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 91: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 -11.909 -10.148 2.329 1.00 0.00 N ATOM 142 CA PRO A 51 -12.471 -10.470 3.644 1.00 0.00 C ATOM 143 C PRO A 51 -13.126 -9.262 4.305 1.00 0.00 C ATOM 144 O PRO A 51 -14.208 -9.370 4.884 1.00 0.00 O ATOM 145 CB PRO A 51 -11.251 -10.924 4.449 1.00 0.00 C ATOM 146 CG PRO A 51 -10.093 -10.253 3.795 1.00 0.00 C ATOM 147 CD PRO A 51 -10.436 -10.168 2.333 1.00 0.00 C ATOM 0 HA PRO A 51 -13.259 -11.220 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.337 -10.633 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.144 -12.009 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.928 -9.261 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.175 -10.821 3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.021 -9.271 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.044 -11.020 1.778 1.00 0.00 H new ATOM 155 N LEU A 52 -12.466 -8.113 4.216 1.00 0.00 N ATOM 156 CA LEU A 52 -12.985 -6.884 4.805 1.00 0.00 C ATOM 157 C LEU A 52 -14.414 -6.619 4.342 1.00 0.00 C ATOM 158 O LEU A 52 -15.358 -6.707 5.128 1.00 0.00 O ATOM 159 CB LEU A 52 -12.089 -5.700 4.436 1.00 0.00 C ATOM 160 CG LEU A 52 -12.518 -4.338 4.983 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.493 -4.341 6.504 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.622 -3.237 4.435 1.00 0.00 C ATOM 0 H LEU A 52 -11.570 -8.007 3.741 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.990 -7.004 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.080 -5.910 4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.038 -5.633 3.349 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.540 -4.143 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.801 -3.363 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.177 -5.103 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.483 -4.559 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.942 -2.275 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.590 -3.427 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.691 -3.219 3.347 1.00 0.00 H new ATOM 174 N ILE A 53 -14.565 -6.297 3.062 1.00 0.00 N ATOM 175 CA ILE A 53 -15.879 -6.024 2.493 1.00 0.00 C ATOM 176 C ILE A 53 -16.840 -7.180 2.749 1.00 0.00 C ATOM 177 O ILE A 53 -17.981 -6.972 3.163 1.00 0.00 O ATOM 178 CB ILE A 53 -15.795 -5.767 0.977 1.00 0.00 C ATOM 179 CG1 ILE A 53 -14.782 -4.658 0.682 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.164 -5.402 0.425 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.656 -4.332 -0.790 1.00 0.00 C ATOM 0 H ILE A 53 -13.794 -6.219 2.399 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.255 -5.126 2.984 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.459 -6.680 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.074 -3.757 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.806 -4.957 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.088 -5.223 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -17.860 -6.220 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.527 -4.500 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.921 -3.538 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.334 -5.221 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.621 -4.002 -1.174 1.00 0.00 H new ATOM 193 N ALA A 54 -16.371 -8.398 2.501 1.00 0.00 N ATOM 194 CA ALA A 54 -17.187 -9.588 2.707 1.00 0.00 C ATOM 195 C ALA A 54 -17.798 -9.598 4.104 1.00 0.00 C ATOM 196 O ALA A 54 -19.019 -9.594 4.258 1.00 0.00 O ATOM 197 CB ALA A 54 -16.357 -10.843 2.483 1.00 0.00 C ATOM 0 H ALA A 54 -15.430 -8.587 2.157 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.001 -9.571 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.980 -11.724 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.973 -10.848 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.523 -10.858 3.185 1.00 0.00 H new ATOM 203 N ALA A 55 -16.941 -9.613 5.120 1.00 0.00 N ATOM 204 CA ALA A 55 -17.398 -9.623 6.504 1.00 0.00 C ATOM 205 C ALA A 55 -18.401 -8.504 6.760 1.00 0.00 C ATOM 206 O ALA A 55 -19.322 -8.653 7.561 1.00 0.00 O ATOM 207 CB ALA A 55 -16.213 -9.500 7.451 1.00 0.00 C ATOM 0 H ALA A 55 -15.927 -9.618 5.010 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.900 -10.573 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.568 -9.509 8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.534 -10.338 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.687 -8.565 7.256 1.00 0.00 H new ATOM 213 N GLY A 56 -18.215 -7.380 6.073 1.00 0.00 N ATOM 214 CA GLY A 56 -19.111 -6.251 6.241 1.00 0.00 C ATOM 215 C GLY A 56 -20.544 -6.590 5.882 1.00 0.00 C ATOM 216 O GLY A 56 -21.448 -6.446 6.705 1.00 0.00 O ATOM 0 H GLY A 56 -17.460 -7.232 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.070 -5.909 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.769 -5.424 5.618 1.00 0.00 H new ATOM 220 N VAL A 57 -20.753 -7.040 4.649 1.00 0.00 N ATOM 221 CA VAL A 57 -22.087 -7.400 4.183 1.00 0.00 C ATOM 222 C VAL A 57 -22.645 -8.579 4.972 1.00 0.00 C ATOM 223 O VAL A 57 -23.841 -8.635 5.259 1.00 0.00 O ATOM 224 CB VAL A 57 -22.080 -7.757 2.684 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.500 -7.942 2.173 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.352 -6.686 1.885 1.00 0.00 C ATOM 0 H VAL A 57 -20.016 -7.164 3.955 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.723 -6.529 4.339 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.547 -8.699 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.475 -8.194 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.984 -8.747 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.061 -7.018 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.357 -6.954 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.854 -5.728 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.323 -6.608 2.235 1.00 0.00 H new ATOM 236 N ILE A 58 -21.772 -9.518 5.319 1.00 0.00 N ATOM 237 CA ILE A 58 -22.178 -10.696 6.077 1.00 0.00 C ATOM 238 C ILE A 58 -22.651 -10.313 7.475 1.00 0.00 C ATOM 239 O ILE A 58 -23.716 -10.738 7.920 1.00 0.00 O ATOM 240 CB ILE A 58 -21.028 -11.713 6.196 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.648 -12.250 4.815 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.423 -12.852 7.124 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.447 -13.169 4.833 1.00 0.00 C ATOM 0 H ILE A 58 -20.779 -9.487 5.088 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.002 -11.155 5.530 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.159 -11.210 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.499 -12.786 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.443 -11.410 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.600 -13.563 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.649 -12.454 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.304 -13.357 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.236 -13.511 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.583 -12.631 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.656 -14.028 5.470 1.00 0.00 H new ATOM 255 N GLY A 59 -21.850 -9.505 8.164 1.00 0.00 N ATOM 256 CA GLY A 59 -22.204 -9.077 9.505 1.00 0.00 C ATOM 257 C GLY A 59 -23.560 -8.401 9.559 1.00 0.00 C ATOM 258 O GLY A 59 -24.419 -8.778 10.355 1.00 0.00 O ATOM 0 H GLY A 59 -20.963 -9.140 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.205 -9.941 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.444 -8.390 9.876 1.00 0.00 H new ATOM 262 N GLY A 60 -23.753 -7.396 8.709 1.00 0.00 N ATOM 263 CA GLY A 60 -25.015 -6.680 8.681 1.00 0.00 C ATOM 264 C GLY A 60 -26.196 -7.597 8.430 1.00 0.00 C ATOM 265 O GLY A 60 -27.235 -7.476 9.080 1.00 0.00 O ATOM 0 H GLY A 60 -23.058 -7.065 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.156 -6.162 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -24.979 -5.917 7.903 1.00 0.00 H new ATOM 269 N LEU A 61 -26.038 -8.516 7.484 1.00 0.00 N ATOM 270 CA LEU A 61 -27.101 -9.457 7.147 1.00 0.00 C ATOM 271 C LEU A 61 -27.357 -10.424 8.298 1.00 0.00 C ATOM 272 O LEU A 61 -28.467 -10.499 8.824 1.00 0.00 O ATOM 273 CB LEU A 61 -26.737 -10.236 5.882 1.00 0.00 C ATOM 274 CG LEU A 61 -26.862 -9.472 4.563 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.395 -10.334 3.400 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.296 -9.013 4.347 1.00 0.00 C ATOM 0 H LEU A 61 -25.185 -8.630 6.937 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.013 -8.888 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.710 -10.588 5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.373 -11.120 5.828 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.223 -8.590 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.491 -9.774 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.352 -10.613 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -27.007 -11.235 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.366 -8.471 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.955 -9.881 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.595 -8.358 5.165 1.00 0.00 H new ATOM 288 N PHE A 62 -26.322 -11.162 8.685 1.00 0.00 N ATOM 289 CA PHE A 62 -26.434 -12.125 9.775 1.00 0.00 C ATOM 290 C PHE A 62 -27.055 -11.478 11.009 1.00 0.00 C ATOM 291 O PHE A 62 -28.066 -11.952 11.530 1.00 0.00 O ATOM 292 CB PHE A 62 -25.059 -12.697 10.122 1.00 0.00 C ATOM 293 CG PHE A 62 -25.099 -13.744 11.198 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.066 -14.737 11.180 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.170 -13.737 12.226 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.105 -15.701 12.170 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.205 -14.699 13.218 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.173 -15.683 13.189 1.00 0.00 C ATOM 0 H PHE A 62 -25.396 -11.112 8.260 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.084 -12.936 9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.616 -13.127 9.224 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.406 -11.884 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.796 -14.758 10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.409 -12.971 12.253 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.865 -16.468 12.147 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.476 -14.681 14.015 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.201 -16.437 13.962 1.00 0.00 H new ATOM 308 N ILE A 63 -26.442 -10.394 11.473 1.00 0.00 N ATOM 309 CA ILE A 63 -26.934 -9.682 12.646 1.00 0.00 C ATOM 310 C ILE A 63 -28.417 -9.355 12.509 1.00 0.00 C ATOM 311 O ILE A 63 -29.190 -9.517 13.454 1.00 0.00 O ATOM 312 CB ILE A 63 -26.151 -8.376 12.881 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.708 -8.687 13.284 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.835 -7.534 13.948 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.588 -9.347 14.640 1.00 0.00 C ATOM 0 H ILE A 63 -25.604 -9.990 11.055 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.788 -10.343 13.501 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.134 -7.807 11.952 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.261 -9.337 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.133 -7.761 13.287 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.270 -6.615 14.103 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.847 -7.289 13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.879 -8.095 14.882 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.538 -9.538 14.860 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -25.005 -8.689 15.403 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.135 -10.290 14.636 1.00 0.00 H new ATOM 327 N LEU A 64 -28.809 -8.894 11.326 1.00 0.00 N ATOM 328 CA LEU A 64 -30.200 -8.546 11.063 1.00 0.00 C ATOM 329 C LEU A 64 -31.092 -9.782 11.120 1.00 0.00 C ATOM 330 O LEU A 64 -32.207 -9.733 11.638 1.00 0.00 O ATOM 331 CB LEU A 64 -30.329 -7.873 9.695 1.00 0.00 C ATOM 332 CG LEU A 64 -29.870 -6.417 9.617 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.692 -5.990 8.168 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.862 -5.506 10.325 1.00 0.00 C ATOM 0 H LEU A 64 -28.182 -8.753 10.534 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.526 -7.850 11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.756 -8.453 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.373 -7.921 9.386 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.907 -6.333 10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.365 -4.951 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.943 -6.623 7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.640 -6.090 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.519 -4.474 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.840 -5.594 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.939 -5.797 11.373 1.00 0.00 H new ATOM 346 N VAL A 65 -30.591 -10.892 10.586 1.00 0.00 N ATOM 347 CA VAL A 65 -31.340 -12.142 10.579 1.00 0.00 C ATOM 348 C VAL A 65 -31.775 -12.530 11.988 1.00 0.00 C ATOM 349 O VAL A 65 -32.938 -12.860 12.220 1.00 0.00 O ATOM 350 CB VAL A 65 -30.509 -13.291 9.976 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.320 -14.577 9.944 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.025 -12.922 8.582 1.00 0.00 C ATOM 0 H VAL A 65 -29.669 -10.950 10.153 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.223 -11.978 9.961 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.636 -13.456 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.717 -15.377 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.613 -14.848 10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.212 -14.429 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.440 -13.744 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.883 -12.729 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.405 -12.027 8.637 1.00 0.00 H new ATOM 362 N ILE A 66 -30.834 -12.488 12.925 1.00 0.00 N ATOM 363 CA ILE A 66 -31.120 -12.833 14.311 1.00 0.00 C ATOM 364 C ILE A 66 -32.140 -11.874 14.917 1.00 0.00 C ATOM 365 O ILE A 66 -33.197 -12.293 15.391 1.00 0.00 O ATOM 366 CB ILE A 66 -29.843 -12.816 15.172 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.785 -13.743 14.570 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.162 -13.224 16.602 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.511 -13.030 14.174 1.00 0.00 C ATOM 0 H ILE A 66 -29.866 -12.218 12.749 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.531 -13.843 14.306 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.445 -11.801 15.186 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.545 -14.524 15.291 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.203 -14.237 13.693 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.249 -13.207 17.197 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.885 -12.528 17.026 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.581 -14.230 16.608 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.807 -13.749 13.755 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.737 -12.267 13.429 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.069 -12.559 15.052 1.00 0.00 H new ATOM 381 N VAL A 67 -31.818 -10.585 14.896 1.00 0.00 N ATOM 382 CA VAL A 67 -32.707 -9.566 15.440 1.00 0.00 C ATOM 383 C VAL A 67 -34.109 -9.689 14.854 1.00 0.00 C ATOM 384 O VAL A 67 -35.092 -9.792 15.586 1.00 0.00 O ATOM 385 CB VAL A 67 -32.170 -8.148 15.165 1.00 0.00 C ATOM 386 CG1 VAL A 67 -33.036 -7.106 15.857 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.721 -8.032 15.612 1.00 0.00 C ATOM 0 H VAL A 67 -30.948 -10.221 14.508 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.752 -9.728 16.517 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.211 -7.964 14.091 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.642 -6.111 15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -34.058 -7.176 15.483 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -33.030 -7.284 16.932 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.358 -7.024 15.410 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.652 -8.235 16.681 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.113 -8.753 15.066 1.00 0.00 H new ATOM 397 N GLY A 68 -34.192 -9.680 13.527 1.00 0.00 N ATOM 398 CA GLY A 68 -35.479 -9.792 12.864 1.00 0.00 C ATOM 399 C GLY A 68 -36.281 -10.982 13.354 1.00 0.00 C ATOM 400 O GLY A 68 -37.395 -10.824 13.856 1.00 0.00 O ATOM 0 H GLY A 68 -33.392 -9.597 12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -36.051 -8.879 13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.324 -9.880 11.789 1.00 0.00 H new ATOM 404 N LEU A 69 -35.717 -12.175 13.207 1.00 0.00 N ATOM 405 CA LEU A 69 -36.388 -13.397 13.636 1.00 0.00 C ATOM 406 C LEU A 69 -36.765 -13.321 15.112 1.00 0.00 C ATOM 407 O LEU A 69 -37.871 -13.696 15.502 1.00 0.00 O ATOM 408 CB LEU A 69 -35.489 -14.610 13.389 1.00 0.00 C ATOM 409 CG LEU A 69 -35.366 -15.069 11.936 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.446 -16.276 11.833 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.737 -15.391 11.360 1.00 0.00 C ATOM 0 H LEU A 69 -34.796 -12.323 12.794 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.302 -13.505 13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.491 -14.379 13.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.866 -15.443 13.982 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.931 -14.256 11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.371 -16.588 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.456 -16.012 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.851 -17.094 12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.630 -15.716 10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.199 -16.187 11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.366 -14.501 11.398 1.00 0.00 H new ATOM 423 N THR A 70 -35.838 -12.831 15.930 1.00 0.00 N ATOM 424 CA THR A 70 -36.073 -12.705 17.363 1.00 0.00 C ATOM 425 C THR A 70 -37.374 -11.962 17.643 1.00 0.00 C ATOM 426 O THR A 70 -38.113 -12.310 18.565 1.00 0.00 O ATOM 427 CB THR A 70 -34.914 -11.967 18.059 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.718 -12.752 17.984 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.250 -11.684 19.515 1.00 0.00 C ATOM 0 H THR A 70 -34.918 -12.515 15.624 1.00 0.00 H new ATOM 0 HA THR A 70 -36.142 -13.717 17.763 1.00 0.00 H new ATOM 0 HB THR A 70 -34.758 -11.017 17.547 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.223 -12.517 17.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.417 -11.162 19.986 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.144 -11.062 19.568 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.430 -12.624 20.036 1.00 0.00 H new ATOM 437 N PHE A 71 -37.650 -10.938 16.843 1.00 0.00 N ATOM 438 CA PHE A 71 -38.863 -10.146 17.005 1.00 0.00 C ATOM 439 C PHE A 71 -40.097 -10.954 16.614 1.00 0.00 C ATOM 440 O PHE A 71 -41.068 -11.028 17.366 1.00 0.00 O ATOM 441 CB PHE A 71 -38.784 -8.873 16.160 1.00 0.00 C ATOM 442 CG PHE A 71 -40.036 -8.045 16.204 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.601 -7.683 17.417 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.648 -7.627 15.034 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.753 -6.921 17.460 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.801 -6.866 15.071 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.353 -6.511 16.286 1.00 0.00 C ATOM 0 H PHE A 71 -37.050 -10.637 16.075 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.949 -9.871 18.056 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.946 -8.268 16.506 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.575 -9.146 15.126 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -40.136 -8.000 18.339 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.219 -7.899 14.081 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -42.184 -6.646 18.411 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.270 -6.549 14.151 1.00 0.00 H new ATOM 0 HZ PHE A 71 -43.252 -5.914 16.318 1.00 0.00 H new ATOM 457 N ALA A 72 -40.051 -11.557 15.431 1.00 0.00 N ATOM 458 CA ALA A 72 -41.163 -12.361 14.939 1.00 0.00 C ATOM 459 C ALA A 72 -41.422 -13.556 15.850 1.00 0.00 C ATOM 460 O ALA A 72 -42.550 -14.039 15.952 1.00 0.00 O ATOM 461 CB ALA A 72 -40.888 -12.828 13.517 1.00 0.00 C ATOM 0 H ALA A 72 -39.255 -11.504 14.795 1.00 0.00 H new ATOM 0 HA ALA A 72 -42.057 -11.738 14.938 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.727 -13.427 13.162 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.761 -11.962 12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.979 -13.430 13.501 1.00 0.00 H new ATOM 467 N VAL A 73 -40.370 -14.030 16.510 1.00 0.00 N ATOM 468 CA VAL A 73 -40.484 -15.169 17.414 1.00 0.00 C ATOM 469 C VAL A 73 -41.007 -14.737 18.779 1.00 0.00 C ATOM 470 O VAL A 73 -41.888 -15.380 19.349 1.00 0.00 O ATOM 471 CB VAL A 73 -39.129 -15.878 17.596 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.252 -17.015 18.598 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.611 -16.388 16.260 1.00 0.00 C ATOM 0 H VAL A 73 -39.429 -13.643 16.436 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.191 -15.864 16.961 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.411 -15.157 17.987 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.285 -17.504 18.714 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.575 -16.618 19.560 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -39.984 -17.739 18.239 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.653 -16.886 16.407 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.326 -17.094 15.838 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.482 -15.549 15.576 1.00 0.00 H new ATOM 483 N TYR A 74 -40.458 -13.644 19.298 1.00 0.00 N ATOM 484 CA TYR A 74 -40.868 -13.127 20.598 1.00 0.00 C ATOM 485 C TYR A 74 -42.370 -12.862 20.630 1.00 0.00 C ATOM 486 O TYR A 74 -43.046 -13.168 21.613 1.00 0.00 O ATOM 487 CB TYR A 74 -40.105 -11.841 20.922 1.00 0.00 C ATOM 488 CG TYR A 74 -40.192 -11.436 22.376 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.380 -10.955 22.914 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.087 -11.532 23.212 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.464 -10.583 24.242 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.162 -11.164 24.541 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.352 -10.690 25.051 1.00 0.00 C ATOM 494 OH TYR A 74 -40.431 -10.320 26.374 1.00 0.00 O ATOM 0 H TYR A 74 -39.728 -13.099 18.838 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.634 -13.880 21.350 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.057 -11.972 20.652 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.494 -11.032 20.304 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.252 -10.871 22.283 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.153 -11.901 22.816 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.395 -10.211 24.644 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.293 -11.247 25.177 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.562 -10.458 26.805 1.00 0.00 H new ATOM 504 N VAL A 75 -42.887 -12.291 19.546 1.00 0.00 N ATOM 505 CA VAL A 75 -44.309 -11.986 19.448 1.00 0.00 C ATOM 506 C VAL A 75 -45.144 -13.261 19.416 1.00 0.00 C ATOM 507 O VAL A 75 -46.154 -13.371 20.111 1.00 0.00 O ATOM 508 CB VAL A 75 -44.618 -11.151 18.191 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.119 -10.954 18.036 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.900 -9.811 18.251 1.00 0.00 C ATOM 0 H VAL A 75 -42.342 -12.031 18.724 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.570 -11.407 20.334 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.255 -11.693 17.318 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.318 -10.362 17.143 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.606 -11.925 17.944 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.510 -10.434 18.910 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -44.130 -9.235 17.355 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.231 -9.260 19.132 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.824 -9.977 18.310 1.00 0.00 H new ATOM 520 N ARG A 76 -44.715 -14.222 18.604 1.00 0.00 N ATOM 521 CA ARG A 76 -45.424 -15.490 18.481 1.00 0.00 C ATOM 522 C ARG A 76 -45.666 -16.113 19.852 1.00 0.00 C ATOM 523 O ARG A 76 -46.733 -16.671 20.112 1.00 0.00 O ATOM 524 CB ARG A 76 -44.630 -16.458 17.602 1.00 0.00 C ATOM 525 CG ARG A 76 -44.608 -16.069 16.133 1.00 0.00 C ATOM 526 CD ARG A 76 -45.433 -17.029 15.289 1.00 0.00 C ATOM 527 NE ARG A 76 -46.264 -16.326 14.316 1.00 0.00 N ATOM 528 CZ ARG A 76 -45.800 -15.833 13.173 1.00 0.00 C ATOM 529 NH1 ARG A 76 -44.517 -15.965 12.863 1.00 0.00 N ATOM 530 NH2 ARG A 76 -46.619 -15.206 12.338 1.00 0.00 N ATOM 0 H ARG A 76 -43.881 -14.147 18.022 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.390 -15.294 18.015 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.605 -16.512 17.970 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.057 -17.456 17.698 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -44.995 -15.057 16.018 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -43.579 -16.059 15.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -44.768 -17.717 14.768 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.067 -17.631 15.940 1.00 0.00 H new ATOM 0 HE ARG A 76 -47.255 -16.207 14.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -43.885 -16.446 13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -44.163 -15.586 11.985 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -47.606 -15.102 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.261 -14.828 11.461 1.00 0.00 H new ATOM 544 N ARG A 77 -44.669 -16.015 20.725 1.00 0.00 N ATOM 545 CA ARG A 77 -44.773 -16.571 22.069 1.00 0.00 C ATOM 546 C ARG A 77 -46.039 -16.077 22.765 1.00 0.00 C ATOM 547 O ARG A 77 -46.555 -16.728 23.673 1.00 0.00 O ATOM 548 CB ARG A 77 -43.543 -16.193 22.897 1.00 0.00 C ATOM 549 CG ARG A 77 -42.299 -16.988 22.536 1.00 0.00 C ATOM 550 CD ARG A 77 -41.058 -16.410 23.197 1.00 0.00 C ATOM 551 NE ARG A 77 -40.864 -16.931 24.548 1.00 0.00 N ATOM 552 CZ ARG A 77 -39.909 -16.508 25.368 1.00 0.00 C ATOM 553 NH1 ARG A 77 -39.065 -15.563 24.978 1.00 0.00 N ATOM 554 NH2 ARG A 77 -39.797 -17.031 26.583 1.00 0.00 N ATOM 0 H ARG A 77 -43.780 -15.556 20.526 1.00 0.00 H new ATOM 0 HA ARG A 77 -44.825 -17.656 21.983 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.337 -15.131 22.763 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.766 -16.343 23.953 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.427 -18.026 22.844 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -42.169 -16.990 21.454 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -40.183 -16.642 22.590 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.141 -15.324 23.236 1.00 0.00 H new ATOM 0 HE ARG A 77 -41.497 -17.659 24.879 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -39.148 -15.158 24.045 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -38.333 -15.241 25.611 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -40.445 -17.758 26.887 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -39.063 -16.706 27.213 1.00 0.00 H new ATOM 568 N LYS A 78 -46.533 -14.922 22.333 1.00 0.00 N ATOM 569 CA LYS A 78 -47.738 -14.340 22.912 1.00 0.00 C ATOM 570 C LYS A 78 -48.989 -14.910 22.252 1.00 0.00 C ATOM 571 O LYS A 78 -49.913 -15.356 22.932 1.00 0.00 O ATOM 572 CB LYS A 78 -47.717 -12.817 22.761 1.00 0.00 C ATOM 573 CG LYS A 78 -47.586 -12.077 24.081 1.00 0.00 C ATOM 574 CD LYS A 78 -47.043 -10.672 23.881 1.00 0.00 C ATOM 575 CE LYS A 78 -45.789 -10.436 24.709 1.00 0.00 C ATOM 576 NZ LYS A 78 -45.195 -9.096 24.446 1.00 0.00 N ATOM 0 H LYS A 78 -46.117 -14.370 21.583 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.761 -14.594 23.972 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.887 -12.536 22.113 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.633 -12.497 22.264 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.559 -12.026 24.569 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -46.925 -12.632 24.746 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -46.819 -10.514 22.826 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -47.805 -9.943 24.157 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -46.031 -10.524 25.768 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.054 -11.209 24.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -44.343 -8.974 25.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -44.940 -9.020 23.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -45.887 -8.357 24.684 1.00 0.00 H new ATOM 875 N LEU B 52 -10.891 -7.429 8.903 1.00 0.00 N ATOM 876 CA LEU B 52 -11.943 -8.437 8.828 1.00 0.00 C ATOM 877 C LEU B 52 -12.866 -8.352 10.040 1.00 0.00 C ATOM 878 O LEU B 52 -14.029 -7.968 9.921 1.00 0.00 O ATOM 879 CB LEU B 52 -11.331 -9.835 8.736 1.00 0.00 C ATOM 880 CG LEU B 52 -12.321 -10.996 8.630 1.00 0.00 C ATOM 881 CD1 LEU B 52 -13.126 -10.895 7.344 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.590 -12.329 8.701 1.00 0.00 C ATOM 0 HA LEU B 52 -12.532 -8.246 7.931 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.672 -9.865 7.868 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -10.707 -9.995 9.615 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.011 -10.938 9.472 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.825 -11.729 7.286 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.680 -9.956 7.334 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -12.451 -10.927 6.489 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.310 -13.143 8.624 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.876 -12.397 7.880 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.059 -12.403 9.650 1.00 0.00 H new ATOM 894 N ILE B 53 -12.338 -8.712 11.205 1.00 0.00 N ATOM 895 CA ILE B 53 -13.113 -8.674 12.439 1.00 0.00 C ATOM 896 C ILE B 53 -13.717 -7.292 12.666 1.00 0.00 C ATOM 897 O ILE B 53 -14.897 -7.165 12.992 1.00 0.00 O ATOM 898 CB ILE B 53 -12.251 -9.051 13.658 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.573 -10.404 13.431 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.102 -9.084 14.919 1.00 0.00 C ATOM 901 CD1 ILE B 53 -10.719 -10.855 14.595 1.00 0.00 C ATOM 0 H ILE B 53 -11.377 -9.033 11.320 1.00 0.00 H new ATOM 0 HA ILE B 53 -13.914 -9.405 12.331 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.477 -8.294 13.785 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.338 -11.157 13.239 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -10.952 -10.345 12.537 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.478 -9.352 15.772 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.543 -8.101 15.086 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -13.895 -9.822 14.803 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.270 -11.821 14.364 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -9.932 -10.122 14.774 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.339 -10.947 15.487 1.00 0.00 H new ATOM 913 N ALA B 54 -12.900 -6.259 12.489 1.00 0.00 N ATOM 914 CA ALA B 54 -13.354 -4.886 12.671 1.00 0.00 C ATOM 915 C ALA B 54 -14.627 -4.619 11.874 1.00 0.00 C ATOM 916 O ALA B 54 -15.667 -4.287 12.441 1.00 0.00 O ATOM 917 CB ALA B 54 -12.260 -3.910 12.264 1.00 0.00 C ATOM 0 H ALA B 54 -11.920 -6.347 12.220 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.580 -4.741 13.727 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.613 -2.888 12.405 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.376 -4.077 12.880 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -12.006 -4.065 11.215 1.00 0.00 H new ATOM 923 N ALA B 55 -14.536 -4.765 10.556 1.00 0.00 N ATOM 924 CA ALA B 55 -15.680 -4.541 9.682 1.00 0.00 C ATOM 925 C ALA B 55 -16.899 -5.323 10.160 1.00 0.00 C ATOM 926 O ALA B 55 -18.032 -4.860 10.041 1.00 0.00 O ATOM 927 CB ALA B 55 -15.334 -4.924 8.250 1.00 0.00 C ATOM 0 H ALA B 55 -13.681 -5.038 10.071 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.926 -3.480 9.714 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.198 -4.751 7.608 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.497 -4.317 7.903 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -15.058 -5.978 8.212 1.00 0.00 H new ATOM 933 N GLY B 56 -16.657 -6.513 10.703 1.00 0.00 N ATOM 934 CA GLY B 56 -17.744 -7.341 11.191 1.00 0.00 C ATOM 935 C GLY B 56 -18.557 -6.653 12.270 1.00 0.00 C ATOM 936 O GLY B 56 -19.769 -6.485 12.133 1.00 0.00 O ATOM 0 H GLY B 56 -15.727 -6.918 10.813 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.398 -7.604 10.360 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.338 -8.273 11.585 1.00 0.00 H new ATOM 940 N VAL B 57 -17.889 -6.256 13.349 1.00 0.00 N ATOM 941 CA VAL B 57 -18.557 -5.584 14.457 1.00 0.00 C ATOM 942 C VAL B 57 -19.146 -4.249 14.015 1.00 0.00 C ATOM 943 O VAL B 57 -20.223 -3.855 14.463 1.00 0.00 O ATOM 944 CB VAL B 57 -17.591 -5.343 15.632 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.345 -4.820 16.845 1.00 0.00 C ATOM 946 CG2 VAL B 57 -16.838 -6.620 15.972 1.00 0.00 C ATOM 0 H VAL B 57 -16.886 -6.388 13.479 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.361 -6.241 14.787 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.864 -4.588 15.333 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.646 -4.656 17.665 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.834 -3.880 16.592 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.096 -5.549 17.149 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.160 -6.432 16.804 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.549 -7.398 16.252 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.265 -6.947 15.104 1.00 0.00 H new ATOM 956 N ILE B 58 -18.431 -3.556 13.134 1.00 0.00 N ATOM 957 CA ILE B 58 -18.884 -2.266 12.630 1.00 0.00 C ATOM 958 C ILE B 58 -20.163 -2.412 11.813 1.00 0.00 C ATOM 959 O ILE B 58 -21.122 -1.665 12.002 1.00 0.00 O ATOM 960 CB ILE B 58 -17.806 -1.592 11.760 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.572 -1.262 12.603 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.361 -0.334 11.109 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.419 -0.708 11.795 1.00 0.00 C ATOM 0 H ILE B 58 -17.536 -3.867 12.755 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.082 -1.640 13.500 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.510 -2.285 10.972 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.849 -0.538 13.370 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.243 -2.164 13.120 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.588 0.131 10.498 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.212 -0.595 10.480 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.681 0.365 11.882 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.579 -0.497 12.457 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.116 -1.439 11.045 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.731 0.212 11.300 1.00 0.00 H new ATOM 975 N GLY B 59 -20.170 -3.382 10.903 1.00 0.00 N ATOM 976 CA GLY B 59 -21.337 -3.610 10.072 1.00 0.00 C ATOM 977 C GLY B 59 -22.585 -3.884 10.887 1.00 0.00 C ATOM 978 O GLY B 59 -23.618 -3.246 10.686 1.00 0.00 O ATOM 0 H GLY B 59 -19.388 -4.013 10.727 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.504 -2.738 9.439 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.148 -4.454 9.409 1.00 0.00 H new ATOM 982 N GLY B 60 -22.491 -4.837 11.809 1.00 0.00 N ATOM 983 CA GLY B 60 -23.629 -5.179 12.642 1.00 0.00 C ATOM 984 C GLY B 60 -24.153 -3.990 13.424 1.00 0.00 C ATOM 985 O GLY B 60 -25.364 -3.792 13.529 1.00 0.00 O ATOM 0 H GLY B 60 -21.647 -5.379 11.994 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.427 -5.578 12.016 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.343 -5.969 13.336 1.00 0.00 H new ATOM 989 N LEU B 61 -23.240 -3.198 13.974 1.00 0.00 N ATOM 990 CA LEU B 61 -23.616 -2.022 14.752 1.00 0.00 C ATOM 991 C LEU B 61 -24.245 -0.957 13.860 1.00 0.00 C ATOM 992 O LEU B 61 -25.398 -0.571 14.056 1.00 0.00 O ATOM 993 CB LEU B 61 -22.392 -1.447 15.468 1.00 0.00 C ATOM 994 CG LEU B 61 -21.924 -2.204 16.711 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.661 -1.572 17.276 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.024 -2.235 17.762 1.00 0.00 C ATOM 0 H LEU B 61 -22.234 -3.348 13.896 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.353 -2.328 15.495 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.566 -1.408 14.758 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.614 -0.419 15.755 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.695 -3.230 16.424 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.342 -2.124 18.160 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.872 -1.603 16.525 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.863 -0.536 17.548 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.673 -2.778 18.640 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.285 -1.215 18.046 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.903 -2.734 17.354 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.482 -0.488 12.879 1.00 0.00 N ATOM 1009 CA PHE B 62 -23.965 0.532 11.956 1.00 0.00 C ATOM 1010 C PHE B 62 -25.315 0.135 11.365 1.00 0.00 C ATOM 1011 O PHE B 62 -26.297 0.868 11.487 1.00 0.00 O ATOM 1012 CB PHE B 62 -22.950 0.756 10.833 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.345 1.843 9.875 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.842 3.049 10.343 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.219 1.660 8.508 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.207 4.052 9.464 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.582 2.659 7.624 1.00 0.00 C ATOM 1018 CZ PHE B 62 -24.076 3.857 8.103 1.00 0.00 C ATOM 0 H PHE B 62 -22.526 -0.798 12.703 1.00 0.00 H new ATOM 0 HA PHE B 62 -24.091 1.460 12.513 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -21.983 1.003 11.272 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.820 -0.175 10.280 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.945 3.207 11.406 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.833 0.726 8.128 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.594 4.987 9.841 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.480 2.503 6.560 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.359 4.639 7.415 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.354 -1.028 10.724 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.582 -1.523 10.115 1.00 0.00 C ATOM 1030 C ILE B 63 -27.735 -1.512 11.114 1.00 0.00 C ATOM 1031 O ILE B 63 -28.861 -1.148 10.775 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.404 -2.952 9.570 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.413 -2.957 8.404 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.745 -3.524 9.134 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.915 -2.223 7.181 1.00 0.00 C ATOM 0 H ILE B 63 -24.549 -1.645 10.613 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.815 -0.853 9.287 1.00 0.00 H new ATOM 0 HB ILE B 63 -26.004 -3.581 10.365 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.477 -2.504 8.731 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.189 -3.989 8.132 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.602 -4.535 8.751 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.423 -3.551 9.987 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.171 -2.896 8.351 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.161 -2.268 6.395 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.835 -2.690 6.829 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -26.111 -1.182 7.437 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.445 -1.911 12.347 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.456 -1.945 13.398 1.00 0.00 C ATOM 1049 C LEU B 64 -28.927 -0.537 13.747 1.00 0.00 C ATOM 1050 O LEU B 64 -30.117 -0.303 13.957 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.901 -2.634 14.646 1.00 0.00 C ATOM 1052 CG LEU B 64 -27.994 -4.160 14.668 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.091 -4.735 15.748 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.434 -4.603 14.882 1.00 0.00 C ATOM 0 H LEU B 64 -26.518 -2.216 12.644 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.310 -2.512 13.027 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.854 -2.352 14.757 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.429 -2.245 15.516 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.658 -4.539 13.703 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.171 -5.822 15.748 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.058 -4.447 15.550 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.396 -4.349 16.721 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.482 -5.692 14.895 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.797 -4.213 15.833 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.056 -4.222 14.072 1.00 0.00 H new ATOM 1066 N VAL B 65 -27.984 0.398 13.807 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.302 1.785 14.127 1.00 0.00 C ATOM 1068 C VAL B 65 -29.367 2.336 13.186 1.00 0.00 C ATOM 1069 O VAL B 65 -30.352 2.930 13.627 1.00 0.00 O ATOM 1070 CB VAL B 65 -27.051 2.680 14.050 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.393 4.111 14.436 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -25.946 2.129 14.939 1.00 0.00 C ATOM 0 H VAL B 65 -26.994 0.220 13.638 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.684 1.795 15.148 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.691 2.683 13.021 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.497 4.728 14.376 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -28.149 4.501 13.754 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.779 4.131 15.455 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -25.070 2.774 14.872 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.293 2.094 15.972 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.682 1.124 14.611 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.162 2.136 11.889 1.00 0.00 N ATOM 1083 CA ILE B 66 -30.106 2.612 10.885 1.00 0.00 C ATOM 1084 C ILE B 66 -31.470 1.954 11.057 1.00 0.00 C ATOM 1085 O ILE B 66 -32.483 2.633 11.226 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.594 2.342 9.458 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.216 2.977 9.258 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.583 2.874 8.431 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -27.133 1.976 8.920 1.00 0.00 C ATOM 0 H ILE B 66 -28.351 1.648 11.508 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.204 3.688 11.029 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.500 1.265 9.319 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.278 3.717 8.460 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -27.936 3.511 10.166 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -30.207 2.676 7.427 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.545 2.379 8.562 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.706 3.949 8.567 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.184 2.496 8.792 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -27.043 1.250 9.728 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.391 1.459 7.996 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.490 0.625 11.014 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.730 -0.126 11.168 1.00 0.00 C ATOM 1103 C VAL B 67 -33.472 0.291 12.433 1.00 0.00 C ATOM 1104 O VAL B 67 -34.645 0.657 12.385 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.464 -1.643 11.219 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.775 -2.414 11.253 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.613 -2.074 10.033 1.00 0.00 C ATOM 0 H VAL B 67 -30.661 0.047 10.874 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.347 0.099 10.298 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.914 -1.868 12.133 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.567 -3.483 11.289 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.344 -2.125 12.137 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.354 -2.187 10.358 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.435 -3.148 10.084 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.134 -1.837 9.106 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.660 -1.546 10.058 1.00 0.00 H new