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 73: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 -11.971 -9.885 2.309 1.00 0.00 N ATOM 142 CA PRO A 51 -12.541 -10.188 3.626 1.00 0.00 C ATOM 143 C PRO A 51 -13.223 -8.979 4.255 1.00 0.00 C ATOM 144 O PRO A 51 -14.293 -9.098 4.853 1.00 0.00 O ATOM 145 CB PRO A 51 -11.322 -10.605 4.452 1.00 0.00 C ATOM 146 CG PRO A 51 -10.169 -9.929 3.794 1.00 0.00 C ATOM 147 CD PRO A 51 -10.499 -9.880 2.328 1.00 0.00 C ATOM 0 HA PRO A 51 -13.316 -10.952 3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.423 -10.293 5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.197 -11.688 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.024 -8.926 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.244 -10.478 3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.094 -8.985 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.087 -10.737 1.795 1.00 0.00 H new ATOM 155 N LEU A 52 -12.598 -7.815 4.117 1.00 0.00 N ATOM 156 CA LEU A 52 -13.145 -6.582 4.672 1.00 0.00 C ATOM 157 C LEU A 52 -14.587 -6.374 4.220 1.00 0.00 C ATOM 158 O LEU A 52 -15.517 -6.458 5.022 1.00 0.00 O ATOM 159 CB LEU A 52 -12.289 -5.386 4.252 1.00 0.00 C ATOM 160 CG LEU A 52 -12.811 -4.009 4.664 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.870 -3.892 6.179 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.938 -2.910 4.076 1.00 0.00 C ATOM 0 H LEU A 52 -11.712 -7.699 3.625 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.133 -6.665 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.291 -5.514 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.184 -5.403 3.167 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.821 -3.892 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.244 -2.906 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.537 -4.657 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.871 -4.030 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.324 -1.937 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.916 -3.024 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.947 -2.981 2.988 1.00 0.00 H new ATOM 174 N ILE A 53 -14.764 -6.104 2.931 1.00 0.00 N ATOM 175 CA ILE A 53 -16.093 -5.888 2.372 1.00 0.00 C ATOM 176 C ILE A 53 -17.007 -7.075 2.653 1.00 0.00 C ATOM 177 O ILE A 53 -18.157 -6.905 3.058 1.00 0.00 O ATOM 178 CB ILE A 53 -16.032 -5.649 0.852 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.058 -4.514 0.530 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.418 -5.335 0.309 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.952 -4.209 -0.948 1.00 0.00 C ATOM 0 H ILE A 53 -14.004 -6.030 2.254 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.498 -4.999 2.855 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.672 -6.558 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.375 -3.614 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.070 -4.775 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.358 -5.169 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.086 -6.173 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.804 -4.439 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.244 -3.394 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.605 -5.096 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.930 -3.917 -1.330 1.00 0.00 H new ATOM 193 N ALA A 54 -16.488 -8.279 2.437 1.00 0.00 N ATOM 194 CA ALA A 54 -17.256 -9.496 2.670 1.00 0.00 C ATOM 195 C ALA A 54 -17.866 -9.500 4.068 1.00 0.00 C ATOM 196 O ALA A 54 -19.087 -9.520 4.222 1.00 0.00 O ATOM 197 CB ALA A 54 -16.376 -10.722 2.472 1.00 0.00 C ATOM 0 H ALA A 54 -15.538 -8.438 2.101 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.070 -9.527 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.963 -11.623 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.992 -10.734 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.542 -10.688 3.173 1.00 0.00 H new ATOM 203 N ALA A 55 -17.008 -9.482 5.083 1.00 0.00 N ATOM 204 CA ALA A 55 -17.463 -9.483 6.467 1.00 0.00 C ATOM 205 C ALA A 55 -18.490 -8.381 6.708 1.00 0.00 C ATOM 206 O ALA A 55 -19.406 -8.538 7.514 1.00 0.00 O ATOM 207 CB ALA A 55 -16.281 -9.321 7.412 1.00 0.00 C ATOM 0 H ALA A 55 -15.994 -9.467 4.972 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.943 -10.441 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.636 -9.323 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.583 -10.146 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.776 -8.378 7.205 1.00 0.00 H new ATOM 213 N GLY A 56 -18.329 -7.264 6.004 1.00 0.00 N ATOM 214 CA GLY A 56 -19.249 -6.152 6.156 1.00 0.00 C ATOM 215 C GLY A 56 -20.676 -6.529 5.811 1.00 0.00 C ATOM 216 O GLY A 56 -21.581 -6.382 6.633 1.00 0.00 O ATOM 0 H GLY A 56 -17.578 -7.110 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.210 -5.790 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.929 -5.330 5.516 1.00 0.00 H new ATOM 220 N VAL A 57 -20.880 -7.014 4.590 1.00 0.00 N ATOM 221 CA VAL A 57 -22.208 -7.412 4.138 1.00 0.00 C ATOM 222 C VAL A 57 -22.734 -8.591 4.948 1.00 0.00 C ATOM 223 O VAL A 57 -23.926 -8.669 5.246 1.00 0.00 O ATOM 224 CB VAL A 57 -22.201 -7.790 2.645 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.620 -8.014 2.144 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.501 -6.716 1.826 1.00 0.00 C ATOM 0 H VAL A 57 -20.143 -7.141 3.897 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.864 -6.554 4.285 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.648 -8.722 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.595 -8.280 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.083 -8.822 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.200 -7.101 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.506 -7.000 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.023 -5.767 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.472 -6.610 2.169 1.00 0.00 H new ATOM 236 N ILE A 58 -21.838 -9.506 5.301 1.00 0.00 N ATOM 237 CA ILE A 58 -22.212 -10.681 6.078 1.00 0.00 C ATOM 238 C ILE A 58 -22.686 -10.289 7.474 1.00 0.00 C ATOM 239 O ILE A 58 -23.734 -10.739 7.934 1.00 0.00 O ATOM 240 CB ILE A 58 -21.037 -11.669 6.206 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.650 -12.215 4.831 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.401 -12.804 7.151 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.428 -13.107 4.857 1.00 0.00 C ATOM 0 H ILE A 58 -20.848 -9.456 5.061 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.028 -11.167 5.543 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.179 -11.140 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.490 -12.776 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.466 -11.379 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.561 -13.494 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.632 -12.398 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.271 -13.335 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.212 -13.458 3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.575 -12.544 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.616 -13.962 5.506 1.00 0.00 H new ATOM 255 N GLY A 59 -21.906 -9.443 8.142 1.00 0.00 N ATOM 256 CA GLY A 59 -22.264 -9.003 9.478 1.00 0.00 C ATOM 257 C GLY A 59 -23.634 -8.356 9.528 1.00 0.00 C ATOM 258 O GLY A 59 -24.482 -8.742 10.331 1.00 0.00 O ATOM 0 H GLY A 59 -21.034 -9.055 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.244 -9.856 10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.517 -8.294 9.836 1.00 0.00 H new ATOM 262 N GLY A 60 -23.851 -7.366 8.667 1.00 0.00 N ATOM 263 CA GLY A 60 -25.128 -6.678 8.634 1.00 0.00 C ATOM 264 C GLY A 60 -26.290 -7.624 8.402 1.00 0.00 C ATOM 265 O GLY A 60 -27.333 -7.507 9.047 1.00 0.00 O ATOM 0 H GLY A 60 -23.165 -7.028 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.277 -6.149 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.112 -5.926 7.845 1.00 0.00 H new ATOM 269 N LEU A 61 -26.112 -8.562 7.479 1.00 0.00 N ATOM 270 CA LEU A 61 -27.155 -9.531 7.162 1.00 0.00 C ATOM 271 C LEU A 61 -27.383 -10.486 8.329 1.00 0.00 C ATOM 272 O LEU A 61 -28.489 -10.579 8.862 1.00 0.00 O ATOM 273 CB LEU A 61 -26.780 -10.321 5.907 1.00 0.00 C ATOM 274 CG LEU A 61 -26.929 -9.580 4.578 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.276 -10.366 3.452 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.397 -9.324 4.271 1.00 0.00 C ATOM 0 H LEU A 61 -25.255 -8.672 6.937 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.080 -8.985 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.745 -10.648 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.396 -11.220 5.870 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.423 -8.618 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.392 -9.823 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.215 -10.496 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.752 -11.343 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.483 -8.796 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.926 -10.275 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.834 -8.718 5.064 1.00 0.00 H new ATOM 288 N PHE A 62 -26.329 -11.194 8.722 1.00 0.00 N ATOM 289 CA PHE A 62 -26.414 -12.142 9.827 1.00 0.00 C ATOM 290 C PHE A 62 -27.031 -11.487 11.059 1.00 0.00 C ATOM 291 O PHE A 62 -28.020 -11.975 11.605 1.00 0.00 O ATOM 292 CB PHE A 62 -25.026 -12.688 10.166 1.00 0.00 C ATOM 293 CG PHE A 62 -25.036 -13.712 11.264 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.988 -14.719 11.282 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.095 -13.668 12.280 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.000 -15.664 12.291 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.102 -14.610 13.292 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.056 -15.608 13.298 1.00 0.00 C ATOM 0 H PHE A 62 -25.406 -11.129 8.292 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.055 -12.967 9.517 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.590 -13.131 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.380 -11.860 10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.730 -14.766 10.498 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.347 -12.889 12.281 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.746 -16.445 12.292 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.362 -14.565 14.077 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.064 -16.344 14.089 1.00 0.00 H new ATOM 308 N ILE A 63 -26.438 -10.379 11.492 1.00 0.00 N ATOM 309 CA ILE A 63 -26.929 -9.656 12.659 1.00 0.00 C ATOM 310 C ILE A 63 -28.418 -9.353 12.531 1.00 0.00 C ATOM 311 O ILE A 63 -29.178 -9.509 13.488 1.00 0.00 O ATOM 312 CB ILE A 63 -26.163 -8.336 12.866 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.711 -8.620 13.256 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.847 -7.489 13.929 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.565 -9.257 14.620 1.00 0.00 C ATOM 0 H ILE A 63 -25.617 -9.963 11.052 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.765 -10.301 13.523 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.165 -7.780 11.929 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.264 -9.275 12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.149 -7.686 13.238 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.294 -6.559 14.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.866 -7.263 13.614 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.871 -8.037 14.871 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.509 -9.430 14.830 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.982 -8.594 15.378 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.098 -10.207 14.637 1.00 0.00 H new ATOM 327 N LEU A 64 -28.828 -8.920 11.344 1.00 0.00 N ATOM 328 CA LEU A 64 -30.228 -8.596 11.090 1.00 0.00 C ATOM 329 C LEU A 64 -31.093 -9.852 11.132 1.00 0.00 C ATOM 330 O LEU A 64 -32.239 -9.814 11.580 1.00 0.00 O ATOM 331 CB LEU A 64 -30.374 -7.907 9.733 1.00 0.00 C ATOM 332 CG LEU A 64 -29.940 -6.442 9.674 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.809 -5.982 8.230 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.928 -5.563 10.428 1.00 0.00 C ATOM 0 H LEU A 64 -28.212 -8.785 10.543 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.567 -7.917 11.873 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.794 -8.467 8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.418 -7.968 9.427 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.965 -6.352 10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.499 -4.937 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.064 -6.592 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.770 -6.087 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.604 -4.524 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.916 -5.658 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.972 -5.877 11.471 1.00 0.00 H new ATOM 346 N VAL A 65 -30.536 -10.964 10.664 1.00 0.00 N ATOM 347 CA VAL A 65 -31.256 -12.232 10.650 1.00 0.00 C ATOM 348 C VAL A 65 -31.687 -12.634 12.056 1.00 0.00 C ATOM 349 O VAL A 65 -32.829 -13.041 12.273 1.00 0.00 O ATOM 350 CB VAL A 65 -30.396 -13.359 10.047 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.134 -14.687 10.113 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.010 -13.025 8.614 1.00 0.00 C ATOM 0 H VAL A 65 -29.588 -11.013 10.289 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.140 -12.088 10.029 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.482 -13.449 10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.511 -15.471 9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.355 -14.929 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.065 -14.614 9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.403 -13.832 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.911 -12.907 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.439 -12.097 8.598 1.00 0.00 H new ATOM 362 N ILE A 66 -30.767 -12.517 13.007 1.00 0.00 N ATOM 363 CA ILE A 66 -31.053 -12.867 14.393 1.00 0.00 C ATOM 364 C ILE A 66 -32.072 -11.910 15.002 1.00 0.00 C ATOM 365 O ILE A 66 -33.128 -12.330 15.478 1.00 0.00 O ATOM 366 CB ILE A 66 -29.775 -12.853 15.253 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.700 -13.740 14.621 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.085 -13.313 16.669 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.437 -12.991 14.256 1.00 0.00 C ATOM 0 H ILE A 66 -29.817 -12.183 12.843 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.465 -13.876 14.385 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.396 -11.832 15.299 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.449 -14.543 15.314 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.107 -14.208 13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.172 -13.298 17.265 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.821 -12.645 17.116 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.484 -14.327 16.643 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.719 -13.682 13.813 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.674 -12.205 13.539 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.006 -12.546 15.153 1.00 0.00 H new ATOM 381 N VAL A 67 -31.751 -10.621 14.983 1.00 0.00 N ATOM 382 CA VAL A 67 -32.639 -9.603 15.531 1.00 0.00 C ATOM 383 C VAL A 67 -34.032 -9.702 14.919 1.00 0.00 C ATOM 384 O VAL A 67 -35.030 -9.799 15.633 1.00 0.00 O ATOM 385 CB VAL A 67 -32.085 -8.186 15.291 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.033 -7.139 15.856 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.699 -8.046 15.901 1.00 0.00 C ATOM 0 H VAL A 67 -30.882 -10.256 14.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.702 -9.783 16.604 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.002 -8.024 14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.625 -6.144 15.677 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.004 -7.226 15.368 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.151 -7.295 16.928 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.323 -7.039 15.722 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.754 -8.227 16.974 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.026 -8.771 15.444 1.00 0.00 H new ATOM 397 N GLY A 68 -34.092 -9.679 13.591 1.00 0.00 N ATOM 398 CA GLY A 68 -35.368 -9.768 12.905 1.00 0.00 C ATOM 399 C GLY A 68 -36.194 -10.951 13.367 1.00 0.00 C ATOM 400 O GLY A 68 -37.330 -10.788 13.815 1.00 0.00 O ATOM 0 H GLY A 68 -33.280 -9.600 12.978 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.931 -8.849 13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.195 -9.847 11.832 1.00 0.00 H new ATOM 404 N LEU A 69 -35.625 -12.147 13.259 1.00 0.00 N ATOM 405 CA LEU A 69 -36.317 -13.364 13.668 1.00 0.00 C ATOM 406 C LEU A 69 -36.714 -13.296 15.139 1.00 0.00 C ATOM 407 O LEU A 69 -37.828 -13.667 15.511 1.00 0.00 O ATOM 408 CB LEU A 69 -35.429 -14.586 13.423 1.00 0.00 C ATOM 409 CG LEU A 69 -35.295 -15.037 11.969 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.386 -16.253 11.869 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.663 -15.342 11.376 1.00 0.00 C ATOM 0 H LEU A 69 -34.686 -12.300 12.891 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.224 -13.456 13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.433 -14.369 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.822 -15.419 14.006 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.846 -14.225 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.302 -16.560 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.398 -16.001 12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.806 -17.070 12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.548 -15.662 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.139 -16.137 11.950 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.283 -14.446 11.412 1.00 0.00 H new ATOM 423 N THR A 70 -35.796 -12.818 15.973 1.00 0.00 N ATOM 424 CA THR A 70 -36.050 -12.700 17.403 1.00 0.00 C ATOM 425 C THR A 70 -37.347 -11.945 17.671 1.00 0.00 C ATOM 426 O THR A 70 -38.095 -12.282 18.589 1.00 0.00 O ATOM 427 CB THR A 70 -34.893 -11.981 18.122 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.706 -12.779 18.059 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.248 -11.704 19.575 1.00 0.00 C ATOM 0 H THR A 70 -34.869 -12.506 15.682 1.00 0.00 H new ATOM 0 HA THR A 70 -36.136 -13.714 17.793 1.00 0.00 H new ATOM 0 HB THR A 70 -34.717 -11.030 17.620 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.343 -12.753 17.149 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.416 -11.196 20.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.135 -11.072 19.619 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.448 -12.646 20.087 1.00 0.00 H new ATOM 437 N PHE A 71 -37.609 -10.924 16.863 1.00 0.00 N ATOM 438 CA PHE A 71 -38.817 -10.120 17.013 1.00 0.00 C ATOM 439 C PHE A 71 -40.052 -10.912 16.593 1.00 0.00 C ATOM 440 O PHE A 71 -41.017 -11.024 17.348 1.00 0.00 O ATOM 441 CB PHE A 71 -38.711 -8.841 16.181 1.00 0.00 C ATOM 442 CG PHE A 71 -39.819 -7.862 16.442 1.00 0.00 C ATOM 443 CD1 PHE A 71 -41.071 -8.046 15.878 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.610 -6.758 17.252 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.093 -7.147 16.116 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.628 -5.855 17.495 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.872 -6.050 16.926 1.00 0.00 C ATOM 0 H PHE A 71 -37.001 -10.633 16.097 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.918 -9.853 18.065 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.755 -8.360 16.389 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.711 -9.104 15.123 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.250 -8.902 15.245 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.640 -6.601 17.699 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -43.064 -7.302 15.669 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.451 -4.998 18.129 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.670 -5.347 17.114 1.00 0.00 H new ATOM 457 N ALA A 72 -40.014 -11.459 15.382 1.00 0.00 N ATOM 458 CA ALA A 72 -41.128 -12.241 14.862 1.00 0.00 C ATOM 459 C ALA A 72 -41.426 -13.437 15.760 1.00 0.00 C ATOM 460 O ALA A 72 -42.577 -13.854 15.894 1.00 0.00 O ATOM 461 CB ALA A 72 -40.831 -12.705 13.444 1.00 0.00 C ATOM 0 H ALA A 72 -39.223 -11.375 14.743 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.011 -11.603 14.846 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.672 -13.288 13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.675 -11.838 12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.933 -13.322 13.444 1.00 0.00 H new ATOM 467 N VAL A 73 -40.382 -13.986 16.373 1.00 0.00 N ATOM 468 CA VAL A 73 -40.532 -15.134 17.258 1.00 0.00 C ATOM 469 C VAL A 73 -41.097 -14.715 18.611 1.00 0.00 C ATOM 470 O VAL A 73 -42.057 -15.307 19.105 1.00 0.00 O ATOM 471 CB VAL A 73 -39.188 -15.854 17.477 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.347 -16.990 18.475 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.639 -16.369 16.154 1.00 0.00 C ATOM 0 H VAL A 73 -39.423 -13.654 16.273 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.228 -15.818 16.773 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.475 -15.139 17.888 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.387 -17.487 18.617 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.693 -16.591 19.428 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.075 -17.708 18.096 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.689 -16.875 16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.349 -17.069 15.714 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.486 -15.532 15.473 1.00 0.00 H new ATOM 483 N TYR A 74 -40.495 -13.690 19.205 1.00 0.00 N ATOM 484 CA TYR A 74 -40.937 -13.192 20.502 1.00 0.00 C ATOM 485 C TYR A 74 -42.434 -12.895 20.491 1.00 0.00 C ATOM 486 O TYR A 74 -43.148 -13.209 21.443 1.00 0.00 O ATOM 487 CB TYR A 74 -40.158 -11.931 20.879 1.00 0.00 C ATOM 488 CG TYR A 74 -40.303 -11.542 22.333 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.514 -11.082 22.833 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.227 -11.637 23.208 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.650 -10.725 24.161 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.354 -11.284 24.538 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.568 -10.829 25.009 1.00 0.00 C ATOM 494 OH TYR A 74 -40.699 -10.476 26.333 1.00 0.00 O ATOM 0 H TYR A 74 -39.700 -13.188 18.809 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.745 -13.966 21.245 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.102 -12.086 20.657 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.497 -11.104 20.255 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.365 -11.002 22.172 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.275 -11.993 22.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.599 -10.367 24.533 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.508 -11.364 25.205 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.844 -10.609 26.793 1.00 0.00 H new ATOM 504 N VAL A 75 -42.902 -12.287 19.405 1.00 0.00 N ATOM 505 CA VAL A 75 -44.313 -11.949 19.267 1.00 0.00 C ATOM 506 C VAL A 75 -45.174 -13.204 19.188 1.00 0.00 C ATOM 507 O VAL A 75 -46.207 -13.303 19.851 1.00 0.00 O ATOM 508 CB VAL A 75 -44.564 -11.089 18.014 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.055 -10.873 17.804 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.835 -9.758 18.127 1.00 0.00 C ATOM 0 H VAL A 75 -42.324 -12.019 18.608 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.589 -11.377 20.153 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.172 -11.620 17.146 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.213 -10.263 16.914 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.548 -11.837 17.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.475 -10.364 18.672 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.023 -9.163 17.233 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.195 -9.220 19.004 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.764 -9.937 18.225 1.00 0.00 H new ATOM 520 N ARG A 76 -44.742 -14.162 18.374 1.00 0.00 N ATOM 521 CA ARG A 76 -45.474 -15.412 18.208 1.00 0.00 C ATOM 522 C ARG A 76 -45.772 -16.051 19.561 1.00 0.00 C ATOM 523 O ARG A 76 -46.859 -16.586 19.781 1.00 0.00 O ATOM 524 CB ARG A 76 -44.676 -16.384 17.338 1.00 0.00 C ATOM 525 CG ARG A 76 -44.626 -15.988 15.871 1.00 0.00 C ATOM 526 CD ARG A 76 -43.386 -16.540 15.187 1.00 0.00 C ATOM 527 NE ARG A 76 -43.704 -17.641 14.281 1.00 0.00 N ATOM 528 CZ ARG A 76 -44.295 -17.476 13.103 1.00 0.00 C ATOM 529 NH1 ARG A 76 -44.629 -16.262 12.689 1.00 0.00 N ATOM 530 NH2 ARG A 76 -44.552 -18.528 12.335 1.00 0.00 N ATOM 0 H ARG A 76 -43.889 -14.096 17.819 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.420 -15.187 17.715 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.658 -16.451 17.722 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.115 -17.378 17.423 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.517 -16.356 15.363 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.637 -14.901 15.786 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -42.894 -15.743 14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -42.679 -16.884 15.942 1.00 0.00 H new ATOM 0 HE ARG A 76 -43.459 -18.588 14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -44.432 -15.451 13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -45.083 -16.139 11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.296 -19.464 12.649 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -45.006 -18.400 11.431 1.00 0.00 H new ATOM 544 N ARG A 77 -44.799 -15.991 20.465 1.00 0.00 N ATOM 545 CA ARG A 77 -44.956 -16.566 21.796 1.00 0.00 C ATOM 546 C ARG A 77 -46.225 -16.047 22.465 1.00 0.00 C ATOM 547 O ARG A 77 -46.788 -16.700 23.345 1.00 0.00 O ATOM 548 CB ARG A 77 -43.739 -16.239 22.663 1.00 0.00 C ATOM 549 CG ARG A 77 -42.507 -17.059 22.317 1.00 0.00 C ATOM 550 CD ARG A 77 -41.361 -16.774 23.275 1.00 0.00 C ATOM 551 NE ARG A 77 -41.215 -17.823 24.281 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.167 -17.925 25.090 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.178 -17.045 25.013 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.106 -18.908 25.979 1.00 0.00 N ATOM 0 H ARG A 77 -43.894 -15.550 20.300 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.038 -17.648 21.690 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.502 -15.180 22.557 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.994 -16.406 23.710 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.754 -18.120 22.349 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.194 -16.835 21.297 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.433 -16.680 22.712 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.532 -15.818 23.770 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.959 -18.515 24.367 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.221 -16.288 24.331 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.374 -17.126 25.636 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -40.865 -19.587 26.042 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.300 -18.985 26.600 1.00 0.00 H new ATOM 568 N LYS A 78 -46.671 -14.869 22.044 1.00 0.00 N ATOM 569 CA LYS A 78 -47.874 -14.261 22.601 1.00 0.00 C ATOM 570 C LYS A 78 -49.122 -14.780 21.895 1.00 0.00 C ATOM 571 O LYS A 78 -50.079 -15.207 22.540 1.00 0.00 O ATOM 572 CB LYS A 78 -47.803 -12.737 22.481 1.00 0.00 C ATOM 573 CG LYS A 78 -47.626 -12.029 23.813 1.00 0.00 C ATOM 574 CD LYS A 78 -46.869 -10.721 23.653 1.00 0.00 C ATOM 575 CE LYS A 78 -47.569 -9.581 24.377 1.00 0.00 C ATOM 576 NZ LYS A 78 -48.227 -8.642 23.426 1.00 0.00 N ATOM 0 H LYS A 78 -46.217 -14.315 21.318 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.934 -14.533 23.655 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.974 -12.471 21.825 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.715 -12.376 22.005 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.603 -11.833 24.255 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.089 -12.679 24.503 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -45.857 -10.835 24.043 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -46.777 -10.479 22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -48.315 -9.988 25.060 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -46.845 -9.036 24.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -48.693 -7.879 23.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.512 -8.234 22.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -48.936 -9.156 22.865 1.00 0.00 H new ATOM 875 N LEU B 52 -11.012 -6.842 8.626 1.00 0.00 N ATOM 876 CA LEU B 52 -12.015 -7.902 8.585 1.00 0.00 C ATOM 877 C LEU B 52 -12.922 -7.841 9.809 1.00 0.00 C ATOM 878 O LEU B 52 -14.106 -7.520 9.701 1.00 0.00 O ATOM 879 CB LEU B 52 -11.336 -9.270 8.506 1.00 0.00 C ATOM 880 CG LEU B 52 -12.263 -10.484 8.568 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.212 -10.493 7.379 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.454 -11.772 8.616 1.00 0.00 C ATOM 0 HA LEU B 52 -12.627 -7.755 7.695 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.768 -9.318 7.577 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.618 -9.344 9.322 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.856 -10.417 9.480 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.864 -11.364 7.440 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.817 -9.586 7.389 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.636 -10.535 6.454 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.131 -12.625 8.660 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.834 -11.846 7.722 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.817 -11.769 9.500 1.00 0.00 H new ATOM 894 N ILE B 53 -12.359 -8.151 10.972 1.00 0.00 N ATOM 895 CA ILE B 53 -13.117 -8.128 12.217 1.00 0.00 C ATOM 896 C ILE B 53 -13.757 -6.763 12.446 1.00 0.00 C ATOM 897 O ILE B 53 -14.929 -6.669 12.809 1.00 0.00 O ATOM 898 CB ILE B 53 -12.226 -8.474 13.425 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.507 -9.804 13.191 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.057 -8.531 14.697 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.616 -10.220 14.341 1.00 0.00 C ATOM 0 H ILE B 53 -11.381 -8.421 11.078 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.899 -8.882 12.124 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.475 -7.692 13.540 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.249 -10.583 13.017 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.906 -9.728 12.285 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.413 -8.777 15.542 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.527 -7.562 14.868 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.828 -9.295 14.594 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.139 -11.171 14.106 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.851 -9.460 14.502 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.215 -10.329 15.245 1.00 0.00 H new ATOM 913 N ALA B 54 -12.980 -5.707 12.230 1.00 0.00 N ATOM 914 CA ALA B 54 -13.472 -4.347 12.409 1.00 0.00 C ATOM 915 C ALA B 54 -14.771 -4.128 11.643 1.00 0.00 C ATOM 916 O ALA B 54 -15.811 -3.840 12.234 1.00 0.00 O ATOM 917 CB ALA B 54 -12.419 -3.342 11.965 1.00 0.00 C ATOM 0 H ALA B 54 -12.007 -5.767 11.931 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.677 -4.198 13.469 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.800 -2.330 12.104 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.516 -3.475 12.560 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.186 -3.500 10.912 1.00 0.00 H new ATOM 923 N ALA B 55 -14.705 -4.265 10.322 1.00 0.00 N ATOM 924 CA ALA B 55 -15.877 -4.084 9.475 1.00 0.00 C ATOM 925 C ALA B 55 -17.051 -4.916 9.978 1.00 0.00 C ATOM 926 O ALA B 55 -18.205 -4.497 9.888 1.00 0.00 O ATOM 927 CB ALA B 55 -15.548 -4.447 8.035 1.00 0.00 C ATOM 0 H ALA B 55 -13.851 -4.501 9.816 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.166 -3.034 9.516 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.432 -4.307 7.413 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.745 -3.806 7.673 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.231 -5.489 7.986 1.00 0.00 H new ATOM 933 N GLY B 56 -16.750 -6.098 10.506 1.00 0.00 N ATOM 934 CA GLY B 56 -17.793 -6.971 11.015 1.00 0.00 C ATOM 935 C GLY B 56 -18.610 -6.319 12.113 1.00 0.00 C ATOM 936 O GLY B 56 -19.831 -6.208 12.005 1.00 0.00 O ATOM 0 H GLY B 56 -15.803 -6.467 10.591 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.453 -7.258 10.197 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.342 -7.887 11.397 1.00 0.00 H new ATOM 940 N VAL B 57 -17.935 -5.889 13.174 1.00 0.00 N ATOM 941 CA VAL B 57 -18.607 -5.246 14.297 1.00 0.00 C ATOM 942 C VAL B 57 -19.254 -3.933 13.872 1.00 0.00 C ATOM 943 O VAL B 57 -20.337 -3.583 14.342 1.00 0.00 O ATOM 944 CB VAL B 57 -17.627 -4.971 15.454 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.377 -4.482 16.684 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.818 -6.219 15.774 1.00 0.00 C ATOM 0 H VAL B 57 -16.924 -5.974 13.280 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.380 -5.934 14.640 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.936 -4.187 15.144 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.669 -4.293 17.491 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.908 -3.561 16.444 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.092 -5.241 17.000 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.131 -6.007 16.593 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.492 -7.025 16.065 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.251 -6.520 14.894 1.00 0.00 H new ATOM 956 N ILE B 58 -18.584 -3.211 12.980 1.00 0.00 N ATOM 957 CA ILE B 58 -19.096 -1.937 12.489 1.00 0.00 C ATOM 958 C ILE B 58 -20.386 -2.130 11.700 1.00 0.00 C ATOM 959 O ILE B 58 -21.364 -1.414 11.905 1.00 0.00 O ATOM 960 CB ILE B 58 -18.063 -1.222 11.598 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.824 -0.848 12.415 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.679 0.016 10.963 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.711 -0.249 11.584 1.00 0.00 C ATOM 0 H ILE B 58 -17.686 -3.486 12.583 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.298 -1.319 13.364 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.758 -1.902 10.802 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.111 -0.137 13.190 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.450 -1.738 12.921 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.937 0.511 10.336 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.534 -0.275 10.352 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -19.008 0.700 11.745 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.865 -0.008 12.228 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.397 -0.966 10.826 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -16.068 0.660 11.099 1.00 0.00 H new ATOM 975 N GLY B 59 -20.380 -3.105 10.795 1.00 0.00 N ATOM 976 CA GLY B 59 -21.556 -3.376 9.989 1.00 0.00 C ATOM 977 C GLY B 59 -22.773 -3.701 10.831 1.00 0.00 C ATOM 978 O GLY B 59 -23.833 -3.101 10.660 1.00 0.00 O ATOM 0 H GLY B 59 -19.582 -3.711 10.606 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.772 -2.510 9.364 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.349 -4.210 9.318 1.00 0.00 H new ATOM 982 N GLY B 60 -22.623 -4.658 11.742 1.00 0.00 N ATOM 983 CA GLY B 60 -23.728 -5.047 12.599 1.00 0.00 C ATOM 984 C GLY B 60 -24.280 -3.883 13.398 1.00 0.00 C ATOM 985 O GLY B 60 -25.495 -3.740 13.542 1.00 0.00 O ATOM 0 H GLY B 60 -21.756 -5.171 11.902 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.524 -5.475 11.989 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.396 -5.828 13.283 1.00 0.00 H new ATOM 989 N LEU B 61 -23.387 -3.050 13.921 1.00 0.00 N ATOM 990 CA LEU B 61 -23.791 -1.893 14.712 1.00 0.00 C ATOM 991 C LEU B 61 -24.481 -0.850 13.838 1.00 0.00 C ATOM 992 O LEU B 61 -25.644 -0.511 14.058 1.00 0.00 O ATOM 993 CB LEU B 61 -22.575 -1.272 15.402 1.00 0.00 C ATOM 994 CG LEU B 61 -22.052 -2.014 16.633 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.702 -1.456 17.058 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.052 -1.924 17.776 1.00 0.00 C ATOM 0 H LEU B 61 -22.378 -3.154 13.812 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.498 -2.231 15.470 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.766 -1.200 14.675 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.830 -0.254 15.697 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.923 -3.065 16.373 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.345 -1.996 17.935 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.987 -1.574 16.244 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.805 -0.398 17.300 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.663 -2.458 18.643 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.214 -0.878 18.036 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.997 -2.372 17.469 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.757 -0.347 12.843 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.299 0.657 11.935 1.00 0.00 C ATOM 1010 C PHE B 62 -25.636 0.201 11.357 1.00 0.00 C ATOM 1011 O PHE B 62 -26.648 0.892 11.486 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.310 0.937 10.802 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.772 2.008 9.855 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.319 3.187 10.334 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.658 1.835 8.485 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.745 4.174 9.465 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.081 2.819 7.611 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.626 3.989 8.102 1.00 0.00 C ATOM 0 H PHE B 62 -22.794 -0.618 12.645 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.461 1.574 12.501 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.352 1.231 11.231 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.140 0.017 10.243 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.414 3.337 11.399 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.234 0.921 8.096 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.170 5.088 9.852 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.985 2.673 6.545 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.959 4.758 7.421 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.632 -0.965 10.720 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.843 -1.513 10.122 1.00 0.00 C ATOM 1030 C ILE B 63 -27.980 -1.569 11.138 1.00 0.00 C ATOM 1031 O ILE B 63 -29.130 -1.270 10.816 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.603 -2.925 9.558 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.624 -2.869 8.384 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.920 -3.554 9.127 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.173 -2.148 7.173 1.00 0.00 C ATOM 0 H ILE B 63 -24.803 -1.549 10.605 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.121 -0.847 9.305 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.166 -3.544 10.342 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.709 -2.373 8.708 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.352 -3.885 8.099 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.734 -4.552 8.730 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.588 -3.623 9.985 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.382 -2.938 8.356 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.425 -2.147 6.380 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.072 -2.656 6.823 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.418 -1.120 7.442 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.650 -1.953 12.366 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.642 -2.048 13.431 1.00 0.00 C ATOM 1049 C LEU B 64 -29.147 -0.664 13.829 1.00 0.00 C ATOM 1050 O LEU B 64 -30.323 -0.489 14.148 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.046 -2.756 14.649 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.116 -4.283 14.638 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.269 -4.864 15.760 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.558 -4.752 14.758 1.00 0.00 C ATOM 0 H LEU B 64 -26.703 -2.204 12.649 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.485 -2.629 13.058 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -27.001 -2.461 14.740 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.558 -2.395 15.541 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.718 -4.639 13.688 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.331 -5.952 15.737 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.231 -4.557 15.629 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.637 -4.500 16.719 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.588 -5.842 14.748 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.983 -4.385 15.692 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.137 -4.366 13.919 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.250 0.317 13.805 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.605 1.686 14.160 1.00 0.00 C ATOM 1068 C VAL B 65 -29.709 2.219 13.255 1.00 0.00 C ATOM 1069 O VAL B 65 -30.682 2.809 13.727 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.386 2.622 14.071 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.788 4.055 14.389 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.282 2.150 15.006 1.00 0.00 C ATOM 0 H VAL B 65 -27.272 0.189 13.543 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.962 1.664 15.190 1.00 0.00 H new ATOM 0 HB VAL B 65 -27.003 2.595 13.051 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.913 4.702 14.321 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.542 4.388 13.676 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.197 4.103 15.398 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.428 2.823 14.930 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.651 2.146 16.032 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.975 1.142 14.727 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.553 2.008 11.952 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.538 2.467 10.981 1.00 0.00 C ATOM 1084 C ILE B 66 -31.864 1.733 11.154 1.00 0.00 C ATOM 1085 O ILE B 66 -32.908 2.354 11.350 1.00 0.00 O ATOM 1086 CB ILE B 66 -30.039 2.270 9.537 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.674 2.936 9.351 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -31.048 2.832 8.547 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.580 1.970 8.952 1.00 0.00 C ATOM 0 H ILE B 66 -28.754 1.522 11.545 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.688 3.531 11.163 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.930 1.202 9.348 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.758 3.712 8.590 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.390 3.430 10.280 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.681 2.685 7.531 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -32.001 2.317 8.667 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.186 3.897 8.733 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.641 2.511 8.838 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.468 1.208 9.723 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.842 1.494 8.007 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.813 0.407 11.081 1.00 0.00 N ATOM 1102 CA VAL B 67 -33.009 -0.413 11.232 1.00 0.00 C ATOM 1103 C VAL B 67 -33.730 -0.098 12.537 1.00 0.00 C ATOM 1104 O VAL B 67 -34.924 0.198 12.543 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.668 -1.915 11.197 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.926 -2.752 11.373 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.960 -2.269 9.898 1.00 0.00 C ATOM 0 H VAL B 67 -30.956 -0.122 10.918 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.663 -0.176 10.392 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.994 -2.137 12.024 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.666 -3.810 11.346 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.388 -2.517 12.332 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.626 -2.530 10.568 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.726 -3.334 9.889 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.608 -2.033 9.054 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -31.037 -1.694 9.818 1.00 0.00 H new