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 76:sc= 1.27 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc=-0.00229 (180deg=-0.0795) USER MOD ----------------------------------------------------------------- ATOM 141 N PRO A 51 -12.042 -9.929 2.141 1.00 0.00 N ATOM 142 CA PRO A 51 -12.594 -10.235 3.464 1.00 0.00 C ATOM 143 C PRO A 51 -13.237 -9.018 4.120 1.00 0.00 C ATOM 144 O PRO A 51 -14.293 -9.122 4.745 1.00 0.00 O ATOM 145 CB PRO A 51 -11.369 -10.689 4.263 1.00 0.00 C ATOM 146 CG PRO A 51 -10.214 -10.030 3.591 1.00 0.00 C ATOM 147 CD PRO A 51 -10.570 -9.958 2.132 1.00 0.00 C ATOM 0 HA PRO A 51 -13.387 -10.981 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.444 -10.388 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.268 -11.774 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.041 -9.035 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.298 -10.601 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.153 -9.068 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.188 -10.818 1.582 1.00 0.00 H new ATOM 155 N LEU A 52 -12.595 -7.865 3.973 1.00 0.00 N ATOM 156 CA LEU A 52 -13.105 -6.626 4.551 1.00 0.00 C ATOM 157 C LEU A 52 -14.556 -6.393 4.146 1.00 0.00 C ATOM 158 O LEU A 52 -15.463 -6.468 4.976 1.00 0.00 O ATOM 159 CB LEU A 52 -12.243 -5.442 4.110 1.00 0.00 C ATOM 160 CG LEU A 52 -12.774 -4.054 4.472 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.811 -3.874 5.982 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.922 -2.972 3.825 1.00 0.00 C ATOM 0 H LEU A 52 -11.720 -7.762 3.459 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.061 -6.715 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.252 -5.556 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.119 -5.491 3.028 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.791 -3.964 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.191 -2.881 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.463 -4.628 6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.805 -3.984 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.314 -1.991 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.894 -3.060 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.947 -3.089 2.742 1.00 0.00 H new ATOM 174 N ILE A 53 -14.769 -6.113 2.864 1.00 0.00 N ATOM 175 CA ILE A 53 -16.111 -5.873 2.348 1.00 0.00 C ATOM 176 C ILE A 53 -17.030 -7.056 2.634 1.00 0.00 C ATOM 177 O ILE A 53 -18.169 -6.880 3.065 1.00 0.00 O ATOM 178 CB ILE A 53 -16.092 -5.607 0.831 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.126 -4.467 0.504 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.492 -5.283 0.332 1.00 0.00 C ATOM 181 CD1 ILE A 53 -15.615 -3.111 0.964 1.00 0.00 C ATOM 0 H ILE A 53 -14.030 -6.047 2.164 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.492 -4.989 2.859 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.747 -6.508 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -14.162 -4.674 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.961 -4.439 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.462 -5.098 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.155 -6.124 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.864 -4.395 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.881 -2.350 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -16.564 -2.883 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.753 -3.121 2.045 1.00 0.00 H new ATOM 193 N ALA A 54 -16.526 -8.262 2.393 1.00 0.00 N ATOM 194 CA ALA A 54 -17.299 -9.475 2.628 1.00 0.00 C ATOM 195 C ALA A 54 -17.883 -9.489 4.037 1.00 0.00 C ATOM 196 O ALA A 54 -19.100 -9.503 4.215 1.00 0.00 O ATOM 197 CB ALA A 54 -16.434 -10.705 2.400 1.00 0.00 C ATOM 0 H ALA A 54 -15.585 -8.425 2.035 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.127 -9.492 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.025 -11.603 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.070 -10.709 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.586 -10.686 3.085 1.00 0.00 H new ATOM 203 N ALA A 55 -17.005 -9.487 5.036 1.00 0.00 N ATOM 204 CA ALA A 55 -17.434 -9.498 6.429 1.00 0.00 C ATOM 205 C ALA A 55 -18.459 -8.401 6.697 1.00 0.00 C ATOM 206 O ALA A 55 -19.388 -8.584 7.482 1.00 0.00 O ATOM 207 CB ALA A 55 -16.234 -9.339 7.351 1.00 0.00 C ATOM 0 H ALA A 55 -15.993 -9.478 4.906 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.909 -10.458 6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.568 -9.349 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.537 -10.161 7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.735 -8.393 7.139 1.00 0.00 H new ATOM 213 N GLY A 56 -18.283 -7.259 6.039 1.00 0.00 N ATOM 214 CA GLY A 56 -19.200 -6.149 6.221 1.00 0.00 C ATOM 215 C GLY A 56 -20.629 -6.515 5.873 1.00 0.00 C ATOM 216 O GLY A 56 -21.530 -6.384 6.702 1.00 0.00 O ATOM 0 H GLY A 56 -17.522 -7.083 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.156 -5.812 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.881 -5.312 5.600 1.00 0.00 H new ATOM 220 N VAL A 57 -20.839 -6.973 4.643 1.00 0.00 N ATOM 221 CA VAL A 57 -22.169 -7.359 4.187 1.00 0.00 C ATOM 222 C VAL A 57 -22.698 -8.549 4.979 1.00 0.00 C ATOM 223 O VAL A 57 -23.888 -8.626 5.283 1.00 0.00 O ATOM 224 CB VAL A 57 -22.167 -7.713 2.688 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.588 -7.925 2.188 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.467 -6.627 1.885 1.00 0.00 C ATOM 0 H VAL A 57 -20.105 -7.086 3.944 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.821 -6.501 4.349 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.617 -8.644 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.567 -8.174 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.051 -8.741 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.165 -7.012 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.475 -6.894 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.987 -5.679 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.437 -6.529 2.227 1.00 0.00 H new ATOM 236 N ILE A 58 -21.805 -9.476 5.310 1.00 0.00 N ATOM 237 CA ILE A 58 -22.182 -10.662 6.068 1.00 0.00 C ATOM 238 C ILE A 58 -22.664 -10.291 7.467 1.00 0.00 C ATOM 239 O ILE A 58 -23.703 -10.765 7.923 1.00 0.00 O ATOM 240 CB ILE A 58 -21.006 -11.651 6.188 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.632 -12.201 4.811 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.362 -12.784 7.138 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.416 -13.101 4.830 1.00 0.00 C ATOM 0 H ILE A 58 -20.816 -9.428 5.065 1.00 0.00 H new ATOM 0 HA ILE A 58 -22.995 -11.140 5.521 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.144 -11.121 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.479 -12.756 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.447 -11.367 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.522 -13.474 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.585 -12.376 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.235 -13.315 6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.209 -13.454 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.557 -12.544 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.605 -13.954 5.481 1.00 0.00 H new ATOM 255 N GLY A 59 -21.901 -9.437 8.142 1.00 0.00 N ATOM 256 CA GLY A 59 -22.267 -9.015 9.482 1.00 0.00 C ATOM 257 C GLY A 59 -23.638 -8.370 9.532 1.00 0.00 C ATOM 258 O GLY A 59 -24.491 -8.771 10.322 1.00 0.00 O ATOM 0 H GLY A 59 -21.036 -9.030 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.250 -9.877 10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.523 -8.310 9.854 1.00 0.00 H new ATOM 262 N GLY A 60 -23.850 -7.367 8.686 1.00 0.00 N ATOM 263 CA GLY A 60 -25.128 -6.680 8.654 1.00 0.00 C ATOM 264 C GLY A 60 -26.287 -7.625 8.407 1.00 0.00 C ATOM 265 O GLY A 60 -27.341 -7.504 9.033 1.00 0.00 O ATOM 0 H GLY A 60 -23.159 -7.018 8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.282 -6.161 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.109 -5.920 7.873 1.00 0.00 H new ATOM 269 N LEU A 61 -26.095 -8.567 7.490 1.00 0.00 N ATOM 270 CA LEU A 61 -27.134 -9.536 7.160 1.00 0.00 C ATOM 271 C LEU A 61 -27.376 -10.493 8.323 1.00 0.00 C ATOM 272 O LEU A 61 -28.483 -10.572 8.856 1.00 0.00 O ATOM 273 CB LEU A 61 -26.745 -10.325 5.908 1.00 0.00 C ATOM 274 CG LEU A 61 -26.880 -9.582 4.578 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.214 -10.367 3.459 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.345 -9.327 4.256 1.00 0.00 C ATOM 0 H LEU A 61 -25.230 -8.680 6.962 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.057 -8.989 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.711 -10.652 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.360 -11.224 5.863 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.376 -8.619 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.320 -9.823 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.156 -10.497 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -26.688 -11.344 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.422 -8.797 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.873 -10.278 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.791 -8.723 5.046 1.00 0.00 H new ATOM 288 N PHE A 62 -26.332 -11.218 8.713 1.00 0.00 N ATOM 289 CA PHE A 62 -26.431 -12.169 9.814 1.00 0.00 C ATOM 290 C PHE A 62 -27.042 -11.512 11.047 1.00 0.00 C ATOM 291 O PHE A 62 -28.029 -12.000 11.599 1.00 0.00 O ATOM 292 CB PHE A 62 -25.049 -12.732 10.154 1.00 0.00 C ATOM 293 CG PHE A 62 -25.073 -13.754 11.254 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.036 -14.751 11.271 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.132 -13.719 12.271 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.060 -15.692 12.282 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.152 -14.659 13.285 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.116 -15.647 13.290 1.00 0.00 C ATOM 0 H PHE A 62 -25.409 -11.165 8.283 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.082 -12.985 9.499 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.619 -13.182 9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.393 -11.912 10.445 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.776 -14.793 10.485 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.375 -12.949 12.272 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.817 -16.463 12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.414 -14.620 14.072 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.132 -16.383 14.080 1.00 0.00 H new ATOM 308 N ILE A 63 -26.449 -10.402 11.474 1.00 0.00 N ATOM 309 CA ILE A 63 -26.936 -9.677 12.642 1.00 0.00 C ATOM 310 C ILE A 63 -28.423 -9.368 12.516 1.00 0.00 C ATOM 311 O ILE A 63 -29.186 -9.532 13.470 1.00 0.00 O ATOM 312 CB ILE A 63 -26.164 -8.360 12.848 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.714 -8.649 13.242 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.847 -7.507 13.907 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.574 -9.284 14.608 1.00 0.00 C ATOM 0 H ILE A 63 -25.631 -9.985 11.029 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.774 -10.322 13.505 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.161 -7.806 11.909 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.268 -9.307 12.497 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.148 -7.717 13.224 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.290 -6.580 14.042 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.864 -7.277 13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.877 -8.053 14.850 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.520 -9.461 14.821 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -24.990 -8.617 15.363 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.111 -10.232 14.625 1.00 0.00 H new ATOM 327 N LEU A 64 -28.831 -8.920 11.334 1.00 0.00 N ATOM 328 CA LEU A 64 -30.230 -8.589 11.082 1.00 0.00 C ATOM 329 C LEU A 64 -31.100 -9.841 11.117 1.00 0.00 C ATOM 330 O LEU A 64 -32.248 -9.800 11.561 1.00 0.00 O ATOM 331 CB LEU A 64 -30.373 -7.893 9.728 1.00 0.00 C ATOM 332 CG LEU A 64 -29.937 -6.428 9.677 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.815 -5.957 8.236 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.918 -5.553 10.444 1.00 0.00 C ATOM 0 H LEU A 64 -28.214 -8.777 10.535 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.566 -7.913 11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.792 -8.450 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.417 -7.951 9.420 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.958 -6.344 10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.504 -4.912 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.074 -6.564 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.779 -6.056 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.592 -4.514 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.910 -5.643 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.956 -5.875 11.485 1.00 0.00 H new ATOM 346 N VAL A 65 -30.546 -10.955 10.648 1.00 0.00 N ATOM 347 CA VAL A 65 -31.271 -12.220 10.629 1.00 0.00 C ATOM 348 C VAL A 65 -31.708 -12.624 12.033 1.00 0.00 C ATOM 349 O VAL A 65 -32.854 -13.022 12.247 1.00 0.00 O ATOM 350 CB VAL A 65 -30.414 -13.349 10.026 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.160 -14.673 10.080 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.016 -13.009 8.597 1.00 0.00 C ATOM 0 H VAL A 65 -29.598 -11.007 10.276 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.153 -12.070 10.006 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.505 -13.448 10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.539 -15.458 9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.390 -14.919 11.117 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.087 -14.592 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.411 -13.817 8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.912 -12.882 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.439 -12.084 8.590 1.00 0.00 H new ATOM 362 N ILE A 66 -30.788 -12.519 12.986 1.00 0.00 N ATOM 363 CA ILE A 66 -31.080 -12.872 14.370 1.00 0.00 C ATOM 364 C ILE A 66 -32.097 -11.913 14.980 1.00 0.00 C ATOM 365 O ILE A 66 -33.152 -12.331 15.457 1.00 0.00 O ATOM 366 CB ILE A 66 -29.804 -12.866 15.233 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.730 -13.753 14.600 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.119 -13.332 16.647 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.460 -13.009 14.251 1.00 0.00 C ATOM 0 H ILE A 66 -29.835 -12.193 12.825 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.497 -13.879 14.358 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.422 -11.846 15.284 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.489 -14.564 15.287 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.134 -14.210 13.696 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.208 -13.322 17.245 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.854 -12.663 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.521 -14.345 16.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.744 -13.700 13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.687 -12.215 13.540 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.033 -12.575 15.155 1.00 0.00 H new ATOM 381 N VAL A 67 -31.773 -10.624 14.958 1.00 0.00 N ATOM 382 CA VAL A 67 -32.659 -9.604 15.506 1.00 0.00 C ATOM 383 C VAL A 67 -34.052 -9.700 14.894 1.00 0.00 C ATOM 384 O VAL A 67 -35.050 -9.795 15.608 1.00 0.00 O ATOM 385 CB VAL A 67 -32.102 -8.188 15.267 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.961 -7.149 15.971 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.656 -8.100 15.730 1.00 0.00 C ATOM 0 H VAL A 67 -30.904 -10.262 14.567 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.723 -9.784 16.579 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.130 -7.981 14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.551 -6.155 15.790 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.979 -7.197 15.586 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.969 -7.349 17.042 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.278 -7.093 15.554 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.600 -8.327 16.795 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.052 -8.817 15.174 1.00 0.00 H new ATOM 397 N GLY A 68 -34.113 -9.675 13.566 1.00 0.00 N ATOM 398 CA GLY A 68 -35.388 -9.761 12.880 1.00 0.00 C ATOM 399 C GLY A 68 -36.216 -10.944 13.340 1.00 0.00 C ATOM 400 O GLY A 68 -37.349 -10.779 13.796 1.00 0.00 O ATOM 0 H GLY A 68 -33.301 -9.597 12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.949 -8.842 13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.215 -9.838 11.807 1.00 0.00 H new ATOM 404 N LEU A 69 -35.652 -12.141 13.220 1.00 0.00 N ATOM 405 CA LEU A 69 -36.347 -13.358 13.626 1.00 0.00 C ATOM 406 C LEU A 69 -36.738 -13.296 15.099 1.00 0.00 C ATOM 407 O LEU A 69 -37.862 -13.637 15.469 1.00 0.00 O ATOM 408 CB LEU A 69 -35.464 -14.581 13.371 1.00 0.00 C ATOM 409 CG LEU A 69 -35.333 -15.023 11.913 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.425 -16.238 11.803 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.703 -15.324 11.323 1.00 0.00 C ATOM 0 H LEU A 69 -34.716 -12.295 12.845 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.257 -13.444 13.032 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.467 -14.371 13.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.860 -15.416 13.949 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.885 -14.208 11.345 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.344 -16.538 10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.436 -15.989 12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.844 -17.059 12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.591 -15.637 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.178 -16.122 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.323 -14.429 11.367 1.00 0.00 H new ATOM 423 N THR A 70 -35.803 -12.857 15.936 1.00 0.00 N ATOM 424 CA THR A 70 -36.050 -12.750 17.368 1.00 0.00 C ATOM 425 C THR A 70 -37.328 -11.969 17.649 1.00 0.00 C ATOM 426 O THR A 70 -38.061 -12.274 18.590 1.00 0.00 O ATOM 427 CB THR A 70 -34.874 -12.065 18.091 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.708 -12.893 18.023 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.221 -11.787 19.546 1.00 0.00 C ATOM 0 H THR A 70 -34.868 -12.570 15.646 1.00 0.00 H new ATOM 0 HA THR A 70 -36.158 -13.766 17.747 1.00 0.00 H new ATOM 0 HB THR A 70 -34.674 -11.116 17.594 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.321 -12.839 17.124 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.376 -11.303 20.036 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.091 -11.132 19.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.445 -12.726 20.052 1.00 0.00 H new ATOM 437 N PHE A 71 -37.592 -10.959 16.826 1.00 0.00 N ATOM 438 CA PHE A 71 -38.783 -10.133 16.986 1.00 0.00 C ATOM 439 C PHE A 71 -40.035 -10.898 16.568 1.00 0.00 C ATOM 440 O PHE A 71 -41.030 -10.924 17.291 1.00 0.00 O ATOM 441 CB PHE A 71 -38.655 -8.851 16.161 1.00 0.00 C ATOM 442 CG PHE A 71 -39.780 -7.880 16.384 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.972 -8.010 15.691 1.00 0.00 C ATOM 444 CD2 PHE A 71 -39.644 -6.837 17.286 1.00 0.00 C ATOM 445 CE1 PHE A 71 -42.009 -7.119 15.894 1.00 0.00 C ATOM 446 CE2 PHE A 71 -40.677 -5.943 17.494 1.00 0.00 C ATOM 447 CZ PHE A 71 -41.861 -6.083 16.796 1.00 0.00 C ATOM 0 H PHE A 71 -36.997 -10.693 16.041 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.874 -9.870 18.040 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.711 -8.364 16.406 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.615 -9.111 15.103 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -41.093 -8.817 14.984 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -38.720 -6.721 17.833 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.934 -7.233 15.348 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -40.559 -5.136 18.202 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.669 -5.384 16.955 1.00 0.00 H new ATOM 457 N ALA A 72 -39.978 -11.519 15.394 1.00 0.00 N ATOM 458 CA ALA A 72 -41.106 -12.285 14.879 1.00 0.00 C ATOM 459 C ALA A 72 -41.395 -13.496 15.760 1.00 0.00 C ATOM 460 O ALA A 72 -42.519 -13.996 15.796 1.00 0.00 O ATOM 461 CB ALA A 72 -40.835 -12.725 13.448 1.00 0.00 C ATOM 0 H ALA A 72 -39.162 -11.506 14.782 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.986 -11.642 14.890 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.685 -13.296 13.076 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.684 -11.847 12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.941 -13.347 13.422 1.00 0.00 H new ATOM 467 N VAL A 73 -40.373 -13.963 16.470 1.00 0.00 N ATOM 468 CA VAL A 73 -40.518 -15.115 17.352 1.00 0.00 C ATOM 469 C VAL A 73 -41.080 -14.702 18.708 1.00 0.00 C ATOM 470 O VAL A 73 -42.002 -15.331 19.227 1.00 0.00 O ATOM 471 CB VAL A 73 -39.171 -15.832 17.564 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.329 -16.986 18.543 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.614 -16.322 16.236 1.00 0.00 C ATOM 0 H VAL A 73 -39.436 -13.561 16.452 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.214 -15.800 16.867 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.463 -15.120 17.989 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.368 -17.481 18.680 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.681 -16.604 19.501 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.052 -17.701 18.149 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.662 -16.826 16.404 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.318 -17.019 15.781 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.462 -15.473 15.570 1.00 0.00 H new ATOM 483 N TYR A 74 -40.519 -13.640 19.276 1.00 0.00 N ATOM 484 CA TYR A 74 -40.963 -13.144 20.573 1.00 0.00 C ATOM 485 C TYR A 74 -42.452 -12.814 20.549 1.00 0.00 C ATOM 486 O TYR A 74 -43.180 -13.107 21.498 1.00 0.00 O ATOM 487 CB TYR A 74 -40.161 -11.903 20.969 1.00 0.00 C ATOM 488 CG TYR A 74 -40.293 -11.537 22.430 1.00 0.00 C ATOM 489 CD1 TYR A 74 -39.581 -12.226 23.405 1.00 0.00 C ATOM 490 CD2 TYR A 74 -41.129 -10.505 22.836 1.00 0.00 C ATOM 491 CE1 TYR A 74 -39.699 -11.896 24.742 1.00 0.00 C ATOM 492 CE2 TYR A 74 -41.252 -10.167 24.170 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.535 -10.866 25.119 1.00 0.00 C ATOM 494 OH TYR A 74 -40.656 -10.534 26.449 1.00 0.00 O ATOM 0 H TYR A 74 -39.756 -13.106 18.859 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.795 -13.928 21.311 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.109 -12.072 20.739 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.489 -11.060 20.361 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -38.925 -13.033 23.113 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -41.693 -9.957 22.096 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -39.140 -12.442 25.487 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -41.905 -9.360 24.468 1.00 0.00 H new ATOM 0 HH TYR A 74 -41.283 -9.787 26.544 1.00 0.00 H new ATOM 504 N VAL A 75 -42.899 -12.202 19.457 1.00 0.00 N ATOM 505 CA VAL A 75 -44.302 -11.834 19.307 1.00 0.00 C ATOM 506 C VAL A 75 -45.186 -13.070 19.195 1.00 0.00 C ATOM 507 O VAL A 75 -46.220 -13.169 19.857 1.00 0.00 O ATOM 508 CB VAL A 75 -44.519 -10.947 18.067 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.001 -10.674 17.859 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.743 -9.645 18.200 1.00 0.00 C ATOM 0 H VAL A 75 -42.310 -11.951 18.663 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.579 -11.273 20.200 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.145 -11.479 17.192 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.135 -10.046 16.978 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.528 -11.617 17.716 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.403 -10.163 18.734 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.908 -9.031 17.315 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.085 -9.107 19.084 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.680 -9.864 18.297 1.00 0.00 H new ATOM 520 N ARG A 76 -44.773 -14.013 18.354 1.00 0.00 N ATOM 521 CA ARG A 76 -45.528 -15.244 18.155 1.00 0.00 C ATOM 522 C ARG A 76 -45.804 -15.934 19.487 1.00 0.00 C ATOM 523 O ARG A 76 -46.867 -16.524 19.683 1.00 0.00 O ATOM 524 CB ARG A 76 -44.765 -16.191 17.226 1.00 0.00 C ATOM 525 CG ARG A 76 -44.805 -15.774 15.765 1.00 0.00 C ATOM 526 CD ARG A 76 -45.740 -16.662 14.958 1.00 0.00 C ATOM 527 NE ARG A 76 -45.726 -16.323 13.538 1.00 0.00 N ATOM 528 CZ ARG A 76 -46.396 -15.300 13.019 1.00 0.00 C ATOM 529 NH1 ARG A 76 -47.130 -14.520 13.801 1.00 0.00 N ATOM 530 NH2 ARG A 76 -46.333 -15.056 11.716 1.00 0.00 N ATOM 0 H ARG A 76 -43.919 -13.948 17.800 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.482 -14.985 17.695 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.726 -16.246 17.551 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.182 -17.194 17.321 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.132 -14.737 15.690 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.801 -15.823 15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -45.449 -17.705 15.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.755 -16.565 15.344 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.171 -16.904 12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -47.181 -14.705 14.803 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -47.644 -13.735 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -45.770 -15.654 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.848 -14.270 11.319 1.00 0.00 H new ATOM 544 N ARG A 77 -44.841 -15.855 20.399 1.00 0.00 N ATOM 545 CA ARG A 77 -44.979 -16.473 21.712 1.00 0.00 C ATOM 546 C ARG A 77 -46.229 -15.964 22.424 1.00 0.00 C ATOM 547 O ARG A 77 -46.765 -16.627 23.313 1.00 0.00 O ATOM 548 CB ARG A 77 -43.742 -16.190 22.566 1.00 0.00 C ATOM 549 CG ARG A 77 -42.504 -16.948 22.116 1.00 0.00 C ATOM 550 CD ARG A 77 -41.365 -16.795 23.111 1.00 0.00 C ATOM 551 NE ARG A 77 -41.641 -17.482 24.370 1.00 0.00 N ATOM 552 CZ ARG A 77 -40.790 -17.519 25.389 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.615 -16.910 25.299 1.00 0.00 N ATOM 554 NH2 ARG A 77 -41.113 -18.165 26.502 1.00 0.00 N ATOM 0 H ARG A 77 -43.956 -15.369 20.253 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.075 -17.549 21.570 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.531 -15.121 22.542 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.959 -16.449 23.602 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.746 -18.004 21.998 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.187 -16.582 21.139 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.448 -17.191 22.675 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.194 -15.736 23.306 1.00 0.00 H new ATOM 0 HE ARG A 77 -42.536 -17.960 24.472 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.363 -16.412 24.446 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.964 -16.940 26.083 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -42.016 -18.634 26.576 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -40.459 -18.193 27.284 1.00 0.00 H new ATOM 568 N LYS A 78 -46.689 -14.782 22.027 1.00 0.00 N ATOM 569 CA LYS A 78 -47.877 -14.183 22.625 1.00 0.00 C ATOM 570 C LYS A 78 -49.147 -14.749 21.998 1.00 0.00 C ATOM 571 O LYS A 78 -50.166 -14.904 22.670 1.00 0.00 O ATOM 572 CB LYS A 78 -47.846 -12.662 22.455 1.00 0.00 C ATOM 573 CG LYS A 78 -47.801 -11.904 23.771 1.00 0.00 C ATOM 574 CD LYS A 78 -47.320 -10.476 23.575 1.00 0.00 C ATOM 575 CE LYS A 78 -46.140 -10.157 24.480 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.504 -10.250 25.921 1.00 0.00 N ATOM 0 H LYS A 78 -46.257 -14.220 21.294 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.879 -14.425 23.688 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.976 -12.389 21.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.727 -12.349 21.895 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.793 -11.896 24.222 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.139 -12.420 24.467 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.032 -10.327 22.534 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.136 -9.784 23.782 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.323 -10.846 24.267 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.776 -9.153 24.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.761 -9.804 26.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.408 -9.762 26.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -46.597 -11.250 26.192 1.00 0.00 H new ATOM 875 N LEU B 52 -10.967 -6.863 8.437 1.00 0.00 N ATOM 876 CA LEU B 52 -11.966 -7.921 8.329 1.00 0.00 C ATOM 877 C LEU B 52 -12.889 -7.923 9.544 1.00 0.00 C ATOM 878 O LEU B 52 -14.073 -7.602 9.437 1.00 0.00 O ATOM 879 CB LEU B 52 -11.284 -9.282 8.190 1.00 0.00 C ATOM 880 CG LEU B 52 -12.192 -10.505 8.321 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.218 -10.530 7.198 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.368 -11.784 8.321 1.00 0.00 C ATOM 0 HA LEU B 52 -12.566 -7.731 7.439 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.793 -9.322 7.218 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.502 -9.353 8.946 1.00 0.00 H new ATOM 0 HG LEU B 52 -12.723 -10.439 9.270 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.856 -11.407 7.307 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.830 -9.629 7.244 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.705 -10.572 6.237 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.031 -12.644 8.415 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.809 -11.857 7.388 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -10.672 -11.769 9.160 1.00 0.00 H new ATOM 894 N ILE B 53 -12.339 -8.285 10.698 1.00 0.00 N ATOM 895 CA ILE B 53 -13.112 -8.326 11.933 1.00 0.00 C ATOM 896 C ILE B 53 -13.746 -6.971 12.229 1.00 0.00 C ATOM 897 O ILE B 53 -14.916 -6.891 12.602 1.00 0.00 O ATOM 898 CB ILE B 53 -12.238 -8.744 13.130 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.535 -10.071 12.837 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.084 -8.853 14.390 1.00 0.00 C ATOM 901 CD1 ILE B 53 -12.471 -11.260 12.818 1.00 0.00 C ATOM 0 H ILE B 53 -11.361 -8.554 10.803 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.897 -9.069 11.790 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.478 -7.980 13.291 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -11.031 -10.001 11.873 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.764 -10.238 13.589 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.453 -9.149 15.228 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.543 -7.888 14.605 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.864 -9.600 14.241 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -11.904 -12.166 12.604 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -12.957 -11.356 13.789 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -13.228 -11.115 12.047 1.00 0.00 H new ATOM 913 N ALA B 54 -12.966 -5.909 12.059 1.00 0.00 N ATOM 914 CA ALA B 54 -13.452 -4.557 12.305 1.00 0.00 C ATOM 915 C ALA B 54 -14.742 -4.289 11.536 1.00 0.00 C ATOM 916 O ALA B 54 -15.780 -4.000 12.129 1.00 0.00 O ATOM 917 CB ALA B 54 -12.389 -3.537 11.927 1.00 0.00 C ATOM 0 H ALA B 54 -11.995 -5.959 11.752 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.668 -4.463 13.369 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.766 -2.532 12.116 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.493 -3.707 12.524 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.145 -3.640 10.870 1.00 0.00 H new ATOM 923 N ALA B 55 -14.667 -4.388 10.212 1.00 0.00 N ATOM 924 CA ALA B 55 -15.829 -4.157 9.363 1.00 0.00 C ATOM 925 C ALA B 55 -17.026 -4.975 9.836 1.00 0.00 C ATOM 926 O ALA B 55 -18.162 -4.504 9.807 1.00 0.00 O ATOM 927 CB ALA B 55 -15.499 -4.490 7.915 1.00 0.00 C ATOM 0 H ALA B 55 -13.814 -4.626 9.705 1.00 0.00 H new ATOM 0 HA ALA B 55 -16.094 -3.102 9.431 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.376 -4.313 7.292 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.678 -3.859 7.574 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.206 -5.537 7.840 1.00 0.00 H new ATOM 933 N GLY B 56 -16.763 -6.203 10.272 1.00 0.00 N ATOM 934 CA GLY B 56 -17.829 -7.067 10.744 1.00 0.00 C ATOM 935 C GLY B 56 -18.631 -6.438 11.866 1.00 0.00 C ATOM 936 O GLY B 56 -19.848 -6.289 11.761 1.00 0.00 O ATOM 0 H GLY B 56 -15.831 -6.615 10.307 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.495 -7.304 9.914 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.403 -8.009 11.090 1.00 0.00 H new ATOM 940 N VAL B 57 -17.947 -6.069 12.945 1.00 0.00 N ATOM 941 CA VAL B 57 -18.603 -5.453 14.092 1.00 0.00 C ATOM 942 C VAL B 57 -19.232 -4.117 13.713 1.00 0.00 C ATOM 943 O VAL B 57 -20.318 -3.775 14.183 1.00 0.00 O ATOM 944 CB VAL B 57 -17.615 -5.232 15.252 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.351 -4.772 16.501 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.824 -6.502 15.527 1.00 0.00 C ATOM 0 H VAL B 57 -16.939 -6.186 13.048 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.384 -6.140 14.416 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.913 -4.449 14.964 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.636 -4.621 17.310 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.868 -3.835 16.294 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.077 -5.530 16.795 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.131 -6.328 16.350 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.509 -7.307 15.794 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.265 -6.783 14.635 1.00 0.00 H new ATOM 956 N ILE B 58 -18.543 -3.365 12.861 1.00 0.00 N ATOM 957 CA ILE B 58 -19.035 -2.067 12.418 1.00 0.00 C ATOM 958 C ILE B 58 -20.340 -2.209 11.641 1.00 0.00 C ATOM 959 O ILE B 58 -21.295 -1.468 11.869 1.00 0.00 O ATOM 960 CB ILE B 58 -18.001 -1.345 11.534 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.756 -0.994 12.352 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.610 -0.092 10.923 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.645 -0.383 11.528 1.00 0.00 C ATOM 0 H ILE B 58 -17.642 -3.633 12.464 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.212 -1.474 13.315 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.706 -2.013 10.725 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -17.035 -0.298 13.143 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.384 -1.896 12.837 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.867 0.407 10.301 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.470 -0.366 10.312 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.930 0.582 11.718 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.795 -0.160 12.172 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.338 -1.085 10.753 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -16.000 0.537 11.064 1.00 0.00 H new ATOM 975 N GLY B 59 -20.373 -3.170 10.722 1.00 0.00 N ATOM 976 CA GLY B 59 -21.566 -3.394 9.926 1.00 0.00 C ATOM 977 C GLY B 59 -22.778 -3.718 10.777 1.00 0.00 C ATOM 978 O GLY B 59 -23.828 -3.093 10.637 1.00 0.00 O ATOM 0 H GLY B 59 -19.595 -3.797 10.515 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.772 -2.506 9.328 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.386 -4.213 9.229 1.00 0.00 H new ATOM 982 N GLY B 60 -22.633 -4.701 11.661 1.00 0.00 N ATOM 983 CA GLY B 60 -23.733 -5.091 12.523 1.00 0.00 C ATOM 984 C GLY B 60 -24.264 -3.934 13.346 1.00 0.00 C ATOM 985 O GLY B 60 -25.475 -3.787 13.517 1.00 0.00 O ATOM 0 H GLY B 60 -21.774 -5.234 11.795 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.540 -5.500 11.915 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.403 -5.886 13.191 1.00 0.00 H new ATOM 989 N LEU B 61 -23.356 -3.110 13.859 1.00 0.00 N ATOM 990 CA LEU B 61 -23.739 -1.960 14.671 1.00 0.00 C ATOM 991 C LEU B 61 -24.434 -0.901 13.822 1.00 0.00 C ATOM 992 O LEU B 61 -25.597 -0.570 14.052 1.00 0.00 O ATOM 993 CB LEU B 61 -22.508 -1.358 15.351 1.00 0.00 C ATOM 994 CG LEU B 61 -22.001 -2.092 16.593 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.640 -1.557 17.011 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.000 -1.964 17.733 1.00 0.00 C ATOM 0 H LEU B 61 -22.350 -3.217 13.727 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.437 -2.302 15.435 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.699 -1.317 14.622 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.738 -0.330 15.630 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.893 -3.149 16.348 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.295 -2.091 17.896 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.927 -1.702 16.199 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.721 -0.494 17.237 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.623 -2.492 18.609 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.140 -0.911 17.977 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.954 -2.397 17.431 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.714 -0.374 12.837 1.00 0.00 N ATOM 1009 CA PHE B 62 -24.262 0.647 11.951 1.00 0.00 C ATOM 1010 C PHE B 62 -25.601 0.203 11.372 1.00 0.00 C ATOM 1011 O PHE B 62 -26.608 0.900 11.503 1.00 0.00 O ATOM 1012 CB PHE B 62 -23.278 0.950 10.819 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.750 2.032 9.889 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -24.307 3.198 10.388 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.636 1.882 8.517 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.743 4.195 9.535 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -24.069 2.876 7.658 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.622 4.034 8.169 1.00 0.00 C ATOM 0 H PHE B 62 -22.750 -0.637 12.632 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.423 1.553 12.536 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -22.321 1.244 11.249 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -23.104 0.039 10.246 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -24.402 3.330 11.456 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -23.204 0.978 8.113 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -25.178 5.098 9.937 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.975 2.747 6.590 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.959 4.813 7.501 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.605 -0.961 10.731 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.820 -1.499 10.131 1.00 0.00 C ATOM 1030 C ILE B 63 -27.955 -1.556 11.148 1.00 0.00 C ATOM 1031 O ILE B 63 -29.101 -1.229 10.835 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.588 -2.909 9.557 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.622 -2.848 8.372 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.910 -3.534 9.138 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -26.183 -2.119 7.172 1.00 0.00 C ATOM 0 H ILE B 63 -24.780 -1.550 10.614 1.00 0.00 H new ATOM 0 HA ILE B 63 -27.096 -0.827 9.319 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.143 -3.533 10.332 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.702 -2.356 8.688 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.356 -3.863 8.078 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.730 -4.530 8.734 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.569 -3.607 10.004 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.380 -2.913 8.375 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.444 -2.115 6.371 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -27.087 -2.623 6.830 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.423 -1.093 7.449 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.630 -1.973 12.367 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.622 -2.072 13.431 1.00 0.00 C ATOM 1049 C LEU B 64 -29.113 -0.689 13.849 1.00 0.00 C ATOM 1050 O LEU B 64 -30.287 -0.507 14.173 1.00 0.00 O ATOM 1051 CB LEU B 64 -28.032 -2.802 14.639 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.104 -4.329 14.601 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.319 -4.929 15.757 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.552 -4.795 14.639 1.00 0.00 C ATOM 0 H LEU B 64 -26.687 -2.248 12.643 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.471 -2.639 13.050 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.987 -2.510 14.740 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.548 -2.456 15.535 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.657 -4.672 13.668 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.382 -6.016 15.714 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.275 -4.622 15.686 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.737 -4.579 16.701 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.585 -5.884 14.611 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -30.024 -4.441 15.555 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.086 -4.394 13.778 1.00 0.00 H new ATOM 1066 N VAL B 65 -28.207 0.284 13.836 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.548 1.651 14.210 1.00 0.00 C ATOM 1068 C VAL B 65 -29.655 2.204 13.319 1.00 0.00 C ATOM 1069 O VAL B 65 -30.621 2.793 13.806 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.322 2.579 14.122 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.709 4.009 14.466 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -26.213 2.083 15.038 1.00 0.00 C ATOM 0 H VAL B 65 -27.231 0.150 13.570 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.897 1.619 15.242 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.950 2.565 13.098 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.830 4.650 14.398 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.468 4.359 13.766 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -28.107 4.044 15.480 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.354 2.750 14.964 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.571 2.066 16.067 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.918 1.077 14.740 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.507 2.012 12.013 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.496 2.490 11.054 1.00 0.00 C ATOM 1084 C ILE B 66 -31.826 1.766 11.228 1.00 0.00 C ATOM 1085 O ILE B 66 -32.864 2.393 11.439 1.00 0.00 O ATOM 1086 CB ILE B 66 -30.009 2.306 9.605 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.639 2.961 9.416 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -31.020 2.889 8.628 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.559 1.991 8.990 1.00 0.00 C ATOM 0 H ILE B 66 -28.712 1.529 11.594 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.637 3.553 11.249 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.911 1.239 9.404 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.723 3.750 8.669 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -28.341 3.437 10.350 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.661 2.751 7.608 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.977 2.381 8.748 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -31.147 3.953 8.827 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.615 2.525 8.875 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.447 1.215 9.747 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.835 1.533 8.040 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.788 0.440 11.140 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.990 -0.371 11.290 1.00 0.00 C ATOM 1103 C VAL B 67 -33.702 -0.060 12.601 1.00 0.00 C ATOM 1104 O VAL B 67 -34.893 0.247 12.615 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.662 -1.875 11.241 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.938 -2.702 11.271 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.836 -2.200 10.005 1.00 0.00 C ATOM 0 H VAL B 67 -30.937 -0.095 10.966 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.646 -0.122 10.456 1.00 0.00 H new ATOM 0 HB VAL B 67 -32.072 -2.129 12.122 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.686 -3.762 11.236 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.487 -2.490 12.188 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.557 -2.448 10.411 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.613 -3.267 9.986 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.398 -1.931 9.111 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.904 -1.635 10.031 1.00 0.00 H new