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 87:sc= 1.19 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 -11.947 -10.132 2.270 1.00 0.00 N ATOM 142 CA PRO A 51 -12.538 -10.450 3.573 1.00 0.00 C ATOM 143 C PRO A 51 -13.179 -9.234 4.232 1.00 0.00 C ATOM 144 O PRO A 51 -14.253 -9.332 4.828 1.00 0.00 O ATOM 145 CB PRO A 51 -11.342 -10.936 4.396 1.00 0.00 C ATOM 146 CG PRO A 51 -10.159 -10.285 3.766 1.00 0.00 C ATOM 147 CD PRO A 51 -10.475 -10.183 2.299 1.00 0.00 C ATOM 0 HA PRO A 51 -13.341 -11.183 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.440 -10.651 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.258 -12.022 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.981 -9.300 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.256 -10.873 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.033 -9.292 1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.092 -11.040 1.745 1.00 0.00 H new ATOM 155 N LEU A 52 -12.516 -8.088 4.121 1.00 0.00 N ATOM 156 CA LEU A 52 -13.022 -6.851 4.706 1.00 0.00 C ATOM 157 C LEU A 52 -14.455 -6.583 4.257 1.00 0.00 C ATOM 158 O LEU A 52 -15.387 -6.639 5.059 1.00 0.00 O ATOM 159 CB LEU A 52 -12.124 -5.675 4.316 1.00 0.00 C ATOM 160 CG LEU A 52 -12.587 -4.295 4.783 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.628 -4.230 6.302 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.676 -3.211 4.225 1.00 0.00 C ATOM 0 H LEU A 52 -11.627 -7.990 3.631 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.015 -6.961 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.127 -5.857 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.033 -5.658 3.230 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.596 -4.125 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.960 -3.240 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.321 -4.981 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.632 -4.422 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.020 -2.235 4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.656 -3.379 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.698 -3.242 3.136 1.00 0.00 H new ATOM 174 N ILE A 53 -14.622 -6.294 2.971 1.00 0.00 N ATOM 175 CA ILE A 53 -15.941 -6.021 2.415 1.00 0.00 C ATOM 176 C ILE A 53 -16.899 -7.178 2.678 1.00 0.00 C ATOM 177 O ILE A 53 -18.040 -6.971 3.090 1.00 0.00 O ATOM 178 CB ILE A 53 -15.871 -5.762 0.898 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.848 -4.666 0.593 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.242 -5.380 0.362 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.730 -4.343 -0.880 1.00 0.00 C ATOM 0 H ILE A 53 -13.860 -6.243 2.295 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.313 -5.125 2.911 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.552 -6.678 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.125 -3.761 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.873 -4.976 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.176 -5.200 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.946 -6.191 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.588 -4.475 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.987 -3.558 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.423 -5.236 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.695 -4.002 -1.256 1.00 0.00 H new ATOM 193 N ALA A 54 -16.426 -8.397 2.438 1.00 0.00 N ATOM 194 CA ALA A 54 -17.239 -9.587 2.653 1.00 0.00 C ATOM 195 C ALA A 54 -17.843 -9.595 4.053 1.00 0.00 C ATOM 196 O ALA A 54 -19.063 -9.585 4.213 1.00 0.00 O ATOM 197 CB ALA A 54 -16.407 -10.842 2.428 1.00 0.00 C ATOM 0 H ALA A 54 -15.484 -8.586 2.095 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.057 -9.572 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.027 -11.724 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.029 -10.849 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.569 -10.853 3.125 1.00 0.00 H new ATOM 203 N ALA A 55 -16.981 -9.613 5.064 1.00 0.00 N ATOM 204 CA ALA A 55 -17.430 -9.620 6.451 1.00 0.00 C ATOM 205 C ALA A 55 -18.431 -8.499 6.710 1.00 0.00 C ATOM 206 O ALA A 55 -19.359 -8.653 7.502 1.00 0.00 O ATOM 207 CB ALA A 55 -16.241 -9.496 7.392 1.00 0.00 C ATOM 0 H ALA A 55 -15.968 -9.623 4.949 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.931 -10.570 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.592 -9.503 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.563 -10.334 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.716 -8.562 7.193 1.00 0.00 H new ATOM 213 N GLY A 56 -18.235 -7.370 6.036 1.00 0.00 N ATOM 214 CA GLY A 56 -19.128 -6.239 6.208 1.00 0.00 C ATOM 215 C GLY A 56 -20.565 -6.576 5.861 1.00 0.00 C ATOM 216 O GLY A 56 -21.462 -6.434 6.692 1.00 0.00 O ATOM 0 H GLY A 56 -17.474 -7.218 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.078 -5.895 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.790 -5.414 5.580 1.00 0.00 H new ATOM 220 N VAL A 57 -20.785 -7.024 4.629 1.00 0.00 N ATOM 221 CA VAL A 57 -22.122 -7.382 4.173 1.00 0.00 C ATOM 222 C VAL A 57 -22.672 -8.566 4.960 1.00 0.00 C ATOM 223 O VAL A 57 -23.863 -8.618 5.271 1.00 0.00 O ATOM 224 CB VAL A 57 -22.130 -7.730 2.672 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.555 -7.911 2.173 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.409 -6.654 1.873 1.00 0.00 C ATOM 0 H VAL A 57 -20.054 -7.148 3.929 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.756 -6.511 4.340 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.600 -8.672 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.540 -8.156 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.034 -8.719 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.114 -6.987 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.424 -6.915 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.910 -5.697 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.376 -6.578 2.214 1.00 0.00 H new ATOM 236 N ILE A 58 -21.798 -9.514 5.280 1.00 0.00 N ATOM 237 CA ILE A 58 -22.196 -10.697 6.033 1.00 0.00 C ATOM 238 C ILE A 58 -22.670 -10.323 7.434 1.00 0.00 C ATOM 239 O ILE A 58 -23.728 -10.763 7.881 1.00 0.00 O ATOM 240 CB ILE A 58 -21.040 -11.707 6.147 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.668 -12.248 4.765 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.421 -12.846 7.081 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.463 -13.163 4.778 1.00 0.00 C ATOM 0 H ILE A 58 -20.810 -9.486 5.030 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.018 -11.158 5.485 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.172 -11.196 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.520 -12.789 4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.470 -11.410 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.593 -13.552 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.642 -12.446 8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.301 -13.357 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.258 -13.508 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.598 -12.620 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.664 -14.021 5.420 1.00 0.00 H new ATOM 255 N GLY A 59 -21.878 -9.506 8.122 1.00 0.00 N ATOM 256 CA GLY A 59 -22.234 -9.085 9.465 1.00 0.00 C ATOM 257 C GLY A 59 -23.592 -8.414 9.521 1.00 0.00 C ATOM 258 O GLY A 59 -24.453 -8.804 10.307 1.00 0.00 O ATOM 0 H GLY A 59 -20.997 -9.128 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.233 -9.951 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.476 -8.397 9.840 1.00 0.00 H new ATOM 262 N GLY A 60 -23.783 -7.398 8.684 1.00 0.00 N ATOM 263 CA GLY A 60 -25.047 -6.685 8.660 1.00 0.00 C ATOM 264 C GLY A 60 -26.227 -7.605 8.415 1.00 0.00 C ATOM 265 O GLY A 60 -27.273 -7.469 9.050 1.00 0.00 O ATOM 0 H GLY A 60 -23.085 -7.056 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.186 -6.166 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.016 -5.923 7.881 1.00 0.00 H new ATOM 269 N LEU A 61 -26.060 -8.544 7.490 1.00 0.00 N ATOM 270 CA LEU A 61 -27.121 -9.491 7.160 1.00 0.00 C ATOM 271 C LEU A 61 -27.366 -10.457 8.315 1.00 0.00 C ATOM 272 O LEU A 61 -28.475 -10.539 8.844 1.00 0.00 O ATOM 273 CB LEU A 61 -26.760 -10.271 5.895 1.00 0.00 C ATOM 274 CG LEU A 61 -26.897 -9.511 4.576 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.194 -10.259 3.453 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.364 -9.292 4.236 1.00 0.00 C ATOM 0 H LEU A 61 -25.201 -8.670 6.955 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.036 -8.927 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.730 -10.617 5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.391 -11.159 5.847 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.422 -8.537 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.302 -9.703 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.136 -10.364 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.640 -11.247 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.442 -8.749 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.864 -10.256 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.839 -8.713 5.028 1.00 0.00 H new ATOM 288 N PHE A 62 -26.324 -11.184 8.703 1.00 0.00 N ATOM 289 CA PHE A 62 -26.426 -12.144 9.796 1.00 0.00 C ATOM 290 C PHE A 62 -27.037 -11.495 11.034 1.00 0.00 C ATOM 291 O PHE A 62 -28.028 -11.982 11.579 1.00 0.00 O ATOM 292 CB PHE A 62 -25.047 -12.714 10.132 1.00 0.00 C ATOM 293 CG PHE A 62 -25.074 -13.744 11.226 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.034 -14.743 11.230 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.141 -13.712 12.249 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.062 -15.693 12.235 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.164 -14.658 13.256 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.126 -15.649 13.250 1.00 0.00 C ATOM 0 H PHE A 62 -25.399 -11.127 8.277 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.078 -12.956 9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.619 -13.160 9.234 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.388 -11.898 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.769 -14.780 10.439 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.387 -12.939 12.260 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.814 -16.468 12.226 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.430 -14.622 14.047 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.146 -16.388 14.037 1.00 0.00 H new ATOM 308 N ILE A 63 -26.437 -10.394 11.474 1.00 0.00 N ATOM 309 CA ILE A 63 -26.922 -9.677 12.647 1.00 0.00 C ATOM 310 C ILE A 63 -28.406 -9.354 12.520 1.00 0.00 C ATOM 311 O ILE A 63 -29.177 -9.541 13.463 1.00 0.00 O ATOM 312 CB ILE A 63 -26.140 -8.369 12.871 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.690 -8.674 13.251 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.811 -7.529 13.947 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.547 -9.338 14.603 1.00 0.00 C ATOM 0 H ILE A 63 -25.614 -9.979 11.036 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.768 -10.334 13.503 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.139 -7.800 11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.251 -9.319 12.490 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.119 -7.745 13.249 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.247 -6.608 14.094 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.828 -7.286 13.638 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.840 -8.090 14.881 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.493 -9.525 14.807 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.956 -8.685 15.374 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.090 -10.283 14.603 1.00 0.00 H new ATOM 327 N LEU A 64 -28.802 -8.870 11.348 1.00 0.00 N ATOM 328 CA LEU A 64 -30.196 -8.522 11.095 1.00 0.00 C ATOM 329 C LEU A 64 -31.084 -9.761 11.142 1.00 0.00 C ATOM 330 O LEU A 64 -32.215 -9.710 11.624 1.00 0.00 O ATOM 331 CB LEU A 64 -30.332 -7.834 9.736 1.00 0.00 C ATOM 332 CG LEU A 64 -29.871 -6.377 9.672 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.724 -5.927 8.227 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.845 -5.476 10.417 1.00 0.00 C ATOM 0 H LEU A 64 -28.177 -8.710 10.558 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.521 -7.835 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.764 -8.406 9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.378 -7.877 9.433 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.897 -6.303 10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.395 -4.888 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.987 -6.553 7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.684 -6.017 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.501 -4.443 10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.833 -5.555 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.900 -5.784 11.461 1.00 0.00 H new ATOM 346 N VAL A 65 -30.562 -10.876 10.639 1.00 0.00 N ATOM 347 CA VAL A 65 -31.305 -12.130 10.626 1.00 0.00 C ATOM 348 C VAL A 65 -31.739 -12.526 12.032 1.00 0.00 C ATOM 349 O VAL A 65 -32.901 -12.864 12.262 1.00 0.00 O ATOM 350 CB VAL A 65 -30.469 -13.272 10.017 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.236 -14.584 10.074 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.072 -12.938 8.587 1.00 0.00 C ATOM 0 H VAL A 65 -29.627 -10.936 10.235 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.189 -11.968 10.009 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.558 -13.386 10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.630 -15.379 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.464 -14.827 11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.165 -14.487 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.482 -13.756 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.969 -12.796 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.480 -12.023 8.578 1.00 0.00 H new ATOM 362 N ILE A 66 -30.799 -12.483 12.970 1.00 0.00 N ATOM 363 CA ILE A 66 -31.085 -12.836 14.355 1.00 0.00 C ATOM 364 C ILE A 66 -32.108 -11.883 14.965 1.00 0.00 C ATOM 365 O ILE A 66 -33.157 -12.309 15.448 1.00 0.00 O ATOM 366 CB ILE A 66 -29.808 -12.819 15.215 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.747 -13.740 14.610 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.126 -13.235 16.644 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.472 -13.022 14.227 1.00 0.00 C ATOM 0 H ILE A 66 -29.833 -12.207 12.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.494 -13.846 14.345 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.413 -11.803 15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.510 -14.527 15.325 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.160 -14.226 13.726 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.213 -13.218 17.240 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.851 -12.543 17.072 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.542 -14.243 16.646 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.765 -13.736 13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.696 -12.253 13.488 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.035 -12.559 15.112 1.00 0.00 H new ATOM 381 N VAL A 67 -31.797 -10.591 14.937 1.00 0.00 N ATOM 382 CA VAL A 67 -32.690 -9.578 15.484 1.00 0.00 C ATOM 383 C VAL A 67 -34.087 -9.695 14.885 1.00 0.00 C ATOM 384 O VAL A 67 -35.077 -9.798 15.608 1.00 0.00 O ATOM 385 CB VAL A 67 -32.151 -8.158 15.228 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.015 -7.123 15.934 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.702 -8.049 15.676 1.00 0.00 C ATOM 0 H VAL A 67 -30.933 -10.222 14.541 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.743 -9.750 16.559 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.192 -7.961 14.157 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.619 -6.126 15.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.037 -7.186 15.560 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.009 -7.315 17.007 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.338 -7.039 15.488 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.633 -8.266 16.742 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.095 -8.763 15.120 1.00 0.00 H new ATOM 397 N GLY A 68 -34.159 -9.679 13.557 1.00 0.00 N ATOM 398 CA GLY A 68 -35.440 -9.785 12.883 1.00 0.00 C ATOM 399 C GLY A 68 -36.249 -10.975 13.358 1.00 0.00 C ATOM 400 O GLY A 68 -37.379 -10.821 13.823 1.00 0.00 O ATOM 0 H GLY A 68 -33.354 -9.595 12.937 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -36.011 -8.872 13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.276 -9.867 11.809 1.00 0.00 H new ATOM 404 N LEU A 69 -35.672 -12.166 13.241 1.00 0.00 N ATOM 405 CA LEU A 69 -36.347 -13.389 13.661 1.00 0.00 C ATOM 406 C LEU A 69 -36.738 -13.317 15.134 1.00 0.00 C ATOM 407 O LEU A 69 -37.845 -13.699 15.514 1.00 0.00 O ATOM 408 CB LEU A 69 -35.447 -14.601 13.419 1.00 0.00 C ATOM 409 CG LEU A 69 -35.309 -15.056 11.966 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.389 -16.262 11.868 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.675 -15.375 11.375 1.00 0.00 C ATOM 0 H LEU A 69 -34.738 -12.311 12.858 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.255 -13.495 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.453 -14.372 13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.831 -15.436 14.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.868 -14.242 11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.304 -16.571 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.403 -15.999 12.251 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.800 -17.082 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.558 -15.697 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.144 -16.172 11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.303 -14.485 11.409 1.00 0.00 H new ATOM 423 N THR A 70 -35.821 -12.822 15.960 1.00 0.00 N ATOM 424 CA THR A 70 -36.069 -12.699 17.391 1.00 0.00 C ATOM 425 C THR A 70 -37.378 -11.965 17.661 1.00 0.00 C ATOM 426 O THR A 70 -38.125 -12.322 18.572 1.00 0.00 O ATOM 427 CB THR A 70 -34.921 -11.954 18.098 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.721 -12.733 18.038 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.275 -11.668 19.550 1.00 0.00 C ATOM 0 H THR A 70 -34.900 -12.500 15.662 1.00 0.00 H new ATOM 0 HA THR A 70 -36.135 -13.712 17.789 1.00 0.00 H new ATOM 0 HB THR A 70 -34.763 -11.005 17.586 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.245 -12.537 17.204 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.449 -11.141 20.029 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.172 -11.050 19.591 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.457 -12.607 20.072 1.00 0.00 H new ATOM 437 N PHE A 71 -37.650 -10.937 16.863 1.00 0.00 N ATOM 438 CA PHE A 71 -38.870 -10.153 17.016 1.00 0.00 C ATOM 439 C PHE A 71 -40.094 -10.964 16.604 1.00 0.00 C ATOM 440 O PHE A 71 -41.066 -11.065 17.352 1.00 0.00 O ATOM 441 CB PHE A 71 -38.786 -8.873 16.181 1.00 0.00 C ATOM 442 CG PHE A 71 -40.042 -8.050 16.218 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.583 -7.641 17.427 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.682 -7.685 15.045 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.739 -6.885 17.464 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.838 -6.928 15.076 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.366 -6.527 16.287 1.00 0.00 C ATOM 0 H PHE A 71 -37.042 -10.628 16.104 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.972 -9.887 18.068 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.954 -8.268 16.541 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.564 -9.137 15.147 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -40.095 -7.916 18.350 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.273 -7.996 14.095 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.152 -6.574 18.412 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.328 -6.651 14.154 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.268 -5.934 16.314 1.00 0.00 H new ATOM 457 N ALA A 72 -40.039 -11.541 15.407 1.00 0.00 N ATOM 458 CA ALA A 72 -41.141 -12.344 14.895 1.00 0.00 C ATOM 459 C ALA A 72 -41.412 -13.544 15.797 1.00 0.00 C ATOM 460 O ALA A 72 -42.542 -14.025 15.885 1.00 0.00 O ATOM 461 CB ALA A 72 -40.844 -12.805 13.476 1.00 0.00 C ATOM 0 H ALA A 72 -39.242 -11.466 14.775 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.036 -11.722 14.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.676 -13.404 13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.708 -11.936 12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.934 -13.406 13.471 1.00 0.00 H new ATOM 467 N VAL A 73 -40.367 -14.024 16.465 1.00 0.00 N ATOM 468 CA VAL A 73 -40.492 -15.167 17.360 1.00 0.00 C ATOM 469 C VAL A 73 -41.031 -14.743 18.722 1.00 0.00 C ATOM 470 O VAL A 73 -41.902 -15.402 19.290 1.00 0.00 O ATOM 471 CB VAL A 73 -39.140 -15.879 17.554 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.273 -17.013 18.559 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.614 -16.394 16.223 1.00 0.00 C ATOM 0 H VAL A 73 -39.425 -13.638 16.403 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.194 -15.858 16.894 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.423 -15.159 17.948 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.308 -17.504 18.683 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.602 -16.613 19.518 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.004 -17.736 18.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.658 -16.894 16.379 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.328 -17.100 15.798 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.478 -15.558 15.537 1.00 0.00 H new ATOM 483 N TYR A 74 -40.507 -13.638 19.240 1.00 0.00 N ATOM 484 CA TYR A 74 -40.933 -13.125 20.537 1.00 0.00 C ATOM 485 C TYR A 74 -42.439 -12.877 20.556 1.00 0.00 C ATOM 486 O TYR A 74 -43.121 -13.204 21.527 1.00 0.00 O ATOM 487 CB TYR A 74 -40.188 -11.831 20.868 1.00 0.00 C ATOM 488 CG TYR A 74 -40.329 -11.403 22.311 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.543 -10.939 22.803 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.248 -11.462 23.183 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.676 -10.546 24.121 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.373 -11.073 24.502 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.589 -10.615 24.966 1.00 0.00 C ATOM 494 OH TYR A 74 -40.717 -10.225 26.280 1.00 0.00 O ATOM 0 H TYR A 74 -39.786 -13.080 18.782 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.696 -13.875 21.291 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.131 -11.962 20.638 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.558 -11.034 20.224 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.397 -10.885 22.144 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.294 -11.818 22.823 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.626 -10.187 24.487 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.524 -11.127 25.167 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.859 -10.337 26.740 1.00 0.00 H new ATOM 504 N VAL A 75 -42.950 -12.296 19.475 1.00 0.00 N ATOM 505 CA VAL A 75 -44.374 -12.004 19.365 1.00 0.00 C ATOM 506 C VAL A 75 -45.196 -13.288 19.319 1.00 0.00 C ATOM 507 O VAL A 75 -46.210 -13.413 20.006 1.00 0.00 O ATOM 508 CB VAL A 75 -44.680 -11.166 18.110 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.181 -10.980 17.945 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.973 -9.822 18.182 1.00 0.00 C ATOM 0 H VAL A 75 -42.399 -12.018 18.663 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.649 -11.431 20.251 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.306 -11.701 17.237 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.378 -10.385 17.053 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.660 -11.954 17.845 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.582 -10.467 18.819 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.200 -9.243 17.287 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.314 -9.278 19.063 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.897 -9.980 18.248 1.00 0.00 H new ATOM 520 N ARG A 76 -44.751 -14.240 18.505 1.00 0.00 N ATOM 521 CA ARG A 76 -45.445 -15.514 18.369 1.00 0.00 C ATOM 522 C ARG A 76 -45.693 -16.148 19.735 1.00 0.00 C ATOM 523 O ARG A 76 -46.758 -16.712 19.984 1.00 0.00 O ATOM 524 CB ARG A 76 -44.635 -16.470 17.491 1.00 0.00 C ATOM 525 CG ARG A 76 -44.593 -16.064 16.027 1.00 0.00 C ATOM 526 CD ARG A 76 -45.405 -17.017 15.162 1.00 0.00 C ATOM 527 NE ARG A 76 -46.839 -16.893 15.409 1.00 0.00 N ATOM 528 CZ ARG A 76 -47.737 -17.769 14.974 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.352 -18.827 14.273 1.00 0.00 N ATOM 530 NH2 ARG A 76 -49.025 -17.588 15.239 1.00 0.00 N ATOM 0 H ARG A 76 -43.913 -14.153 17.930 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.408 -15.324 17.895 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.616 -16.526 17.873 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.060 -17.471 17.570 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -44.981 -15.051 15.918 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.559 -16.048 15.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.200 -16.816 14.110 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -45.091 -18.042 15.358 1.00 0.00 H new ATOM 0 HE ARG A 76 -47.169 -16.090 15.945 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -46.363 -18.970 14.067 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -48.045 -19.498 13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -49.326 -16.775 15.777 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -49.714 -18.261 14.904 1.00 0.00 H new ATOM 544 N ARG A 77 -44.702 -16.050 20.615 1.00 0.00 N ATOM 545 CA ARG A 77 -44.811 -16.614 21.955 1.00 0.00 C ATOM 546 C ARG A 77 -46.083 -16.131 22.646 1.00 0.00 C ATOM 547 O ARG A 77 -46.604 -16.793 23.544 1.00 0.00 O ATOM 548 CB ARG A 77 -43.588 -16.237 22.792 1.00 0.00 C ATOM 549 CG ARG A 77 -42.336 -17.019 22.429 1.00 0.00 C ATOM 550 CD ARG A 77 -41.075 -16.240 22.766 1.00 0.00 C ATOM 551 NE ARG A 77 -40.383 -16.793 23.927 1.00 0.00 N ATOM 552 CZ ARG A 77 -39.652 -17.902 23.888 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.518 -18.571 22.751 1.00 0.00 N ATOM 554 NH2 ARG A 77 -39.053 -18.342 24.987 1.00 0.00 N ATOM 0 H ARG A 77 -43.814 -15.585 20.424 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.858 -17.699 21.862 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.389 -15.172 22.670 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.815 -16.400 23.846 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.332 -17.969 22.963 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.347 -17.252 21.364 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.404 -16.247 21.907 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.333 -15.199 22.960 1.00 0.00 H new ATOM 0 HE ARG A 77 -40.465 -16.301 24.817 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.976 -18.235 21.904 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.956 -19.422 22.723 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -39.153 -17.829 25.863 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -38.492 -19.193 24.956 1.00 0.00 H new ATOM 568 N LYS A 78 -46.577 -14.973 22.222 1.00 0.00 N ATOM 569 CA LYS A 78 -47.788 -14.400 22.799 1.00 0.00 C ATOM 570 C LYS A 78 -49.033 -14.966 22.123 1.00 0.00 C ATOM 571 O LYS A 78 -49.963 -15.416 22.791 1.00 0.00 O ATOM 572 CB LYS A 78 -47.769 -12.876 22.665 1.00 0.00 C ATOM 573 CG LYS A 78 -47.597 -12.151 23.988 1.00 0.00 C ATOM 574 CD LYS A 78 -46.903 -10.812 23.804 1.00 0.00 C ATOM 575 CE LYS A 78 -47.649 -9.695 24.519 1.00 0.00 C ATOM 576 NZ LYS A 78 -48.644 -9.035 23.630 1.00 0.00 N ATOM 0 H LYS A 78 -46.157 -14.412 21.480 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.818 -14.665 23.856 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.959 -12.589 21.995 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.699 -12.549 22.199 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.573 -11.996 24.448 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.017 -12.772 24.671 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -45.884 -10.873 24.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -46.831 -10.581 22.741 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -48.157 -10.100 25.395 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -46.935 -8.954 24.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -49.131 -8.280 24.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -48.157 -8.626 22.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -49.340 -9.737 23.307 1.00 0.00 H new ATOM 875 N LEU B 52 -10.901 -7.306 8.759 1.00 0.00 N ATOM 876 CA LEU B 52 -11.939 -8.325 8.662 1.00 0.00 C ATOM 877 C LEU B 52 -12.863 -8.279 9.876 1.00 0.00 C ATOM 878 O LEU B 52 -14.042 -7.946 9.758 1.00 0.00 O ATOM 879 CB LEU B 52 -11.309 -9.714 8.540 1.00 0.00 C ATOM 880 CG LEU B 52 -12.280 -10.894 8.537 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.209 -10.819 7.334 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.519 -12.212 8.543 1.00 0.00 C ATOM 0 HA LEU B 52 -12.531 -8.121 7.769 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.726 -9.747 7.620 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.609 -9.847 9.365 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.885 -10.843 9.442 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.893 -11.668 7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.780 -9.892 7.373 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.620 -10.844 6.417 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.227 -13.041 8.541 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.888 -12.272 7.656 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.897 -12.269 9.436 1.00 0.00 H new ATOM 894 N ILE B 53 -12.317 -8.612 11.040 1.00 0.00 N ATOM 895 CA ILE B 53 -13.091 -8.605 12.276 1.00 0.00 C ATOM 896 C ILE B 53 -13.700 -7.231 12.535 1.00 0.00 C ATOM 897 O ILE B 53 -14.872 -7.117 12.891 1.00 0.00 O ATOM 898 CB ILE B 53 -12.226 -9.007 13.484 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.530 -10.344 13.219 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.078 -9.089 14.742 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.665 -10.814 14.368 1.00 0.00 C ATOM 0 H ILE B 53 -11.342 -8.890 11.154 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.890 -9.336 12.153 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.462 -8.244 13.634 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.285 -11.102 13.010 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.914 -10.252 12.325 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.452 -9.374 15.587 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.532 -8.118 14.938 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.861 -9.834 14.603 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.203 -11.767 14.110 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.888 -10.076 14.564 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.280 -10.938 15.259 1.00 0.00 H new ATOM 913 N ALA B 54 -12.895 -6.189 12.353 1.00 0.00 N ATOM 914 CA ALA B 54 -13.354 -4.822 12.563 1.00 0.00 C ATOM 915 C ALA B 54 -14.630 -4.545 11.775 1.00 0.00 C ATOM 916 O ALA B 54 -15.670 -4.226 12.352 1.00 0.00 O ATOM 917 CB ALA B 54 -12.266 -3.833 12.174 1.00 0.00 C ATOM 0 H ALA B 54 -11.921 -6.266 12.060 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.578 -4.699 13.623 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.624 -2.816 12.336 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.380 -4.008 12.784 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.013 -3.965 11.122 1.00 0.00 H new ATOM 923 N ALA B 55 -14.543 -4.668 10.455 1.00 0.00 N ATOM 924 CA ALA B 55 -15.691 -4.432 9.588 1.00 0.00 C ATOM 925 C ALA B 55 -16.906 -5.225 10.058 1.00 0.00 C ATOM 926 O ALA B 55 -18.038 -4.750 9.981 1.00 0.00 O ATOM 927 CB ALA B 55 -15.349 -4.789 8.150 1.00 0.00 C ATOM 0 H ALA B 55 -13.689 -4.930 9.962 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.940 -3.372 9.637 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.216 -4.608 7.514 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.515 -4.174 7.811 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.071 -5.841 8.093 1.00 0.00 H new ATOM 933 N GLY B 56 -16.663 -6.439 10.544 1.00 0.00 N ATOM 934 CA GLY B 56 -17.747 -7.279 11.018 1.00 0.00 C ATOM 935 C GLY B 56 -18.557 -6.617 12.114 1.00 0.00 C ATOM 936 O GLY B 56 -19.770 -6.449 11.984 1.00 0.00 O ATOM 0 H GLY B 56 -15.735 -6.855 10.618 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.404 -7.525 10.183 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.338 -8.219 11.390 1.00 0.00 H new ATOM 940 N VAL B 57 -17.887 -6.239 13.198 1.00 0.00 N ATOM 941 CA VAL B 57 -18.553 -5.592 14.322 1.00 0.00 C ATOM 942 C VAL B 57 -19.146 -4.249 13.909 1.00 0.00 C ATOM 943 O VAL B 57 -20.234 -3.878 14.352 1.00 0.00 O ATOM 944 CB VAL B 57 -17.583 -5.372 15.498 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.334 -4.872 16.723 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.828 -6.655 15.812 1.00 0.00 C ATOM 0 H VAL B 57 -16.883 -6.370 13.321 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.355 -6.258 14.642 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.857 -4.611 15.211 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.633 -4.722 17.544 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.825 -3.928 16.488 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.083 -5.608 17.016 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.147 -6.482 16.645 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.537 -7.438 16.080 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.258 -6.965 14.936 1.00 0.00 H new ATOM 956 N ILE B 58 -18.426 -3.526 13.059 1.00 0.00 N ATOM 957 CA ILE B 58 -18.882 -2.225 12.586 1.00 0.00 C ATOM 958 C ILE B 58 -20.173 -2.354 11.785 1.00 0.00 C ATOM 959 O ILE B 58 -21.125 -1.603 11.996 1.00 0.00 O ATOM 960 CB ILE B 58 -17.816 -1.538 11.713 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.578 -1.206 12.548 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.384 -0.279 11.075 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.434 -0.641 11.736 1.00 0.00 C ATOM 0 H ILE B 58 -17.524 -3.819 12.683 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.065 -1.614 13.470 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.522 -2.224 10.918 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.853 -0.488 13.321 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.240 -2.109 13.057 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.618 0.195 10.461 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.238 -0.541 10.451 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.703 0.412 11.855 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.591 -0.429 12.394 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.132 -1.366 10.980 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.754 0.280 11.248 1.00 0.00 H new ATOM 975 N GLY B 59 -20.199 -3.313 10.864 1.00 0.00 N ATOM 976 CA GLY B 59 -21.379 -3.524 10.046 1.00 0.00 C ATOM 977 C GLY B 59 -22.614 -3.816 10.875 1.00 0.00 C ATOM 978 O GLY B 59 -23.649 -3.173 10.706 1.00 0.00 O ATOM 0 H GLY B 59 -19.424 -3.947 10.670 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.556 -2.639 9.434 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.200 -4.354 9.362 1.00 0.00 H new ATOM 982 N GLY B 60 -22.507 -4.791 11.772 1.00 0.00 N ATOM 983 CA GLY B 60 -23.632 -5.151 12.615 1.00 0.00 C ATOM 984 C GLY B 60 -24.160 -3.974 13.410 1.00 0.00 C ATOM 985 O GLY B 60 -25.372 -3.801 13.547 1.00 0.00 O ATOM 0 H GLY B 60 -21.661 -5.338 11.930 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.432 -5.555 11.995 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.330 -5.942 13.301 1.00 0.00 H new ATOM 989 N LEU B 61 -23.250 -3.163 13.938 1.00 0.00 N ATOM 990 CA LEU B 61 -23.631 -1.995 14.726 1.00 0.00 C ATOM 991 C LEU B 61 -24.273 -0.929 13.845 1.00 0.00 C ATOM 992 O LEU B 61 -25.426 -0.550 14.052 1.00 0.00 O ATOM 993 CB LEU B 61 -22.408 -1.416 15.439 1.00 0.00 C ATOM 994 CG LEU B 61 -21.963 -2.143 16.708 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.566 -1.700 17.115 1.00 0.00 C ATOM 996 CD2 LEU B 61 -22.953 -1.896 17.838 1.00 0.00 C ATOM 0 H LEU B 61 -22.243 -3.292 13.835 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.362 -2.312 15.470 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.574 -1.408 14.738 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.619 -0.378 15.695 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.937 -3.213 16.501 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.266 -2.228 18.020 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.864 -1.927 16.313 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.565 -0.627 17.304 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.621 -2.421 18.734 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.011 -0.827 18.044 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.937 -2.263 17.546 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.521 -0.451 12.860 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.017 0.571 11.945 1.00 0.00 C ATOM 1010 C PHE B 62 -25.364 0.165 11.356 1.00 0.00 C ATOM 1011 O PHE B 62 -26.347 0.900 11.463 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.008 0.813 10.821 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.425 1.891 9.862 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.935 3.092 10.329 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.307 1.704 8.494 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.320 4.086 9.450 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.690 2.695 7.611 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.198 3.887 8.089 1.00 0.00 C ATOM 0 H PHE B 62 -22.565 -0.755 12.674 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.150 1.494 12.509 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.046 1.080 11.259 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.861 -0.116 10.270 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.033 3.253 11.392 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.911 0.774 8.114 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.716 5.017 9.827 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.592 2.538 6.547 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.499 4.662 7.400 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.402 -1.008 10.733 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.628 -1.511 10.127 1.00 0.00 C ATOM 1030 C ILE B 63 -27.777 -1.512 11.130 1.00 0.00 C ATOM 1031 O ILE B 63 -28.901 -1.127 10.803 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.440 -2.938 9.578 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.449 -2.933 8.412 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.777 -3.518 9.141 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.955 -2.196 7.192 1.00 0.00 C ATOM 0 H ILE B 63 -24.598 -1.628 10.635 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.870 -0.841 9.302 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.035 -3.566 10.372 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.516 -2.476 8.741 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.220 -3.962 8.136 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.628 -4.527 8.755 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.455 -3.552 9.994 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.208 -2.891 8.360 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.201 -2.233 6.406 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.872 -2.666 6.838 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.157 -1.157 7.452 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.488 -1.945 12.352 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.496 -1.994 13.404 1.00 0.00 C ATOM 1049 C LEU B 64 -28.959 -0.590 13.782 1.00 0.00 C ATOM 1050 O LEU B 64 -30.139 -0.365 14.051 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.941 -2.709 14.637 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.024 -4.236 14.622 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.160 -4.828 15.725 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.468 -4.693 14.770 1.00 0.00 C ATOM 0 H LEU B 64 -26.564 -2.267 12.638 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.354 -2.549 13.025 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.896 -2.423 14.758 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.475 -2.345 15.515 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.648 -4.592 13.663 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.231 -5.915 15.699 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.123 -4.529 15.575 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.506 -4.465 16.693 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.508 -5.782 14.757 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.871 -4.326 15.714 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.061 -4.298 13.945 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.021 0.352 13.797 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.332 1.735 14.138 1.00 0.00 C ATOM 1068 C VAL B 65 -29.409 2.299 13.217 1.00 0.00 C ATOM 1069 O VAL B 65 -30.387 2.888 13.678 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.081 2.629 14.055 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.437 4.075 14.361 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.002 2.124 15.002 1.00 0.00 C ATOM 0 H VAL B 65 -27.040 0.182 13.577 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.700 1.733 15.164 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.690 2.584 13.039 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.540 4.692 14.298 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.173 4.429 13.639 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.853 4.142 15.366 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.125 2.767 14.931 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.380 2.138 16.024 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.727 1.105 14.730 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.221 2.114 11.915 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.177 2.603 10.929 1.00 0.00 C ATOM 1084 C ILE B 66 -31.539 1.939 11.108 1.00 0.00 C ATOM 1085 O ILE B 66 -32.553 2.615 11.283 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.682 2.354 9.493 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.303 2.985 9.289 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.679 2.907 8.485 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.229 1.986 8.920 1.00 0.00 C ATOM 0 H ILE B 66 -28.416 1.629 11.518 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.275 3.677 11.089 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.595 1.279 9.336 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.370 3.740 8.505 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.010 3.500 10.204 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.315 2.723 7.474 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.642 2.415 8.619 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.795 3.980 8.639 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.279 2.504 8.791 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.133 1.245 9.713 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.500 1.488 7.989 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.554 0.611 11.064 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.790 -0.145 11.223 1.00 0.00 C ATOM 1103 C VAL B 67 -33.511 0.244 12.509 1.00 0.00 C ATOM 1104 O VAL B 67 -34.687 0.604 12.490 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.523 -1.662 11.237 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.833 -2.435 11.255 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.673 -2.064 10.041 1.00 0.00 C ATOM 0 H VAL B 67 -30.724 0.036 10.920 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.421 0.098 10.368 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.972 -1.908 12.145 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.624 -3.505 11.265 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.401 -2.168 12.146 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.414 -2.187 10.367 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.494 -3.139 10.067 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.195 -1.805 9.120 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.720 -1.537 10.078 1.00 0.00 H new