USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 70 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= -0.0512 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -11.967 -9.998 2.167 1.00 0.00 N ATOM 142 CA PRO A 51 -12.528 -10.337 3.478 1.00 0.00 C ATOM 143 C PRO A 51 -13.175 -9.136 4.160 1.00 0.00 C ATOM 144 O PRO A 51 -14.243 -9.253 4.762 1.00 0.00 O ATOM 145 CB PRO A 51 -11.309 -10.811 4.273 1.00 0.00 C ATOM 146 CG PRO A 51 -10.149 -10.136 3.626 1.00 0.00 C ATOM 147 CD PRO A 51 -10.495 -10.027 2.167 1.00 0.00 C ATOM 0 HA PRO A 51 -13.321 -11.081 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.391 -10.536 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.208 -11.896 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.978 -9.151 4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.234 -10.711 3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.075 -9.125 1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.110 -10.873 1.598 1.00 0.00 H new ATOM 155 N LEU A 52 -12.523 -7.983 4.060 1.00 0.00 N ATOM 156 CA LEU A 52 -13.035 -6.760 4.667 1.00 0.00 C ATOM 157 C LEU A 52 -14.472 -6.495 4.229 1.00 0.00 C ATOM 158 O LEU A 52 -15.402 -6.583 5.031 1.00 0.00 O ATOM 159 CB LEU A 52 -12.149 -5.571 4.293 1.00 0.00 C ATOM 160 CG LEU A 52 -12.587 -4.210 4.834 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.545 -4.202 6.354 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.708 -3.103 4.269 1.00 0.00 C ATOM 0 H LEU A 52 -11.639 -7.870 3.564 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.022 -6.888 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.138 -5.772 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.100 -5.508 3.206 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.614 -4.028 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.860 -3.225 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.216 -4.969 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.529 -4.406 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.034 -2.141 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.671 -3.280 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.788 -3.094 3.182 1.00 0.00 H new ATOM 174 N ILE A 53 -14.646 -6.172 2.952 1.00 0.00 N ATOM 175 CA ILE A 53 -15.969 -5.898 2.407 1.00 0.00 C ATOM 176 C ILE A 53 -16.918 -7.066 2.654 1.00 0.00 C ATOM 177 O ILE A 53 -18.056 -6.874 3.083 1.00 0.00 O ATOM 178 CB ILE A 53 -15.908 -5.613 0.894 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.905 -4.494 0.605 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.287 -5.246 0.368 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.796 -4.146 -0.863 1.00 0.00 C ATOM 0 H ILE A 53 -13.887 -6.094 2.275 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.344 -5.013 2.920 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.575 -6.515 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.197 -3.603 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.924 -4.792 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.227 -5.048 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.976 -6.072 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.648 -4.355 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.068 -3.346 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.474 -5.025 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.767 -3.817 -1.232 1.00 0.00 H new ATOM 193 N ALA A 54 -16.442 -8.276 2.383 1.00 0.00 N ATOM 194 CA ALA A 54 -17.246 -9.476 2.579 1.00 0.00 C ATOM 195 C ALA A 54 -17.843 -9.512 3.982 1.00 0.00 C ATOM 196 O ALA A 54 -19.063 -9.522 4.148 1.00 0.00 O ATOM 197 CB ALA A 54 -16.408 -10.721 2.328 1.00 0.00 C ATOM 0 H ALA A 54 -15.503 -8.452 2.027 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.067 -9.455 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.022 -11.609 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.034 -10.707 1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.567 -10.740 3.021 1.00 0.00 H new ATOM 203 N ALA A 55 -16.976 -9.534 4.989 1.00 0.00 N ATOM 204 CA ALA A 55 -17.418 -9.568 6.377 1.00 0.00 C ATOM 205 C ALA A 55 -18.429 -8.462 6.659 1.00 0.00 C ATOM 206 O ALA A 55 -19.354 -8.639 7.451 1.00 0.00 O ATOM 207 CB ALA A 55 -16.226 -9.447 7.314 1.00 0.00 C ATOM 0 H ALA A 55 -15.963 -9.529 4.869 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.908 -10.526 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.571 -9.474 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.540 -10.276 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.711 -8.504 7.128 1.00 0.00 H new ATOM 213 N GLY A 56 -18.246 -7.318 6.006 1.00 0.00 N ATOM 214 CA GLY A 56 -19.149 -6.199 6.201 1.00 0.00 C ATOM 215 C GLY A 56 -20.584 -6.546 5.857 1.00 0.00 C ATOM 216 O GLY A 56 -21.479 -6.418 6.693 1.00 0.00 O ATOM 0 H GLY A 56 -17.488 -7.147 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.097 -5.870 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.823 -5.361 5.585 1.00 0.00 H new ATOM 220 N VAL A 57 -20.805 -6.984 4.621 1.00 0.00 N ATOM 221 CA VAL A 57 -22.142 -7.350 4.168 1.00 0.00 C ATOM 222 C VAL A 57 -22.681 -8.541 4.951 1.00 0.00 C ATOM 223 O VAL A 57 -23.867 -8.598 5.277 1.00 0.00 O ATOM 224 CB VAL A 57 -22.152 -7.689 2.666 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.577 -7.879 2.170 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.443 -6.604 1.870 1.00 0.00 C ATOM 0 H VAL A 57 -20.076 -7.094 3.916 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.783 -6.486 4.342 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.614 -8.626 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.563 -8.118 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.048 -8.695 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.143 -6.961 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.460 -6.860 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.951 -5.651 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.410 -6.522 2.207 1.00 0.00 H new ATOM 236 N ILE A 58 -21.802 -9.492 5.250 1.00 0.00 N ATOM 237 CA ILE A 58 -22.190 -10.683 5.997 1.00 0.00 C ATOM 238 C ILE A 58 -22.650 -10.323 7.405 1.00 0.00 C ATOM 239 O ILE A 58 -23.678 -10.807 7.877 1.00 0.00 O ATOM 240 CB ILE A 58 -21.030 -11.691 6.090 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.658 -12.204 4.697 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.406 -12.848 7.003 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.449 -13.113 4.690 1.00 0.00 C ATOM 0 H ILE A 58 -20.817 -9.461 4.987 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.016 -11.141 5.454 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.162 -11.186 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.509 -12.741 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.466 -11.352 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.576 -13.552 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.627 -12.468 8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.285 -13.354 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.244 -13.438 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.586 -12.573 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.645 -13.984 5.316 1.00 0.00 H new ATOM 255 N GLY A 59 -21.882 -9.467 8.073 1.00 0.00 N ATOM 256 CA GLY A 59 -22.228 -9.055 9.420 1.00 0.00 C ATOM 257 C GLY A 59 -23.595 -8.404 9.495 1.00 0.00 C ATOM 258 O GLY A 59 -24.439 -8.806 10.294 1.00 0.00 O ATOM 0 H GLY A 59 -21.026 -9.052 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.206 -9.923 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.476 -8.357 9.787 1.00 0.00 H new ATOM 262 N GLY A 60 -23.813 -7.393 8.659 1.00 0.00 N ATOM 263 CA GLY A 60 -25.088 -6.700 8.651 1.00 0.00 C ATOM 264 C GLY A 60 -26.256 -7.637 8.415 1.00 0.00 C ATOM 265 O GLY A 60 -27.301 -7.513 9.055 1.00 0.00 O ATOM 0 H GLY A 60 -23.130 -7.042 7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.225 -6.186 9.603 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.077 -5.935 7.875 1.00 0.00 H new ATOM 269 N LEU A 61 -26.081 -8.578 7.493 1.00 0.00 N ATOM 270 CA LEU A 61 -27.130 -9.540 7.173 1.00 0.00 C ATOM 271 C LEU A 61 -27.371 -10.491 8.341 1.00 0.00 C ATOM 272 O LEU A 61 -28.481 -10.576 8.866 1.00 0.00 O ATOM 273 CB LEU A 61 -26.754 -10.335 5.921 1.00 0.00 C ATOM 274 CG LEU A 61 -26.891 -9.596 4.590 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.282 -10.413 3.461 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.352 -9.286 4.299 1.00 0.00 C ATOM 0 H LEU A 61 -25.223 -8.695 6.954 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.051 -8.988 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.721 -10.669 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.376 -11.229 5.883 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.349 -8.653 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.389 -9.871 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.225 -10.583 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.796 -11.372 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.430 -8.760 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.918 -10.216 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.756 -8.660 5.094 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.203 8.743 1.00 0.00 N ATOM 289 CA PHE A 62 -26.421 -12.148 9.850 1.00 0.00 C ATOM 290 C PHE A 62 -27.039 -11.485 11.078 1.00 0.00 C ATOM 291 O PHE A 62 -28.035 -11.964 11.620 1.00 0.00 O ATOM 292 CB PHE A 62 -25.039 -12.703 10.197 1.00 0.00 C ATOM 293 CG PHE A 62 -25.086 -13.929 11.064 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.465 -15.153 10.537 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.752 -13.857 12.407 1.00 0.00 C ATOM 296 CE1 PHE A 62 -25.509 -16.283 11.332 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.793 -14.983 13.207 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.174 -16.197 12.669 1.00 0.00 C ATOM 0 H PHE A 62 -25.398 -11.144 8.319 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.067 -12.969 9.539 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.509 -12.940 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.463 -11.930 10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -25.729 -15.225 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -24.456 -12.910 12.833 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -25.805 -17.231 10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -24.528 -14.914 14.252 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.210 -17.078 13.293 1.00 0.00 H new ATOM 308 N ILE A 63 -26.440 -10.381 11.510 1.00 0.00 N ATOM 309 CA ILE A 63 -26.931 -9.652 12.673 1.00 0.00 C ATOM 310 C ILE A 63 -28.417 -9.340 12.539 1.00 0.00 C ATOM 311 O ILE A 63 -29.183 -9.491 13.493 1.00 0.00 O ATOM 312 CB ILE A 63 -26.158 -8.335 12.880 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.703 -8.625 13.252 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.827 -7.491 13.954 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.544 -9.278 14.607 1.00 0.00 C ATOM 0 H ILE A 63 -25.614 -9.972 11.073 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.774 -10.296 13.538 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.169 -7.774 11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.264 -9.272 12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.140 -7.692 13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.269 -6.564 14.088 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.848 -7.259 13.651 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.844 -8.044 14.893 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.487 -9.454 14.804 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.952 -8.623 15.377 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.078 -10.228 14.618 1.00 0.00 H new ATOM 327 N LEU A 64 -28.820 -8.906 11.350 1.00 0.00 N ATOM 328 CA LEU A 64 -30.217 -8.574 11.090 1.00 0.00 C ATOM 329 C LEU A 64 -31.091 -9.824 11.135 1.00 0.00 C ATOM 330 O LEU A 64 -32.228 -9.783 11.603 1.00 0.00 O ATOM 331 CB LEU A 64 -30.354 -7.891 9.729 1.00 0.00 C ATOM 332 CG LEU A 64 -29.906 -6.430 9.663 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.756 -5.983 8.217 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.892 -5.536 10.400 1.00 0.00 C ATOM 0 H LEU A 64 -28.200 -8.776 10.551 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.554 -7.889 11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.778 -8.460 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.398 -7.944 9.422 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.935 -6.345 10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.437 -4.941 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.011 -6.604 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.713 -6.083 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.557 -4.500 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.877 -5.625 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.949 -5.841 11.445 1.00 0.00 H new ATOM 346 N VAL A 65 -30.550 -10.936 10.646 1.00 0.00 N ATOM 347 CA VAL A 65 -31.279 -12.199 10.633 1.00 0.00 C ATOM 348 C VAL A 65 -31.711 -12.598 12.039 1.00 0.00 C ATOM 349 O VAL A 65 -32.855 -13.001 12.257 1.00 0.00 O ATOM 350 CB VAL A 65 -30.428 -13.331 10.029 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.175 -14.654 10.095 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.040 -12.999 8.596 1.00 0.00 C ATOM 0 H VAL A 65 -29.610 -10.988 10.254 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.163 -12.048 10.013 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.514 -13.428 10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.558 -15.442 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.397 -14.895 11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.106 -14.574 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.439 -13.810 8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.941 -12.874 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.462 -12.075 8.580 1.00 0.00 H new ATOM 362 N ILE A 66 -30.791 -12.482 12.991 1.00 0.00 N ATOM 363 CA ILE A 66 -31.078 -12.830 14.377 1.00 0.00 C ATOM 364 C ILE A 66 -32.100 -11.874 14.983 1.00 0.00 C ATOM 365 O ILE A 66 -33.157 -12.295 15.455 1.00 0.00 O ATOM 366 CB ILE A 66 -29.802 -12.811 15.238 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.720 -13.689 14.605 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.110 -13.279 16.652 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.435 -12.948 14.312 1.00 0.00 C ATOM 0 H ILE A 66 -29.841 -12.150 12.828 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.487 -13.840 14.370 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.430 -11.787 15.287 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.504 -14.524 15.272 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.105 -14.113 13.678 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.198 -13.260 17.248 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.851 -12.617 17.101 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.502 -14.295 16.621 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.714 -13.632 13.865 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.636 -12.130 13.620 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.027 -12.547 15.240 1.00 0.00 H new ATOM 381 N VAL A 67 -31.780 -10.584 14.964 1.00 0.00 N ATOM 382 CA VAL A 67 -32.671 -9.567 15.509 1.00 0.00 C ATOM 383 C VAL A 67 -34.066 -9.677 14.904 1.00 0.00 C ATOM 384 O VAL A 67 -35.060 -9.776 15.622 1.00 0.00 O ATOM 385 CB VAL A 67 -32.125 -8.149 15.257 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.988 -7.111 15.959 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.677 -8.047 15.713 1.00 0.00 C ATOM 0 H VAL A 67 -30.910 -10.219 14.577 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.729 -9.740 16.584 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.160 -7.950 14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.586 -6.116 15.769 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.008 -7.169 15.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.988 -7.304 17.032 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.307 -7.039 15.527 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.615 -8.266 16.779 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.070 -8.763 15.160 1.00 0.00 H new ATOM 397 N GLY A 68 -34.132 -9.660 13.576 1.00 0.00 N ATOM 398 CA GLY A 68 -35.410 -9.759 12.896 1.00 0.00 C ATOM 399 C GLY A 68 -36.226 -10.948 13.365 1.00 0.00 C ATOM 400 O GLY A 68 -37.353 -10.789 13.837 1.00 0.00 O ATOM 0 H GLY A 68 -33.323 -9.579 12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.978 -8.844 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.241 -9.839 11.822 1.00 0.00 H new ATOM 404 N LEU A 69 -35.658 -12.141 13.235 1.00 0.00 N ATOM 405 CA LEU A 69 -36.341 -13.363 13.649 1.00 0.00 C ATOM 406 C LEU A 69 -36.729 -13.297 15.122 1.00 0.00 C ATOM 407 O LEU A 69 -37.845 -13.658 15.499 1.00 0.00 O ATOM 408 CB LEU A 69 -35.449 -14.579 13.398 1.00 0.00 C ATOM 409 CG LEU A 69 -35.320 -15.029 11.942 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.407 -16.240 11.835 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.691 -15.338 11.356 1.00 0.00 C ATOM 0 H LEU A 69 -34.727 -12.289 12.846 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.251 -13.460 13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.452 -14.358 13.778 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.835 -15.414 13.982 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.876 -14.215 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.328 -16.545 10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.418 -15.984 12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.820 -17.060 12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.580 -15.657 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.162 -16.135 11.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.314 -14.444 11.396 1.00 0.00 H new ATOM 423 N THR A 70 -35.801 -12.833 15.953 1.00 0.00 N ATOM 424 CA THR A 70 -36.045 -12.719 17.386 1.00 0.00 C ATOM 425 C THR A 70 -37.336 -11.958 17.664 1.00 0.00 C ATOM 426 O THR A 70 -38.071 -12.283 18.597 1.00 0.00 O ATOM 427 CB THR A 70 -34.879 -12.009 18.100 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.699 -12.817 18.032 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.226 -11.730 19.554 1.00 0.00 C ATOM 0 H THR A 70 -34.873 -12.530 15.658 1.00 0.00 H new ATOM 0 HA THR A 70 -36.134 -13.734 17.774 1.00 0.00 H new ATOM 0 HB THR A 70 -34.697 -11.059 17.597 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.330 -12.782 17.125 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.388 -11.228 20.038 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.108 -11.091 19.601 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.431 -12.670 20.066 1.00 0.00 H new ATOM 437 N PHE A 71 -37.607 -10.944 16.850 1.00 0.00 N ATOM 438 CA PHE A 71 -38.810 -10.135 17.009 1.00 0.00 C ATOM 439 C PHE A 71 -40.052 -10.924 16.605 1.00 0.00 C ATOM 440 O PHE A 71 -41.026 -10.995 17.354 1.00 0.00 O ATOM 441 CB PHE A 71 -38.707 -8.859 16.172 1.00 0.00 C ATOM 442 CG PHE A 71 -39.801 -7.868 16.452 1.00 0.00 C ATOM 443 CD1 PHE A 71 -41.066 -8.043 15.916 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.563 -6.762 17.252 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.075 -7.134 16.173 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.568 -5.849 17.512 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.825 -6.035 16.971 1.00 0.00 C ATOM 0 H PHE A 71 -37.010 -10.662 16.073 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.899 -9.864 18.061 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.743 -8.387 16.361 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.730 -9.125 15.115 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.266 -8.900 15.290 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.582 -6.612 17.677 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -43.058 -7.283 15.750 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.370 -4.991 18.138 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.611 -5.322 17.172 1.00 0.00 H new ATOM 457 N ALA A 72 -40.010 -11.514 15.415 1.00 0.00 N ATOM 458 CA ALA A 72 -41.130 -12.298 14.911 1.00 0.00 C ATOM 459 C ALA A 72 -41.414 -13.494 15.814 1.00 0.00 C ATOM 460 O ALA A 72 -42.557 -13.933 15.939 1.00 0.00 O ATOM 461 CB ALA A 72 -40.852 -12.763 13.489 1.00 0.00 C ATOM 0 H ALA A 72 -39.212 -11.464 14.782 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.014 -11.661 14.907 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.697 -13.347 13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.706 -11.896 12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.953 -13.379 13.477 1.00 0.00 H new ATOM 467 N VAL A 73 -40.366 -14.017 16.442 1.00 0.00 N ATOM 468 CA VAL A 73 -40.503 -15.162 17.335 1.00 0.00 C ATOM 469 C VAL A 73 -41.091 -14.745 18.678 1.00 0.00 C ATOM 470 O VAL A 73 -42.013 -15.382 19.188 1.00 0.00 O ATOM 471 CB VAL A 73 -39.147 -15.852 17.573 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.296 -16.991 18.570 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.567 -16.355 16.260 1.00 0.00 C ATOM 0 H VAL A 73 -39.413 -13.666 16.349 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.180 -15.864 16.848 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.456 -15.121 17.992 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.328 -17.467 18.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.664 -16.599 19.518 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.003 -17.724 18.182 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.609 -16.840 16.447 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.254 -17.071 15.809 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.422 -15.515 15.581 1.00 0.00 H new ATOM 483 N TYR A 74 -40.554 -13.670 19.245 1.00 0.00 N ATOM 484 CA TYR A 74 -41.025 -13.168 20.530 1.00 0.00 C ATOM 485 C TYR A 74 -42.527 -12.901 20.493 1.00 0.00 C ATOM 486 O TYR A 74 -43.263 -13.302 21.395 1.00 0.00 O ATOM 487 CB TYR A 74 -40.277 -11.888 20.906 1.00 0.00 C ATOM 488 CG TYR A 74 -40.566 -11.408 22.311 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.764 -10.774 22.616 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.642 -11.588 23.332 1.00 0.00 C ATOM 491 CE1 TYR A 74 -42.033 -10.333 23.897 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.903 -11.152 24.616 1.00 0.00 C ATOM 493 CZ TYR A 74 -41.100 -10.525 24.894 1.00 0.00 C ATOM 494 OH TYR A 74 -41.363 -10.087 26.172 1.00 0.00 O ATOM 0 H TYR A 74 -39.792 -13.130 18.835 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.828 -13.930 21.284 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.206 -12.060 20.803 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.543 -11.101 20.200 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.498 -10.623 21.838 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.703 -12.077 23.118 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.969 -9.841 24.117 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -39.174 -11.301 25.399 1.00 0.00 H new ATOM 0 HH TYR A 74 -40.604 -10.301 26.754 1.00 0.00 H new ATOM 504 N VAL A 75 -42.974 -12.220 19.443 1.00 0.00 N ATOM 505 CA VAL A 75 -44.388 -11.900 19.286 1.00 0.00 C ATOM 506 C VAL A 75 -45.231 -13.166 19.187 1.00 0.00 C ATOM 507 O VAL A 75 -46.253 -13.298 19.860 1.00 0.00 O ATOM 508 CB VAL A 75 -44.632 -11.035 18.034 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.120 -10.791 17.836 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.876 -9.720 18.141 1.00 0.00 C ATOM 0 H VAL A 75 -42.378 -11.879 18.689 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.685 -11.338 20.171 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.258 -11.572 17.162 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.273 -10.179 16.947 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.632 -11.745 17.712 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.523 -10.274 18.707 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.059 -9.121 17.249 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.218 -9.174 19.021 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.808 -9.920 18.230 1.00 0.00 H new ATOM 520 N ARG A 76 -44.795 -14.097 18.344 1.00 0.00 N ATOM 521 CA ARG A 76 -45.510 -15.353 18.156 1.00 0.00 C ATOM 522 C ARG A 76 -45.723 -16.062 19.490 1.00 0.00 C ATOM 523 O ARG A 76 -46.750 -16.705 19.706 1.00 0.00 O ATOM 524 CB ARG A 76 -44.740 -16.265 17.199 1.00 0.00 C ATOM 525 CG ARG A 76 -44.811 -15.823 15.747 1.00 0.00 C ATOM 526 CD ARG A 76 -43.671 -16.408 14.929 1.00 0.00 C ATOM 527 NE ARG A 76 -44.072 -17.619 14.219 1.00 0.00 N ATOM 528 CZ ARG A 76 -43.343 -18.187 13.264 1.00 0.00 C ATOM 529 NH1 ARG A 76 -42.181 -17.656 12.908 1.00 0.00 N ATOM 530 NH2 ARG A 76 -43.775 -19.289 12.664 1.00 0.00 N ATOM 0 H ARG A 76 -43.950 -14.005 17.781 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.485 -15.126 17.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.695 -16.302 17.508 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.133 -17.278 17.281 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.764 -16.132 15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.776 -14.735 15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -43.322 -15.666 14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -42.832 -16.635 15.587 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.960 -18.053 14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -41.845 -16.810 13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -41.623 -18.094 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.668 -19.701 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -43.214 -19.724 11.931 1.00 0.00 H new ATOM 544 N ARG A 77 -44.744 -15.940 20.382 1.00 0.00 N ATOM 545 CA ARG A 77 -44.824 -16.571 21.694 1.00 0.00 C ATOM 546 C ARG A 77 -46.065 -16.103 22.448 1.00 0.00 C ATOM 547 O ARG A 77 -46.542 -16.778 23.360 1.00 0.00 O ATOM 548 CB ARG A 77 -43.569 -16.256 22.511 1.00 0.00 C ATOM 549 CG ARG A 77 -42.278 -16.690 21.837 1.00 0.00 C ATOM 550 CD ARG A 77 -41.424 -17.541 22.764 1.00 0.00 C ATOM 551 NE ARG A 77 -42.109 -18.766 23.168 1.00 0.00 N ATOM 552 CZ ARG A 77 -41.641 -19.599 24.091 1.00 0.00 C ATOM 553 NH1 ARG A 77 -40.494 -19.340 24.702 1.00 0.00 N ATOM 554 NH2 ARG A 77 -42.323 -20.694 24.405 1.00 0.00 N ATOM 0 H ARG A 77 -43.887 -15.411 20.220 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.894 -17.649 21.548 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.528 -15.183 22.699 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.645 -16.747 23.481 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.510 -17.254 20.934 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.714 -15.810 21.527 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.490 -17.796 22.264 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.163 -16.962 23.650 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.995 -18.994 22.717 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.968 -18.499 24.464 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -40.137 -19.981 25.410 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -43.207 -20.896 23.937 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -41.963 -21.333 25.114 1.00 0.00 H new ATOM 568 N LYS A 78 -46.584 -14.942 22.061 1.00 0.00 N ATOM 569 CA LYS A 78 -47.770 -14.383 22.698 1.00 0.00 C ATOM 570 C LYS A 78 -49.040 -14.995 22.116 1.00 0.00 C ATOM 571 O LYS A 78 -50.026 -15.194 22.825 1.00 0.00 O ATOM 572 CB LYS A 78 -47.798 -12.863 22.525 1.00 0.00 C ATOM 573 CG LYS A 78 -47.691 -12.100 23.834 1.00 0.00 C ATOM 574 CD LYS A 78 -47.045 -10.739 23.636 1.00 0.00 C ATOM 575 CE LYS A 78 -47.840 -9.639 24.321 1.00 0.00 C ATOM 576 NZ LYS A 78 -48.115 -9.961 25.749 1.00 0.00 N ATOM 0 H LYS A 78 -46.201 -14.370 21.308 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.727 -14.621 23.761 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.978 -12.565 21.872 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.723 -12.580 22.024 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.684 -11.973 24.264 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.107 -12.681 24.548 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -46.030 -10.756 24.032 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -46.968 -10.524 22.570 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -47.289 -8.701 24.260 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -48.783 -9.490 23.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -48.194 -9.079 26.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -49.006 -10.493 25.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.338 -10.536 26.131 1.00 0.00 H new ATOM 875 N LEU B 52 -10.904 -7.286 8.785 1.00 0.00 N ATOM 876 CA LEU B 52 -11.948 -8.301 8.692 1.00 0.00 C ATOM 877 C LEU B 52 -12.877 -8.239 9.900 1.00 0.00 C ATOM 878 O LEU B 52 -14.045 -7.868 9.779 1.00 0.00 O ATOM 879 CB LEU B 52 -11.325 -9.693 8.583 1.00 0.00 C ATOM 880 CG LEU B 52 -12.306 -10.863 8.497 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.135 -10.771 7.225 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.562 -12.189 8.556 1.00 0.00 C ATOM 0 HA LEU B 52 -12.535 -8.102 7.796 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.686 -9.715 7.700 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.680 -9.849 9.447 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.981 -10.810 9.351 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.828 -11.612 7.180 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.697 -9.837 7.224 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.475 -10.798 6.358 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.276 -13.010 8.494 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.863 -12.252 7.722 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.013 -12.257 9.495 1.00 0.00 H new ATOM 894 N ILE B 53 -12.349 -8.603 11.064 1.00 0.00 N ATOM 895 CA ILE B 53 -13.130 -8.586 12.295 1.00 0.00 C ATOM 896 C ILE B 53 -13.733 -7.208 12.544 1.00 0.00 C ATOM 897 O ILE B 53 -14.914 -7.085 12.870 1.00 0.00 O ATOM 898 CB ILE B 53 -12.274 -8.987 13.511 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.595 -10.335 13.261 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.131 -9.043 14.766 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.741 -10.805 14.419 1.00 0.00 C ATOM 0 H ILE B 53 -11.384 -8.913 11.180 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.932 -9.314 12.170 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.500 -8.234 13.657 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.359 -11.085 13.055 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.974 -10.260 12.369 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.512 -9.328 15.617 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.572 -8.063 14.950 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.924 -9.778 14.632 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.291 -11.766 14.172 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.955 -10.075 14.611 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.362 -10.913 15.309 1.00 0.00 H new ATOM 913 N ALA B 54 -12.915 -6.173 12.386 1.00 0.00 N ATOM 914 CA ALA B 54 -13.368 -4.802 12.590 1.00 0.00 C ATOM 915 C ALA B 54 -14.638 -4.520 11.794 1.00 0.00 C ATOM 916 O ALA B 54 -15.679 -4.192 12.363 1.00 0.00 O ATOM 917 CB ALA B 54 -12.272 -3.821 12.204 1.00 0.00 C ATOM 0 H ALA B 54 -11.935 -6.258 12.117 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.598 -4.675 13.648 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.624 -2.802 12.361 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.390 -4.000 12.820 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.015 -3.958 11.154 1.00 0.00 H new ATOM 923 N ALA B 55 -14.545 -4.649 10.475 1.00 0.00 N ATOM 924 CA ALA B 55 -15.687 -4.409 9.601 1.00 0.00 C ATOM 925 C ALA B 55 -16.907 -5.198 10.064 1.00 0.00 C ATOM 926 O ALA B 55 -18.038 -4.724 9.965 1.00 0.00 O ATOM 927 CB ALA B 55 -15.337 -4.769 8.165 1.00 0.00 C ATOM 0 H ALA B 55 -13.690 -4.918 9.988 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.933 -3.348 9.648 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.199 -4.585 7.523 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.499 -4.158 7.831 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.063 -5.822 8.111 1.00 0.00 H new ATOM 933 N GLY B 56 -16.670 -6.405 10.569 1.00 0.00 N ATOM 934 CA GLY B 56 -17.760 -7.240 11.039 1.00 0.00 C ATOM 935 C GLY B 56 -18.579 -6.569 12.124 1.00 0.00 C ATOM 936 O GLY B 56 -19.791 -6.404 11.985 1.00 0.00 O ATOM 0 H GLY B 56 -15.743 -6.819 10.661 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.410 -7.490 10.200 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.357 -8.178 11.420 1.00 0.00 H new ATOM 940 N VAL B 57 -17.916 -6.181 13.209 1.00 0.00 N ATOM 941 CA VAL B 57 -18.590 -5.525 14.323 1.00 0.00 C ATOM 942 C VAL B 57 -19.172 -4.182 13.898 1.00 0.00 C ATOM 943 O VAL B 57 -20.265 -3.805 14.323 1.00 0.00 O ATOM 944 CB VAL B 57 -17.631 -5.305 15.508 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.392 -4.799 16.724 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.883 -6.589 15.833 1.00 0.00 C ATOM 0 H VAL B 57 -16.913 -6.310 13.340 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.398 -6.185 14.638 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.900 -4.547 15.226 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.698 -4.649 17.551 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.877 -3.854 16.482 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.147 -5.531 17.011 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.210 -6.415 16.673 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.597 -7.370 16.096 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.305 -6.903 14.964 1.00 0.00 H new ATOM 956 N ILE B 58 -18.436 -3.463 13.057 1.00 0.00 N ATOM 957 CA ILE B 58 -18.880 -2.162 12.574 1.00 0.00 C ATOM 958 C ILE B 58 -20.155 -2.289 11.747 1.00 0.00 C ATOM 959 O ILE B 58 -21.094 -1.512 11.912 1.00 0.00 O ATOM 960 CB ILE B 58 -17.795 -1.477 11.722 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.563 -1.169 12.577 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.340 -0.204 11.092 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.399 -0.619 11.783 1.00 0.00 C ATOM 0 H ILE B 58 -17.529 -3.760 12.696 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.079 -1.550 13.454 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.499 -2.157 10.923 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.837 -0.451 13.350 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.247 -2.080 13.086 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.561 0.268 10.493 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.190 -0.448 10.454 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.660 0.482 11.876 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.561 -0.424 12.453 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.098 -1.345 11.028 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.697 0.309 11.295 1.00 0.00 H new ATOM 975 N GLY B 59 -20.180 -3.276 10.856 1.00 0.00 N ATOM 976 CA GLY B 59 -21.345 -3.488 10.017 1.00 0.00 C ATOM 977 C GLY B 59 -22.597 -3.767 10.824 1.00 0.00 C ATOM 978 O GLY B 59 -23.626 -3.120 10.632 1.00 0.00 O ATOM 0 H GLY B 59 -19.415 -3.932 10.700 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.506 -2.608 9.395 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.157 -4.324 9.343 1.00 0.00 H new ATOM 982 N GLY B 60 -22.512 -4.737 11.730 1.00 0.00 N ATOM 983 CA GLY B 60 -23.655 -5.086 12.554 1.00 0.00 C ATOM 984 C GLY B 60 -24.183 -3.903 13.342 1.00 0.00 C ATOM 985 O GLY B 60 -25.395 -3.728 13.475 1.00 0.00 O ATOM 0 H GLY B 60 -21.672 -5.287 11.908 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.449 -5.480 11.920 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.373 -5.882 13.244 1.00 0.00 H new ATOM 989 N LEU B 61 -23.273 -3.090 13.867 1.00 0.00 N ATOM 990 CA LEU B 61 -23.654 -1.918 14.648 1.00 0.00 C ATOM 991 C LEU B 61 -24.314 -0.865 13.763 1.00 0.00 C ATOM 992 O LEU B 61 -25.467 -0.492 13.979 1.00 0.00 O ATOM 993 CB LEU B 61 -22.428 -1.323 15.342 1.00 0.00 C ATOM 994 CG LEU B 61 -21.936 -2.062 16.586 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.599 -1.502 17.047 1.00 0.00 C ATOM 996 CD2 LEU B 61 -22.967 -1.972 17.702 1.00 0.00 C ATOM 0 H LEU B 61 -22.266 -3.221 13.766 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.374 -2.233 15.404 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.611 -1.283 14.621 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.657 -0.295 15.622 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.797 -3.112 16.330 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.265 -2.041 17.934 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.862 -1.619 16.252 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.710 -0.444 17.286 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.600 -2.504 18.580 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.138 -0.926 17.956 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.903 -2.422 17.370 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.575 -0.391 12.765 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.088 0.618 11.847 1.00 0.00 C ATOM 1010 C PHE B 62 -25.437 0.195 11.272 1.00 0.00 C ATOM 1011 O PHE B 62 -26.424 0.924 11.376 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.091 0.859 10.711 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.325 2.145 9.971 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -22.963 3.359 10.533 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.907 2.140 8.714 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -23.176 4.544 9.855 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.122 3.322 8.031 1.00 0.00 C ATOM 1018 CZ PHE B 62 -23.758 4.526 8.602 1.00 0.00 C ATOM 0 H PHE B 62 -22.619 -0.690 12.572 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.224 1.544 12.405 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.081 0.863 11.120 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.147 0.029 10.007 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -22.509 3.379 11.513 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -24.196 1.202 8.263 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -22.888 5.483 10.304 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -24.575 3.304 7.051 1.00 0.00 H new ATOM 0 HZ PHE B 62 -23.928 5.451 8.070 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.471 -0.987 10.666 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.698 -1.507 10.076 1.00 0.00 C ATOM 1030 C ILE B 63 -27.842 -1.494 11.084 1.00 0.00 C ATOM 1031 O ILE B 63 -28.972 -1.134 10.753 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.506 -2.943 9.552 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.523 -2.955 8.379 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.843 -3.538 9.136 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.044 -2.246 7.148 1.00 0.00 C ATOM 0 H ILE B 63 -24.663 -1.602 10.571 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.947 -0.854 9.240 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.092 -3.554 10.354 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.591 -2.485 8.692 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.289 -3.988 8.122 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.691 -4.553 8.768 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.514 -3.560 9.994 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.283 -2.928 8.347 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.296 -2.294 6.357 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.961 -2.730 6.810 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.251 -1.203 7.389 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.541 -1.888 12.316 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.544 -1.921 13.376 1.00 0.00 C ATOM 1049 C LEU B 64 -28.990 -0.510 13.746 1.00 0.00 C ATOM 1050 O LEU B 64 -30.163 -0.274 14.034 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.987 -2.633 14.610 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.033 -4.161 14.581 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.156 -4.742 15.678 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.466 -4.654 14.723 1.00 0.00 C ATOM 0 H LEU B 64 -26.611 -2.189 12.606 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.410 -2.471 13.007 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.951 -2.323 14.747 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.540 -2.289 15.484 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.647 -4.499 13.619 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.201 -5.830 15.642 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.126 -4.417 15.531 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.511 -4.396 16.649 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.480 -5.744 14.700 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.879 -4.306 15.670 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.067 -4.266 13.901 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.046 0.426 13.735 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.341 1.814 14.067 1.00 0.00 C ATOM 1068 C VAL B 65 -29.422 2.380 13.152 1.00 0.00 C ATOM 1069 O VAL B 65 -30.360 3.031 13.612 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.083 2.697 13.964 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.425 4.151 14.252 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.003 2.197 14.911 1.00 0.00 C ATOM 0 H VAL B 65 -27.070 0.247 13.499 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.698 1.823 15.097 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.699 2.635 12.946 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.524 4.759 14.174 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.162 4.501 13.530 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.834 4.236 15.259 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.121 2.832 14.825 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.374 2.228 15.935 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.738 1.172 14.652 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.283 2.126 11.855 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.248 2.609 10.875 1.00 0.00 C ATOM 1084 C ILE B 66 -31.606 1.940 11.066 1.00 0.00 C ATOM 1085 O ILE B 66 -32.618 2.612 11.265 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.762 2.358 9.436 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.361 2.941 9.238 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.738 2.960 8.435 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.343 1.923 8.775 1.00 0.00 C ATOM 0 H ILE B 66 -28.512 1.589 11.459 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.349 3.683 11.033 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.715 1.282 9.267 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.412 3.749 8.508 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.023 3.380 10.177 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.381 2.774 7.422 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.719 2.503 8.563 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.814 4.034 8.602 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.373 2.406 8.656 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.263 1.126 9.515 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.658 1.501 7.821 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.619 0.613 11.004 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.851 -0.148 11.172 1.00 0.00 C ATOM 1103 C VAL B 67 -33.561 0.234 12.467 1.00 0.00 C ATOM 1104 O VAL B 67 -34.738 0.589 12.460 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.579 -1.664 11.177 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.886 -2.442 11.208 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.744 -2.059 9.968 1.00 0.00 C ATOM 0 H VAL B 67 -30.790 0.042 10.839 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.491 0.096 10.324 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.015 -1.911 12.077 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.673 -3.511 11.211 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.444 -2.180 12.107 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.479 -2.193 10.328 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.561 -3.133 9.987 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.280 -1.798 9.055 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.792 -1.529 9.994 1.00 0.00 H new