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= 1.29 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.0121 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -11.994 -10.062 2.581 1.00 0.00 N ATOM 142 CA PRO A 51 -12.579 -10.307 3.902 1.00 0.00 C ATOM 143 C PRO A 51 -13.253 -9.066 4.477 1.00 0.00 C ATOM 144 O PRO A 51 -14.315 -9.154 5.096 1.00 0.00 O ATOM 145 CB PRO A 51 -11.372 -10.704 4.756 1.00 0.00 C ATOM 146 CG PRO A 51 -10.206 -10.066 4.084 1.00 0.00 C ATOM 147 CD PRO A 51 -10.522 -10.072 2.613 1.00 0.00 C ATOM 0 HA PRO A 51 -13.362 -11.065 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.480 -10.351 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.259 -11.787 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.055 -9.049 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.288 -10.617 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.103 -9.201 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.115 -10.954 2.118 1.00 0.00 H new ATOM 155 N LEU A 52 -12.632 -7.911 4.268 1.00 0.00 N ATOM 156 CA LEU A 52 -13.173 -6.650 4.765 1.00 0.00 C ATOM 157 C LEU A 52 -14.597 -6.434 4.264 1.00 0.00 C ATOM 158 O LEU A 52 -15.552 -6.471 5.041 1.00 0.00 O ATOM 159 CB LEU A 52 -12.284 -5.484 4.330 1.00 0.00 C ATOM 160 CG LEU A 52 -12.897 -4.089 4.457 1.00 0.00 C ATOM 161 CD1 LEU A 52 -13.194 -3.767 5.913 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.970 -3.042 3.855 1.00 0.00 C ATOM 0 H LEU A 52 -11.753 -7.821 3.758 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.194 -6.696 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.368 -5.512 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.998 -5.640 3.290 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.836 -4.074 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.630 -2.770 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.896 -4.499 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.269 -3.800 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.422 -2.055 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.014 -3.058 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.809 -3.263 2.800 1.00 0.00 H new ATOM 174 N ILE A 53 -14.733 -6.209 2.961 1.00 0.00 N ATOM 175 CA ILE A 53 -16.041 -5.990 2.356 1.00 0.00 C ATOM 176 C ILE A 53 -16.991 -7.141 2.670 1.00 0.00 C ATOM 177 O ILE A 53 -18.130 -6.924 3.082 1.00 0.00 O ATOM 178 CB ILE A 53 -15.935 -5.829 0.828 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.940 -4.720 0.478 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.301 -5.530 0.231 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.779 -4.500 -1.010 1.00 0.00 C ATOM 0 H ILE A 53 -13.953 -6.174 2.304 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.436 -5.068 2.783 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.572 -6.765 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.268 -3.789 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.969 -4.965 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.209 -5.419 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.983 -6.350 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.691 -4.606 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.059 -3.700 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.421 -5.418 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.740 -4.224 -1.443 1.00 0.00 H new ATOM 193 N ALA A 54 -16.514 -8.366 2.474 1.00 0.00 N ATOM 194 CA ALA A 54 -17.319 -9.551 2.739 1.00 0.00 C ATOM 195 C ALA A 54 -17.913 -9.508 4.143 1.00 0.00 C ATOM 196 O ALA A 54 -19.132 -9.522 4.312 1.00 0.00 O ATOM 197 CB ALA A 54 -16.483 -10.809 2.556 1.00 0.00 C ATOM 0 H ALA A 54 -15.573 -8.563 2.132 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.142 -9.568 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.097 -11.687 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.111 -10.853 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.640 -10.790 3.247 1.00 0.00 H new ATOM 203 N ALA A 55 -17.044 -9.455 5.147 1.00 0.00 N ATOM 204 CA ALA A 55 -17.483 -9.409 6.536 1.00 0.00 C ATOM 205 C ALA A 55 -18.512 -8.304 6.750 1.00 0.00 C ATOM 206 O ALA A 55 -19.417 -8.436 7.572 1.00 0.00 O ATOM 207 CB ALA A 55 -16.291 -9.209 7.460 1.00 0.00 C ATOM 0 H ALA A 55 -16.031 -9.443 5.024 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.957 -10.362 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.634 -9.177 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.591 -10.035 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.793 -8.271 7.213 1.00 0.00 H new ATOM 213 N GLY A 56 -18.366 -7.213 6.004 1.00 0.00 N ATOM 214 CA GLY A 56 -19.289 -6.100 6.128 1.00 0.00 C ATOM 215 C GLY A 56 -20.714 -6.489 5.787 1.00 0.00 C ATOM 216 O GLY A 56 -21.621 -6.331 6.604 1.00 0.00 O ATOM 0 H GLY A 56 -17.625 -7.080 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.255 -5.715 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.969 -5.291 5.471 1.00 0.00 H new ATOM 220 N VAL A 57 -20.913 -6.997 4.574 1.00 0.00 N ATOM 221 CA VAL A 57 -22.238 -7.408 4.126 1.00 0.00 C ATOM 222 C VAL A 57 -22.751 -8.590 4.940 1.00 0.00 C ATOM 223 O VAL A 57 -23.943 -8.681 5.237 1.00 0.00 O ATOM 224 CB VAL A 57 -22.231 -7.791 2.634 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.649 -8.028 2.137 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.542 -6.713 1.811 1.00 0.00 C ATOM 0 H VAL A 57 -20.173 -7.133 3.885 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.901 -6.555 4.272 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.671 -8.719 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.624 -8.297 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.104 -8.838 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.236 -7.119 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.546 -7.000 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.073 -5.768 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.513 -6.597 2.152 1.00 0.00 H new ATOM 236 N ILE A 58 -21.845 -9.493 5.299 1.00 0.00 N ATOM 237 CA ILE A 58 -22.206 -10.668 6.081 1.00 0.00 C ATOM 238 C ILE A 58 -22.679 -10.276 7.477 1.00 0.00 C ATOM 239 O ILE A 58 -23.738 -10.708 7.929 1.00 0.00 O ATOM 240 CB ILE A 58 -21.022 -11.646 6.208 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.643 -12.203 4.834 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.369 -12.775 7.166 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.402 -13.067 4.854 1.00 0.00 C ATOM 0 H ILE A 58 -20.855 -9.433 5.060 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.020 -11.162 5.550 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.164 -11.106 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.477 -12.788 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.487 -11.373 4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.523 -13.458 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.595 -12.362 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.238 -13.316 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.193 -13.427 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.556 -12.480 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.561 -13.917 5.517 1.00 0.00 H new ATOM 255 N GLY A 59 -21.885 -9.453 8.155 1.00 0.00 N ATOM 256 CA GLY A 59 -22.240 -9.014 9.492 1.00 0.00 C ATOM 257 C GLY A 59 -23.607 -8.362 9.545 1.00 0.00 C ATOM 258 O GLY A 59 -24.453 -8.742 10.352 1.00 0.00 O ATOM 0 H GLY A 59 -21.002 -9.083 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.222 -9.869 10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.490 -8.308 9.850 1.00 0.00 H new ATOM 262 N GLY A 60 -23.823 -7.374 8.681 1.00 0.00 N ATOM 263 CA GLY A 60 -25.098 -6.682 8.650 1.00 0.00 C ATOM 264 C GLY A 60 -26.264 -7.622 8.415 1.00 0.00 C ATOM 265 O GLY A 60 -27.306 -7.505 9.061 1.00 0.00 O ATOM 0 H GLY A 60 -23.138 -7.041 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.245 -6.155 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.079 -5.928 7.863 1.00 0.00 H new ATOM 269 N LEU A 61 -26.089 -8.557 7.488 1.00 0.00 N ATOM 270 CA LEU A 61 -27.136 -9.522 7.168 1.00 0.00 C ATOM 271 C LEU A 61 -27.369 -10.479 8.332 1.00 0.00 C ATOM 272 O LEU A 61 -28.473 -10.564 8.869 1.00 0.00 O ATOM 273 CB LEU A 61 -26.763 -10.310 5.911 1.00 0.00 C ATOM 274 CG LEU A 61 -26.908 -9.565 4.584 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.254 -10.350 3.457 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.376 -9.307 4.275 1.00 0.00 C ATOM 0 H LEU A 61 -25.233 -8.668 6.945 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.059 -8.972 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.729 -10.641 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.382 -11.206 5.871 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.401 -8.604 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.367 -9.804 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.194 -10.483 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.732 -11.326 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.460 -8.776 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.906 -10.257 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.814 -8.703 5.069 1.00 0.00 H new ATOM 288 N PHE A 62 -26.320 -11.198 8.719 1.00 0.00 N ATOM 289 CA PHE A 62 -26.410 -12.149 9.821 1.00 0.00 C ATOM 290 C PHE A 62 -27.026 -11.496 11.054 1.00 0.00 C ATOM 291 O PHE A 62 -28.024 -11.978 11.592 1.00 0.00 O ATOM 292 CB PHE A 62 -25.023 -12.700 10.161 1.00 0.00 C ATOM 293 CG PHE A 62 -25.039 -13.728 11.256 1.00 0.00 C ATOM 294 CD1 PHE A 62 -25.996 -14.731 11.270 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.097 -13.692 12.272 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.013 -15.678 12.276 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.109 -14.637 13.280 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.069 -15.631 13.283 1.00 0.00 C ATOM 0 H PHE A 62 -25.398 -11.140 8.286 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.054 -12.971 9.507 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.587 -13.142 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.376 -11.875 10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.737 -14.773 10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.345 -12.917 12.276 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.764 -16.454 12.275 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.368 -14.599 14.065 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.081 -16.369 14.071 1.00 0.00 H new ATOM 308 N ILE A 63 -26.425 -10.397 11.497 1.00 0.00 N ATOM 309 CA ILE A 63 -26.915 -9.677 12.666 1.00 0.00 C ATOM 310 C ILE A 63 -28.402 -9.365 12.537 1.00 0.00 C ATOM 311 O ILE A 63 -29.167 -9.529 13.488 1.00 0.00 O ATOM 312 CB ILE A 63 -26.142 -8.362 12.882 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.692 -8.655 13.270 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.822 -7.518 13.950 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.548 -9.298 14.632 1.00 0.00 C ATOM 0 H ILE A 63 -25.598 -9.986 11.064 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.757 -10.327 13.526 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.141 -7.800 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.249 -9.310 12.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.125 -7.724 13.255 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.265 -6.592 14.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.839 -7.285 13.636 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.850 -8.072 14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.493 -9.477 14.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.961 -8.635 15.393 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.086 -10.246 14.646 1.00 0.00 H new ATOM 327 N LEU A 64 -28.805 -8.917 11.353 1.00 0.00 N ATOM 328 CA LEU A 64 -30.202 -8.583 11.097 1.00 0.00 C ATOM 329 C LEU A 64 -31.076 -9.832 11.136 1.00 0.00 C ATOM 330 O LEU A 64 -32.217 -9.791 11.597 1.00 0.00 O ATOM 331 CB LEU A 64 -30.341 -7.891 9.741 1.00 0.00 C ATOM 332 CG LEU A 64 -29.902 -6.427 9.686 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.759 -5.966 8.243 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.890 -5.545 10.434 1.00 0.00 C ATOM 0 H LEU A 64 -28.185 -8.777 10.556 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.537 -7.903 11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.760 -8.451 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.385 -7.948 9.432 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.930 -6.341 10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.446 -4.922 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.012 -6.578 7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.717 -6.067 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.561 -4.507 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.876 -5.636 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.942 -5.859 11.476 1.00 0.00 H new ATOM 346 N VAL A 65 -30.533 -10.944 10.649 1.00 0.00 N ATOM 347 CA VAL A 65 -31.262 -12.206 10.631 1.00 0.00 C ATOM 348 C VAL A 65 -31.701 -12.608 12.034 1.00 0.00 C ATOM 349 O VAL A 65 -32.850 -12.996 12.248 1.00 0.00 O ATOM 350 CB VAL A 65 -30.408 -13.338 10.028 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.159 -14.660 10.082 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.008 -13.001 8.600 1.00 0.00 C ATOM 0 H VAL A 65 -29.591 -10.996 10.262 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.143 -12.054 10.008 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.499 -13.439 10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.540 -15.448 9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.390 -14.905 11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.086 -14.576 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.405 -13.811 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.904 -12.871 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.428 -12.078 8.593 1.00 0.00 H new ATOM 362 N ILE A 66 -30.780 -12.512 12.987 1.00 0.00 N ATOM 363 CA ILE A 66 -31.073 -12.864 14.370 1.00 0.00 C ATOM 364 C ILE A 66 -32.091 -11.905 14.978 1.00 0.00 C ATOM 365 O ILE A 66 -33.150 -12.322 15.447 1.00 0.00 O ATOM 366 CB ILE A 66 -29.798 -12.858 15.235 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.726 -13.752 14.609 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.116 -13.315 16.651 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.460 -13.010 14.241 1.00 0.00 C ATOM 0 H ILE A 66 -29.825 -12.193 12.826 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.489 -13.871 14.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.413 -11.839 15.281 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.479 -14.552 15.307 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.134 -14.223 13.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.205 -13.305 17.250 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.849 -12.641 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.522 -14.326 16.624 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.745 -13.706 13.803 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.694 -12.227 13.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.028 -12.561 15.136 1.00 0.00 H new ATOM 381 N VAL A 67 -31.764 -10.617 14.964 1.00 0.00 N ATOM 382 CA VAL A 67 -32.650 -9.597 15.511 1.00 0.00 C ATOM 383 C VAL A 67 -34.044 -9.697 14.902 1.00 0.00 C ATOM 384 O VAL A 67 -35.040 -9.795 15.617 1.00 0.00 O ATOM 385 CB VAL A 67 -32.096 -8.181 15.266 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.957 -7.141 15.967 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.650 -8.088 15.729 1.00 0.00 C ATOM 0 H VAL A 67 -30.891 -10.255 14.579 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.711 -9.774 16.585 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.125 -7.979 14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.550 -6.147 15.782 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.976 -7.193 15.583 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.963 -7.337 17.039 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.274 -7.081 15.549 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.594 -8.311 16.795 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.044 -8.806 15.176 1.00 0.00 H new ATOM 397 N GLY A 68 -34.108 -9.672 13.574 1.00 0.00 N ATOM 398 CA GLY A 68 -35.385 -9.762 12.890 1.00 0.00 C ATOM 399 C GLY A 68 -36.209 -10.946 13.354 1.00 0.00 C ATOM 400 O GLY A 68 -37.338 -10.782 13.819 1.00 0.00 O ATOM 0 H GLY A 68 -33.298 -9.591 12.960 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.948 -8.844 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.214 -9.841 11.816 1.00 0.00 H new ATOM 404 N LEU A 69 -35.646 -12.143 13.226 1.00 0.00 N ATOM 405 CA LEU A 69 -36.338 -13.361 13.635 1.00 0.00 C ATOM 406 C LEU A 69 -36.732 -13.296 15.107 1.00 0.00 C ATOM 407 O LEU A 69 -37.851 -13.650 15.478 1.00 0.00 O ATOM 408 CB LEU A 69 -35.451 -14.582 13.386 1.00 0.00 C ATOM 409 CG LEU A 69 -35.315 -15.027 11.929 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.406 -16.242 11.825 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.683 -15.330 11.335 1.00 0.00 C ATOM 0 H LEU A 69 -34.713 -12.296 12.843 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.246 -13.451 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.455 -14.368 13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.846 -15.417 13.965 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.866 -14.213 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.321 -16.545 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.418 -15.992 12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.827 -17.062 12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.568 -15.645 10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.159 -16.127 11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.304 -14.435 11.375 1.00 0.00 H new ATOM 423 N THR A 70 -35.804 -12.839 15.943 1.00 0.00 N ATOM 424 CA THR A 70 -36.054 -12.726 17.374 1.00 0.00 C ATOM 425 C THR A 70 -37.343 -11.959 17.648 1.00 0.00 C ATOM 426 O THR A 70 -38.085 -12.284 18.575 1.00 0.00 O ATOM 427 CB THR A 70 -34.889 -12.022 18.094 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.709 -12.831 18.023 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.237 -11.752 19.550 1.00 0.00 C ATOM 0 H THR A 70 -34.873 -12.541 15.653 1.00 0.00 H new ATOM 0 HA THR A 70 -36.149 -13.741 17.759 1.00 0.00 H new ATOM 0 HB THR A 70 -34.707 -11.069 17.597 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.342 -12.795 17.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.399 -11.254 20.038 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.118 -11.113 19.601 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.443 -12.695 20.056 1.00 0.00 H new ATOM 437 N PHE A 71 -37.604 -10.940 16.836 1.00 0.00 N ATOM 438 CA PHE A 71 -38.804 -10.127 16.991 1.00 0.00 C ATOM 439 C PHE A 71 -40.048 -10.907 16.576 1.00 0.00 C ATOM 440 O PHE A 71 -41.032 -10.965 17.313 1.00 0.00 O ATOM 441 CB PHE A 71 -38.690 -8.847 16.160 1.00 0.00 C ATOM 442 CG PHE A 71 -39.810 -7.875 16.399 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.969 -7.934 15.641 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.705 -6.904 17.381 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.001 -7.040 15.859 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.733 -6.007 17.602 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.883 -6.077 16.841 1.00 0.00 C ATOM 0 H PHE A 71 -37.000 -10.658 16.064 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.898 -9.861 18.044 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.742 -8.359 16.387 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.668 -9.111 15.103 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.067 -8.686 14.872 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.809 -6.847 17.981 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.899 -7.095 15.261 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.637 -5.252 18.369 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.689 -5.379 17.014 1.00 0.00 H new ATOM 457 N ALA A 72 -39.995 -11.506 15.391 1.00 0.00 N ATOM 458 CA ALA A 72 -41.116 -12.284 14.877 1.00 0.00 C ATOM 459 C ALA A 72 -41.408 -13.483 15.773 1.00 0.00 C ATOM 460 O ALA A 72 -42.546 -13.944 15.859 1.00 0.00 O ATOM 461 CB ALA A 72 -40.832 -12.742 13.455 1.00 0.00 C ATOM 0 H ALA A 72 -39.188 -11.468 14.769 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.999 -11.644 14.871 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.677 -13.322 13.084 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.680 -11.872 12.816 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.935 -13.361 13.444 1.00 0.00 H new ATOM 467 N VAL A 73 -40.373 -13.984 16.439 1.00 0.00 N ATOM 468 CA VAL A 73 -40.518 -15.130 17.329 1.00 0.00 C ATOM 469 C VAL A 73 -41.104 -14.711 18.673 1.00 0.00 C ATOM 470 O VAL A 73 -42.060 -15.315 19.160 1.00 0.00 O ATOM 471 CB VAL A 73 -39.168 -15.832 17.567 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.326 -16.972 18.561 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.591 -16.336 16.253 1.00 0.00 C ATOM 0 H VAL A 73 -39.424 -13.614 16.379 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.199 -15.826 16.839 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.472 -15.108 17.990 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.362 -17.456 18.716 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.692 -16.579 19.510 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.038 -17.699 18.171 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.637 -16.829 16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.284 -17.045 15.800 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.438 -15.495 15.576 1.00 0.00 H new ATOM 483 N TYR A 74 -40.526 -13.673 19.266 1.00 0.00 N ATOM 484 CA TYR A 74 -40.990 -13.173 20.555 1.00 0.00 C ATOM 485 C TYR A 74 -42.482 -12.859 20.513 1.00 0.00 C ATOM 486 O TYR A 74 -43.221 -13.171 21.447 1.00 0.00 O ATOM 487 CB TYR A 74 -40.205 -11.922 20.953 1.00 0.00 C ATOM 488 CG TYR A 74 -40.361 -11.547 22.409 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.581 -11.102 22.905 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.290 -11.637 23.289 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.728 -10.758 24.235 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.429 -11.296 24.621 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.649 -10.857 25.089 1.00 0.00 C ATOM 494 OH TYR A 74 -40.791 -10.515 26.414 1.00 0.00 O ATOM 0 H TYR A 74 -39.735 -13.161 18.875 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.822 -13.951 21.299 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.148 -12.083 20.739 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.532 -11.086 20.334 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.428 -11.024 22.240 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.332 -11.979 22.926 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.683 -10.413 24.604 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.586 -11.373 25.292 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.937 -10.643 26.878 1.00 0.00 H new ATOM 504 N VAL A 75 -42.919 -12.240 19.421 1.00 0.00 N ATOM 505 CA VAL A 75 -44.323 -11.884 19.253 1.00 0.00 C ATOM 506 C VAL A 75 -45.196 -13.129 19.144 1.00 0.00 C ATOM 507 O VAL A 75 -46.231 -13.233 19.803 1.00 0.00 O ATOM 508 CB VAL A 75 -44.536 -11.010 18.003 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.018 -10.762 17.771 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.781 -9.696 18.137 1.00 0.00 C ATOM 0 H VAL A 75 -42.320 -11.974 18.639 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.613 -11.316 20.137 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.142 -11.542 17.137 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.149 -10.143 16.884 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.528 -11.714 17.627 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.441 -10.251 18.636 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.943 -9.091 17.245 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.143 -9.156 19.012 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.716 -9.898 18.250 1.00 0.00 H new ATOM 520 N ARG A 76 -44.772 -14.071 18.309 1.00 0.00 N ATOM 521 CA ARG A 76 -45.515 -15.310 18.113 1.00 0.00 C ATOM 522 C ARG A 76 -45.786 -15.998 19.448 1.00 0.00 C ATOM 523 O ARG A 76 -46.839 -16.606 19.642 1.00 0.00 O ATOM 524 CB ARG A 76 -44.742 -16.253 17.189 1.00 0.00 C ATOM 525 CG ARG A 76 -44.774 -15.835 15.728 1.00 0.00 C ATOM 526 CD ARG A 76 -43.635 -16.467 14.943 1.00 0.00 C ATOM 527 NE ARG A 76 -43.327 -15.718 13.728 1.00 0.00 N ATOM 528 CZ ARG A 76 -42.512 -16.163 12.777 1.00 0.00 C ATOM 529 NH1 ARG A 76 -41.927 -17.346 12.901 1.00 0.00 N ATOM 530 NH2 ARG A 76 -42.281 -15.423 11.700 1.00 0.00 N ATOM 0 H ARG A 76 -43.917 -14.000 17.757 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.470 -15.062 17.651 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.705 -16.304 17.521 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.156 -17.257 17.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.727 -16.125 15.286 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.708 -14.749 15.657 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -42.746 -16.519 15.572 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -43.900 -17.491 14.680 1.00 0.00 H new ATOM 0 HE ARG A 76 -43.761 -14.804 13.602 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -42.102 -17.917 13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -41.302 -17.685 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -42.729 -14.512 11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -41.655 -15.765 10.971 1.00 0.00 H new ATOM 544 N ARG A 77 -44.829 -15.898 20.365 1.00 0.00 N ATOM 545 CA ARG A 77 -44.964 -16.512 21.680 1.00 0.00 C ATOM 546 C ARG A 77 -46.219 -16.011 22.388 1.00 0.00 C ATOM 547 O ARG A 77 -46.745 -16.671 23.285 1.00 0.00 O ATOM 548 CB ARG A 77 -43.730 -16.214 22.534 1.00 0.00 C ATOM 549 CG ARG A 77 -42.454 -16.845 22.002 1.00 0.00 C ATOM 550 CD ARG A 77 -41.600 -17.408 23.127 1.00 0.00 C ATOM 551 NE ARG A 77 -41.399 -16.439 24.200 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.493 -15.469 24.154 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.708 -15.340 23.094 1.00 0.00 N ATOM 554 NH2 ARG A 77 -40.370 -14.625 25.171 1.00 0.00 N ATOM 0 H ARG A 77 -43.952 -15.398 20.221 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.051 -17.590 21.543 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.593 -15.134 22.595 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.906 -16.571 23.549 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.705 -17.641 21.301 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.883 -16.101 21.447 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -42.076 -18.302 23.530 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -40.632 -17.714 22.729 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.987 -16.511 25.031 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.799 -15.987 22.310 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -39.013 -14.594 23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -40.972 -14.721 25.989 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.674 -13.880 25.135 1.00 0.00 H new ATOM 568 N LYS A 78 -46.695 -14.840 21.979 1.00 0.00 N ATOM 569 CA LYS A 78 -47.888 -14.249 22.573 1.00 0.00 C ATOM 570 C LYS A 78 -49.152 -14.839 21.955 1.00 0.00 C ATOM 571 O LYS A 78 -50.175 -14.978 22.625 1.00 0.00 O ATOM 572 CB LYS A 78 -47.877 -12.730 22.386 1.00 0.00 C ATOM 573 CG LYS A 78 -47.847 -11.956 23.693 1.00 0.00 C ATOM 574 CD LYS A 78 -47.388 -10.523 23.482 1.00 0.00 C ATOM 575 CE LYS A 78 -46.214 -10.176 24.383 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.566 -10.297 25.825 1.00 0.00 N ATOM 0 H LYS A 78 -46.272 -14.281 21.238 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.885 -14.477 23.639 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -47.008 -12.452 21.789 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.760 -12.436 21.819 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.841 -11.958 24.141 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.179 -12.453 24.396 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.103 -10.381 22.440 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.215 -9.842 23.682 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.376 -10.835 24.157 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.884 -9.158 24.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.871 -9.775 26.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.514 -9.901 25.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.559 -11.300 26.101 1.00 0.00 H new ATOM 875 N LEU B 52 -11.055 -6.511 8.482 1.00 0.00 N ATOM 876 CA LEU B 52 -11.994 -7.627 8.461 1.00 0.00 C ATOM 877 C LEU B 52 -12.836 -7.654 9.733 1.00 0.00 C ATOM 878 O LEU B 52 -14.042 -7.410 9.696 1.00 0.00 O ATOM 879 CB LEU B 52 -11.241 -8.950 8.306 1.00 0.00 C ATOM 880 CG LEU B 52 -12.028 -10.214 8.652 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.220 -10.373 7.722 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.127 -11.439 8.581 1.00 0.00 C ATOM 0 HA LEU B 52 -12.660 -7.493 7.609 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.897 -9.031 7.275 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.352 -8.915 8.936 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.400 -10.119 9.672 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.768 -11.278 7.984 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.877 -9.509 7.822 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.871 -10.446 6.692 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -11.704 -12.330 8.830 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.725 -11.537 7.573 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.306 -11.328 9.289 1.00 0.00 H new ATOM 894 N ILE B 53 -12.191 -7.951 10.856 1.00 0.00 N ATOM 895 CA ILE B 53 -12.880 -8.006 12.140 1.00 0.00 C ATOM 896 C ILE B 53 -13.599 -6.694 12.435 1.00 0.00 C ATOM 897 O ILE B 53 -14.769 -6.688 12.815 1.00 0.00 O ATOM 898 CB ILE B 53 -11.903 -8.314 13.290 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.124 -9.598 12.998 1.00 0.00 C ATOM 900 CG2 ILE B 53 -12.656 -8.433 14.607 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.133 -9.963 14.080 1.00 0.00 C ATOM 0 H ILE B 53 -11.193 -8.157 10.903 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.612 -8.811 12.071 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.192 -7.492 13.373 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -11.829 -10.420 12.870 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.592 -9.484 12.053 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -11.952 -8.651 15.410 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.169 -7.495 14.819 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.387 -9.239 14.537 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -9.617 -10.883 13.806 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.405 -9.159 14.193 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -10.661 -10.110 15.022 1.00 0.00 H new ATOM 913 N ALA B 54 -12.890 -5.585 12.256 1.00 0.00 N ATOM 914 CA ALA B 54 -13.461 -4.266 12.500 1.00 0.00 C ATOM 915 C ALA B 54 -14.774 -4.089 11.746 1.00 0.00 C ATOM 916 O ALA B 54 -15.817 -3.835 12.347 1.00 0.00 O ATOM 917 CB ALA B 54 -12.471 -3.180 12.103 1.00 0.00 C ATOM 0 H ALA B 54 -11.919 -5.573 11.943 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.670 -4.179 13.566 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.911 -2.200 12.291 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.559 -3.287 12.690 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.233 -3.274 11.043 1.00 0.00 H new ATOM 923 N ALA B 55 -14.716 -4.223 10.425 1.00 0.00 N ATOM 924 CA ALA B 55 -15.901 -4.079 9.589 1.00 0.00 C ATOM 925 C ALA B 55 -17.044 -4.947 10.103 1.00 0.00 C ATOM 926 O ALA B 55 -18.209 -4.557 10.039 1.00 0.00 O ATOM 927 CB ALA B 55 -15.575 -4.433 8.145 1.00 0.00 C ATOM 0 H ALA B 55 -13.860 -4.431 9.911 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.222 -3.038 9.633 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.469 -4.321 7.532 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.795 -3.768 7.774 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.226 -5.464 8.093 1.00 0.00 H new ATOM 933 N GLY B 56 -16.703 -6.127 10.612 1.00 0.00 N ATOM 934 CA GLY B 56 -17.713 -7.032 11.129 1.00 0.00 C ATOM 935 C GLY B 56 -18.517 -6.419 12.258 1.00 0.00 C ATOM 936 O GLY B 56 -19.742 -6.326 12.178 1.00 0.00 O ATOM 0 H GLY B 56 -15.745 -6.472 10.676 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.387 -7.319 10.322 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.232 -7.944 11.483 1.00 0.00 H new ATOM 940 N VAL B 57 -17.828 -5.999 13.314 1.00 0.00 N ATOM 941 CA VAL B 57 -18.486 -5.392 14.465 1.00 0.00 C ATOM 942 C VAL B 57 -19.163 -4.080 14.082 1.00 0.00 C ATOM 943 O VAL B 57 -20.251 -3.767 14.567 1.00 0.00 O ATOM 944 CB VAL B 57 -17.488 -5.127 15.608 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.220 -4.678 16.863 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.653 -6.368 15.883 1.00 0.00 C ATOM 0 H VAL B 57 -16.814 -6.068 13.396 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.240 -6.101 14.808 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.816 -4.325 15.302 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.499 -4.496 17.659 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.770 -3.760 16.655 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -18.917 -5.456 17.176 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -15.953 -6.163 16.693 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.308 -7.191 16.168 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.099 -6.640 14.985 1.00 0.00 H new ATOM 956 N ILE B 58 -18.512 -3.318 13.210 1.00 0.00 N ATOM 957 CA ILE B 58 -19.052 -2.041 12.760 1.00 0.00 C ATOM 958 C ILE B 58 -20.353 -2.235 11.989 1.00 0.00 C ATOM 959 O ILE B 58 -21.347 -1.556 12.247 1.00 0.00 O ATOM 960 CB ILE B 58 -18.048 -1.287 11.869 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.808 -0.898 12.676 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.699 -0.054 11.262 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.709 -0.283 11.838 1.00 0.00 C ATOM 0 H ILE B 58 -17.610 -3.563 12.801 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.247 -1.449 13.654 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.739 -1.947 11.058 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.098 -0.192 13.455 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.419 -1.784 13.178 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.976 0.468 10.635 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.554 -0.355 10.657 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -19.034 0.610 12.059 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.862 -0.032 12.476 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.391 -0.995 11.076 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -16.081 0.622 11.357 1.00 0.00 H new ATOM 975 N GLY B 59 -20.341 -3.168 11.042 1.00 0.00 N ATOM 976 CA GLY B 59 -21.526 -3.436 10.249 1.00 0.00 C ATOM 977 C GLY B 59 -22.725 -3.800 11.103 1.00 0.00 C ATOM 978 O GLY B 59 -23.798 -3.217 10.958 1.00 0.00 O ATOM 0 H GLY B 59 -19.531 -3.743 10.810 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.764 -2.558 9.649 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.318 -4.250 9.554 1.00 0.00 H new ATOM 982 N GLY B 60 -22.542 -4.769 11.995 1.00 0.00 N ATOM 983 CA GLY B 60 -23.627 -5.195 12.860 1.00 0.00 C ATOM 984 C GLY B 60 -24.199 -4.053 13.677 1.00 0.00 C ATOM 985 O GLY B 60 -25.416 -3.929 13.817 1.00 0.00 O ATOM 0 H GLY B 60 -21.662 -5.266 12.134 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.418 -5.637 12.254 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.267 -5.974 13.532 1.00 0.00 H new ATOM 989 N LEU B 61 -23.320 -3.218 14.219 1.00 0.00 N ATOM 990 CA LEU B 61 -23.744 -2.081 15.029 1.00 0.00 C ATOM 991 C LEU B 61 -24.438 -1.029 14.170 1.00 0.00 C ATOM 992 O LEU B 61 -25.603 -0.700 14.393 1.00 0.00 O ATOM 993 CB LEU B 61 -22.541 -1.461 15.742 1.00 0.00 C ATOM 994 CG LEU B 61 -22.063 -2.181 17.003 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.720 -1.630 17.457 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.096 -2.055 18.113 1.00 0.00 C ATOM 0 H LEU B 61 -22.309 -3.306 14.113 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.454 -2.441 15.773 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.711 -1.415 15.037 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.791 -0.434 16.007 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.938 -3.238 16.769 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.396 -2.155 18.356 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.982 -1.773 16.668 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.818 -0.566 17.674 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.739 -2.573 19.003 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.254 -1.002 18.345 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -24.036 -2.499 17.787 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.715 -0.506 13.184 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.261 0.507 12.290 1.00 0.00 C ATOM 1010 C PHE B 62 -25.596 0.055 11.706 1.00 0.00 C ATOM 1011 O PHE B 62 -26.613 0.734 11.854 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.274 0.808 11.161 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.741 1.888 10.227 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.287 3.061 10.722 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.634 1.729 8.855 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.717 4.057 9.866 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.062 2.722 7.994 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.605 3.886 8.500 1.00 0.00 C ATOM 0 H PHE B 62 -22.750 -0.768 12.985 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.427 1.415 12.870 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.318 1.102 11.594 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.098 -0.104 10.590 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.378 3.199 11.789 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.212 0.820 8.454 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.140 4.967 10.264 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.972 2.587 6.926 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.942 4.662 7.829 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.585 -1.096 11.041 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.794 -1.640 10.435 1.00 0.00 C ATOM 1030 C ILE B 63 -27.929 -1.722 11.451 1.00 0.00 C ATOM 1031 O ILE B 63 -29.078 -1.406 11.140 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.546 -3.041 9.845 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.565 -2.958 8.674 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.859 -3.667 9.400 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.116 -2.217 7.475 1.00 0.00 C ATOM 0 H ILE B 63 -24.752 -1.670 10.908 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.078 -0.961 9.631 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.108 -3.673 10.617 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.653 -2.464 9.009 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.287 -3.968 8.371 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.668 -4.657 8.985 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.528 -3.755 10.256 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.323 -3.038 8.640 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.367 -2.197 6.684 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.011 -2.723 7.114 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.367 -1.196 7.762 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.599 -2.146 12.666 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.590 -2.267 13.729 1.00 0.00 C ATOM 1049 C LEU B 64 -29.114 -0.896 14.144 1.00 0.00 C ATOM 1050 O LEU B 64 -30.300 -0.735 14.433 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.984 -2.982 14.938 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.032 -4.510 14.909 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.166 -5.093 16.014 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.467 -5.001 15.038 1.00 0.00 C ATOM 0 H LEU B 64 -26.653 -2.412 12.939 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.426 -2.854 13.348 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.943 -2.673 15.033 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.501 -2.639 15.834 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.638 -4.848 13.951 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.213 -6.181 15.977 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.134 -4.770 15.877 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.529 -4.747 16.982 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.482 -6.091 15.015 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.888 -4.652 15.981 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.060 -4.613 14.210 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.223 0.090 14.169 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.596 1.448 14.546 1.00 0.00 C ATOM 1068 C VAL B 65 -29.706 1.982 13.648 1.00 0.00 C ATOM 1069 O VAL B 65 -30.699 2.529 14.129 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.389 2.402 14.473 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.810 3.823 14.815 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.280 1.929 15.401 1.00 0.00 C ATOM 0 H VAL B 65 -27.238 -0.026 13.933 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.954 1.404 15.575 1.00 0.00 H new ATOM 0 HB VAL B 65 -27.006 2.397 13.453 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.944 4.483 14.758 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.568 4.158 14.107 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.220 3.848 15.825 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.435 2.614 15.337 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.650 1.903 16.426 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.960 0.930 15.106 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.532 1.819 12.340 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.521 2.283 11.375 1.00 0.00 C ATOM 1084 C ILE B 66 -31.844 1.544 11.545 1.00 0.00 C ATOM 1085 O ILE B 66 -32.890 2.161 11.748 1.00 0.00 O ATOM 1086 CB ILE B 66 -30.025 2.098 9.929 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.676 2.794 9.736 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -31.051 2.637 8.944 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.562 1.854 9.332 1.00 0.00 C ATOM 0 H ILE B 66 -28.716 1.369 11.925 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.674 3.345 11.565 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.893 1.033 9.740 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.781 3.567 8.975 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.399 3.295 10.664 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.686 2.499 7.926 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.991 2.100 9.068 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.212 3.699 9.131 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.636 2.417 9.213 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.429 1.095 10.103 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.817 1.372 8.388 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.791 0.219 11.462 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.985 -0.605 11.609 1.00 0.00 C ATOM 1103 C VAL B 67 -33.714 -0.288 12.910 1.00 0.00 C ATOM 1104 O VAL B 67 -34.908 0.008 12.909 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.639 -2.105 11.580 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.906 -2.947 11.605 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.795 -2.433 10.357 1.00 0.00 C ATOM 0 H VAL B 67 -30.934 -0.307 11.294 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.635 -0.374 10.765 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.057 -2.343 12.470 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.641 -4.004 11.584 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.468 -2.732 12.514 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.518 -2.709 10.735 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.559 -3.497 10.352 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.350 -2.180 9.454 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.870 -1.857 10.388 1.00 0.00 H new