7.859 11.818 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.264 -9.356 12.487 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.152 -7.751 13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.303 -6.579 13.916 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.870 -7.276 13.443 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.919 -8.027 14.746 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.574 -9.460 14.832 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -25.052 -8.596 15.318 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.166 -10.226 14.615 1.00 0.00 H new ATOM 327 N LEU A 64 -28.840 -8.929 11.290 1.00 0.00 N ATOM 328 CA LEU A 64 -30.239 -8.593 11.049 1.00 0.00 C ATOM 329 C LEU A 64 -31.115 -9.842 11.096 1.00 0.00 C ATOM 330 O LEU A 64 -32.260 -9.793 11.546 1.00 0.00 O ATOM 331 CB LEU A 64 -30.392 -7.900 9.694 1.00 0.00 C ATOM 332 CG LEU A 64 -29.949 -6.438 9.635 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.824 -5.976 8.191 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.924 -5.553 10.397 1.00 0.00 C ATOM 0 H LEU A 64 -28.226 -8.777 10.490 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.564 -7.913 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.822 -8.462 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.439 -7.954 9.397 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.970 -6.356 10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.508 -4.933 8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.086 -6.590 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.789 -6.073 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.592 -4.516 10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.916 -5.640 9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.963 -5.868 11.440 1.00 0.00 H new ATOM 346 N VAL A 65 -30.567 -10.960 10.631 1.00 0.00 N ATOM 347 CA VAL A 65 -31.297 -12.222 10.623 1.00 0.00 C ATOM 348 C VAL A 65 -31.725 -12.619 12.031 1.00 0.00 C ATOM 349 O VAL A 65 -32.874 -12.998 12.258 1.00 0.00 O ATOM 350 CB VAL A 65 -30.448 -13.357 10.017 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.208 -14.674 10.062 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.041 -13.014 8.592 1.00 0.00 C ATOM 0 H VAL A 65 -29.621 -11.018 10.255 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.183 -12.071 10.007 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.542 -13.468 10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.593 -15.464 9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.444 -14.923 11.097 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.132 -14.580 9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.442 -13.826 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.934 -12.875 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.455 -12.095 8.592 1.00 0.00 H new ATOM 362 N ILE A 66 -30.793 -12.528 12.974 1.00 0.00 N ATOM 363 CA ILE A 66 -31.075 -12.876 14.361 1.00 0.00 C ATOM 364 C ILE A 66 -32.091 -11.917 14.973 1.00 0.00 C ATOM 365 O ILE A 66 -33.138 -12.337 15.465 1.00 0.00 O ATOM 366 CB ILE A 66 -29.794 -12.863 15.216 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.728 -13.766 14.592 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.102 -13.304 16.639 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.452 -13.037 14.234 1.00 0.00 C ATOM 0 H ILE A 66 -29.837 -12.216 12.803 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.488 -13.885 14.356 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.407 -11.844 15.248 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.493 -14.572 15.288 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.136 -14.229 13.694 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.187 -13.290 17.231 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.830 -12.624 17.081 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.510 -14.315 16.626 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.742 -13.739 13.797 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.673 -12.249 13.514 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.020 -12.597 15.133 1.00 0.00 H new ATOM 381 N VAL A 67 -31.774 -10.627 14.938 1.00 0.00 N ATOM 382 CA VAL A 67 -32.660 -9.607 15.486 1.00 0.00 C ATOM 383 C VAL A 67 -34.057 -9.711 14.883 1.00 0.00 C ATOM 384 O VAL A 67 -35.050 -9.802 15.604 1.00 0.00 O ATOM 385 CB VAL A 67 -32.109 -8.191 15.236 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.963 -7.152 15.946 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.658 -8.097 15.684 1.00 0.00 C ATOM 0 H VAL A 67 -30.910 -10.263 14.536 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.717 -9.782 16.560 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.149 -7.989 14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.558 -6.158 15.758 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.985 -7.204 15.572 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.959 -7.348 17.018 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.285 -7.090 15.500 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.591 -8.320 16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.057 -8.814 15.125 1.00 0.00 H new ATOM 397 N GLY A 68 -34.125 -9.697 13.555 1.00 0.00 N ATOM 398 CA GLY A 68 -35.405 -9.790 12.877 1.00 0.00 C ATOM 399 C GLY A 68 -36.227 -10.972 13.351 1.00 0.00 C ATOM 400 O GLY A 68 -37.361 -10.808 13.803 1.00 0.00 O ATOM 0 H GLY A 68 -33.317 -9.623 12.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.967 -8.871 13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.239 -9.874 11.803 1.00 0.00 H new ATOM 404 N LEU A 69 -35.656 -12.167 13.247 1.00 0.00 N ATOM 405 CA LEU A 69 -36.344 -13.383 13.667 1.00 0.00 C ATOM 406 C LEU A 69 -36.735 -13.306 15.140 1.00 0.00 C ATOM 407 O LEU A 69 -37.849 -13.672 15.518 1.00 0.00 O ATOM 408 CB LEU A 69 -35.456 -14.605 13.427 1.00 0.00 C ATOM 409 CG LEU A 69 -35.324 -15.063 11.974 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.413 -16.277 11.878 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.693 -15.372 11.386 1.00 0.00 C ATOM 0 H LEU A 69 -34.718 -12.320 12.876 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.253 -13.480 13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.459 -14.386 13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.848 -15.435 14.015 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.878 -14.253 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.331 -16.589 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.424 -16.021 12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.830 -17.092 12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.580 -15.696 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.167 -16.164 11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.314 -14.477 11.420 1.00 0.00 H new ATOM 423 N THR A 70 -35.812 -12.827 15.968 1.00 0.00 N ATOM 424 CA THR A 70 -36.060 -12.701 17.398 1.00 0.00 C ATOM 425 C THR A 70 -37.356 -11.944 17.667 1.00 0.00 C ATOM 426 O THR A 70 -38.100 -12.276 18.590 1.00 0.00 O ATOM 427 CB THR A 70 -34.900 -11.978 18.108 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.714 -12.779 18.048 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.249 -11.689 19.560 1.00 0.00 C ATOM 0 H THR A 70 -34.885 -12.520 15.672 1.00 0.00 H new ATOM 0 HA THR A 70 -36.144 -13.713 17.794 1.00 0.00 H new ATOM 0 HB THR A 70 -34.725 -11.031 17.598 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.350 -12.757 17.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.414 -11.178 20.040 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.135 -11.055 19.602 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.448 -12.626 20.080 1.00 0.00 H new ATOM 437 N PHE A 71 -37.619 -10.925 16.856 1.00 0.00 N ATOM 438 CA PHE A 71 -38.826 -10.120 17.007 1.00 0.00 C ATOM 439 C PHE A 71 -40.063 -10.913 16.597 1.00 0.00 C ATOM 440 O PHE A 71 -41.039 -10.989 17.343 1.00 0.00 O ATOM 441 CB PHE A 71 -38.722 -8.845 16.167 1.00 0.00 C ATOM 442 CG PHE A 71 -39.795 -7.838 16.471 1.00 0.00 C ATOM 443 CD1 PHE A 71 -41.089 -8.026 16.011 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.510 -6.705 17.216 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.078 -7.101 16.288 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.495 -5.777 17.496 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.781 -5.976 17.032 1.00 0.00 C ATOM 0 H PHE A 71 -37.013 -10.637 16.088 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.922 -9.848 18.058 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.747 -8.387 16.335 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.772 -9.110 15.111 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.327 -8.905 15.430 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.507 -6.545 17.582 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -43.082 -7.258 15.923 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.260 -4.897 18.077 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.553 -5.253 17.251 1.00 0.00 H new ATOM 457 N ALA A 72 -40.015 -11.500 15.406 1.00 0.00 N ATOM 458 CA ALA A 72 -41.130 -12.288 14.897 1.00 0.00 C ATOM 459 C ALA A 72 -41.414 -13.485 15.799 1.00 0.00 C ATOM 460 O ALA A 72 -42.549 -13.952 15.888 1.00 0.00 O ATOM 461 CB ALA A 72 -40.844 -12.752 13.476 1.00 0.00 C ATOM 0 H ALA A 72 -39.215 -11.445 14.775 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.016 -11.654 14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.685 -13.339 13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.699 -11.884 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.943 -13.365 13.468 1.00 0.00 H new ATOM 467 N VAL A 73 -40.375 -13.977 16.466 1.00 0.00 N ATOM 468 CA VAL A 73 -40.512 -15.119 17.362 1.00 0.00 C ATOM 469 C VAL A 73 -41.048 -14.689 18.723 1.00 0.00 C ATOM 470 O VAL A 73 -41.945 -15.323 19.277 1.00 0.00 O ATOM 471 CB VAL A 73 -39.168 -15.844 17.557 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.314 -16.979 18.559 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.644 -16.362 16.226 1.00 0.00 C ATOM 0 H VAL A 73 -39.428 -13.602 16.403 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.221 -15.803 16.896 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.445 -15.131 17.954 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.354 -17.480 18.684 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.641 -16.578 19.518 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.051 -17.694 18.194 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.693 -16.872 16.383 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.364 -17.060 15.798 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.499 -15.526 15.542 1.00 0.00 H new ATOM 483 N TYR A 74 -40.491 -13.606 19.255 1.00 0.00 N ATOM 484 CA TYR A 74 -40.911 -13.091 20.553 1.00 0.00 C ATOM 485 C TYR A 74 -42.411 -12.811 20.569 1.00 0.00 C ATOM 486 O TYR A 74 -43.101 -13.117 21.541 1.00 0.00 O ATOM 487 CB TYR A 74 -40.139 -11.815 20.893 1.00 0.00 C ATOM 488 CG TYR A 74 -40.243 -11.414 22.347 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.334 -11.888 23.285 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.250 -10.562 22.783 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.426 -11.525 24.615 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.348 -10.192 24.110 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.434 -10.676 25.022 1.00 0.00 C ATOM 494 OH TYR A 74 -40.529 -10.311 26.346 1.00 0.00 O ATOM 0 H TYR A 74 -39.748 -13.068 18.808 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.694 -13.850 21.304 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.089 -11.957 20.638 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.510 -10.999 20.272 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.542 -12.551 22.969 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.969 -10.182 22.072 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -38.713 -11.904 25.332 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -42.136 -9.527 24.432 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.293 -9.708 26.465 1.00 0.00 H new ATOM 504 N VAL A 75 -42.908 -12.227 19.483 1.00 0.00 N ATOM 505 CA VAL A 75 -44.326 -11.907 19.369 1.00 0.00 C ATOM 506 C VAL A 75 -45.174 -13.173 19.321 1.00 0.00 C ATOM 507 O VAL A 75 -46.194 -13.276 20.003 1.00 0.00 O ATOM 508 CB VAL A 75 -44.612 -11.063 18.113 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.108 -10.851 17.940 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.882 -9.731 18.189 1.00 0.00 C ATOM 0 H VAL A 75 -42.350 -11.966 18.670 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.591 -11.329 20.254 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.243 -11.604 17.242 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.290 -10.253 17.047 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.603 -11.817 17.836 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.505 -10.332 18.812 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.095 -9.148 17.293 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.218 -9.182 19.069 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.809 -9.908 18.260 1.00 0.00 H new ATOM 520 N ARG A 76 -44.745 -14.135 18.511 1.00 0.00 N ATOM 521 CA ARG A 76 -45.465 -15.395 18.373 1.00 0.00 C ATOM 522 C ARG A 76 -45.732 -16.021 19.739 1.00 0.00 C ATOM 523 O ARG A 76 -46.807 -16.568 19.983 1.00 0.00 O ATOM 524 CB ARG A 76 -44.670 -16.369 17.501 1.00 0.00 C ATOM 525 CG ARG A 76 -44.621 -15.971 16.034 1.00 0.00 C ATOM 526 CD ARG A 76 -45.439 -16.919 15.172 1.00 0.00 C ATOM 527 NE ARG A 76 -44.662 -18.078 14.743 1.00 0.00 N ATOM 528 CZ ARG A 76 -45.043 -18.900 13.772 1.00 0.00 C ATOM 529 NH1 ARG A 76 -46.185 -18.691 13.132 1.00 0.00 N ATOM 530 NH2 ARG A 76 -44.280 -19.934 13.439 1.00 0.00 N ATOM 0 H ARG A 76 -43.902 -14.066 17.940 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.422 -15.187 17.894 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.652 -16.439 17.884 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.111 -17.362 17.585 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -44.999 -14.955 15.919 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.586 -15.967 15.691 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -46.312 -17.255 15.731 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -45.808 -16.385 14.296 1.00 0.00 H new ATOM 0 HE ARG A 76 -43.778 -18.267 15.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.774 -17.897 13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -46.475 -19.324 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -43.401 -20.098 13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -44.573 -20.565 12.693 1.00 0.00 H new ATOM 544 N ARG A 77 -44.745 -15.938 20.625 1.00 0.00 N ATOM 545 CA ARG A 77 -44.872 -16.498 21.965 1.00 0.00 C ATOM 546 C ARG A 77 -46.139 -15.991 22.648 1.00 0.00 C ATOM 547 O ARG A 77 -46.676 -16.640 23.546 1.00 0.00 O ATOM 548 CB ARG A 77 -43.647 -16.140 22.809 1.00 0.00 C ATOM 549 CG ARG A 77 -42.408 -16.947 22.458 1.00 0.00 C ATOM 550 CD ARG A 77 -41.151 -16.318 23.036 1.00 0.00 C ATOM 551 NE ARG A 77 -40.240 -17.319 23.585 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.493 -18.019 24.685 1.00 0.00 C ATOM 553 NH1 ARG A 77 -41.624 -17.827 25.351 1.00 0.00 N ATOM 554 NH2 ARG A 77 -39.615 -18.912 25.122 1.00 0.00 N ATOM 0 H ARG A 77 -43.849 -15.488 20.439 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.938 -17.582 21.874 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.427 -15.080 22.683 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.884 -16.294 23.862 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.515 -17.963 22.837 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.315 -17.019 21.374 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.640 -15.750 22.259 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.426 -15.611 23.818 1.00 0.00 H new ATOM 0 HE ARG A 77 -39.361 -17.490 23.097 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -42.301 -17.141 25.019 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -41.816 -18.366 26.196 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -38.744 -19.062 24.613 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.811 -19.449 25.967 1.00 0.00 H new ATOM 568 N LYS A 78 -46.612 -14.827 22.217 1.00 0.00 N ATOM 569 CA LYS A 78 -47.816 -14.232 22.784 1.00 0.00 C ATOM 570 C LYS A 78 -49.067 -14.781 22.105 1.00 0.00 C ATOM 571 O LYS A 78 -50.006 -15.215 22.771 1.00 0.00 O ATOM 572 CB LYS A 78 -47.773 -12.709 22.643 1.00 0.00 C ATOM 573 CG LYS A 78 -47.629 -11.979 23.967 1.00 0.00 C ATOM 574 CD LYS A 78 -47.068 -10.580 23.774 1.00 0.00 C ATOM 575 CE LYS A 78 -45.825 -10.356 24.623 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.165 -10.130 26.055 1.00 0.00 N ATOM 0 H LYS A 78 -46.179 -14.276 21.476 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.855 -14.492 23.842 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.940 -12.436 21.995 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.685 -12.372 22.149 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.601 -11.918 24.457 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -46.974 -12.547 24.627 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -46.824 -10.426 22.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -47.827 -9.843 24.036 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.167 -11.221 24.538 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.274 -9.497 24.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.292 -9.982 26.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -46.773 -9.290 26.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.668 -10.960 26.427 1.00 0.00 H new ATOM 875 N LEU B 52 -10.773 -7.683 8.900 1.00 0.00 N ATOM 876 CA LEU B 52 -11.877 -8.612 8.684 1.00 0.00 C ATOM 877 C LEU B 52 -12.912 -8.496 9.798 1.00 0.00 C ATOM 878 O LEU B 52 -14.030 -8.032 9.574 1.00 0.00 O ATOM 879 CB LEU B 52 -11.354 -10.047 8.605 1.00 0.00 C ATOM 880 CG LEU B 52 -12.279 -11.063 7.934 1.00 0.00 C ATOM 881 CD1 LEU B 52 -12.389 -10.781 6.444 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.779 -12.480 8.175 1.00 0.00 C ATOM 0 HA LEU B 52 -12.357 -8.355 7.740 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.406 -10.038 8.067 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -11.142 -10.391 9.617 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.271 -10.969 8.375 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.051 -11.514 5.983 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -12.793 -9.780 6.292 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.401 -10.846 5.987 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.449 -13.190 7.690 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.776 -12.587 7.761 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.753 -12.679 9.246 1.00 0.00 H new ATOM 894 N ILE B 53 -12.530 -8.918 10.999 1.00 0.00 N ATOM 895 CA ILE B 53 -13.424 -8.858 12.149 1.00 0.00 C ATOM 896 C ILE B 53 -13.984 -7.453 12.337 1.00 0.00 C ATOM 897 O ILE B 53 -15.179 -7.276 12.572 1.00 0.00 O ATOM 898 CB ILE B 53 -12.708 -9.291 13.442 1.00 0.00 C ATOM 899 CG1 ILE B 53 -12.032 -10.649 13.246 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.693 -9.346 14.600 1.00 0.00 C ATOM 901 CD1 ILE B 53 -11.367 -11.180 14.497 1.00 0.00 C ATOM 0 H ILE B 53 -11.608 -9.305 11.201 1.00 0.00 H new ATOM 0 HA ILE B 53 -14.243 -9.549 11.948 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.940 -8.555 13.679 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.775 -11.370 12.906 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -11.286 -10.564 12.456 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -13.172 -9.654 15.507 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -14.133 -8.360 14.751 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -14.481 -10.064 14.373 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.909 -12.146 14.284 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -10.600 -10.479 14.827 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -12.113 -11.298 15.283 1.00 0.00 H new ATOM 913 N ALA B 54 -13.112 -6.455 12.232 1.00 0.00 N ATOM 914 CA ALA B 54 -13.520 -5.064 12.386 1.00 0.00 C ATOM 915 C ALA B 54 -14.750 -4.755 11.538 1.00 0.00 C ATOM 916 O ALA B 54 -15.803 -4.395 12.063 1.00 0.00 O ATOM 917 CB ALA B 54 -12.374 -4.134 12.017 1.00 0.00 C ATOM 0 H ALA B 54 -12.118 -6.584 12.041 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.782 -4.902 13.431 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.693 -3.099 12.137 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.523 -4.329 12.669 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.084 -4.307 10.981 1.00 0.00 H new ATOM 923 N ALA B 55 -14.607 -4.897 10.225 1.00 0.00 N ATOM 924 CA ALA B 55 -15.707 -4.635 9.305 1.00 0.00 C ATOM 925 C ALA B 55 -16.970 -5.375 9.732 1.00 0.00 C ATOM 926 O ALA B 55 -18.073 -4.835 9.659 1.00 0.00 O ATOM 927 CB ALA B 55 -15.315 -5.029 7.888 1.00 0.00 C ATOM 0 H ALA B 55 -13.741 -5.192 9.774 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.920 -3.566 9.328 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.146 -4.828 7.211 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.445 -4.450 7.577 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.073 -6.091 7.860 1.00 0.00 H new ATOM 933 N GLY B 56 -16.800 -6.616 10.179 1.00 0.00 N ATOM 934 CA GLY B 56 -17.935 -7.410 10.611 1.00 0.00 C ATOM 935 C GLY B 56 -18.737 -6.730 11.703 1.00 0.00 C ATOM 936 O GLY B 56 -19.943 -6.525 11.562 1.00 0.00 O ATOM 0 H GLY B 56 -15.897 -7.085 10.249 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.583 -7.606 9.757 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.582 -8.376 10.972 1.00 0.00 H new ATOM 940 N VAL B 57 -18.067 -6.381 12.796 1.00 0.00 N ATOM 941 CA VAL B 57 -18.725 -5.720 13.917 1.00 0.00 C ATOM 942 C VAL B 57 -19.282 -4.363 13.505 1.00 0.00 C ATOM 943 O VAL B 57 -20.367 -3.970 13.935 1.00 0.00 O ATOM 944 CB VAL B 57 -17.758 -5.528 15.101 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.505 -5.017 16.323 1.00 0.00 C ATOM 946 CG2 VAL B 57 -17.033 -6.829 15.413 1.00 0.00 C ATOM 0 H VAL B 57 -17.069 -6.545 12.929 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.546 -6.366 14.228 1.00 0.00 H new ATOM 0 HB VAL B 57 -17.013 -4.782 14.823 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.806 -4.887 17.149 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.973 -4.060 16.090 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.273 -5.736 16.607 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.354 -6.675 16.252 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.761 -7.598 15.672 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.464 -7.147 14.539 1.00 0.00 H new ATOM 956 N ILE B 58 -18.534 -3.651 12.669 1.00 0.00 N ATOM 957 CA ILE B 58 -18.955 -2.337 12.198 1.00 0.00 C ATOM 958 C ILE B 58 -20.255 -2.428 11.406 1.00 0.00 C ATOM 959 O ILE B 58 -21.192 -1.666 11.642 1.00 0.00 O ATOM 960 CB ILE B 58 -17.875 -1.683 11.315 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.640 -1.341 12.152 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.426 -0.436 10.640 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.498 -0.773 11.339 1.00 0.00 C ATOM 0 H ILE B 58 -17.634 -3.962 12.304 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.113 -1.720 13.083 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.581 -2.392 10.540 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.920 -0.622 12.922 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.298 -2.240 12.665 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.651 0.015 10.020 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.278 -0.706 10.017 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.744 0.278 11.399 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.657 -0.554 11.997 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.191 -1.499 10.586 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.822 0.144 10.847 1.00 0.00 H new ATOM 975 N GLY B 59 -20.306 -3.368 10.467 1.00 0.00 N ATOM 976 CA GLY B 59 -21.497 -3.543 9.656 1.00 0.00 C ATOM 977 C GLY B 59 -22.731 -3.818 10.492 1.00 0.00 C ATOM 978 O GLY B 59 -23.759 -3.162 10.328 1.00 0.00 O ATOM 0 H GLY B 59 -19.544 -4.011 10.253 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.660 -2.647 9.057 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.342 -4.368 8.961 1.00 0.00 H new ATOM 982 N GLY B 60 -22.631 -4.794 11.389 1.00 0.00 N ATOM 983 CA GLY B 60 -23.756 -5.140 12.238 1.00 0.00 C ATOM 984 C GLY B 60 -24.272 -3.954 13.029 1.00 0.00 C ATOM 985 O GLY B 60 -25.482 -3.773 13.173 1.00 0.00 O ATOM 0 H GLY B 60 -21.791 -5.351 11.543 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.562 -5.541 11.623 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.458 -5.930 12.927 1.00 0.00 H new ATOM 989 N LEU B 61 -23.353 -3.144 13.544 1.00 0.00 N ATOM 990 CA LEU B 61 -23.721 -1.969 14.326 1.00 0.00 C ATOM 991 C LEU B 61 -24.359 -0.903 13.441 1.00 0.00 C ATOM 992 O LEU B 61 -25.517 -0.533 13.635 1.00 0.00 O ATOM 993 CB LEU B 61 -22.490 -1.394 15.029 1.00 0.00 C ATOM 994 CG LEU B 61 -22.089 -2.071 16.341 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.752 -1.537 16.830 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.165 -1.868 17.397 1.00 0.00 C ATOM 0 H LEU B 61 -22.348 -3.280 13.434 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.450 -2.276 15.076 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.645 -1.449 14.342 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.671 -0.338 15.229 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.985 -3.141 16.159 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.483 -2.030 17.764 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.985 -1.735 16.081 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.828 -0.462 16.996 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.862 -2.356 18.323 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.302 -0.802 17.577 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -24.103 -2.300 17.049 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.597 -0.416 12.468 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.088 0.607 11.552 1.00 0.00 C ATOM 1010 C PHE B 62 -25.423 0.193 10.940 1.00 0.00 C ATOM 1011 O PHE B 62 -26.404 0.934 11.006 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.064 0.863 10.444 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.478 1.940 9.482 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.025 3.126 9.945 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.320 1.767 8.117 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.408 4.119 9.062 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.700 2.756 7.230 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.244 3.934 7.703 1.00 0.00 C ATOM 0 H PHE B 62 -22.637 -0.713 12.293 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.237 1.526 12.119 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.112 1.138 10.897 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.899 -0.062 9.892 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.154 3.276 11.007 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.895 0.848 7.741 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.835 5.038 9.435 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.572 2.608 6.168 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.541 4.709 7.012 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.452 -0.995 10.346 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.666 -1.508 9.723 1.00 0.00 C ATOM 1030 C ILE B 63 -27.835 -1.493 10.702 1.00 0.00 C ATOM 1031 O ILE B 63 -28.951 -1.111 10.349 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.467 -2.943 9.199 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.493 -2.948 8.019 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.803 -3.548 8.794 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.025 -2.239 6.793 1.00 0.00 C ATOM 0 H ILE B 63 -24.649 -1.620 10.283 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.891 -0.851 8.883 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.042 -3.551 9.998 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.560 -2.475 8.326 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.256 -3.980 7.758 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.647 -4.562 8.426 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.467 -3.574 9.658 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.253 -2.942 8.008 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.282 -2.282 5.997 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.942 -2.726 6.460 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.235 -1.198 7.037 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.571 -1.911 11.935 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.600 -1.945 12.968 1.00 0.00 C ATOM 1049 C LEU B 64 -29.052 -0.534 13.333 1.00 0.00 C ATOM 1050 O LEU B 64 -30.226 -0.301 13.620 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.078 -2.663 14.214 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.160 -4.190 14.191 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.407 -4.782 15.373 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.611 -4.647 14.198 1.00 0.00 C ATOM 0 H LEU B 64 -26.653 -2.231 12.244 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.457 -2.491 12.574 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -27.037 -2.377 14.365 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.636 -2.302 15.078 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.693 -4.546 13.273 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.476 -5.869 15.341 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.360 -4.483 15.324 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.845 -4.418 16.303 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.650 -5.736 14.181 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -30.104 -4.280 15.098 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.121 -4.252 13.319 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.112 0.405 13.318 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.413 1.794 13.644 1.00 0.00 C ATOM 1068 C VAL B 65 -29.472 2.362 12.705 1.00 0.00 C ATOM 1069 O VAL B 65 -30.436 2.988 13.147 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.152 2.675 13.569 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.496 4.127 13.864 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.088 2.164 14.530 1.00 0.00 C ATOM 0 H VAL B 65 -27.135 0.229 13.083 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.794 1.803 14.665 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.751 2.621 12.557 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.592 4.734 13.806 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.221 4.485 13.133 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.922 4.204 14.865 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.204 2.798 14.464 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.476 2.187 15.548 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.821 1.141 14.267 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.287 2.137 11.409 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.227 2.625 10.408 1.00 0.00 C ATOM 1084 C ILE B 66 -31.591 1.961 10.565 1.00 0.00 C ATOM 1085 O ILE B 66 -32.608 2.636 10.723 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.709 2.376 8.979 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.316 2.985 8.805 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.677 2.951 7.956 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.255 1.972 8.434 1.00 0.00 C ATOM 0 H ILE B 66 -28.495 1.620 11.027 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.327 3.699 10.567 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.638 1.301 8.817 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.358 3.754 8.033 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.026 3.480 9.732 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.296 2.767 6.951 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.651 2.474 8.068 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.778 4.025 8.114 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.294 2.475 8.327 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.184 1.216 9.216 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.522 1.495 7.491 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.605 0.632 10.522 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.843 -0.124 10.662 1.00 0.00 C ATOM 1103 C VAL B 67 -33.576 0.254 11.944 1.00 0.00 C ATOM 1104 O VAL B 67 -34.753 0.610 11.916 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.576 -1.641 10.665 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.886 -2.414 10.657 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.710 -2.032 9.476 1.00 0.00 C ATOM 0 H VAL B 67 -30.772 0.057 10.391 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.466 0.127 9.803 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.037 -1.895 11.578 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.677 -3.484 10.659 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.466 -2.156 11.543 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.455 -2.157 9.763 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.531 -3.107 9.494 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.220 -1.764 8.551 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.757 -1.505 9.531 1.00 0.00 H new