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 91:sc= 1.2 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 -12.040 -9.842 2.069 1.00 0.00 N ATOM 142 CA PRO A 51 -12.560 -10.173 3.399 1.00 0.00 C ATOM 143 C PRO A 51 -13.243 -8.984 4.067 1.00 0.00 C ATOM 144 O PRO A 51 -14.302 -9.127 4.679 1.00 0.00 O ATOM 145 CB PRO A 51 -11.306 -10.577 4.179 1.00 0.00 C ATOM 146 CG PRO A 51 -10.189 -9.870 3.493 1.00 0.00 C ATOM 147 CD PRO A 51 -10.569 -9.809 2.039 1.00 0.00 C ATOM 0 HA PRO A 51 -13.322 -10.951 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.378 -10.281 5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.160 -11.657 4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.050 -8.869 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.248 -10.403 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.197 -8.901 1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.160 -10.651 1.481 1.00 0.00 H new ATOM 155 N LEU A 52 -12.631 -7.811 3.946 1.00 0.00 N ATOM 156 CA LEU A 52 -13.181 -6.597 4.538 1.00 0.00 C ATOM 157 C LEU A 52 -14.626 -6.382 4.097 1.00 0.00 C ATOM 158 O LEU A 52 -15.552 -6.491 4.901 1.00 0.00 O ATOM 159 CB LEU A 52 -12.331 -5.386 4.148 1.00 0.00 C ATOM 160 CG LEU A 52 -12.751 -4.047 4.756 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.583 -4.071 6.267 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.947 -2.909 4.146 1.00 0.00 C ATOM 0 H LEU A 52 -11.754 -7.675 3.443 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.165 -6.711 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.298 -5.585 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.347 -5.290 3.062 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.805 -3.882 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.887 -3.110 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.204 -4.861 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.538 -4.259 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.259 -1.964 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.886 -3.068 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.119 -2.878 3.070 1.00 0.00 H new ATOM 174 N ILE A 53 -14.809 -6.078 2.817 1.00 0.00 N ATOM 175 CA ILE A 53 -16.141 -5.852 2.270 1.00 0.00 C ATOM 176 C ILE A 53 -17.060 -7.035 2.554 1.00 0.00 C ATOM 177 O ILE A 53 -18.195 -6.860 2.997 1.00 0.00 O ATOM 178 CB ILE A 53 -16.091 -5.608 0.750 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.123 -4.469 0.425 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.482 -5.297 0.217 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.026 -4.160 -1.052 1.00 0.00 C ATOM 0 H ILE A 53 -14.052 -5.983 2.140 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.537 -4.962 2.760 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.731 -6.515 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.440 -3.571 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.132 -4.727 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.430 -5.127 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.146 -6.138 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.868 -4.403 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.322 -3.342 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.679 -5.044 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -16.007 -3.870 -1.428 1.00 0.00 H new ATOM 193 N ALA A 54 -16.562 -8.240 2.296 1.00 0.00 N ATOM 194 CA ALA A 54 -17.337 -9.453 2.528 1.00 0.00 C ATOM 195 C ALA A 54 -17.919 -9.471 3.937 1.00 0.00 C ATOM 196 O ALA A 54 -19.137 -9.483 4.115 1.00 0.00 O ATOM 197 CB ALA A 54 -16.473 -10.683 2.295 1.00 0.00 C ATOM 0 H ALA A 54 -15.625 -8.402 1.926 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.166 -9.466 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.064 -11.582 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.110 -10.683 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.625 -10.667 2.979 1.00 0.00 H new ATOM 203 N ALA A 55 -17.042 -9.475 4.935 1.00 0.00 N ATOM 204 CA ALA A 55 -17.469 -9.491 6.328 1.00 0.00 C ATOM 205 C ALA A 55 -18.491 -8.392 6.602 1.00 0.00 C ATOM 206 O ALA A 55 -19.389 -8.558 7.426 1.00 0.00 O ATOM 207 CB ALA A 55 -16.269 -9.339 7.251 1.00 0.00 C ATOM 0 H ALA A 55 -16.030 -9.467 4.804 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.945 -10.452 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.604 -9.353 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.574 -10.162 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.768 -8.393 7.044 1.00 0.00 H new ATOM 213 N GLY A 56 -18.347 -7.269 5.904 1.00 0.00 N ATOM 214 CA GLY A 56 -19.264 -6.160 6.087 1.00 0.00 C ATOM 215 C GLY A 56 -20.698 -6.534 5.768 1.00 0.00 C ATOM 216 O GLY A 56 -21.584 -6.406 6.613 1.00 0.00 O ATOM 0 H GLY A 56 -17.612 -7.108 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.204 -5.809 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.958 -5.331 5.450 1.00 0.00 H new ATOM 220 N VAL A 57 -20.929 -6.997 4.544 1.00 0.00 N ATOM 221 CA VAL A 57 -22.265 -7.391 4.114 1.00 0.00 C ATOM 222 C VAL A 57 -22.774 -8.580 4.922 1.00 0.00 C ATOM 223 O VAL A 57 -23.965 -8.676 5.222 1.00 0.00 O ATOM 224 CB VAL A 57 -22.290 -7.754 2.617 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.719 -7.975 2.145 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.610 -6.669 1.796 1.00 0.00 C ATOM 0 H VAL A 57 -20.207 -7.109 3.832 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.917 -6.534 4.283 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.739 -8.684 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.717 -8.230 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.168 -8.789 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.298 -7.064 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.636 -6.941 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.132 -5.723 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.574 -6.565 2.118 1.00 0.00 H new ATOM 236 N ILE A 58 -21.864 -9.483 5.272 1.00 0.00 N ATOM 237 CA ILE A 58 -22.221 -10.665 6.047 1.00 0.00 C ATOM 238 C ILE A 58 -22.679 -10.284 7.451 1.00 0.00 C ATOM 239 O ILE A 58 -23.725 -10.733 7.917 1.00 0.00 O ATOM 240 CB ILE A 58 -21.038 -11.646 6.154 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.671 -12.189 4.772 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.379 -12.785 7.103 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.456 -13.089 4.779 1.00 0.00 C ATOM 0 H ILE A 58 -20.875 -9.419 5.031 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.041 -11.153 5.520 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.177 -11.111 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.520 -12.742 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.489 -11.352 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.533 -13.470 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.596 -12.382 8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.252 -13.321 6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.255 -13.437 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.594 -12.534 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.642 -13.946 5.426 1.00 0.00 H new ATOM 255 N GLY A 59 -21.889 -9.450 8.120 1.00 0.00 N ATOM 256 CA GLY A 59 -22.231 -9.021 9.464 1.00 0.00 C ATOM 257 C GLY A 59 -23.598 -8.368 9.533 1.00 0.00 C ATOM 258 O GLY A 59 -24.436 -8.751 10.348 1.00 0.00 O ATOM 0 H GLY A 59 -21.018 -9.064 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.208 -9.881 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.478 -8.319 9.821 1.00 0.00 H new ATOM 262 N GLY A 60 -23.822 -7.376 8.677 1.00 0.00 N ATOM 263 CA GLY A 60 -25.097 -6.683 8.662 1.00 0.00 C ATOM 264 C GLY A 60 -26.265 -7.621 8.430 1.00 0.00 C ATOM 265 O GLY A 60 -27.304 -7.504 9.080 1.00 0.00 O ATOM 0 H GLY A 60 -23.143 -7.040 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.235 -6.163 9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.085 -5.923 7.881 1.00 0.00 H new ATOM 269 N LEU A 61 -26.096 -8.553 7.499 1.00 0.00 N ATOM 270 CA LEU A 61 -27.145 -9.516 7.181 1.00 0.00 C ATOM 271 C LEU A 61 -27.373 -10.476 8.343 1.00 0.00 C ATOM 272 O LEU A 61 -28.478 -10.567 8.879 1.00 0.00 O ATOM 273 CB LEU A 61 -26.779 -10.301 5.920 1.00 0.00 C ATOM 274 CG LEU A 61 -26.928 -9.551 4.595 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.274 -10.330 3.464 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.396 -9.294 4.290 1.00 0.00 C ATOM 0 H LEU A 61 -25.243 -8.663 6.951 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.068 -8.965 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.745 -10.635 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.400 -11.196 5.880 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.423 -8.589 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.390 -9.781 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.213 -10.461 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.749 -11.307 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.483 -8.760 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.925 -10.245 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.834 -8.693 5.087 1.00 0.00 H new ATOM 288 N PHE A 62 -26.321 -11.191 8.729 1.00 0.00 N ATOM 289 CA PHE A 62 -26.407 -12.144 9.829 1.00 0.00 C ATOM 290 C PHE A 62 -27.022 -11.494 11.066 1.00 0.00 C ATOM 291 O PHE A 62 -28.016 -11.980 11.605 1.00 0.00 O ATOM 292 CB PHE A 62 -25.019 -12.694 10.165 1.00 0.00 C ATOM 293 CG PHE A 62 -25.031 -13.725 11.257 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.983 -14.732 11.267 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.089 -13.688 12.273 1.00 0.00 C ATOM 296 CE1 PHE A 62 -25.996 -15.681 12.271 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.097 -14.636 13.279 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.051 -15.634 13.278 1.00 0.00 C ATOM 0 H PHE A 62 -25.399 -11.128 8.296 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.050 -12.966 9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.584 -13.132 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.372 -11.869 10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.723 -14.775 10.481 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.340 -12.910 12.279 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.745 -16.459 12.269 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.358 -14.596 14.065 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.059 -16.376 14.062 1.00 0.00 H new ATOM 308 N ILE A 63 -26.422 -10.395 11.509 1.00 0.00 N ATOM 309 CA ILE A 63 -26.910 -9.678 12.681 1.00 0.00 C ATOM 310 C ILE A 63 -28.397 -9.366 12.554 1.00 0.00 C ATOM 311 O ILE A 63 -29.160 -9.527 13.507 1.00 0.00 O ATOM 312 CB ILE A 63 -26.137 -8.364 12.899 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.685 -8.657 13.281 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.813 -7.524 13.972 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.537 -9.315 14.635 1.00 0.00 C ATOM 0 H ILE A 63 -25.597 -9.981 11.074 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.750 -10.330 13.540 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.140 -7.799 11.967 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.241 -9.302 12.522 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.121 -7.724 13.276 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.255 -6.599 14.115 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.832 -7.290 13.663 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.837 -8.081 14.909 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.481 -9.493 14.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.951 -8.662 15.404 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.072 -10.264 14.639 1.00 0.00 H new ATOM 327 N LEU A 64 -28.803 -8.919 11.371 1.00 0.00 N ATOM 328 CA LEU A 64 -30.201 -8.586 11.118 1.00 0.00 C ATOM 329 C LEU A 64 -31.074 -9.836 11.153 1.00 0.00 C ATOM 330 O LEU A 64 -32.216 -9.795 11.611 1.00 0.00 O ATOM 331 CB LEU A 64 -30.342 -7.890 9.763 1.00 0.00 C ATOM 332 CG LEU A 64 -29.901 -6.427 9.711 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.755 -5.964 8.269 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.889 -5.544 10.459 1.00 0.00 C ATOM 0 H LEU A 64 -28.185 -8.779 10.572 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.536 -7.910 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.763 -8.449 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.386 -7.945 9.456 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.930 -6.344 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.441 -4.920 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.008 -6.576 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.712 -6.063 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.558 -4.506 10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.874 -5.632 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.943 -5.860 11.501 1.00 0.00 H new ATOM 346 N VAL A 65 -30.528 -10.947 10.669 1.00 0.00 N ATOM 347 CA VAL A 65 -31.256 -12.210 10.649 1.00 0.00 C ATOM 348 C VAL A 65 -31.691 -12.617 12.052 1.00 0.00 C ATOM 349 O VAL A 65 -32.838 -13.007 12.268 1.00 0.00 O ATOM 350 CB VAL A 65 -30.403 -13.339 10.040 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.148 -14.664 10.101 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.016 -13.002 8.608 1.00 0.00 C ATOM 0 H VAL A 65 -29.584 -10.998 10.286 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.139 -12.056 10.029 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.489 -13.436 10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.530 -15.449 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.369 -14.910 11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.080 -14.584 9.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.414 -13.811 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.917 -12.876 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.439 -12.077 8.595 1.00 0.00 H new ATOM 362 N ILE A 66 -30.767 -12.522 13.003 1.00 0.00 N ATOM 363 CA ILE A 66 -31.056 -12.879 14.386 1.00 0.00 C ATOM 364 C ILE A 66 -32.075 -11.924 14.999 1.00 0.00 C ATOM 365 O ILE A 66 -33.129 -12.345 15.474 1.00 0.00 O ATOM 366 CB ILE A 66 -29.779 -12.871 15.248 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.707 -13.763 14.617 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.093 -13.331 16.663 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.442 -13.019 14.250 1.00 0.00 C ATOM 0 H ILE A 66 -29.813 -12.201 12.841 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.469 -13.888 14.372 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.396 -11.852 15.295 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.459 -14.565 15.312 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.116 -14.231 13.722 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.181 -13.320 17.260 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.827 -12.660 17.109 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.496 -14.343 16.635 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.727 -13.713 13.808 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.677 -12.234 13.531 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.009 -12.573 15.146 1.00 0.00 H new ATOM 381 N VAL A 67 -31.753 -10.634 14.983 1.00 0.00 N ATOM 382 CA VAL A 67 -32.641 -9.618 15.534 1.00 0.00 C ATOM 383 C VAL A 67 -34.035 -9.716 14.924 1.00 0.00 C ATOM 384 O VAL A 67 -35.031 -9.815 15.639 1.00 0.00 O ATOM 385 CB VAL A 67 -32.088 -8.200 15.297 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.015 -7.157 15.902 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.684 -8.074 15.869 1.00 0.00 C ATOM 0 H VAL A 67 -30.884 -10.268 14.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.703 -9.801 16.607 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.035 -8.024 14.223 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.608 -6.162 15.725 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.000 -7.234 15.441 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.103 -7.327 16.975 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.308 -7.066 15.693 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.709 -8.270 16.941 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.027 -8.796 15.384 1.00 0.00 H new ATOM 397 N GLY A 68 -34.097 -9.689 13.596 1.00 0.00 N ATOM 398 CA GLY A 68 -35.373 -9.777 12.911 1.00 0.00 C ATOM 399 C GLY A 68 -36.198 -10.963 13.371 1.00 0.00 C ATOM 400 O GLY A 68 -37.331 -10.802 13.825 1.00 0.00 O ATOM 0 H GLY A 68 -33.286 -9.608 12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.936 -8.859 13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.201 -9.853 11.837 1.00 0.00 H new ATOM 404 N LEU A 69 -35.629 -12.158 13.253 1.00 0.00 N ATOM 405 CA LEU A 69 -36.320 -13.377 13.659 1.00 0.00 C ATOM 406 C LEU A 69 -36.722 -13.311 15.128 1.00 0.00 C ATOM 407 O LEU A 69 -37.833 -13.696 15.498 1.00 0.00 O ATOM 408 CB LEU A 69 -35.429 -14.596 13.416 1.00 0.00 C ATOM 409 CG LEU A 69 -35.284 -15.043 11.961 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.374 -16.257 11.863 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.648 -15.347 11.358 1.00 0.00 C ATOM 0 H LEU A 69 -34.692 -12.309 12.880 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.225 -13.470 13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.436 -14.379 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.825 -15.431 13.994 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.831 -14.229 11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.283 -16.560 10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.388 -16.006 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.797 -17.077 12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.526 -15.664 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.128 -16.144 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.269 -14.452 11.393 1.00 0.00 H new ATOM 423 N THR A 70 -35.813 -12.820 15.965 1.00 0.00 N ATOM 424 CA THR A 70 -36.073 -12.702 17.394 1.00 0.00 C ATOM 425 C THR A 70 -37.377 -11.957 17.656 1.00 0.00 C ATOM 426 O THR A 70 -38.134 -12.311 18.560 1.00 0.00 O ATOM 427 CB THR A 70 -34.924 -11.974 18.116 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.730 -12.762 18.057 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.285 -11.699 19.568 1.00 0.00 C ATOM 0 H THR A 70 -34.889 -12.497 15.677 1.00 0.00 H new ATOM 0 HA THR A 70 -36.153 -13.716 17.786 1.00 0.00 H new ATOM 0 HB THR A 70 -34.755 -11.022 17.614 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.217 -12.519 17.258 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.458 -11.184 20.057 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.177 -11.074 19.609 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.479 -12.642 20.080 1.00 0.00 H new ATOM 437 N PHE A 71 -37.633 -10.925 16.860 1.00 0.00 N ATOM 438 CA PHE A 71 -38.846 -10.129 17.007 1.00 0.00 C ATOM 439 C PHE A 71 -40.075 -10.926 16.578 1.00 0.00 C ATOM 440 O PHE A 71 -41.054 -11.022 17.317 1.00 0.00 O ATOM 441 CB PHE A 71 -38.743 -8.846 16.180 1.00 0.00 C ATOM 442 CG PHE A 71 -39.886 -7.896 16.402 1.00 0.00 C ATOM 443 CD1 PHE A 71 -41.061 -8.025 15.679 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.785 -6.876 17.333 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.113 -7.152 15.881 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.834 -6.000 17.540 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.000 -6.139 16.813 1.00 0.00 C ATOM 0 H PHE A 71 -37.017 -10.620 16.106 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.953 -9.867 18.060 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.808 -8.341 16.423 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.698 -9.107 15.123 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.156 -8.816 14.950 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.875 -6.764 17.904 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -43.023 -7.262 15.310 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.742 -5.208 18.269 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.822 -5.457 16.973 1.00 0.00 H new ATOM 457 N ALA A 72 -40.014 -11.496 15.379 1.00 0.00 N ATOM 458 CA ALA A 72 -41.120 -12.286 14.852 1.00 0.00 C ATOM 459 C ALA A 72 -41.410 -13.489 15.744 1.00 0.00 C ATOM 460 O ALA A 72 -42.548 -13.950 15.831 1.00 0.00 O ATOM 461 CB ALA A 72 -40.814 -12.742 13.433 1.00 0.00 C ATOM 0 H ALA A 72 -39.211 -11.425 14.754 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.009 -11.655 14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.648 -13.331 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.664 -11.871 12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.910 -13.351 13.434 1.00 0.00 H new ATOM 467 N VAL A 73 -40.373 -13.992 16.406 1.00 0.00 N ATOM 468 CA VAL A 73 -40.516 -15.141 17.293 1.00 0.00 C ATOM 469 C VAL A 73 -41.051 -14.719 18.656 1.00 0.00 C ATOM 470 O VAL A 73 -41.911 -15.387 19.231 1.00 0.00 O ATOM 471 CB VAL A 73 -39.175 -15.874 17.484 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.325 -17.011 18.482 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.655 -16.389 16.150 1.00 0.00 C ATOM 0 H VAL A 73 -39.424 -13.622 16.345 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.227 -15.819 16.821 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.448 -15.167 17.883 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.367 -17.517 18.604 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.649 -16.611 19.443 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.067 -17.721 18.116 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.707 -16.904 16.304 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.379 -17.081 15.720 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.506 -15.551 15.469 1.00 0.00 H new ATOM 483 N TYR A 74 -40.537 -13.607 19.169 1.00 0.00 N ATOM 484 CA TYR A 74 -40.962 -13.096 20.467 1.00 0.00 C ATOM 485 C TYR A 74 -42.466 -12.842 20.487 1.00 0.00 C ATOM 486 O TYR A 74 -43.153 -13.185 21.449 1.00 0.00 O ATOM 487 CB TYR A 74 -40.211 -11.806 20.802 1.00 0.00 C ATOM 488 CG TYR A 74 -40.343 -11.387 22.248 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.707 -12.097 23.259 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.106 -10.281 22.604 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.825 -11.717 24.582 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.228 -9.894 23.925 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.587 -10.615 24.910 1.00 0.00 C ATOM 494 OH TYR A 74 -40.707 -10.233 26.226 1.00 0.00 O ATOM 0 H TYR A 74 -39.825 -13.042 18.706 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.729 -13.850 21.219 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.155 -11.938 20.566 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.582 -11.003 20.165 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -39.110 -12.961 23.006 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.612 -9.715 21.836 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.323 -12.280 25.355 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.823 -9.031 24.185 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.277 -9.438 26.285 1.00 0.00 H new ATOM 504 N VAL A 75 -42.972 -12.239 19.416 1.00 0.00 N ATOM 505 CA VAL A 75 -44.395 -11.940 19.307 1.00 0.00 C ATOM 506 C VAL A 75 -45.222 -13.219 19.245 1.00 0.00 C ATOM 507 O VAL A 75 -46.227 -13.355 19.943 1.00 0.00 O ATOM 508 CB VAL A 75 -44.695 -11.085 18.062 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.193 -10.867 17.913 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.959 -9.756 18.138 1.00 0.00 C ATOM 0 H VAL A 75 -42.417 -11.948 18.611 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.670 -11.377 20.199 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.340 -11.620 17.181 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.386 -10.261 17.028 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.692 -11.830 17.809 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.575 -10.353 18.795 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.183 -9.165 17.250 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.281 -9.212 19.026 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.886 -9.937 18.192 1.00 0.00 H new ATOM 520 N ARG A 76 -44.793 -14.154 18.404 1.00 0.00 N ATOM 521 CA ARG A 76 -45.494 -15.423 18.250 1.00 0.00 C ATOM 522 C ARG A 76 -45.730 -16.082 19.606 1.00 0.00 C ATOM 523 O ARG A 76 -46.796 -16.644 19.857 1.00 0.00 O ATOM 524 CB ARG A 76 -44.697 -16.364 17.345 1.00 0.00 C ATOM 525 CG ARG A 76 -44.663 -15.926 15.890 1.00 0.00 C ATOM 526 CD ARG A 76 -45.509 -16.836 15.014 1.00 0.00 C ATOM 527 NE ARG A 76 -45.469 -16.437 13.610 1.00 0.00 N ATOM 528 CZ ARG A 76 -45.873 -17.216 12.612 1.00 0.00 C ATOM 529 NH1 ARG A 76 -46.346 -18.429 12.864 1.00 0.00 N ATOM 530 NH2 ARG A 76 -45.806 -16.781 11.360 1.00 0.00 N ATOM 0 H ARG A 76 -43.963 -14.057 17.819 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.462 -15.221 17.790 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.675 -16.435 17.718 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.128 -17.363 17.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.026 -14.901 15.809 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.633 -15.929 15.532 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.155 -17.862 15.109 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.541 -16.821 15.366 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.111 -15.509 13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.400 -18.766 13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -46.656 -19.025 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -45.444 -15.848 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.116 -17.380 10.595 1.00 0.00 H new ATOM 544 N ARG A 77 -44.727 -16.010 20.475 1.00 0.00 N ATOM 545 CA ARG A 77 -44.825 -16.601 21.804 1.00 0.00 C ATOM 546 C ARG A 77 -46.092 -16.135 22.515 1.00 0.00 C ATOM 547 O ARG A 77 -46.607 -16.818 23.401 1.00 0.00 O ATOM 548 CB ARG A 77 -43.596 -16.237 22.639 1.00 0.00 C ATOM 549 CG ARG A 77 -42.327 -16.947 22.198 1.00 0.00 C ATOM 550 CD ARG A 77 -42.466 -18.457 22.310 1.00 0.00 C ATOM 551 NE ARG A 77 -41.478 -19.032 23.218 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.435 -20.321 23.537 1.00 0.00 C ATOM 553 NH1 ARG A 77 -42.320 -21.164 23.024 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.505 -20.769 24.371 1.00 0.00 N ATOM 0 H ARG A 77 -43.838 -15.549 20.283 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.871 -17.684 21.690 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.437 -15.160 22.585 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.793 -16.478 23.684 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.097 -16.677 21.167 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.490 -16.611 22.810 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -43.468 -18.704 22.661 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -42.355 -18.905 21.323 1.00 0.00 H new ATOM 0 HE ARG A 77 -40.783 -18.410 23.630 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -43.036 -20.824 22.383 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -42.285 -22.153 23.271 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -39.822 -20.123 24.768 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.473 -21.759 24.615 1.00 0.00 H new ATOM 568 N LYS A 78 -46.591 -14.968 22.121 1.00 0.00 N ATOM 569 CA LYS A 78 -47.798 -14.410 22.718 1.00 0.00 C ATOM 570 C LYS A 78 -49.047 -14.962 22.038 1.00 0.00 C ATOM 571 O LYS A 78 -49.956 -15.461 22.700 1.00 0.00 O ATOM 572 CB LYS A 78 -47.782 -12.883 22.618 1.00 0.00 C ATOM 573 CG LYS A 78 -47.618 -12.187 23.958 1.00 0.00 C ATOM 574 CD LYS A 78 -47.055 -10.786 23.793 1.00 0.00 C ATOM 575 CE LYS A 78 -45.793 -10.591 24.619 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.097 -10.422 26.067 1.00 0.00 N ATOM 0 H LYS A 78 -46.177 -14.390 21.390 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.821 -14.699 23.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.969 -12.579 21.958 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.710 -12.548 22.155 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.583 -12.135 24.463 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -46.956 -12.773 24.595 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -46.835 -10.603 22.741 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -47.805 -10.054 24.094 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.135 -11.449 24.484 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.254 -9.716 24.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.210 -10.292 26.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -46.704 -9.588 26.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.589 -11.268 26.419 1.00 0.00 H new ATOM 875 N LEU B 52 -10.944 -7.159 8.684 1.00 0.00 N ATOM 876 CA LEU B 52 -11.992 -8.169 8.580 1.00 0.00 C ATOM 877 C LEU B 52 -12.902 -8.137 9.804 1.00 0.00 C ATOM 878 O LEU B 52 -14.071 -7.760 9.710 1.00 0.00 O ATOM 879 CB LEU B 52 -11.374 -9.559 8.426 1.00 0.00 C ATOM 880 CG LEU B 52 -12.359 -10.723 8.310 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.191 -10.593 7.044 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.620 -12.052 8.331 1.00 0.00 C ATOM 0 HA LEU B 52 -12.592 -7.945 7.698 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.740 -9.556 7.540 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.725 -9.743 9.282 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.031 -10.692 9.167 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.886 -11.430 6.978 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.750 -9.658 7.071 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.534 -10.598 6.175 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.337 -12.869 8.247 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.923 -12.094 7.494 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.069 -12.147 9.267 1.00 0.00 H new ATOM 894 N ILE B 53 -12.358 -8.531 10.950 1.00 0.00 N ATOM 895 CA ILE B 53 -13.121 -8.545 12.192 1.00 0.00 C ATOM 896 C ILE B 53 -13.728 -7.175 12.479 1.00 0.00 C ATOM 897 O ILE B 53 -14.908 -7.065 12.810 1.00 0.00 O ATOM 898 CB ILE B 53 -12.244 -8.965 13.386 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.570 -10.309 13.103 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.080 -9.043 14.655 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.684 -10.790 14.231 1.00 0.00 C ATOM 0 H ILE B 53 -11.392 -8.845 11.044 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.920 -9.275 12.064 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.468 -8.213 13.531 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.338 -11.058 12.910 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.974 -10.223 12.195 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.446 -9.341 15.490 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.519 -8.067 14.862 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.875 -9.777 14.523 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.239 -11.748 13.961 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.894 -10.061 14.409 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.280 -10.909 15.136 1.00 0.00 H new ATOM 913 N ALA B 54 -12.913 -6.134 12.348 1.00 0.00 N ATOM 914 CA ALA B 54 -13.370 -4.771 12.589 1.00 0.00 C ATOM 915 C ALA B 54 -14.646 -4.474 11.809 1.00 0.00 C ATOM 916 O ALA B 54 -15.686 -4.170 12.393 1.00 0.00 O ATOM 917 CB ALA B 54 -12.280 -3.775 12.221 1.00 0.00 C ATOM 0 H ALA B 54 -11.933 -6.208 12.076 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.593 -4.672 13.651 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.636 -2.761 12.406 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.394 -3.965 12.827 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.029 -3.884 11.166 1.00 0.00 H new ATOM 923 N ALA B 55 -14.560 -4.563 10.486 1.00 0.00 N ATOM 924 CA ALA B 55 -15.708 -4.305 9.626 1.00 0.00 C ATOM 925 C ALA B 55 -16.924 -5.107 10.078 1.00 0.00 C ATOM 926 O ALA B 55 -18.057 -4.636 9.993 1.00 0.00 O ATOM 927 CB ALA B 55 -15.368 -4.630 8.179 1.00 0.00 C ATOM 0 H ALA B 55 -13.706 -4.812 9.986 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.955 -3.246 9.701 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.235 -4.432 7.548 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.533 -4.009 7.853 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.092 -5.681 8.097 1.00 0.00 H new ATOM 933 N GLY B 56 -16.680 -6.322 10.559 1.00 0.00 N ATOM 934 CA GLY B 56 -17.765 -7.170 11.017 1.00 0.00 C ATOM 935 C GLY B 56 -18.578 -6.526 12.123 1.00 0.00 C ATOM 936 O GLY B 56 -19.789 -6.349 11.991 1.00 0.00 O ATOM 0 H GLY B 56 -15.751 -6.734 10.640 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.420 -7.402 10.177 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.357 -8.116 11.374 1.00 0.00 H new ATOM 940 N VAL B 57 -17.911 -6.174 13.218 1.00 0.00 N ATOM 941 CA VAL B 57 -18.579 -5.546 14.351 1.00 0.00 C ATOM 942 C VAL B 57 -19.175 -4.199 13.960 1.00 0.00 C ATOM 943 O VAL B 57 -20.252 -3.826 14.427 1.00 0.00 O ATOM 944 CB VAL B 57 -17.610 -5.343 15.531 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.364 -4.869 16.765 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.849 -6.628 15.823 1.00 0.00 C ATOM 0 H VAL B 57 -16.908 -6.313 13.344 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.380 -6.218 14.659 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.888 -4.574 15.257 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.664 -4.731 17.589 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.859 -3.923 16.548 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.110 -5.613 17.044 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.169 -6.466 16.659 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.555 -7.419 16.077 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.277 -6.921 14.942 1.00 0.00 H new ATOM 956 N ILE B 58 -18.469 -3.473 13.100 1.00 0.00 N ATOM 957 CA ILE B 58 -18.930 -2.167 12.645 1.00 0.00 C ATOM 958 C ILE B 58 -20.218 -2.289 11.839 1.00 0.00 C ATOM 959 O ILE B 58 -21.174 -1.547 12.061 1.00 0.00 O ATOM 960 CB ILE B 58 -17.864 -1.463 11.784 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.625 -1.147 12.625 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.433 -0.192 11.171 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.491 -0.544 11.826 1.00 0.00 C ATOM 0 H ILE B 58 -17.576 -3.767 12.704 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.118 -1.570 13.537 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.570 -2.133 10.976 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.903 -0.458 13.423 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.276 -2.063 13.102 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.668 0.294 10.566 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.288 -0.442 10.543 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.751 0.484 11.965 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.646 -0.346 12.486 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.186 -1.240 11.045 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.823 0.389 11.371 1.00 0.00 H new ATOM 975 N GLY B 59 -20.238 -3.233 10.902 1.00 0.00 N ATOM 976 CA GLY B 59 -21.415 -3.436 10.078 1.00 0.00 C ATOM 977 C GLY B 59 -22.651 -3.746 10.900 1.00 0.00 C ATOM 978 O GLY B 59 -23.693 -3.115 10.727 1.00 0.00 O ATOM 0 H GLY B 59 -19.460 -3.860 10.699 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.595 -2.543 9.480 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.231 -4.254 9.382 1.00 0.00 H new ATOM 982 N GLY B 60 -22.535 -4.721 11.796 1.00 0.00 N ATOM 983 CA GLY B 60 -23.660 -5.097 12.632 1.00 0.00 C ATOM 984 C GLY B 60 -24.190 -3.935 13.448 1.00 0.00 C ATOM 985 O GLY B 60 -25.402 -3.759 13.579 1.00 0.00 O ATOM 0 H GLY B 60 -21.682 -5.257 11.958 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.459 -5.491 12.004 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.357 -5.900 13.304 1.00 0.00 H new ATOM 989 N LEU B 61 -23.281 -3.139 14.000 1.00 0.00 N ATOM 990 CA LEU B 61 -23.664 -1.987 14.810 1.00 0.00 C ATOM 991 C LEU B 61 -24.314 -0.908 13.950 1.00 0.00 C ATOM 992 O LEU B 61 -25.466 -0.534 14.171 1.00 0.00 O ATOM 993 CB LEU B 61 -22.440 -1.414 15.527 1.00 0.00 C ATOM 994 CG LEU B 61 -21.981 -2.166 16.777 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.616 -1.671 17.227 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.002 -2.014 17.896 1.00 0.00 C ATOM 0 H LEU B 61 -22.274 -3.270 13.902 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.390 -2.321 15.552 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.611 -1.384 14.820 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.657 -0.383 15.807 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.897 -3.224 16.530 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.306 -2.218 18.118 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.890 -1.833 16.431 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.672 -0.607 17.456 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.659 -2.556 18.778 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.119 -0.958 18.141 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.960 -2.419 17.572 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.569 -0.413 12.967 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.074 0.622 12.072 1.00 0.00 C ATOM 1010 C PHE B 62 -25.419 0.217 11.476 1.00 0.00 C ATOM 1011 O PHE B 62 -26.409 0.938 11.605 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.067 0.892 10.952 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.490 1.989 10.018 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.008 3.176 10.511 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.370 1.834 8.646 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.399 4.187 9.654 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.759 2.842 7.783 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.273 4.020 8.288 1.00 0.00 C ATOM 0 H PHE B 62 -22.614 -0.712 12.770 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.214 1.534 12.653 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.105 1.153 11.394 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.917 -0.024 10.380 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.107 3.313 11.578 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.968 0.915 8.246 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.803 5.107 10.051 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.661 2.708 6.716 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.576 4.810 7.616 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.446 -0.940 10.824 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.668 -1.441 10.208 1.00 0.00 C ATOM 1030 C ILE B 63 -27.816 -1.472 11.212 1.00 0.00 C ATOM 1031 O ILE B 63 -28.951 -1.121 10.885 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.469 -2.854 9.629 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.486 -2.815 8.457 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.803 -3.439 9.189 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.012 -2.068 7.252 1.00 0.00 C ATOM 0 H ILE B 63 -24.635 -1.548 10.709 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.916 -0.757 9.396 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.053 -3.494 10.407 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.558 -2.348 8.787 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.242 -3.836 8.164 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.646 -4.438 8.782 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.475 -3.498 10.045 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.245 -2.801 8.424 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.263 -2.081 6.460 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.924 -2.547 6.896 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.229 -1.036 7.530 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.514 -1.893 12.435 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.520 -1.968 13.488 1.00 0.00 C ATOM 1049 C LEU B 64 -28.987 -0.574 13.896 1.00 0.00 C ATOM 1050 O LEU B 64 -30.165 -0.362 14.184 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.959 -2.707 14.705 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.045 -4.233 14.662 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.199 -4.846 15.767 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.492 -4.689 14.781 1.00 0.00 C ATOM 0 H LEU B 64 -26.581 -2.188 12.722 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.377 -2.519 13.099 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.913 -2.425 14.826 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.487 -2.358 15.592 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.655 -4.573 13.703 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.272 -5.933 15.721 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.159 -4.547 15.638 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.559 -4.499 16.736 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.534 -5.778 14.749 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.908 -4.338 15.725 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.072 -4.279 13.954 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.055 0.374 13.917 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.372 1.748 14.286 1.00 0.00 C ATOM 1068 C VAL B 65 -29.450 2.327 13.377 1.00 0.00 C ATOM 1069 O VAL B 65 -30.416 2.927 13.848 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.123 2.648 14.221 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.485 4.088 14.555 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.044 2.129 15.159 1.00 0.00 C ATOM 0 H VAL B 65 -27.075 0.215 13.683 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.741 1.724 15.311 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.731 2.624 13.204 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.591 4.709 14.504 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.222 4.453 13.840 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.902 4.134 15.561 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.169 2.776 15.101 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.423 2.122 16.181 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.766 1.116 14.869 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.278 2.143 12.072 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.237 2.645 11.097 1.00 0.00 C ATOM 1084 C ILE B 66 -31.591 1.960 11.254 1.00 0.00 C ATOM 1085 O ILE B 66 -32.613 2.618 11.446 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.735 2.440 9.656 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.352 3.070 9.480 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.723 3.032 8.661 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.282 2.077 9.082 1.00 0.00 C ATOM 0 H ILE B 66 -28.483 1.650 11.666 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.348 3.713 11.286 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.653 1.370 9.464 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.411 3.851 8.722 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.060 3.552 10.413 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.354 2.879 7.647 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.690 2.542 8.773 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.834 4.100 8.850 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.328 2.593 8.975 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.195 1.309 9.850 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.551 1.612 8.133 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.589 0.633 11.173 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.817 -0.142 11.309 1.00 0.00 C ATOM 1103 C VAL B 67 -33.542 0.200 12.606 1.00 0.00 C ATOM 1104 O VAL B 67 -34.723 0.546 12.596 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.531 -1.655 11.278 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.825 -2.446 11.394 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.779 -2.029 10.009 1.00 0.00 C ATOM 0 H VAL B 67 -30.752 0.073 11.014 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.451 0.119 10.462 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.903 -1.906 12.133 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.603 -3.513 11.370 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.319 -2.199 12.334 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.482 -2.194 10.561 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.585 -3.102 10.004 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.380 -1.764 9.139 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.833 -1.489 9.974 1.00 0.00 H new