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 -11.954 -10.001 2.270 1.00 0.00 N ATOM 142 CA PRO A 51 -12.505 -10.323 3.590 1.00 0.00 C ATOM 143 C PRO A 51 -13.183 -9.123 4.243 1.00 0.00 C ATOM 144 O PRO A 51 -14.268 -9.245 4.814 1.00 0.00 O ATOM 145 CB PRO A 51 -11.274 -10.746 4.395 1.00 0.00 C ATOM 146 CG PRO A 51 -10.132 -10.058 3.730 1.00 0.00 C ATOM 147 CD PRO A 51 -10.482 -9.992 2.269 1.00 0.00 C ATOM 0 HA PRO A 51 -13.278 -11.090 3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.362 -10.447 5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.146 -11.828 4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.985 -9.059 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.203 -10.606 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.086 -9.091 1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.075 -10.841 1.720 1.00 0.00 H new ATOM 155 N LEU A 52 -12.537 -7.966 4.157 1.00 0.00 N ATOM 156 CA LEU A 52 -13.078 -6.743 4.740 1.00 0.00 C ATOM 157 C LEU A 52 -14.512 -6.506 4.276 1.00 0.00 C ATOM 158 O LEU A 52 -15.453 -6.606 5.063 1.00 0.00 O ATOM 159 CB LEU A 52 -12.204 -5.545 4.364 1.00 0.00 C ATOM 160 CG LEU A 52 -12.657 -4.188 4.902 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.617 -4.176 6.422 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.791 -3.073 4.335 1.00 0.00 C ATOM 0 H LEU A 52 -11.638 -7.849 3.689 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.081 -6.857 5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.191 -5.734 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.154 -5.484 3.277 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.686 -4.018 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.943 -3.202 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.280 -4.949 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.599 -4.368 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.128 -2.114 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.752 -3.238 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.871 -3.067 3.248 1.00 0.00 H new ATOM 174 N ILE A 53 -14.669 -6.194 2.994 1.00 0.00 N ATOM 175 CA ILE A 53 -15.988 -5.947 2.425 1.00 0.00 C ATOM 176 C ILE A 53 -16.929 -7.117 2.690 1.00 0.00 C ATOM 177 O ILE A 53 -18.069 -6.926 3.114 1.00 0.00 O ATOM 178 CB ILE A 53 -15.909 -5.700 0.907 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.919 -4.574 0.602 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.286 -5.367 0.352 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.795 -4.261 -0.873 1.00 0.00 C ATOM 0 H ILE A 53 -13.900 -6.106 2.330 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.379 -5.053 2.911 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.555 -6.610 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.231 -3.674 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.938 -4.848 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.214 -5.195 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.965 -6.198 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.667 -4.469 0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.077 -3.453 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.453 -5.148 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.766 -3.955 -1.263 1.00 0.00 H new ATOM 193 N ALA A 54 -16.444 -8.328 2.439 1.00 0.00 N ATOM 194 CA ALA A 54 -17.240 -9.530 2.655 1.00 0.00 C ATOM 195 C ALA A 54 -17.848 -9.542 4.053 1.00 0.00 C ATOM 196 O ALA A 54 -19.069 -9.542 4.209 1.00 0.00 O ATOM 197 CB ALA A 54 -16.390 -10.772 2.436 1.00 0.00 C ATOM 0 H ALA A 54 -15.503 -8.503 2.086 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.056 -9.530 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.997 -11.662 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.009 -10.777 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.554 -10.769 3.135 1.00 0.00 H new ATOM 203 N ALA A 55 -16.989 -9.553 5.067 1.00 0.00 N ATOM 204 CA ALA A 55 -17.443 -9.564 6.452 1.00 0.00 C ATOM 205 C ALA A 55 -18.453 -8.451 6.708 1.00 0.00 C ATOM 206 O ALA A 55 -19.365 -8.602 7.520 1.00 0.00 O ATOM 207 CB ALA A 55 -16.257 -9.430 7.396 1.00 0.00 C ATOM 0 H ALA A 55 -15.975 -9.555 4.955 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.938 -10.517 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.610 -9.440 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.571 -10.263 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.739 -8.492 7.199 1.00 0.00 H new ATOM 213 N GLY A 56 -18.285 -7.333 6.009 1.00 0.00 N ATOM 214 CA GLY A 56 -19.190 -6.210 6.176 1.00 0.00 C ATOM 215 C GLY A 56 -20.623 -6.564 5.831 1.00 0.00 C ATOM 216 O GLY A 56 -21.522 -6.417 6.658 1.00 0.00 O ATOM 0 H GLY A 56 -17.539 -7.184 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.144 -5.860 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.861 -5.385 5.544 1.00 0.00 H new ATOM 220 N VAL A 57 -20.837 -7.031 4.605 1.00 0.00 N ATOM 221 CA VAL A 57 -22.171 -7.407 4.152 1.00 0.00 C ATOM 222 C VAL A 57 -22.711 -8.586 4.953 1.00 0.00 C ATOM 223 O VAL A 57 -23.904 -8.653 5.250 1.00 0.00 O ATOM 224 CB VAL A 57 -22.173 -7.772 2.656 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.597 -7.969 2.157 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.459 -6.701 1.845 1.00 0.00 C ATOM 0 H VAL A 57 -20.104 -7.158 3.908 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.814 -6.541 4.308 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.635 -8.711 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.579 -8.226 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.071 -8.774 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.162 -7.048 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.470 -6.976 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.967 -5.746 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.428 -6.613 2.186 1.00 0.00 H new ATOM 236 N ILE A 58 -21.825 -9.514 5.299 1.00 0.00 N ATOM 237 CA ILE A 58 -22.213 -10.691 6.067 1.00 0.00 C ATOM 238 C ILE A 58 -22.676 -10.305 7.468 1.00 0.00 C ATOM 239 O ILE A 58 -23.726 -10.749 7.931 1.00 0.00 O ATOM 240 CB ILE A 58 -21.053 -11.697 6.180 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.682 -12.239 4.798 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.428 -12.835 7.118 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.471 -13.145 4.810 1.00 0.00 C ATOM 0 H ILE A 58 -20.834 -9.474 5.060 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.038 -11.160 5.531 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.185 -11.183 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.532 -12.787 4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.492 -11.401 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.598 -13.538 7.187 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.647 -12.434 8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.308 -13.350 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.266 -13.492 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.609 -12.595 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.664 -14.002 5.455 1.00 0.00 H new ATOM 255 N GLY A 59 -21.884 -9.474 8.139 1.00 0.00 N ATOM 256 CA GLY A 59 -22.229 -9.041 9.480 1.00 0.00 C ATOM 257 C GLY A 59 -23.590 -8.376 9.542 1.00 0.00 C ATOM 258 O GLY A 59 -24.435 -8.751 10.354 1.00 0.00 O ATOM 0 H GLY A 59 -21.010 -9.093 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.217 -9.900 10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.471 -8.345 9.840 1.00 0.00 H new ATOM 262 N GLY A 60 -23.802 -7.384 8.682 1.00 0.00 N ATOM 263 CA GLY A 60 -25.071 -6.680 8.661 1.00 0.00 C ATOM 264 C GLY A 60 -26.246 -7.609 8.425 1.00 0.00 C ATOM 265 O GLY A 60 -27.284 -7.487 9.075 1.00 0.00 O ATOM 0 H GLY A 60 -23.118 -7.056 8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.209 -6.158 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.049 -5.921 7.879 1.00 0.00 H new ATOM 269 N LEU A 61 -26.083 -8.540 7.491 1.00 0.00 N ATOM 270 CA LEU A 61 -27.139 -9.493 7.168 1.00 0.00 C ATOM 271 C LEU A 61 -27.375 -10.457 8.327 1.00 0.00 C ATOM 272 O LEU A 61 -28.483 -10.550 8.856 1.00 0.00 O ATOM 273 CB LEU A 61 -26.779 -10.275 5.904 1.00 0.00 C ATOM 274 CG LEU A 61 -26.925 -9.519 4.583 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.338 -10.329 3.437 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.386 -9.192 4.314 1.00 0.00 C ATOM 0 H LEU A 61 -25.230 -8.655 6.944 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.058 -8.934 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.747 -10.615 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.406 -11.166 5.861 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.372 -8.583 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.451 -9.775 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.280 -10.511 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.862 -11.282 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.471 -8.654 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.961 -10.116 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.775 -8.571 5.121 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.171 8.718 1.00 0.00 N ATOM 289 CA PHE A 62 -26.416 -12.128 9.815 1.00 0.00 C ATOM 290 C PHE A 62 -27.036 -11.481 11.050 1.00 0.00 C ATOM 291 O PHE A 62 -28.035 -11.966 11.583 1.00 0.00 O ATOM 292 CB PHE A 62 -25.030 -12.680 10.155 1.00 0.00 C ATOM 293 CG PHE A 62 -25.048 -13.715 11.243 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.006 -14.716 11.249 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.107 -13.688 12.260 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.025 -15.670 12.250 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.121 -14.639 13.263 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.081 -15.632 13.257 1.00 0.00 C ATOM 0 H PHE A 62 -25.400 -11.105 8.292 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.058 -12.949 9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.591 -13.115 9.257 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.384 -11.856 10.459 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.746 -14.752 10.463 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.353 -12.914 12.269 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.778 -16.444 12.244 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.382 -14.606 14.050 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.093 -16.377 14.038 1.00 0.00 H new ATOM 308 N ILE A 63 -26.436 -10.384 11.500 1.00 0.00 N ATOM 309 CA ILE A 63 -26.929 -9.670 12.671 1.00 0.00 C ATOM 310 C ILE A 63 -28.415 -9.354 12.538 1.00 0.00 C ATOM 311 O ILE A 63 -29.184 -9.521 13.485 1.00 0.00 O ATOM 312 CB ILE A 63 -26.155 -8.358 12.898 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.705 -8.657 13.287 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.835 -7.520 13.971 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.567 -9.317 14.641 1.00 0.00 C ATOM 0 H ILE A 63 -25.608 -9.971 11.071 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.775 -10.326 13.528 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.153 -7.789 11.968 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.260 -9.303 12.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.138 -7.726 13.286 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.276 -6.596 14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.852 -7.283 13.657 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.865 -8.080 14.905 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.513 -9.500 14.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.982 -8.664 15.408 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.106 -10.264 14.641 1.00 0.00 H new ATOM 327 N LEU A 64 -28.813 -8.897 11.355 1.00 0.00 N ATOM 328 CA LEU A 64 -30.208 -8.558 11.096 1.00 0.00 C ATOM 329 C LEU A 64 -31.086 -9.805 11.132 1.00 0.00 C ATOM 330 O LEU A 64 -32.225 -9.761 11.598 1.00 0.00 O ATOM 331 CB LEU A 64 -30.341 -7.866 9.738 1.00 0.00 C ATOM 332 CG LEU A 64 -29.891 -6.406 9.683 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.738 -5.949 8.240 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.877 -5.515 10.424 1.00 0.00 C ATOM 0 H LEU A 64 -28.190 -8.753 10.561 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.543 -7.877 11.878 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.764 -8.431 9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.385 -7.916 9.428 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.921 -6.326 10.173 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.417 -4.907 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.993 -6.568 7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.694 -6.044 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.540 -4.480 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.861 -5.599 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.937 -5.827 11.467 1.00 0.00 H new ATOM 346 N VAL A 65 -30.549 -10.916 10.639 1.00 0.00 N ATOM 347 CA VAL A 65 -31.282 -12.176 10.619 1.00 0.00 C ATOM 348 C VAL A 65 -31.723 -12.579 12.021 1.00 0.00 C ATOM 349 O VAL A 65 -32.877 -12.950 12.237 1.00 0.00 O ATOM 350 CB VAL A 65 -30.433 -13.310 10.014 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.187 -14.630 10.071 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.037 -12.974 8.584 1.00 0.00 C ATOM 0 H VAL A 65 -29.608 -10.969 10.248 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.163 -12.019 9.996 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.522 -13.413 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.572 -15.419 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.415 -14.874 11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.115 -14.544 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.438 -13.786 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.934 -12.842 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.455 -12.053 8.575 1.00 0.00 H new ATOM 362 N ILE A 66 -30.797 -12.502 12.971 1.00 0.00 N ATOM 363 CA ILE A 66 -31.091 -12.857 14.354 1.00 0.00 C ATOM 364 C ILE A 66 -32.110 -11.900 14.963 1.00 0.00 C ATOM 365 O ILE A 66 -33.167 -12.319 15.435 1.00 0.00 O ATOM 366 CB ILE A 66 -29.817 -12.851 15.220 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.748 -13.751 14.598 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.138 -13.302 16.637 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.479 -13.015 14.228 1.00 0.00 C ATOM 0 H ILE A 66 -29.837 -12.197 12.808 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.506 -13.865 14.339 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.429 -11.833 15.263 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.504 -14.549 15.299 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.157 -14.224 13.705 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.228 -13.293 17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.870 -12.625 17.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.547 -14.312 16.614 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.766 -13.715 13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.709 -12.234 13.503 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.046 -12.565 15.121 1.00 0.00 H new ATOM 381 N VAL A 67 -31.787 -10.611 14.946 1.00 0.00 N ATOM 382 CA VAL A 67 -32.675 -9.592 15.494 1.00 0.00 C ATOM 383 C VAL A 67 -34.070 -9.696 14.887 1.00 0.00 C ATOM 384 O VAL A 67 -35.064 -9.797 15.605 1.00 0.00 O ATOM 385 CB VAL A 67 -32.124 -8.175 15.247 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.987 -7.137 15.949 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.678 -8.079 15.708 1.00 0.00 C ATOM 0 H VAL A 67 -30.916 -10.247 14.558 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.735 -9.768 16.568 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.154 -7.973 14.176 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.583 -6.142 15.763 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.006 -7.192 15.566 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.991 -7.333 17.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.304 -7.071 15.526 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.620 -8.301 16.774 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.071 -8.796 15.155 1.00 0.00 H new ATOM 397 N GLY A 68 -34.136 -9.672 13.560 1.00 0.00 N ATOM 398 CA GLY A 68 -35.414 -9.765 12.878 1.00 0.00 C ATOM 399 C GLY A 68 -36.234 -10.951 13.344 1.00 0.00 C ATOM 400 O GLY A 68 -37.361 -10.790 13.815 1.00 0.00 O ATOM 0 H GLY A 68 -33.327 -9.590 12.944 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.979 -8.848 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.245 -9.844 11.804 1.00 0.00 H new ATOM 404 N LEU A 69 -35.670 -12.147 13.212 1.00 0.00 N ATOM 405 CA LEU A 69 -36.358 -13.367 13.621 1.00 0.00 C ATOM 406 C LEU A 69 -36.747 -13.304 15.094 1.00 0.00 C ATOM 407 O LEU A 69 -37.868 -13.651 15.468 1.00 0.00 O ATOM 408 CB LEU A 69 -35.469 -14.586 13.368 1.00 0.00 C ATOM 409 CG LEU A 69 -35.338 -15.030 11.910 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.425 -16.242 11.802 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.707 -15.336 11.321 1.00 0.00 C ATOM 0 H LEU A 69 -34.738 -12.298 12.825 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.268 -13.459 13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.472 -14.370 13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.860 -15.422 13.948 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.894 -14.214 11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.343 -16.544 10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.436 -15.988 12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.840 -17.063 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.595 -15.650 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.179 -16.135 11.893 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.330 -14.442 11.364 1.00 0.00 H new ATOM 423 N THR A 70 -35.814 -12.857 15.929 1.00 0.00 N ATOM 424 CA THR A 70 -36.059 -12.747 17.362 1.00 0.00 C ATOM 425 C THR A 70 -37.341 -11.971 17.642 1.00 0.00 C ATOM 426 O THR A 70 -38.072 -12.281 18.583 1.00 0.00 O ATOM 427 CB THR A 70 -34.886 -12.055 18.081 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.713 -12.874 18.005 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.228 -11.786 19.539 1.00 0.00 C ATOM 0 H THR A 70 -34.881 -12.565 15.637 1.00 0.00 H new ATOM 0 HA THR A 70 -36.161 -13.763 17.744 1.00 0.00 H new ATOM 0 HB THR A 70 -34.697 -11.102 17.586 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.333 -12.818 17.104 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.385 -11.297 20.026 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.104 -11.139 19.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.441 -12.729 20.043 1.00 0.00 H new ATOM 437 N PHE A 71 -37.608 -10.962 16.820 1.00 0.00 N ATOM 438 CA PHE A 71 -38.803 -10.141 16.980 1.00 0.00 C ATOM 439 C PHE A 71 -40.053 -10.914 16.568 1.00 0.00 C ATOM 440 O PHE A 71 -41.047 -10.938 17.293 1.00 0.00 O ATOM 441 CB PHE A 71 -38.683 -8.862 16.150 1.00 0.00 C ATOM 442 CG PHE A 71 -39.897 -7.980 16.230 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.343 -7.501 17.451 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.592 -7.631 15.083 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.459 -6.689 17.527 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.708 -6.819 15.153 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.143 -6.349 16.377 1.00 0.00 C ATOM 0 H PHE A 71 -37.013 -10.693 16.036 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.893 -9.875 18.033 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.812 -8.300 16.487 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.506 -9.129 15.108 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.813 -7.765 18.354 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.258 -7.998 14.124 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.796 -6.321 18.485 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.240 -6.552 14.252 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.017 -5.717 16.434 1.00 0.00 H new ATOM 457 N ALA A 72 -39.993 -11.542 15.399 1.00 0.00 N ATOM 458 CA ALA A 72 -41.119 -12.317 14.890 1.00 0.00 C ATOM 459 C ALA A 72 -41.400 -13.525 15.777 1.00 0.00 C ATOM 460 O ALA A 72 -42.523 -14.027 15.822 1.00 0.00 O ATOM 461 CB ALA A 72 -40.850 -12.760 13.460 1.00 0.00 C ATOM 0 H ALA A 72 -39.178 -11.530 14.786 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.003 -11.679 14.901 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.698 -13.337 13.092 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.707 -11.883 12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.952 -13.377 13.433 1.00 0.00 H new ATOM 467 N VAL A 73 -40.371 -13.989 16.480 1.00 0.00 N ATOM 468 CA VAL A 73 -40.508 -15.138 17.367 1.00 0.00 C ATOM 469 C VAL A 73 -41.067 -14.724 18.723 1.00 0.00 C ATOM 470 O VAL A 73 -41.982 -15.358 19.249 1.00 0.00 O ATOM 471 CB VAL A 73 -39.157 -15.849 17.576 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.307 -17.001 18.558 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.602 -16.338 16.248 1.00 0.00 C ATOM 0 H VAL A 73 -39.434 -13.587 16.452 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.203 -15.827 16.887 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.450 -15.134 17.997 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.343 -17.492 18.693 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.657 -16.619 19.517 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.028 -17.720 18.169 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.648 -16.838 16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.304 -17.038 15.796 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.456 -15.489 15.580 1.00 0.00 H new ATOM 483 N TYR A 74 -40.513 -13.654 19.283 1.00 0.00 N ATOM 484 CA TYR A 74 -40.956 -13.155 20.580 1.00 0.00 C ATOM 485 C TYR A 74 -42.447 -12.837 20.561 1.00 0.00 C ATOM 486 O TYR A 74 -43.171 -13.139 21.510 1.00 0.00 O ATOM 487 CB TYR A 74 -40.161 -11.906 20.967 1.00 0.00 C ATOM 488 CG TYR A 74 -40.290 -11.535 22.427 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.445 -12.087 23.382 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.257 -10.632 22.851 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.560 -11.751 24.717 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.378 -10.289 24.184 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.528 -10.852 25.113 1.00 0.00 C ATOM 494 OH TYR A 74 -40.645 -10.514 26.442 1.00 0.00 O ATOM 0 H TYR A 74 -39.757 -13.116 18.860 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.779 -13.935 21.321 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.109 -12.068 20.734 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.497 -11.068 20.357 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.685 -12.791 23.075 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.925 -10.191 22.126 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -38.896 -12.190 25.447 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -42.134 -9.584 24.497 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.374 -9.869 26.552 1.00 0.00 H new ATOM 504 N VAL A 75 -42.901 -12.224 19.472 1.00 0.00 N ATOM 505 CA VAL A 75 -44.307 -11.865 19.326 1.00 0.00 C ATOM 506 C VAL A 75 -45.183 -13.108 19.222 1.00 0.00 C ATOM 507 O VAL A 75 -46.212 -13.213 19.891 1.00 0.00 O ATOM 508 CB VAL A 75 -44.536 -10.984 18.084 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.020 -10.716 17.885 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.762 -9.680 18.207 1.00 0.00 C ATOM 0 H VAL A 75 -42.315 -11.966 18.678 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.584 -11.302 20.217 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.168 -11.518 17.208 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.162 -10.092 17.003 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.545 -11.661 17.749 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.418 -10.202 18.760 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.935 -9.069 17.321 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.098 -9.139 19.092 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.697 -9.896 18.297 1.00 0.00 H new ATOM 520 N ARG A 76 -44.769 -14.048 18.379 1.00 0.00 N ATOM 521 CA ARG A 76 -45.517 -15.285 18.187 1.00 0.00 C ATOM 522 C ARG A 76 -45.777 -15.977 19.522 1.00 0.00 C ATOM 523 O ARG A 76 -46.830 -16.581 19.725 1.00 0.00 O ATOM 524 CB ARG A 76 -44.756 -16.226 17.252 1.00 0.00 C ATOM 525 CG ARG A 76 -44.809 -15.809 15.792 1.00 0.00 C ATOM 526 CD ARG A 76 -45.743 -16.702 14.990 1.00 0.00 C ATOM 527 NE ARG A 76 -45.771 -16.336 13.577 1.00 0.00 N ATOM 528 CZ ARG A 76 -46.195 -17.149 12.615 1.00 0.00 C ATOM 529 NH1 ARG A 76 -46.626 -18.367 12.915 1.00 0.00 N ATOM 530 NH2 ARG A 76 -46.190 -16.744 11.352 1.00 0.00 N ATOM 0 H ARG A 76 -43.920 -13.977 17.818 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.477 -15.033 17.736 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.714 -16.275 17.569 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.167 -17.231 17.349 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.143 -14.774 15.720 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.807 -15.851 15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.426 -17.740 15.089 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.750 -16.636 15.402 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.447 -15.405 13.314 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.632 -18.681 13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -46.951 -18.990 12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -45.860 -15.807 11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.516 -17.369 10.615 1.00 0.00 H new ATOM 544 N ARG A 77 -44.809 -15.884 20.428 1.00 0.00 N ATOM 545 CA ARG A 77 -44.932 -16.502 21.743 1.00 0.00 C ATOM 546 C ARG A 77 -46.178 -16.000 22.466 1.00 0.00 C ATOM 547 O ARG A 77 -46.698 -16.663 23.363 1.00 0.00 O ATOM 548 CB ARG A 77 -43.689 -16.210 22.586 1.00 0.00 C ATOM 549 CG ARG A 77 -42.436 -16.910 22.086 1.00 0.00 C ATOM 550 CD ARG A 77 -41.184 -16.345 22.738 1.00 0.00 C ATOM 551 NE ARG A 77 -40.769 -17.129 23.898 1.00 0.00 N ATOM 552 CZ ARG A 77 -39.569 -17.033 24.459 1.00 0.00 C ATOM 553 NH1 ARG A 77 -38.670 -16.190 23.969 1.00 0.00 N ATOM 554 NH2 ARG A 77 -39.266 -17.780 25.513 1.00 0.00 N ATOM 0 H ARG A 77 -43.931 -15.387 20.276 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.023 -17.579 21.603 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.513 -15.134 22.599 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.879 -16.514 23.615 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.506 -17.977 22.295 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.365 -16.801 21.004 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.375 -16.321 22.008 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.368 -15.315 23.044 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.437 -17.787 24.299 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -38.899 -15.613 23.159 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -37.749 -16.118 24.402 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -39.955 -18.429 25.893 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -38.344 -17.705 25.943 1.00 0.00 H new ATOM 568 N LYS A 78 -46.653 -14.825 22.068 1.00 0.00 N ATOM 569 CA LYS A 78 -47.839 -14.233 22.676 1.00 0.00 C ATOM 570 C LYS A 78 -49.111 -14.811 22.063 1.00 0.00 C ATOM 571 O LYS A 78 -50.122 -14.972 22.746 1.00 0.00 O ATOM 572 CB LYS A 78 -47.822 -12.713 22.502 1.00 0.00 C ATOM 573 CG LYS A 78 -47.770 -11.951 23.815 1.00 0.00 C ATOM 574 CD LYS A 78 -47.307 -10.518 23.610 1.00 0.00 C ATOM 575 CE LYS A 78 -46.124 -10.181 24.505 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.562 -9.654 25.827 1.00 0.00 N ATOM 0 H LYS A 78 -46.235 -14.263 21.326 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.828 -14.471 23.740 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.960 -12.435 21.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.711 -12.409 21.950 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.757 -11.953 24.277 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.094 -12.458 24.504 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.029 -10.370 22.567 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.130 -9.835 23.820 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.515 -11.073 24.653 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.493 -9.442 24.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.727 -9.436 26.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.122 -8.789 25.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.143 -10.368 26.310 1.00 0.00 H new ATOM 875 N LEU B 52 -10.951 -7.233 8.806 1.00 0.00 N ATOM 876 CA LEU B 52 -11.992 -8.254 8.749 1.00 0.00 C ATOM 877 C LEU B 52 -12.901 -8.173 9.970 1.00 0.00 C ATOM 878 O LEU B 52 -14.070 -7.799 9.862 1.00 0.00 O ATOM 879 CB LEU B 52 -11.364 -9.646 8.658 1.00 0.00 C ATOM 880 CG LEU B 52 -12.341 -10.819 8.571 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.154 -10.743 7.288 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.595 -12.142 8.655 1.00 0.00 C ATOM 0 HA LEU B 52 -12.594 -8.075 7.858 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.716 -9.674 7.782 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.728 -9.793 9.531 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.028 -10.758 9.415 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.844 -11.586 7.244 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.719 -9.811 7.270 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.483 -10.778 6.430 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.306 -12.965 8.591 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.884 -12.212 7.831 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.059 -12.198 9.602 1.00 0.00 H new ATOM 894 N ILE B 53 -12.357 -8.523 11.131 1.00 0.00 N ATOM 895 CA ILE B 53 -13.119 -8.486 12.373 1.00 0.00 C ATOM 896 C ILE B 53 -13.736 -7.110 12.599 1.00 0.00 C ATOM 897 O ILE B 53 -14.916 -6.994 12.930 1.00 0.00 O ATOM 898 CB ILE B 53 -12.239 -8.846 13.584 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.552 -10.195 13.360 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.074 -8.876 14.856 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.676 -10.626 14.515 1.00 0.00 C ATOM 0 H ILE B 53 -11.392 -8.835 11.237 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.913 -9.227 12.278 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.470 -8.082 13.695 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.312 -10.957 13.187 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.946 -10.139 12.456 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.438 -9.132 15.703 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.521 -7.896 15.021 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.862 -9.622 14.756 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.221 -11.590 14.287 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.893 -9.884 14.674 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.281 -10.715 15.417 1.00 0.00 H new ATOM 913 N ALA B 54 -12.931 -6.069 12.416 1.00 0.00 N ATOM 914 CA ALA B 54 -13.399 -4.700 12.596 1.00 0.00 C ATOM 915 C ALA B 54 -14.683 -4.451 11.811 1.00 0.00 C ATOM 916 O ALA B 54 -15.723 -4.140 12.389 1.00 0.00 O ATOM 917 CB ALA B 54 -12.320 -3.714 12.173 1.00 0.00 C ATOM 0 H ALA B 54 -11.951 -6.147 12.143 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.617 -4.552 13.654 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.683 -2.696 12.313 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.428 -3.868 12.780 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.075 -3.871 11.123 1.00 0.00 H new ATOM 923 N ALA B 55 -14.601 -4.590 10.492 1.00 0.00 N ATOM 924 CA ALA B 55 -15.757 -4.382 9.629 1.00 0.00 C ATOM 925 C ALA B 55 -16.959 -5.184 10.118 1.00 0.00 C ATOM 926 O ALA B 55 -18.101 -4.742 10.002 1.00 0.00 O ATOM 927 CB ALA B 55 -15.419 -4.757 8.194 1.00 0.00 C ATOM 0 H ALA B 55 -13.746 -4.846 9.998 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.020 -3.325 9.664 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.292 -4.597 7.561 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.595 -4.137 7.840 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.128 -5.806 8.151 1.00 0.00 H new ATOM 933 N GLY B 56 -16.693 -6.365 10.666 1.00 0.00 N ATOM 934 CA GLY B 56 -17.763 -7.210 11.164 1.00 0.00 C ATOM 935 C GLY B 56 -18.580 -6.533 12.247 1.00 0.00 C ATOM 936 O GLY B 56 -19.795 -6.388 12.119 1.00 0.00 O ATOM 0 H GLY B 56 -15.756 -6.752 10.774 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.418 -7.486 10.338 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.339 -8.134 11.557 1.00 0.00 H new ATOM 940 N VAL B 57 -17.911 -6.120 13.319 1.00 0.00 N ATOM 941 CA VAL B 57 -18.583 -5.455 14.430 1.00 0.00 C ATOM 942 C VAL B 57 -19.188 -4.127 13.990 1.00 0.00 C ATOM 943 O VAL B 57 -20.266 -3.744 14.445 1.00 0.00 O ATOM 944 CB VAL B 57 -17.615 -5.203 15.601 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.371 -4.692 16.818 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.844 -6.471 15.936 1.00 0.00 C ATOM 0 H VAL B 57 -16.905 -6.234 13.442 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.379 -6.121 14.763 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.899 -4.438 15.300 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.671 -4.520 17.635 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.874 -3.758 16.568 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.111 -5.432 17.124 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.165 -6.275 16.766 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.543 -7.258 16.218 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.271 -6.789 15.065 1.00 0.00 H new ATOM 956 N ILE B 58 -18.487 -3.428 13.103 1.00 0.00 N ATOM 957 CA ILE B 58 -18.957 -2.143 12.601 1.00 0.00 C ATOM 958 C ILE B 58 -20.238 -2.304 11.791 1.00 0.00 C ATOM 959 O ILE B 58 -21.203 -1.565 11.981 1.00 0.00 O ATOM 960 CB ILE B 58 -17.891 -1.458 11.725 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.654 -1.120 12.559 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.462 -0.202 11.082 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.511 -0.556 11.744 1.00 0.00 C ATOM 0 H ILE B 58 -17.592 -3.730 12.718 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.157 -1.518 13.471 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.595 -2.146 10.933 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.931 -0.400 13.329 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.315 -2.020 13.072 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.697 0.271 10.466 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.316 -0.468 10.459 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.782 0.492 11.860 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.668 -0.340 12.400 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.207 -1.283 10.991 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.833 0.362 11.252 1.00 0.00 H new ATOM 975 N GLY B 59 -20.241 -3.278 10.885 1.00 0.00 N ATOM 976 CA GLY B 59 -21.411 -3.520 10.060 1.00 0.00 C ATOM 977 C GLY B 59 -22.650 -3.814 10.883 1.00 0.00 C ATOM 978 O GLY B 59 -23.693 -3.192 10.690 1.00 0.00 O ATOM 0 H GLY B 59 -19.455 -3.903 10.708 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.595 -2.649 9.431 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.214 -4.359 9.393 1.00 0.00 H new ATOM 982 N GLY B 60 -22.535 -4.767 11.803 1.00 0.00 N ATOM 983 CA GLY B 60 -23.663 -5.126 12.642 1.00 0.00 C ATOM 984 C GLY B 60 -24.198 -3.948 13.432 1.00 0.00 C ATOM 985 O GLY B 60 -25.411 -3.773 13.556 1.00 0.00 O ATOM 0 H GLY B 60 -21.682 -5.296 11.982 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.460 -5.533 12.019 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.362 -5.915 13.331 1.00 0.00 H new ATOM 989 N LEU B 61 -23.292 -3.137 13.968 1.00 0.00 N ATOM 990 CA LEU B 61 -23.679 -1.969 14.751 1.00 0.00 C ATOM 991 C LEU B 61 -24.324 -0.909 13.865 1.00 0.00 C ATOM 992 O LEU B 61 -25.478 -0.530 14.071 1.00 0.00 O ATOM 993 CB LEU B 61 -22.459 -1.382 15.463 1.00 0.00 C ATOM 994 CG LEU B 61 -21.978 -2.136 16.703 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.645 -1.582 17.181 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.018 -2.058 17.812 1.00 0.00 C ATOM 0 H LEU B 61 -22.285 -3.267 13.875 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.409 -2.286 15.496 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.636 -1.333 14.750 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.691 -0.357 15.753 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.838 -3.183 16.436 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.319 -2.131 18.064 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.902 -1.690 16.391 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.758 -0.527 17.431 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.659 -2.600 18.687 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.190 -1.015 18.077 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.951 -2.503 17.467 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.574 -0.434 12.876 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.073 0.582 11.957 1.00 0.00 C ATOM 1010 C PHE B 62 -25.420 0.169 11.370 1.00 0.00 C ATOM 1011 O PHE B 62 -26.408 0.895 11.487 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.065 0.821 10.831 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.482 1.899 9.872 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.001 3.096 10.338 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.354 1.716 8.505 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.386 4.089 9.457 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.737 2.706 7.619 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.253 3.894 8.097 1.00 0.00 C ATOM 0 H PHE B 62 -22.618 -0.737 12.691 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.208 1.508 12.516 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.102 1.086 11.267 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.921 -0.108 10.280 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.106 3.255 11.401 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.950 0.789 8.127 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.791 5.017 9.833 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.633 2.550 6.555 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.552 4.670 7.408 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.450 -0.999 10.738 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.674 -1.508 10.132 1.00 0.00 C ATOM 1030 C ILE B 63 -27.821 -1.518 11.138 1.00 0.00 C ATOM 1031 O ILE B 63 -28.953 -1.163 10.808 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.479 -2.932 9.579 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.491 -2.917 8.411 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.813 -3.519 9.143 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.005 -2.181 7.193 1.00 0.00 C ATOM 0 H ILE B 63 -24.641 -1.611 10.632 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.921 -0.838 9.308 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.069 -3.560 10.370 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.560 -2.454 8.739 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.255 -3.944 8.132 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.658 -4.526 8.755 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.489 -3.560 9.997 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.249 -2.893 8.365 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.252 -2.211 6.405 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.920 -2.657 6.839 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.214 -1.144 7.456 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.520 -1.927 12.365 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.526 -1.982 13.421 1.00 0.00 C ATOM 1049 C LEU B 64 -28.991 -0.580 13.804 1.00 0.00 C ATOM 1050 O LEU B 64 -30.169 -0.361 14.087 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.964 -2.698 14.650 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.056 -4.225 14.638 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.198 -4.820 15.743 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.503 -4.673 14.783 1.00 0.00 C ATOM 0 H LEU B 64 -26.588 -2.225 12.654 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.384 -2.539 13.043 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.916 -2.418 14.761 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.488 -2.329 15.532 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.680 -4.585 13.681 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.276 -5.907 15.719 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.159 -4.527 15.594 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.543 -4.453 16.709 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.550 -5.762 14.772 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.906 -4.302 15.725 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.091 -4.277 13.955 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.058 0.367 13.807 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.373 1.748 14.152 1.00 0.00 C ATOM 1068 C VAL B 65 -29.453 2.311 13.235 1.00 0.00 C ATOM 1069 O VAL B 65 -30.419 2.918 13.697 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.124 2.646 14.067 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.485 4.092 14.371 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.044 2.147 15.015 1.00 0.00 C ATOM 0 H VAL B 65 -27.078 0.203 13.575 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.739 1.742 15.179 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.733 2.600 13.051 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.591 4.712 14.306 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.222 4.443 13.649 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.901 4.160 15.376 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.169 2.793 14.942 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.422 2.162 16.037 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.766 1.128 14.746 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.283 2.104 11.933 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.244 2.589 10.951 1.00 0.00 C ATOM 1084 C ILE B 66 -31.598 1.907 11.123 1.00 0.00 C ATOM 1085 O ILE B 66 -32.619 2.569 11.311 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.745 2.358 9.513 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.362 2.986 9.323 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.735 2.932 8.510 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.292 1.986 8.945 1.00 0.00 C ATOM 0 H ILE B 66 -28.489 1.604 11.534 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.355 3.660 11.121 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.663 1.285 9.340 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.422 3.751 8.549 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.070 3.488 10.245 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.368 2.761 7.498 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.702 2.444 8.633 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.845 4.003 8.680 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.338 2.501 8.827 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.204 1.234 9.729 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.562 1.502 8.006 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.597 0.580 11.059 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.825 -0.193 11.210 1.00 0.00 C ATOM 1103 C VAL B 67 -33.548 0.172 12.501 1.00 0.00 C ATOM 1104 O VAL B 67 -34.729 0.520 12.487 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.539 -1.707 11.206 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.839 -2.496 11.236 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.703 -2.087 9.993 1.00 0.00 C ATOM 0 H VAL B 67 -30.761 0.017 10.904 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.460 0.052 10.359 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.971 -1.955 12.103 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.617 -3.563 11.233 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.397 -2.244 12.138 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.436 -2.247 10.359 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.510 -3.160 10.006 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.243 -1.826 9.083 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.756 -1.548 10.020 1.00 0.00 H new