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 76:sc= 1.27 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 -11.960 -9.872 2.248 1.00 0.00 N ATOM 142 CA PRO A 51 -12.527 -10.198 3.560 1.00 0.00 C ATOM 143 C PRO A 51 -13.195 -8.996 4.218 1.00 0.00 C ATOM 144 O PRO A 51 -14.263 -9.118 4.819 1.00 0.00 O ATOM 145 CB PRO A 51 -11.309 -10.645 4.372 1.00 0.00 C ATOM 146 CG PRO A 51 -10.152 -9.965 3.725 1.00 0.00 C ATOM 147 CD PRO A 51 -10.487 -9.882 2.261 1.00 0.00 C ATOM 0 HA PRO A 51 -13.309 -10.954 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.403 -10.356 5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.194 -11.729 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.997 -8.972 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.231 -10.526 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.075 -8.982 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.086 -10.732 1.708 1.00 0.00 H new ATOM 155 N LEU A 52 -12.561 -7.835 4.100 1.00 0.00 N ATOM 156 CA LEU A 52 -13.094 -6.609 4.684 1.00 0.00 C ATOM 157 C LEU A 52 -14.536 -6.377 4.241 1.00 0.00 C ATOM 158 O LEU A 52 -15.464 -6.469 5.045 1.00 0.00 O ATOM 159 CB LEU A 52 -12.228 -5.412 4.286 1.00 0.00 C ATOM 160 CG LEU A 52 -12.721 -4.042 4.752 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.748 -3.973 6.271 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.844 -2.937 4.181 1.00 0.00 C ATOM 0 H LEU A 52 -11.677 -7.716 3.605 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.079 -6.716 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.224 -5.568 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.144 -5.395 3.199 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.737 -3.898 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.101 -2.991 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.418 -4.740 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.744 -4.138 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.210 -1.969 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.817 -3.077 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.876 -2.973 3.092 1.00 0.00 H new ATOM 174 N ILE A 53 -14.715 -6.079 2.959 1.00 0.00 N ATOM 175 CA ILE A 53 -16.043 -5.838 2.410 1.00 0.00 C ATOM 176 C ILE A 53 -16.968 -7.023 2.669 1.00 0.00 C ATOM 177 O ILE A 53 -18.115 -6.850 3.081 1.00 0.00 O ATOM 178 CB ILE A 53 -15.986 -5.568 0.895 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.000 -4.437 0.594 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.370 -5.227 0.364 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.897 -4.101 -0.878 1.00 0.00 C ATOM 0 H ILE A 53 -13.957 -5.999 2.281 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.437 -4.955 2.913 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.639 -6.471 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.304 -3.545 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.014 -4.717 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.312 -5.039 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.047 -6.061 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.744 -4.336 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.181 -3.291 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.563 -4.980 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.873 -3.789 -1.249 1.00 0.00 H new ATOM 193 N ALA A 54 -16.461 -8.227 2.425 1.00 0.00 N ATOM 194 CA ALA A 54 -17.240 -9.441 2.636 1.00 0.00 C ATOM 195 C ALA A 54 -17.845 -9.469 4.035 1.00 0.00 C ATOM 196 O ALA A 54 -19.065 -9.488 4.193 1.00 0.00 O ATOM 197 CB ALA A 54 -16.372 -10.670 2.409 1.00 0.00 C ATOM 0 H ALA A 54 -15.514 -8.388 2.081 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.058 -9.449 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.966 -11.570 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.992 -10.664 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.535 -10.658 3.107 1.00 0.00 H new ATOM 203 N ALA A 55 -16.984 -9.472 5.047 1.00 0.00 N ATOM 204 CA ALA A 55 -17.435 -9.497 6.433 1.00 0.00 C ATOM 205 C ALA A 55 -18.458 -8.398 6.697 1.00 0.00 C ATOM 206 O ALA A 55 -19.381 -8.573 7.492 1.00 0.00 O ATOM 207 CB ALA A 55 -16.249 -9.354 7.376 1.00 0.00 C ATOM 0 H ALA A 55 -15.970 -9.457 4.933 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.917 -10.457 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.600 -9.374 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.553 -10.177 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.743 -8.408 7.183 1.00 0.00 H new ATOM 213 N GLY A 56 -18.289 -7.263 6.025 1.00 0.00 N ATOM 214 CA GLY A 56 -19.205 -6.152 6.202 1.00 0.00 C ATOM 215 C GLY A 56 -20.635 -6.519 5.856 1.00 0.00 C ATOM 216 O GLY A 56 -21.535 -6.389 6.685 1.00 0.00 O ATOM 0 H GLY A 56 -17.534 -7.094 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.161 -5.810 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.886 -5.318 5.577 1.00 0.00 H new ATOM 220 N VAL A 57 -20.845 -6.977 4.626 1.00 0.00 N ATOM 221 CA VAL A 57 -22.175 -7.363 4.171 1.00 0.00 C ATOM 222 C VAL A 57 -22.703 -8.553 4.964 1.00 0.00 C ATOM 223 O VAL A 57 -23.895 -8.634 5.261 1.00 0.00 O ATOM 224 CB VAL A 57 -22.175 -7.718 2.672 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.596 -7.931 2.173 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.476 -6.632 1.868 1.00 0.00 C ATOM 0 H VAL A 57 -20.111 -7.090 3.927 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.826 -6.504 4.333 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.625 -8.649 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.576 -8.181 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.058 -8.747 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.174 -7.018 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.485 -6.899 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.996 -5.684 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.445 -6.534 2.209 1.00 0.00 H new ATOM 236 N ILE A 58 -21.808 -9.475 5.303 1.00 0.00 N ATOM 237 CA ILE A 58 -22.184 -10.660 6.063 1.00 0.00 C ATOM 238 C ILE A 58 -22.667 -10.287 7.461 1.00 0.00 C ATOM 239 O ILE A 58 -23.724 -10.735 7.904 1.00 0.00 O ATOM 240 CB ILE A 58 -21.008 -11.647 6.185 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.620 -12.185 4.807 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.370 -12.789 7.123 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.403 -13.083 4.829 1.00 0.00 C ATOM 0 H ILE A 58 -20.818 -9.424 5.063 1.00 0.00 H new ATOM 0 HA ILE A 58 -22.996 -11.140 5.517 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.151 -11.118 6.602 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.462 -12.738 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.430 -11.345 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.529 -13.478 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.602 -12.389 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.239 -13.319 6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.187 -13.427 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.548 -12.528 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.596 -13.942 5.471 1.00 0.00 H new ATOM 255 N GLY A 59 -21.886 -9.461 8.150 1.00 0.00 N ATOM 256 CA GLY A 59 -22.251 -9.040 9.490 1.00 0.00 C ATOM 257 C GLY A 59 -23.618 -8.386 9.540 1.00 0.00 C ATOM 258 O GLY A 59 -24.475 -8.783 10.328 1.00 0.00 O ATOM 0 H GLY A 59 -21.007 -9.076 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.240 -9.904 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.503 -8.341 9.864 1.00 0.00 H new ATOM 262 N GLY A 60 -23.823 -7.380 8.695 1.00 0.00 N ATOM 263 CA GLY A 60 -25.096 -6.685 8.664 1.00 0.00 C ATOM 264 C GLY A 60 -26.262 -7.622 8.416 1.00 0.00 C ATOM 265 O GLY A 60 -27.312 -7.500 9.049 1.00 0.00 O ATOM 0 H GLY A 60 -23.130 -7.034 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.246 -6.166 9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.072 -5.925 7.883 1.00 0.00 H new ATOM 269 N LEU A 61 -26.080 -8.559 7.492 1.00 0.00 N ATOM 270 CA LEU A 61 -27.126 -9.520 7.160 1.00 0.00 C ATOM 271 C LEU A 61 -27.369 -10.481 8.319 1.00 0.00 C ATOM 272 O LEU A 61 -28.479 -10.568 8.845 1.00 0.00 O ATOM 273 CB LEU A 61 -26.745 -10.305 5.903 1.00 0.00 C ATOM 274 CG LEU A 61 -26.879 -9.555 4.578 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.203 -10.328 3.456 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.345 -9.309 4.250 1.00 0.00 C ATOM 0 H LEU A 61 -25.218 -8.674 6.959 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.046 -8.967 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.712 -10.638 6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.366 -11.200 5.856 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.382 -8.590 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.309 -9.779 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.145 -10.452 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.670 -11.308 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.421 -8.774 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.865 -10.264 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.800 -8.713 5.041 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.201 8.714 1.00 0.00 N ATOM 289 CA PHE A 62 -26.423 -12.155 9.812 1.00 0.00 C ATOM 290 C PHE A 62 -27.039 -11.502 11.046 1.00 0.00 C ATOM 291 O PHE A 62 -28.031 -11.989 11.589 1.00 0.00 O ATOM 292 CB PHE A 62 -25.042 -12.717 10.155 1.00 0.00 C ATOM 293 CG PHE A 62 -25.068 -13.746 11.248 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.031 -14.742 11.258 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.129 -13.718 12.267 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.057 -15.691 12.262 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.150 -14.664 13.274 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.116 -15.651 13.272 1.00 0.00 C ATOM 0 H PHE A 62 -25.398 -11.142 8.290 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.070 -12.972 9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.607 -13.161 9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.389 -11.897 10.454 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.770 -14.777 10.472 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.372 -12.948 12.274 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.812 -16.463 12.257 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.412 -14.632 14.062 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.135 -16.390 14.059 1.00 0.00 H new ATOM 308 N ILE A 63 -26.444 -10.398 11.483 1.00 0.00 N ATOM 309 CA ILE A 63 -26.933 -9.678 12.652 1.00 0.00 C ATOM 310 C ILE A 63 -28.420 -9.365 12.522 1.00 0.00 C ATOM 311 O ILE A 63 -29.186 -9.531 13.472 1.00 0.00 O ATOM 312 CB ILE A 63 -26.161 -8.363 12.868 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.711 -8.656 13.258 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.842 -7.518 13.934 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.570 -9.301 14.619 1.00 0.00 C ATOM 0 H ILE A 63 -25.622 -9.982 11.045 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.774 -10.328 13.512 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.160 -7.802 11.934 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.266 -9.309 12.507 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.145 -7.725 13.246 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.285 -6.592 14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.859 -7.285 13.619 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.871 -8.071 14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.516 -9.480 14.829 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.985 -8.640 15.380 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.108 -10.249 14.630 1.00 0.00 H new ATOM 327 N LEU A 64 -28.823 -8.913 11.340 1.00 0.00 N ATOM 328 CA LEU A 64 -30.219 -8.579 11.083 1.00 0.00 C ATOM 329 C LEU A 64 -31.094 -9.828 11.121 1.00 0.00 C ATOM 330 O LEU A 64 -32.237 -9.785 11.577 1.00 0.00 O ATOM 331 CB LEU A 64 -30.358 -7.886 9.727 1.00 0.00 C ATOM 332 CG LEU A 64 -29.914 -6.424 9.671 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.774 -5.963 8.229 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.899 -5.539 10.422 1.00 0.00 C ATOM 0 H LEU A 64 -28.202 -8.769 10.544 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.554 -7.899 11.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.781 -8.448 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.402 -7.940 9.420 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.940 -6.341 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.457 -4.920 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.031 -6.578 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.734 -6.060 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.568 -4.502 10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.886 -5.627 9.968 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.950 -5.854 11.464 1.00 0.00 H new ATOM 346 N VAL A 65 -30.549 -10.940 10.640 1.00 0.00 N ATOM 347 CA VAL A 65 -31.279 -12.203 10.621 1.00 0.00 C ATOM 348 C VAL A 65 -31.718 -12.605 12.025 1.00 0.00 C ATOM 349 O VAL A 65 -32.868 -12.988 12.240 1.00 0.00 O ATOM 350 CB VAL A 65 -30.426 -13.335 10.018 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.176 -14.657 10.074 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.027 -12.998 8.589 1.00 0.00 C ATOM 0 H VAL A 65 -29.605 -10.993 10.258 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.160 -12.050 9.998 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.517 -13.436 10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.558 -15.445 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.405 -14.902 11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.103 -14.573 9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.425 -13.809 8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.923 -12.868 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.447 -12.075 8.581 1.00 0.00 H new ATOM 362 N ILE A 66 -30.794 -12.514 12.976 1.00 0.00 N ATOM 363 CA ILE A 66 -31.087 -12.866 14.360 1.00 0.00 C ATOM 364 C ILE A 66 -32.105 -11.907 14.968 1.00 0.00 C ATOM 365 O ILE A 66 -33.161 -12.325 15.443 1.00 0.00 O ATOM 366 CB ILE A 66 -29.812 -12.859 15.224 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.741 -13.755 14.599 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.130 -13.314 16.641 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.471 -13.017 14.239 1.00 0.00 C ATOM 0 H ILE A 66 -29.837 -12.200 12.814 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.503 -13.873 14.348 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.426 -11.840 15.268 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.500 -14.559 15.295 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.147 -14.221 13.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.219 -13.304 17.239 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.863 -12.639 17.084 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.536 -14.325 16.616 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.757 -13.714 13.801 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.699 -12.231 13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.041 -12.573 15.137 1.00 0.00 H new ATOM 381 N VAL A 67 -31.781 -10.618 14.949 1.00 0.00 N ATOM 382 CA VAL A 67 -32.668 -9.599 15.496 1.00 0.00 C ATOM 383 C VAL A 67 -34.063 -9.700 14.888 1.00 0.00 C ATOM 384 O VAL A 67 -35.058 -9.797 15.604 1.00 0.00 O ATOM 385 CB VAL A 67 -32.115 -8.183 15.249 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.975 -7.143 15.952 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.668 -8.089 15.710 1.00 0.00 C ATOM 0 H VAL A 67 -30.911 -10.255 14.561 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.729 -9.776 16.570 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.146 -7.981 14.178 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.569 -6.149 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.995 -7.196 15.570 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.979 -7.339 17.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.293 -7.082 15.528 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.611 -8.311 16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.063 -8.807 15.157 1.00 0.00 H new ATOM 397 N GLY A 68 -34.127 -9.678 13.560 1.00 0.00 N ATOM 398 CA GLY A 68 -35.404 -9.769 12.877 1.00 0.00 C ATOM 399 C GLY A 68 -36.227 -10.954 13.343 1.00 0.00 C ATOM 400 O GLY A 68 -37.356 -10.790 13.809 1.00 0.00 O ATOM 0 H GLY A 68 -33.317 -9.599 12.945 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.968 -8.851 13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.234 -9.848 11.803 1.00 0.00 H new ATOM 404 N LEU A 69 -35.664 -12.150 13.216 1.00 0.00 N ATOM 405 CA LEU A 69 -36.355 -13.368 13.626 1.00 0.00 C ATOM 406 C LEU A 69 -36.745 -13.303 15.099 1.00 0.00 C ATOM 407 O LEU A 69 -37.867 -13.646 15.472 1.00 0.00 O ATOM 408 CB LEU A 69 -35.469 -14.589 13.375 1.00 0.00 C ATOM 409 CG LEU A 69 -35.337 -15.035 11.918 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.428 -16.249 11.811 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.707 -15.338 11.328 1.00 0.00 C ATOM 0 H LEU A 69 -34.731 -12.303 12.833 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.264 -13.458 13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.472 -14.375 13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.862 -15.424 13.955 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.889 -14.221 11.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.346 -16.552 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.439 -15.998 12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.846 -17.069 12.395 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.595 -15.654 10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.182 -16.135 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.327 -14.443 11.369 1.00 0.00 H new ATOM 423 N THR A 70 -35.811 -12.858 15.934 1.00 0.00 N ATOM 424 CA THR A 70 -36.056 -12.746 17.367 1.00 0.00 C ATOM 425 C THR A 70 -37.337 -11.967 17.646 1.00 0.00 C ATOM 426 O THR A 70 -38.069 -12.274 18.587 1.00 0.00 O ATOM 427 CB THR A 70 -34.882 -12.056 18.086 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.712 -12.878 18.012 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.225 -11.784 19.543 1.00 0.00 C ATOM 0 H THR A 70 -34.877 -12.569 15.642 1.00 0.00 H new ATOM 0 HA THR A 70 -36.160 -13.761 17.750 1.00 0.00 H new ATOM 0 HB THR A 70 -34.689 -11.104 17.591 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.330 -12.823 17.111 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.381 -11.296 20.031 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.099 -11.135 19.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.441 -12.726 20.048 1.00 0.00 H new ATOM 437 N PHE A 71 -37.602 -10.959 16.822 1.00 0.00 N ATOM 438 CA PHE A 71 -38.795 -10.135 16.981 1.00 0.00 C ATOM 439 C PHE A 71 -40.046 -10.905 16.568 1.00 0.00 C ATOM 440 O PHE A 71 -41.040 -10.929 17.293 1.00 0.00 O ATOM 441 CB PHE A 71 -38.672 -8.857 16.150 1.00 0.00 C ATOM 442 CG PHE A 71 -39.832 -7.918 16.319 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.983 -8.074 15.564 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.771 -6.878 17.233 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.052 -7.212 15.717 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.838 -6.014 17.392 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.979 -6.180 16.632 1.00 0.00 C ATOM 0 H PHE A 71 -37.007 -10.693 16.037 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.885 -9.868 18.034 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.753 -8.340 16.427 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.582 -9.125 15.097 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.046 -8.879 14.847 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.880 -6.741 17.828 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.943 -7.345 15.122 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.779 -5.210 18.110 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.813 -5.504 16.753 1.00 0.00 H new ATOM 457 N ALA A 72 -39.988 -11.532 15.398 1.00 0.00 N ATOM 458 CA ALA A 72 -41.115 -12.304 14.889 1.00 0.00 C ATOM 459 C ALA A 72 -41.399 -13.512 15.775 1.00 0.00 C ATOM 460 O ALA A 72 -42.523 -14.013 15.818 1.00 0.00 O ATOM 461 CB ALA A 72 -40.847 -12.748 13.458 1.00 0.00 C ATOM 0 H ALA A 72 -39.173 -11.521 14.785 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.997 -11.663 14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.697 -13.323 13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.702 -11.872 12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.950 -13.367 13.431 1.00 0.00 H new ATOM 467 N VAL A 73 -40.373 -13.975 16.482 1.00 0.00 N ATOM 468 CA VAL A 73 -40.512 -15.125 17.369 1.00 0.00 C ATOM 469 C VAL A 73 -41.068 -14.707 18.726 1.00 0.00 C ATOM 470 O VAL A 73 -41.976 -15.346 19.259 1.00 0.00 O ATOM 471 CB VAL A 73 -39.164 -15.840 17.576 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.317 -16.992 18.558 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.612 -16.331 16.247 1.00 0.00 C ATOM 0 H VAL A 73 -39.436 -13.572 16.458 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.209 -15.813 16.890 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.454 -15.127 17.996 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.355 -17.486 18.692 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.665 -16.609 19.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.041 -17.708 18.169 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.659 -16.834 16.412 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.317 -17.029 15.796 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.464 -15.483 15.579 1.00 0.00 H new ATOM 483 N TYR A 74 -40.518 -13.633 19.279 1.00 0.00 N ATOM 484 CA TYR A 74 -40.957 -13.131 20.576 1.00 0.00 C ATOM 485 C TYR A 74 -42.449 -12.811 20.559 1.00 0.00 C ATOM 486 O TYR A 74 -43.171 -13.113 21.509 1.00 0.00 O ATOM 487 CB TYR A 74 -40.161 -11.882 20.959 1.00 0.00 C ATOM 488 CG TYR A 74 -40.289 -11.507 22.418 1.00 0.00 C ATOM 489 CD1 TYR A 74 -40.070 -12.447 23.418 1.00 0.00 C ATOM 490 CD2 TYR A 74 -40.628 -10.214 22.797 1.00 0.00 C ATOM 491 CE1 TYR A 74 -40.186 -12.109 24.753 1.00 0.00 C ATOM 492 CE2 TYR A 74 -40.745 -9.868 24.129 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.523 -10.819 25.103 1.00 0.00 C ATOM 494 OH TYR A 74 -40.639 -10.477 26.431 1.00 0.00 O ATOM 0 H TYR A 74 -39.767 -13.092 18.850 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.779 -13.909 21.318 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.109 -12.046 20.725 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.497 -11.045 20.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -39.805 -13.458 23.147 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -40.803 -9.467 22.037 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -40.014 -12.852 25.518 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.009 -8.858 24.406 1.00 0.00 H new ATOM 0 HH TYR A 74 -40.881 -9.530 26.505 1.00 0.00 H new ATOM 504 N VAL A 75 -42.905 -12.199 19.470 1.00 0.00 N ATOM 505 CA VAL A 75 -44.310 -11.839 19.327 1.00 0.00 C ATOM 506 C VAL A 75 -45.188 -13.082 19.225 1.00 0.00 C ATOM 507 O VAL A 75 -46.214 -13.186 19.897 1.00 0.00 O ATOM 508 CB VAL A 75 -44.540 -10.959 18.085 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.024 -10.687 17.890 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.763 -9.657 18.203 1.00 0.00 C ATOM 0 H VAL A 75 -42.321 -11.942 18.674 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.585 -11.275 20.219 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.175 -11.496 17.209 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.167 -10.064 17.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.552 -11.631 17.757 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.418 -10.171 18.766 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.937 -9.048 17.316 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.095 -9.114 19.088 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.699 -9.875 18.290 1.00 0.00 H new ATOM 520 N ARG A 76 -44.776 -14.023 18.382 1.00 0.00 N ATOM 521 CA ARG A 76 -45.526 -15.259 18.191 1.00 0.00 C ATOM 522 C ARG A 76 -45.782 -15.950 19.527 1.00 0.00 C ATOM 523 O ARG A 76 -46.835 -16.553 19.734 1.00 0.00 O ATOM 524 CB ARG A 76 -44.767 -16.201 17.254 1.00 0.00 C ATOM 525 CG ARG A 76 -44.819 -15.780 15.795 1.00 0.00 C ATOM 526 CD ARG A 76 -45.764 -16.662 14.994 1.00 0.00 C ATOM 527 NE ARG A 76 -45.541 -16.539 13.556 1.00 0.00 N ATOM 528 CZ ARG A 76 -46.362 -17.039 12.639 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.455 -17.691 13.009 1.00 0.00 N ATOM 530 NH2 ARG A 76 -46.090 -16.886 11.349 1.00 0.00 N ATOM 0 H ARG A 76 -43.927 -13.953 17.820 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.487 -15.007 17.742 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.726 -16.254 17.571 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.181 -17.205 17.349 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.143 -14.741 15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.819 -15.831 15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.631 -17.702 15.294 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.795 -16.393 15.225 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.709 -16.042 13.238 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.667 -17.810 14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.084 -18.074 12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -45.250 -16.384 11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.721 -17.270 10.646 1.00 0.00 H new ATOM 544 N ARG A 77 -44.811 -15.860 20.430 1.00 0.00 N ATOM 545 CA ARG A 77 -44.931 -16.478 21.745 1.00 0.00 C ATOM 546 C ARG A 77 -46.176 -15.976 22.471 1.00 0.00 C ATOM 547 O ARG A 77 -46.694 -16.640 23.369 1.00 0.00 O ATOM 548 CB ARG A 77 -43.686 -16.186 22.585 1.00 0.00 C ATOM 549 CG ARG A 77 -42.433 -16.885 22.081 1.00 0.00 C ATOM 550 CD ARG A 77 -42.440 -18.364 22.436 1.00 0.00 C ATOM 551 NE ARG A 77 -42.247 -18.584 23.866 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.092 -18.383 24.491 1.00 0.00 C ATOM 553 NH1 ARG A 77 -40.033 -17.959 23.815 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.994 -18.606 25.796 1.00 0.00 N ATOM 0 H ARG A 77 -43.933 -15.365 20.275 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.023 -17.555 21.605 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.511 -15.110 22.598 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.873 -16.491 23.615 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.360 -16.769 21.000 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.552 -16.410 22.512 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -43.386 -18.807 22.126 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.652 -18.874 21.881 1.00 0.00 H new ATOM 0 HE ARG A 77 -43.042 -18.910 24.415 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -40.104 -17.786 22.812 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -39.148 -17.806 24.298 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -41.806 -18.932 26.320 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.107 -18.451 26.275 1.00 0.00 H new ATOM 568 N LYS A 78 -46.650 -14.799 22.076 1.00 0.00 N ATOM 569 CA LYS A 78 -47.834 -14.207 22.687 1.00 0.00 C ATOM 570 C LYS A 78 -49.108 -14.787 22.078 1.00 0.00 C ATOM 571 O LYS A 78 -50.116 -14.950 22.764 1.00 0.00 O ATOM 572 CB LYS A 78 -47.818 -12.687 22.511 1.00 0.00 C ATOM 573 CG LYS A 78 -47.766 -11.924 23.823 1.00 0.00 C ATOM 574 CD LYS A 78 -47.305 -10.491 23.616 1.00 0.00 C ATOM 575 CE LYS A 78 -46.121 -10.151 24.508 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.549 -9.474 25.763 1.00 0.00 N ATOM 0 H LYS A 78 -46.232 -14.236 21.335 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.820 -14.443 23.751 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.956 -12.409 21.904 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.708 -12.384 21.959 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.753 -11.927 24.286 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.089 -12.429 24.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.029 -10.344 22.572 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.128 -9.809 23.827 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.578 -11.063 24.754 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.430 -9.506 23.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.713 -9.259 26.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.045 -8.590 25.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.188 -10.099 26.294 1.00 0.00 H new ATOM 875 N LEU B 52 -10.959 -7.001 8.671 1.00 0.00 N ATOM 876 CA LEU B 52 -11.974 -8.047 8.597 1.00 0.00 C ATOM 877 C LEU B 52 -12.891 -8.003 9.816 1.00 0.00 C ATOM 878 O LEU B 52 -14.069 -7.662 9.706 1.00 0.00 O ATOM 879 CB LEU B 52 -11.312 -9.422 8.492 1.00 0.00 C ATOM 880 CG LEU B 52 -12.257 -10.624 8.496 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.176 -10.585 7.285 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.466 -11.924 8.526 1.00 0.00 C ATOM 0 HA LEU B 52 -12.576 -7.872 7.705 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.724 -9.451 7.575 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.614 -9.531 9.322 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.872 -10.575 9.395 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.841 -11.448 7.305 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.768 -9.670 7.307 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.578 -10.609 6.374 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.155 -12.769 8.528 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.825 -11.981 7.646 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.851 -11.955 9.425 1.00 0.00 H new ATOM 894 N ILE B 53 -12.342 -8.348 10.975 1.00 0.00 N ATOM 895 CA ILE B 53 -13.110 -8.345 12.214 1.00 0.00 C ATOM 896 C ILE B 53 -13.738 -6.978 12.468 1.00 0.00 C ATOM 897 O ILE B 53 -14.912 -6.880 12.822 1.00 0.00 O ATOM 898 CB ILE B 53 -12.233 -8.726 13.421 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.525 -10.058 13.164 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.076 -8.804 14.685 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.650 -10.509 14.313 1.00 0.00 C ATOM 0 H ILE B 53 -11.369 -8.633 11.082 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.898 -9.089 12.098 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.476 -7.954 13.559 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.273 -10.825 12.965 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.914 -9.968 12.266 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.442 -9.074 15.529 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.539 -7.835 14.874 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.853 -9.558 14.558 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.180 -11.460 14.061 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.879 -9.761 14.499 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.260 -10.632 15.208 1.00 0.00 H new ATOM 913 N ALA B 54 -12.947 -5.926 12.284 1.00 0.00 N ATOM 914 CA ALA B 54 -13.426 -4.565 12.489 1.00 0.00 C ATOM 915 C ALA B 54 -14.716 -4.314 11.714 1.00 0.00 C ATOM 916 O ALA B 54 -15.756 -4.018 12.301 1.00 0.00 O ATOM 917 CB ALA B 54 -12.358 -3.562 12.079 1.00 0.00 C ATOM 0 H ALA B 54 -11.971 -5.990 11.993 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.640 -4.438 13.550 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.730 -2.550 12.237 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.462 -3.718 12.680 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.116 -3.699 11.025 1.00 0.00 H new ATOM 923 N ALA B 55 -14.640 -4.435 10.393 1.00 0.00 N ATOM 924 CA ALA B 55 -15.801 -4.222 9.538 1.00 0.00 C ATOM 925 C ALA B 55 -16.994 -5.040 10.021 1.00 0.00 C ATOM 926 O ALA B 55 -18.138 -4.593 9.942 1.00 0.00 O ATOM 927 CB ALA B 55 -15.467 -4.574 8.096 1.00 0.00 C ATOM 0 H ALA B 55 -13.786 -4.680 9.891 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.071 -3.167 9.589 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.343 -4.410 7.469 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.649 -3.944 7.748 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.169 -5.621 8.037 1.00 0.00 H new ATOM 933 N GLY B 56 -16.720 -6.241 10.521 1.00 0.00 N ATOM 934 CA GLY B 56 -17.782 -7.102 11.008 1.00 0.00 C ATOM 935 C GLY B 56 -18.598 -6.451 12.106 1.00 0.00 C ATOM 936 O GLY B 56 -19.816 -6.316 11.988 1.00 0.00 O ATOM 0 H GLY B 56 -15.781 -6.633 10.598 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.439 -7.367 10.180 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.350 -8.030 11.382 1.00 0.00 H new ATOM 940 N VAL B 57 -17.927 -6.046 13.180 1.00 0.00 N ATOM 941 CA VAL B 57 -18.598 -5.406 14.305 1.00 0.00 C ATOM 942 C VAL B 57 -19.223 -4.079 13.889 1.00 0.00 C ATOM 943 O VAL B 57 -20.305 -3.718 14.354 1.00 0.00 O ATOM 944 CB VAL B 57 -17.625 -5.159 15.473 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.377 -4.671 16.701 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.838 -6.423 15.786 1.00 0.00 C ATOM 0 H VAL B 57 -16.919 -6.150 13.294 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.383 -6.087 14.634 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.919 -4.383 15.178 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.673 -4.502 17.516 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.891 -3.739 16.466 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.107 -5.422 17.003 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.155 -6.231 16.614 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.527 -7.222 16.062 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.267 -6.723 14.907 1.00 0.00 H new ATOM 956 N ILE B 58 -18.535 -3.357 13.011 1.00 0.00 N ATOM 957 CA ILE B 58 -19.024 -2.070 12.532 1.00 0.00 C ATOM 958 C ILE B 58 -20.318 -2.233 11.742 1.00 0.00 C ATOM 959 O ILE B 58 -21.287 -1.509 11.962 1.00 0.00 O ATOM 960 CB ILE B 58 -17.979 -1.367 11.645 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.739 -1.009 12.466 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.578 -0.121 11.008 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.618 -0.416 11.641 1.00 0.00 C ATOM 0 H ILE B 58 -17.638 -3.641 12.617 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.214 -1.456 13.413 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.680 -2.050 10.850 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.021 -0.300 13.244 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.375 -1.905 12.968 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.828 0.365 10.384 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.434 -0.402 10.394 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.902 0.567 11.789 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.772 -0.187 12.289 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.309 -1.132 10.879 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.965 0.498 11.160 1.00 0.00 H new ATOM 975 N GLY B 59 -20.326 -3.192 10.820 1.00 0.00 N ATOM 976 CA GLY B 59 -21.507 -3.434 10.013 1.00 0.00 C ATOM 977 C GLY B 59 -22.727 -3.756 10.852 1.00 0.00 C ATOM 978 O GLY B 59 -23.780 -3.139 10.692 1.00 0.00 O ATOM 0 H GLY B 59 -19.536 -3.805 10.618 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.712 -2.555 9.402 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.312 -4.260 9.329 1.00 0.00 H new ATOM 982 N GLY B 60 -22.587 -4.727 11.750 1.00 0.00 N ATOM 983 CA GLY B 60 -23.696 -5.114 12.602 1.00 0.00 C ATOM 984 C GLY B 60 -24.239 -3.953 13.411 1.00 0.00 C ATOM 985 O GLY B 60 -25.452 -3.807 13.565 1.00 0.00 O ATOM 0 H GLY B 60 -21.726 -5.252 11.902 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.495 -5.529 11.987 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.371 -5.904 13.279 1.00 0.00 H new ATOM 989 N LEU B 61 -23.339 -3.125 13.931 1.00 0.00 N ATOM 990 CA LEU B 61 -23.734 -1.970 14.730 1.00 0.00 C ATOM 991 C LEU B 61 -24.419 -0.917 13.864 1.00 0.00 C ATOM 992 O LEU B 61 -25.581 -0.576 14.086 1.00 0.00 O ATOM 993 CB LEU B 61 -22.513 -1.362 15.422 1.00 0.00 C ATOM 994 CG LEU B 61 -22.004 -2.103 16.659 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.637 -1.579 17.070 1.00 0.00 C ATOM 996 CD2 LEU B 61 -22.996 -1.970 17.806 1.00 0.00 C ATOM 0 H LEU B 61 -22.331 -3.232 13.814 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.442 -2.308 15.487 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.701 -1.305 14.697 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.756 -0.339 15.710 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.905 -3.160 16.411 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.291 -2.118 17.952 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.930 -1.727 16.254 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.709 -0.516 17.300 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.618 -2.503 18.678 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.127 -0.917 18.054 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.955 -2.395 17.509 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.692 -0.406 12.876 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.229 0.607 11.976 1.00 0.00 C ATOM 1010 C PHE B 62 -25.568 0.162 11.394 1.00 0.00 C ATOM 1011 O PHE B 62 -26.575 0.860 11.523 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.239 0.892 10.845 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.699 1.967 9.902 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.249 3.142 10.386 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.580 1.802 8.531 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.673 4.134 9.522 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.002 2.790 7.662 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.550 3.957 8.157 1.00 0.00 C ATOM 0 H PHE B 62 -22.729 -0.677 12.678 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.387 1.520 12.550 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.281 1.184 11.276 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.069 -0.026 10.282 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.348 3.285 11.452 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.153 0.891 8.138 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.100 5.046 9.913 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.903 2.650 6.596 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.882 4.729 7.479 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.572 -1.002 10.755 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.786 -1.540 10.154 1.00 0.00 C ATOM 1030 C ILE B 63 -27.923 -1.594 11.168 1.00 0.00 C ATOM 1031 O ILE B 63 -29.069 -1.270 10.851 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.554 -2.952 9.584 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.573 -2.897 8.412 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.874 -3.570 9.149 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.115 -2.165 7.204 1.00 0.00 C ATOM 0 H ILE B 63 -24.748 -1.591 10.640 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.060 -0.869 9.340 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.122 -3.578 10.365 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.655 -2.410 8.740 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.309 -3.914 8.122 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.694 -4.568 8.748 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.544 -3.639 10.006 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.331 -2.947 8.380 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.366 -2.165 6.412 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.017 -2.664 6.850 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.353 -1.137 7.478 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.600 -2.003 12.390 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.595 -2.098 13.453 1.00 0.00 C ATOM 1049 C LEU B 64 -29.094 -0.714 13.857 1.00 0.00 C ATOM 1050 O LEU B 64 -30.273 -0.532 14.161 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.004 -2.815 14.669 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.080 -4.342 14.650 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.244 -4.932 15.775 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.525 -4.806 14.757 1.00 0.00 C ATOM 0 H LEU B 64 -26.657 -2.274 12.669 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.441 -2.673 13.075 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.958 -2.524 14.764 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.517 -2.457 15.562 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.676 -4.695 13.701 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.310 -6.020 15.746 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.204 -4.628 15.653 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.618 -4.572 16.733 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.559 -5.895 14.742 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.956 -4.442 15.690 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.096 -4.413 13.916 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.188 0.259 13.857 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.536 1.627 14.220 1.00 0.00 C ATOM 1068 C VAL B 65 -29.640 2.171 13.319 1.00 0.00 C ATOM 1069 O VAL B 65 -30.615 2.752 13.797 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.313 2.559 14.134 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.709 3.991 14.462 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.210 2.077 15.064 1.00 0.00 C ATOM 0 H VAL B 65 -27.208 0.125 13.610 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.892 1.600 15.250 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.932 2.537 13.113 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.832 4.635 14.396 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.463 4.331 13.753 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.116 4.034 15.472 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.353 2.747 14.991 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.577 2.069 16.090 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.908 1.069 14.779 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.480 1.978 12.015 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.464 2.448 11.047 1.00 0.00 C ATOM 1084 C ILE B 66 -31.795 1.724 11.221 1.00 0.00 C ATOM 1085 O ILE B 66 -32.834 2.352 11.424 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.970 2.252 9.602 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.605 2.916 9.411 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.982 2.816 8.615 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.514 1.949 9.004 1.00 0.00 C ATOM 0 H ILE B 66 -28.679 1.500 11.604 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.606 3.513 11.232 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.863 1.184 9.413 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.691 3.694 8.652 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.316 3.407 10.340 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.619 2.670 7.598 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.935 2.301 8.737 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.118 3.881 8.802 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.574 2.489 8.887 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.400 1.185 9.773 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.781 1.476 8.059 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.755 0.398 11.141 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.958 -0.413 11.292 1.00 0.00 C ATOM 1103 C VAL B 67 -33.680 -0.088 12.595 1.00 0.00 C ATOM 1104 O VAL B 67 -34.870 0.224 12.596 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.628 -1.917 11.263 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.904 -2.745 11.297 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.795 -2.256 10.035 1.00 0.00 C ATOM 0 H VAL B 67 -30.903 -0.138 10.973 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.608 -0.175 10.450 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.042 -2.160 12.150 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.651 -3.805 11.276 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.458 -2.522 12.209 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.519 -2.502 10.431 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.571 -3.323 10.031 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.353 -1.999 9.135 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.864 -1.690 10.059 1.00 0.00 H new