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 74:sc= 1.28 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 -12.095 -9.882 1.655 1.00 0.00 N ATOM 142 CA PRO A 51 -12.506 -10.288 3.002 1.00 0.00 C ATOM 143 C PRO A 51 -13.169 -9.152 3.774 1.00 0.00 C ATOM 144 O PRO A 51 -14.240 -9.325 4.356 1.00 0.00 O ATOM 145 CB PRO A 51 -11.188 -10.689 3.669 1.00 0.00 C ATOM 146 CG PRO A 51 -10.143 -9.919 2.938 1.00 0.00 C ATOM 147 CD PRO A 51 -10.631 -9.804 1.520 1.00 0.00 C ATOM 0 HA PRO A 51 -13.248 -11.086 2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.191 -10.443 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.016 -11.762 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.001 -8.934 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.181 -10.430 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.319 -8.865 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.242 -10.608 0.895 1.00 0.00 H new ATOM 155 N LEU A 52 -12.527 -7.989 3.773 1.00 0.00 N ATOM 156 CA LEU A 52 -13.055 -6.823 4.473 1.00 0.00 C ATOM 157 C LEU A 52 -14.505 -6.562 4.079 1.00 0.00 C ATOM 158 O LEU A 52 -15.418 -6.725 4.889 1.00 0.00 O ATOM 159 CB LEU A 52 -12.201 -5.591 4.168 1.00 0.00 C ATOM 160 CG LEU A 52 -12.399 -4.391 5.095 1.00 0.00 C ATOM 161 CD1 LEU A 52 -12.061 -4.764 6.530 1.00 0.00 C ATOM 162 CD2 LEU A 52 -11.551 -3.215 4.634 1.00 0.00 C ATOM 0 H LEU A 52 -11.640 -7.828 3.295 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.020 -7.025 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.152 -5.883 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.409 -5.274 3.146 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.447 -4.095 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.208 -3.898 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.711 -5.575 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.021 -5.087 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.705 -2.370 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.499 -3.499 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.841 -2.932 3.622 1.00 0.00 H new ATOM 174 N ILE A 53 -14.709 -6.157 2.830 1.00 0.00 N ATOM 175 CA ILE A 53 -16.048 -5.877 2.327 1.00 0.00 C ATOM 176 C ILE A 53 -16.990 -7.046 2.592 1.00 0.00 C ATOM 177 O ILE A 53 -18.101 -6.862 3.090 1.00 0.00 O ATOM 178 CB ILE A 53 -16.032 -5.577 0.817 1.00 0.00 C ATOM 179 CG1 ILE A 53 -15.037 -4.457 0.508 1.00 0.00 C ATOM 180 CG2 ILE A 53 -17.426 -5.203 0.336 1.00 0.00 C ATOM 181 CD1 ILE A 53 -14.994 -4.073 -0.955 1.00 0.00 C ATOM 0 H ILE A 53 -13.964 -6.015 2.148 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.407 -4.996 2.859 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.715 -6.475 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -15.297 -3.578 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -14.041 -4.770 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -17.398 -4.994 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -18.111 -6.030 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -17.770 -4.317 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -14.267 -3.274 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.704 -4.939 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -15.979 -3.729 -1.270 1.00 0.00 H new ATOM 193 N ALA A 54 -16.539 -8.251 2.257 1.00 0.00 N ATOM 194 CA ALA A 54 -17.340 -9.451 2.462 1.00 0.00 C ATOM 195 C ALA A 54 -17.901 -9.501 3.880 1.00 0.00 C ATOM 196 O ALA A 54 -19.115 -9.524 4.076 1.00 0.00 O ATOM 197 CB ALA A 54 -16.510 -10.694 2.177 1.00 0.00 C ATOM 0 H ALA A 54 -15.623 -8.421 1.842 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.180 -9.421 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.121 -11.583 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.162 -10.670 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.652 -10.720 2.848 1.00 0.00 H new ATOM 203 N ALA A 55 -17.008 -9.519 4.864 1.00 0.00 N ATOM 204 CA ALA A 55 -17.415 -9.566 6.263 1.00 0.00 C ATOM 205 C ALA A 55 -18.434 -8.476 6.575 1.00 0.00 C ATOM 206 O ALA A 55 -19.344 -8.675 7.379 1.00 0.00 O ATOM 207 CB ALA A 55 -16.201 -9.430 7.170 1.00 0.00 C ATOM 0 H ALA A 55 -15.999 -9.502 4.718 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.887 -10.531 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.519 -9.467 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.507 -10.247 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.706 -8.479 6.975 1.00 0.00 H new ATOM 213 N GLY A 56 -18.276 -7.322 5.933 1.00 0.00 N ATOM 214 CA GLY A 56 -19.190 -6.218 6.156 1.00 0.00 C ATOM 215 C GLY A 56 -20.626 -6.578 5.828 1.00 0.00 C ATOM 216 O GLY A 56 -21.511 -6.466 6.677 1.00 0.00 O ATOM 0 H GLY A 56 -17.531 -7.133 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.127 -5.903 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.884 -5.368 5.546 1.00 0.00 H new ATOM 220 N VAL A 57 -20.859 -7.010 4.593 1.00 0.00 N ATOM 221 CA VAL A 57 -22.197 -7.387 4.154 1.00 0.00 C ATOM 222 C VAL A 57 -22.724 -8.573 4.954 1.00 0.00 C ATOM 223 O VAL A 57 -23.917 -8.657 5.246 1.00 0.00 O ATOM 224 CB VAL A 57 -22.218 -7.742 2.656 1.00 0.00 C ATOM 225 CG1 VAL A 57 -23.646 -7.943 2.174 1.00 0.00 C ATOM 226 CG2 VAL A 57 -21.518 -6.664 1.843 1.00 0.00 C ATOM 0 H VAL A 57 -20.138 -7.108 3.878 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.840 -6.523 4.323 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.678 -8.678 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.640 -8.193 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.109 -8.755 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.214 -7.026 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.542 -6.932 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.027 -5.711 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.482 -6.576 2.171 1.00 0.00 H new ATOM 236 N ILE A 58 -21.826 -9.487 5.307 1.00 0.00 N ATOM 237 CA ILE A 58 -22.200 -10.668 6.075 1.00 0.00 C ATOM 238 C ILE A 58 -22.666 -10.287 7.476 1.00 0.00 C ATOM 239 O ILE A 58 -23.707 -10.748 7.942 1.00 0.00 O ATOM 240 CB ILE A 58 -21.028 -11.661 6.187 1.00 0.00 C ATOM 241 CG1 ILE A 58 -20.660 -12.207 4.806 1.00 0.00 C ATOM 242 CG2 ILE A 58 -21.386 -12.797 7.134 1.00 0.00 C ATOM 243 CD1 ILE A 58 -19.442 -13.104 4.816 1.00 0.00 C ATOM 0 H ILE A 58 -20.835 -9.432 5.073 1.00 0.00 H new ATOM 0 HA ILE A 58 -23.020 -11.147 5.540 1.00 0.00 H new ATOM 0 HB ILE A 58 -20.163 -11.136 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -21.508 -12.764 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -20.480 -11.371 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -20.548 -13.491 7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -21.604 -12.392 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -22.263 -13.323 6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -19.240 -13.454 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -18.582 -12.546 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -19.625 -13.959 5.466 1.00 0.00 H new ATOM 255 N GLY A 59 -21.887 -9.441 8.143 1.00 0.00 N ATOM 256 CA GLY A 59 -22.236 -9.011 9.484 1.00 0.00 C ATOM 257 C GLY A 59 -23.603 -8.358 9.546 1.00 0.00 C ATOM 258 O GLY A 59 -24.440 -8.731 10.367 1.00 0.00 O ATOM 0 H GLY A 59 -21.020 -9.046 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.216 -9.870 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.484 -8.308 9.844 1.00 0.00 H new ATOM 262 N GLY A 60 -23.829 -7.378 8.676 1.00 0.00 N ATOM 263 CA GLY A 60 -25.104 -6.686 8.653 1.00 0.00 C ATOM 264 C GLY A 60 -26.269 -7.625 8.413 1.00 0.00 C ATOM 265 O GLY A 60 -27.314 -7.508 9.056 1.00 0.00 O ATOM 0 H GLY A 60 -23.152 -7.051 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -25.249 -6.167 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -25.087 -5.926 7.872 1.00 0.00 H new ATOM 269 N LEU A 61 -26.093 -8.559 7.485 1.00 0.00 N ATOM 270 CA LEU A 61 -27.139 -9.522 7.160 1.00 0.00 C ATOM 271 C LEU A 61 -27.376 -10.481 8.322 1.00 0.00 C ATOM 272 O LEU A 61 -28.484 -10.572 8.850 1.00 0.00 O ATOM 273 CB LEU A 61 -26.764 -10.308 5.903 1.00 0.00 C ATOM 274 CG LEU A 61 -26.905 -9.560 4.577 1.00 0.00 C ATOM 275 CD1 LEU A 61 -26.421 -10.425 3.423 1.00 0.00 C ATOM 276 CD2 LEU A 61 -28.348 -9.132 4.357 1.00 0.00 C ATOM 0 H LEU A 61 -25.235 -8.670 6.944 1.00 0.00 H new ATOM 0 HA LEU A 61 -28.061 -8.971 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -25.731 -10.641 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -27.384 -11.203 5.860 1.00 0.00 H new ATOM 0 HG LEU A 61 -26.284 -8.665 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -26.529 -9.877 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -25.372 -10.681 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -27.015 -11.338 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -28.429 -8.601 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -28.990 -10.013 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -28.660 -8.475 5.169 1.00 0.00 H new ATOM 288 N PHE A 62 -26.326 -11.194 8.717 1.00 0.00 N ATOM 289 CA PHE A 62 -26.419 -12.146 9.818 1.00 0.00 C ATOM 290 C PHE A 62 -27.036 -11.493 11.051 1.00 0.00 C ATOM 291 O PHE A 62 -28.026 -11.983 11.595 1.00 0.00 O ATOM 292 CB PHE A 62 -25.034 -12.700 10.159 1.00 0.00 C ATOM 293 CG PHE A 62 -25.054 -13.735 11.248 1.00 0.00 C ATOM 294 CD1 PHE A 62 -26.024 -14.724 11.264 1.00 0.00 C ATOM 295 CD2 PHE A 62 -24.102 -13.718 12.255 1.00 0.00 C ATOM 296 CE1 PHE A 62 -26.044 -15.677 12.265 1.00 0.00 C ATOM 297 CE2 PHE A 62 -24.118 -14.669 13.258 1.00 0.00 C ATOM 298 CZ PHE A 62 -25.090 -15.650 13.263 1.00 0.00 C ATOM 0 H PHE A 62 -25.401 -11.131 8.291 1.00 0.00 H new ATOM 0 HA PHE A 62 -27.063 -12.967 9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -24.595 -13.136 9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -24.387 -11.877 10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -26.773 -14.751 10.486 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -23.339 -12.953 12.256 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -26.806 -16.443 12.267 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -23.371 -14.645 14.037 1.00 0.00 H new ATOM 0 HZ PHE A 62 -25.104 -16.394 14.046 1.00 0.00 H new ATOM 308 N ILE A 63 -26.443 -10.387 11.486 1.00 0.00 N ATOM 309 CA ILE A 63 -26.934 -9.667 12.654 1.00 0.00 C ATOM 310 C ILE A 63 -28.421 -9.356 12.524 1.00 0.00 C ATOM 311 O ILE A 63 -29.185 -9.513 13.477 1.00 0.00 O ATOM 312 CB ILE A 63 -26.164 -8.350 12.869 1.00 0.00 C ATOM 313 CG1 ILE A 63 -24.719 -8.641 13.281 1.00 0.00 C ATOM 314 CG2 ILE A 63 -26.858 -7.496 13.919 1.00 0.00 C ATOM 315 CD1 ILE A 63 -24.596 -9.279 14.647 1.00 0.00 C ATOM 0 H ILE A 63 -25.622 -9.970 11.047 1.00 0.00 H new ATOM 0 HA ILE A 63 -26.775 -10.317 13.514 1.00 0.00 H new ATOM 0 HB ILE A 63 -26.150 -7.796 11.930 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -24.264 -9.298 12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -24.153 -7.710 13.272 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -26.302 -6.569 14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -27.871 -7.265 13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -26.899 -8.041 14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -23.544 -9.456 14.872 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -25.021 -8.614 15.399 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -25.134 -10.227 14.656 1.00 0.00 H new ATOM 327 N LEU A 64 -28.826 -8.918 11.337 1.00 0.00 N ATOM 328 CA LEU A 64 -30.224 -8.587 11.080 1.00 0.00 C ATOM 329 C LEU A 64 -31.096 -9.838 11.119 1.00 0.00 C ATOM 330 O LEU A 64 -32.242 -9.795 11.565 1.00 0.00 O ATOM 331 CB LEU A 64 -30.363 -7.896 9.723 1.00 0.00 C ATOM 332 CG LEU A 64 -29.920 -6.434 9.665 1.00 0.00 C ATOM 333 CD1 LEU A 64 -29.768 -5.978 8.222 1.00 0.00 C ATOM 334 CD2 LEU A 64 -30.911 -5.546 10.404 1.00 0.00 C ATOM 0 H LEU A 64 -28.207 -8.784 10.538 1.00 0.00 H new ATOM 0 HA LEU A 64 -30.561 -7.908 11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.785 -8.459 8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.407 -7.951 9.415 1.00 0.00 H new ATOM 0 HG LEU A 64 -28.950 -6.350 10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.452 -4.935 8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -29.020 -6.594 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -30.723 -6.078 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -30.579 -4.509 10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -31.894 -5.636 9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -30.970 -5.856 11.447 1.00 0.00 H new ATOM 346 N VAL A 65 -30.543 -10.952 10.649 1.00 0.00 N ATOM 347 CA VAL A 65 -31.269 -12.217 10.633 1.00 0.00 C ATOM 348 C VAL A 65 -31.705 -12.618 12.037 1.00 0.00 C ATOM 349 O VAL A 65 -32.852 -13.012 12.253 1.00 0.00 O ATOM 350 CB VAL A 65 -30.414 -13.347 10.030 1.00 0.00 C ATOM 351 CG1 VAL A 65 -31.161 -14.671 10.087 1.00 0.00 C ATOM 352 CG2 VAL A 65 -30.018 -13.010 8.600 1.00 0.00 C ATOM 0 H VAL A 65 -29.596 -11.004 10.275 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.151 -12.068 10.011 1.00 0.00 H new ATOM 0 HB VAL A 65 -29.504 -13.445 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -30.541 -15.457 9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -31.389 -14.916 11.124 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -32.089 -14.590 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -29.414 -13.819 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.915 -12.883 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -29.440 -12.086 8.591 1.00 0.00 H new ATOM 362 N ILE A 66 -30.784 -12.516 12.989 1.00 0.00 N ATOM 363 CA ILE A 66 -31.074 -12.867 14.373 1.00 0.00 C ATOM 364 C ILE A 66 -32.092 -11.909 14.982 1.00 0.00 C ATOM 365 O ILE A 66 -33.146 -12.327 15.460 1.00 0.00 O ATOM 366 CB ILE A 66 -29.798 -12.859 15.236 1.00 0.00 C ATOM 367 CG1 ILE A 66 -28.725 -13.750 14.607 1.00 0.00 C ATOM 368 CG2 ILE A 66 -30.112 -13.318 16.652 1.00 0.00 C ATOM 369 CD1 ILE A 66 -27.459 -13.006 14.243 1.00 0.00 C ATOM 0 H ILE A 66 -29.830 -12.193 12.827 1.00 0.00 H new ATOM 0 HA ILE A 66 -31.489 -13.875 14.362 1.00 0.00 H new ATOM 0 HB ILE A 66 -29.416 -11.839 15.282 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -28.478 -14.553 15.302 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -29.132 -14.218 13.711 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -29.200 -13.307 17.249 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -30.846 -12.647 17.098 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -30.516 -14.330 16.625 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -26.743 -13.700 13.802 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -27.692 -12.220 13.524 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.028 -12.561 15.140 1.00 0.00 H new ATOM 381 N VAL A 67 -31.769 -10.619 14.960 1.00 0.00 N ATOM 382 CA VAL A 67 -32.656 -9.600 15.506 1.00 0.00 C ATOM 383 C VAL A 67 -34.050 -9.699 14.896 1.00 0.00 C ATOM 384 O VAL A 67 -35.047 -9.792 15.610 1.00 0.00 O ATOM 385 CB VAL A 67 -32.101 -8.184 15.264 1.00 0.00 C ATOM 386 CG1 VAL A 67 -32.960 -7.145 15.968 1.00 0.00 C ATOM 387 CG2 VAL A 67 -30.654 -8.093 15.725 1.00 0.00 C ATOM 0 H VAL A 67 -30.899 -10.256 14.570 1.00 0.00 H new ATOM 0 HA VAL A 67 -32.719 -9.779 16.579 1.00 0.00 H new ATOM 0 HB VAL A 67 -32.131 -7.979 14.194 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -32.552 -6.151 15.785 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -33.979 -7.195 15.584 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -32.966 -7.343 17.040 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -30.278 -7.086 15.546 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -30.597 -8.318 16.790 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -30.049 -8.810 15.169 1.00 0.00 H new ATOM 397 N GLY A 68 -34.111 -9.679 13.568 1.00 0.00 N ATOM 398 CA GLY A 68 -35.387 -9.768 12.882 1.00 0.00 C ATOM 399 C GLY A 68 -36.213 -10.951 13.347 1.00 0.00 C ATOM 400 O GLY A 68 -37.346 -10.786 13.803 1.00 0.00 O ATOM 0 H GLY A 68 -33.299 -9.603 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -35.949 -8.849 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -35.214 -9.849 11.809 1.00 0.00 H new ATOM 404 N LEU A 69 -35.648 -12.147 13.231 1.00 0.00 N ATOM 405 CA LEU A 69 -36.341 -13.364 13.641 1.00 0.00 C ATOM 406 C LEU A 69 -36.731 -13.298 15.114 1.00 0.00 C ATOM 407 O LEU A 69 -37.852 -13.646 15.487 1.00 0.00 O ATOM 408 CB LEU A 69 -35.457 -14.587 13.390 1.00 0.00 C ATOM 409 CG LEU A 69 -35.328 -15.035 11.933 1.00 0.00 C ATOM 410 CD1 LEU A 69 -34.420 -16.250 11.826 1.00 0.00 C ATOM 411 CD2 LEU A 69 -36.699 -15.338 11.345 1.00 0.00 C ATOM 0 H LEU A 69 -34.712 -12.301 12.856 1.00 0.00 H new ATOM 0 HA LEU A 69 -37.250 -13.453 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.459 -14.374 13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.851 -15.420 13.972 1.00 0.00 H new ATOM 0 HG LEU A 69 -34.881 -14.222 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -34.340 -16.554 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -33.430 -15.999 12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.838 -17.069 12.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -36.588 -15.655 10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -37.173 -16.134 11.919 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -37.319 -14.442 11.386 1.00 0.00 H new ATOM 423 N THR A 70 -35.799 -12.847 15.948 1.00 0.00 N ATOM 424 CA THR A 70 -36.045 -12.734 17.380 1.00 0.00 C ATOM 425 C THR A 70 -37.329 -11.961 17.658 1.00 0.00 C ATOM 426 O THR A 70 -38.065 -12.275 18.594 1.00 0.00 O ATOM 427 CB THR A 70 -34.874 -12.037 18.098 1.00 0.00 C ATOM 428 OG1 THR A 70 -33.701 -12.855 18.031 1.00 0.00 O ATOM 429 CG2 THR A 70 -35.221 -11.757 19.553 1.00 0.00 C ATOM 0 H THR A 70 -34.867 -12.554 15.656 1.00 0.00 H new ATOM 0 HA THR A 70 -36.145 -13.749 17.764 1.00 0.00 H new ATOM 0 HB THR A 70 -34.683 -11.088 17.597 1.00 0.00 H new ATOM 0 HG1 THR A 70 -33.328 -12.819 17.125 1.00 0.00 H new ATOM 0 HG21 THR A 70 -34.379 -11.265 20.040 1.00 0.00 H new ATOM 0 HG22 THR A 70 -36.097 -11.110 19.600 1.00 0.00 H new ATOM 0 HG23 THR A 70 -35.436 -12.696 20.063 1.00 0.00 H new ATOM 437 N PHE A 71 -37.594 -10.949 16.838 1.00 0.00 N ATOM 438 CA PHE A 71 -38.791 -10.130 16.997 1.00 0.00 C ATOM 439 C PHE A 71 -40.039 -10.906 16.584 1.00 0.00 C ATOM 440 O PHE A 71 -41.019 -10.964 17.325 1.00 0.00 O ATOM 441 CB PHE A 71 -38.673 -8.852 16.165 1.00 0.00 C ATOM 442 CG PHE A 71 -39.880 -7.963 16.258 1.00 0.00 C ATOM 443 CD1 PHE A 71 -40.434 -7.651 17.489 1.00 0.00 C ATOM 444 CD2 PHE A 71 -40.461 -7.439 15.114 1.00 0.00 C ATOM 445 CE1 PHE A 71 -41.545 -6.833 17.578 1.00 0.00 C ATOM 446 CE2 PHE A 71 -41.572 -6.620 15.197 1.00 0.00 C ATOM 447 CZ PHE A 71 -42.114 -6.317 16.430 1.00 0.00 C ATOM 0 H PHE A 71 -36.997 -10.676 16.057 1.00 0.00 H new ATOM 0 HA PHE A 71 -38.882 -9.863 18.050 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -37.795 -8.295 16.492 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -38.509 -9.121 15.121 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -39.993 -8.052 18.390 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -40.041 -7.673 14.147 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -41.967 -6.598 18.544 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -42.015 -6.218 14.298 1.00 0.00 H new ATOM 0 HZ PHE A 71 -42.982 -5.677 16.497 1.00 0.00 H new ATOM 457 N ALA A 72 -39.993 -11.499 15.396 1.00 0.00 N ATOM 458 CA ALA A 72 -41.118 -12.272 14.885 1.00 0.00 C ATOM 459 C ALA A 72 -41.412 -13.472 15.779 1.00 0.00 C ATOM 460 O ALA A 72 -42.551 -13.931 15.866 1.00 0.00 O ATOM 461 CB ALA A 72 -40.841 -12.729 13.460 1.00 0.00 C ATOM 0 H ALA A 72 -39.189 -11.459 14.770 1.00 0.00 H new ATOM 0 HA ALA A 72 -41.998 -11.628 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -41.690 -13.305 13.091 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -40.689 -11.859 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -39.946 -13.351 13.445 1.00 0.00 H new ATOM 467 N VAL A 73 -40.376 -13.978 16.441 1.00 0.00 N ATOM 468 CA VAL A 73 -40.523 -15.125 17.330 1.00 0.00 C ATOM 469 C VAL A 73 -41.105 -14.707 18.675 1.00 0.00 C ATOM 470 O VAL A 73 -42.061 -15.310 19.164 1.00 0.00 O ATOM 471 CB VAL A 73 -39.173 -15.830 17.563 1.00 0.00 C ATOM 472 CG1 VAL A 73 -39.332 -16.972 18.555 1.00 0.00 C ATOM 473 CG2 VAL A 73 -38.601 -16.333 16.247 1.00 0.00 C ATOM 0 H VAL A 73 -39.426 -13.612 16.379 1.00 0.00 H new ATOM 0 HA VAL A 73 -41.208 -15.819 16.842 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.474 -15.108 17.985 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -38.369 -17.458 18.707 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -39.695 -16.581 19.505 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -40.046 -17.697 18.164 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -37.647 -16.828 16.430 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -39.296 -17.040 15.795 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.449 -15.491 15.571 1.00 0.00 H new ATOM 483 N TYR A 74 -40.523 -13.671 19.269 1.00 0.00 N ATOM 484 CA TYR A 74 -40.982 -13.173 20.560 1.00 0.00 C ATOM 485 C TYR A 74 -42.474 -12.854 20.521 1.00 0.00 C ATOM 486 O TYR A 74 -43.212 -13.168 21.455 1.00 0.00 O ATOM 487 CB TYR A 74 -40.193 -11.926 20.960 1.00 0.00 C ATOM 488 CG TYR A 74 -40.346 -11.553 22.417 1.00 0.00 C ATOM 489 CD1 TYR A 74 -41.558 -11.087 22.911 1.00 0.00 C ATOM 490 CD2 TYR A 74 -39.279 -11.665 23.299 1.00 0.00 C ATOM 491 CE1 TYR A 74 -41.703 -10.745 24.242 1.00 0.00 C ATOM 492 CE2 TYR A 74 -39.415 -11.326 24.632 1.00 0.00 C ATOM 493 CZ TYR A 74 -40.628 -10.867 25.098 1.00 0.00 C ATOM 494 OH TYR A 74 -40.767 -10.527 26.424 1.00 0.00 O ATOM 0 H TYR A 74 -39.732 -13.160 18.877 1.00 0.00 H new ATOM 0 HA TYR A 74 -40.814 -13.954 21.302 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -39.137 -12.090 20.745 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -40.517 -11.088 20.343 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -42.401 -10.990 22.243 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -38.327 -12.023 22.937 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -42.652 -10.384 24.610 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -38.575 -11.420 25.305 1.00 0.00 H new ATOM 0 HH TYR A 74 -39.917 -10.672 26.890 1.00 0.00 H new ATOM 504 N VAL A 75 -42.910 -12.228 19.433 1.00 0.00 N ATOM 505 CA VAL A 75 -44.313 -11.868 19.269 1.00 0.00 C ATOM 506 C VAL A 75 -45.192 -13.109 19.165 1.00 0.00 C ATOM 507 O VAL A 75 -46.225 -13.209 19.826 1.00 0.00 O ATOM 508 CB VAL A 75 -44.526 -10.995 18.018 1.00 0.00 C ATOM 509 CG1 VAL A 75 -46.009 -10.741 17.790 1.00 0.00 C ATOM 510 CG2 VAL A 75 -43.766 -9.684 18.148 1.00 0.00 C ATOM 0 H VAL A 75 -42.312 -11.960 18.652 1.00 0.00 H new ATOM 0 HA VAL A 75 -44.598 -11.299 20.154 1.00 0.00 H new ATOM 0 HB VAL A 75 -44.136 -11.530 17.152 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -46.140 -10.123 16.902 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -46.524 -11.692 17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -46.427 -10.227 18.655 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -43.928 -9.080 17.255 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -44.123 -9.141 19.023 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -42.701 -9.890 18.259 1.00 0.00 H new ATOM 520 N ARG A 76 -44.773 -14.055 18.330 1.00 0.00 N ATOM 521 CA ARG A 76 -45.522 -15.291 18.138 1.00 0.00 C ATOM 522 C ARG A 76 -45.791 -15.976 19.474 1.00 0.00 C ATOM 523 O ARG A 76 -46.845 -16.582 19.671 1.00 0.00 O ATOM 524 CB ARG A 76 -44.756 -16.238 17.212 1.00 0.00 C ATOM 525 CG ARG A 76 -44.805 -15.831 15.748 1.00 0.00 C ATOM 526 CD ARG A 76 -43.660 -16.447 14.960 1.00 0.00 C ATOM 527 NE ARG A 76 -43.925 -17.839 14.608 1.00 0.00 N ATOM 528 CZ ARG A 76 -43.150 -18.553 13.799 1.00 0.00 C ATOM 529 NH1 ARG A 76 -42.067 -18.008 13.262 1.00 0.00 N ATOM 530 NH2 ARG A 76 -43.457 -19.815 13.526 1.00 0.00 N ATOM 0 H ARG A 76 -43.919 -13.989 17.776 1.00 0.00 H new ATOM 0 HA ARG A 76 -46.478 -15.040 17.679 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -43.715 -16.283 17.533 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.165 -17.243 17.315 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -45.755 -16.142 15.314 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.759 -14.745 15.669 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -43.493 -15.869 14.051 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -42.744 -16.390 15.547 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.750 -18.288 15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -41.827 -17.039 13.470 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -41.474 -18.558 12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -44.289 -20.238 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -42.861 -20.362 12.905 1.00 0.00 H new ATOM 544 N ARG A 77 -44.832 -15.877 20.388 1.00 0.00 N ATOM 545 CA ARG A 77 -44.965 -16.489 21.705 1.00 0.00 C ATOM 546 C ARG A 77 -46.217 -15.982 22.416 1.00 0.00 C ATOM 547 O ARG A 77 -46.743 -16.640 23.314 1.00 0.00 O ATOM 548 CB ARG A 77 -43.728 -16.194 22.555 1.00 0.00 C ATOM 549 CG ARG A 77 -42.453 -16.821 22.014 1.00 0.00 C ATOM 550 CD ARG A 77 -42.146 -18.141 22.705 1.00 0.00 C ATOM 551 NE ARG A 77 -43.294 -19.042 22.699 1.00 0.00 N ATOM 552 CZ ARG A 77 -43.635 -19.792 21.656 1.00 0.00 C ATOM 553 NH1 ARG A 77 -42.919 -19.747 20.541 1.00 0.00 N ATOM 554 NH2 ARG A 77 -44.694 -20.588 21.727 1.00 0.00 N ATOM 0 H ARG A 77 -43.954 -15.379 20.241 1.00 0.00 H new ATOM 0 HA ARG A 77 -45.056 -17.567 21.570 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -43.592 -15.115 22.621 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -43.899 -16.556 23.569 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -42.554 -16.985 20.941 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -41.620 -16.133 22.154 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -41.304 -18.623 22.208 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -41.841 -17.949 23.734 1.00 0.00 H new ATOM 0 HE ARG A 77 -43.866 -19.099 23.541 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -42.104 -19.136 20.482 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -43.183 -20.324 19.742 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -45.248 -20.625 22.583 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -44.954 -21.163 20.926 1.00 0.00 H new ATOM 568 N LYS A 78 -46.688 -14.809 22.008 1.00 0.00 N ATOM 569 CA LYS A 78 -47.878 -14.213 22.604 1.00 0.00 C ATOM 570 C LYS A 78 -49.146 -14.800 21.991 1.00 0.00 C ATOM 571 O LYS A 78 -50.160 -14.958 22.671 1.00 0.00 O ATOM 572 CB LYS A 78 -47.863 -12.695 22.414 1.00 0.00 C ATOM 573 CG LYS A 78 -47.826 -11.919 23.719 1.00 0.00 C ATOM 574 CD LYS A 78 -47.365 -10.487 23.503 1.00 0.00 C ATOM 575 CE LYS A 78 -46.189 -10.139 24.403 1.00 0.00 C ATOM 576 NZ LYS A 78 -46.637 -9.654 25.738 1.00 0.00 N ATOM 0 H LYS A 78 -46.264 -14.252 21.267 1.00 0.00 H new ATOM 0 HA LYS A 78 -47.872 -14.440 23.670 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -46.996 -12.421 21.813 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -48.748 -12.399 21.850 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -48.818 -11.919 24.171 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -47.156 -12.416 24.420 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -47.080 -10.349 22.460 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -48.191 -9.804 23.701 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -45.556 -11.017 24.529 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -45.579 -9.373 23.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -45.807 -9.427 26.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -47.220 -8.801 25.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -47.197 -10.394 26.206 1.00 0.00 H new ATOM 875 N LEU B 52 -10.844 -7.831 9.059 1.00 0.00 N ATOM 876 CA LEU B 52 -11.961 -8.760 8.924 1.00 0.00 C ATOM 877 C LEU B 52 -12.926 -8.625 10.098 1.00 0.00 C ATOM 878 O LEU B 52 -14.059 -8.170 9.934 1.00 0.00 O ATOM 879 CB LEU B 52 -11.447 -10.198 8.834 1.00 0.00 C ATOM 880 CG LEU B 52 -12.423 -11.224 8.257 1.00 0.00 C ATOM 881 CD1 LEU B 52 -12.812 -10.851 6.835 1.00 0.00 C ATOM 882 CD2 LEU B 52 -11.815 -12.619 8.296 1.00 0.00 C ATOM 0 HA LEU B 52 -12.497 -8.515 8.007 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -10.544 -10.202 8.224 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -11.158 -10.523 9.834 1.00 0.00 H new ATOM 0 HG LEU B 52 -13.324 -11.224 8.870 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -13.507 -11.593 6.441 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -13.288 -9.871 6.833 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.920 -10.822 6.209 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -12.523 -13.336 7.882 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -10.898 -12.633 7.707 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.588 -12.888 9.328 1.00 0.00 H new ATOM 894 N ILE B 53 -12.470 -9.022 11.280 1.00 0.00 N ATOM 895 CA ILE B 53 -13.292 -8.943 12.482 1.00 0.00 C ATOM 896 C ILE B 53 -13.854 -7.538 12.671 1.00 0.00 C ATOM 897 O ILE B 53 -15.046 -7.365 12.926 1.00 0.00 O ATOM 898 CB ILE B 53 -12.492 -9.337 13.738 1.00 0.00 C ATOM 899 CG1 ILE B 53 -11.850 -10.713 13.549 1.00 0.00 C ATOM 900 CG2 ILE B 53 -13.394 -9.330 14.963 1.00 0.00 C ATOM 901 CD1 ILE B 53 -11.076 -11.189 14.759 1.00 0.00 C ATOM 0 H ILE B 53 -11.536 -9.402 11.432 1.00 0.00 H new ATOM 0 HA ILE B 53 -14.114 -9.646 12.350 1.00 0.00 H new ATOM 0 HB ILE B 53 -11.699 -8.605 13.891 1.00 0.00 H new ATOM 0 HG12 ILE B 53 -12.629 -11.440 13.317 1.00 0.00 H new ATOM 0 HG13 ILE B 53 -11.180 -10.678 12.690 1.00 0.00 H new ATOM 0 HG21 ILE B 53 -12.815 -9.610 15.843 1.00 0.00 H new ATOM 0 HG22 ILE B 53 -13.808 -8.332 15.104 1.00 0.00 H new ATOM 0 HG23 ILE B 53 -14.206 -10.043 14.821 1.00 0.00 H new ATOM 0 HD11 ILE B 53 -10.648 -12.170 14.554 1.00 0.00 H new ATOM 0 HD12 ILE B 53 -10.275 -10.483 14.980 1.00 0.00 H new ATOM 0 HD13 ILE B 53 -11.746 -11.257 15.616 1.00 0.00 H new ATOM 913 N ALA B 54 -12.989 -6.538 12.543 1.00 0.00 N ATOM 914 CA ALA B 54 -13.400 -5.148 12.696 1.00 0.00 C ATOM 915 C ALA B 54 -14.632 -4.843 11.849 1.00 0.00 C ATOM 916 O ALA B 54 -15.676 -4.456 12.373 1.00 0.00 O ATOM 917 CB ALA B 54 -12.257 -4.215 12.322 1.00 0.00 C ATOM 0 H ALA B 54 -11.999 -6.664 12.334 1.00 0.00 H new ATOM 0 HA ALA B 54 -13.660 -4.985 13.742 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -12.578 -3.180 12.441 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -11.403 -4.407 12.972 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -11.970 -4.389 11.285 1.00 0.00 H new ATOM 923 N ALA B 55 -14.502 -5.020 10.539 1.00 0.00 N ATOM 924 CA ALA B 55 -15.605 -4.766 9.620 1.00 0.00 C ATOM 925 C ALA B 55 -16.872 -5.482 10.073 1.00 0.00 C ATOM 926 O ALA B 55 -17.977 -4.961 9.929 1.00 0.00 O ATOM 927 CB ALA B 55 -15.228 -5.196 8.210 1.00 0.00 C ATOM 0 H ALA B 55 -13.644 -5.338 10.090 1.00 0.00 H new ATOM 0 HA ALA B 55 -15.805 -3.695 9.619 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -16.061 -5.000 7.535 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -14.354 -4.635 7.880 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -14.998 -6.262 8.204 1.00 0.00 H new ATOM 933 N GLY B 56 -16.705 -6.683 10.620 1.00 0.00 N ATOM 934 CA GLY B 56 -17.845 -7.452 11.084 1.00 0.00 C ATOM 935 C GLY B 56 -18.654 -6.714 12.133 1.00 0.00 C ATOM 936 O GLY B 56 -19.853 -6.498 11.963 1.00 0.00 O ATOM 0 H GLY B 56 -15.801 -7.137 10.750 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -18.487 -7.691 10.236 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -17.497 -8.399 11.498 1.00 0.00 H new ATOM 940 N VAL B 57 -17.996 -6.328 13.221 1.00 0.00 N ATOM 941 CA VAL B 57 -18.662 -5.611 14.302 1.00 0.00 C ATOM 942 C VAL B 57 -19.197 -4.267 13.822 1.00 0.00 C ATOM 943 O VAL B 57 -20.263 -3.823 14.249 1.00 0.00 O ATOM 944 CB VAL B 57 -17.710 -5.378 15.491 1.00 0.00 C ATOM 945 CG1 VAL B 57 -18.469 -4.805 16.678 1.00 0.00 C ATOM 946 CG2 VAL B 57 -17.006 -6.671 15.871 1.00 0.00 C ATOM 0 H VAL B 57 -17.003 -6.500 13.377 1.00 0.00 H new ATOM 0 HA VAL B 57 -19.494 -6.234 14.629 1.00 0.00 H new ATOM 0 HB VAL B 57 -16.952 -4.654 15.191 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -17.781 -4.647 17.508 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -18.922 -3.854 16.396 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -19.250 -5.502 16.982 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -16.338 -6.488 16.712 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -17.747 -7.419 16.152 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -16.428 -7.034 15.021 1.00 0.00 H new ATOM 956 N ILE B 58 -18.450 -3.623 12.932 1.00 0.00 N ATOM 957 CA ILE B 58 -18.850 -2.329 12.392 1.00 0.00 C ATOM 958 C ILE B 58 -20.129 -2.449 11.570 1.00 0.00 C ATOM 959 O ILE B 58 -21.056 -1.655 11.726 1.00 0.00 O ATOM 960 CB ILE B 58 -17.743 -1.719 11.512 1.00 0.00 C ATOM 961 CG1 ILE B 58 -16.508 -1.401 12.357 1.00 0.00 C ATOM 962 CG2 ILE B 58 -18.251 -0.467 10.814 1.00 0.00 C ATOM 963 CD1 ILE B 58 -15.330 -0.910 11.545 1.00 0.00 C ATOM 0 H ILE B 58 -17.564 -3.976 12.569 1.00 0.00 H new ATOM 0 HA ILE B 58 -19.028 -1.673 13.244 1.00 0.00 H new ATOM 0 HB ILE B 58 -17.462 -2.446 10.751 1.00 0.00 H new ATOM 0 HG12 ILE B 58 -16.769 -0.645 13.097 1.00 0.00 H new ATOM 0 HG13 ILE B 58 -16.213 -2.295 12.906 1.00 0.00 H new ATOM 0 HG21 ILE B 58 -17.457 -0.048 10.196 1.00 0.00 H new ATOM 0 HG22 ILE B 58 -19.104 -0.722 10.185 1.00 0.00 H new ATOM 0 HG23 ILE B 58 -18.556 0.267 11.560 1.00 0.00 H new ATOM 0 HD11 ILE B 58 -14.491 -0.704 12.209 1.00 0.00 H new ATOM 0 HD12 ILE B 58 -15.042 -1.674 10.823 1.00 0.00 H new ATOM 0 HD13 ILE B 58 -15.607 0.003 11.017 1.00 0.00 H new ATOM 975 N GLY B 59 -20.172 -3.448 10.694 1.00 0.00 N ATOM 976 CA GLY B 59 -21.343 -3.655 9.861 1.00 0.00 C ATOM 977 C GLY B 59 -22.602 -3.874 10.676 1.00 0.00 C ATOM 978 O GLY B 59 -23.619 -3.219 10.448 1.00 0.00 O ATOM 0 H GLY B 59 -19.417 -4.118 10.546 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -21.480 -2.791 9.211 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -21.178 -4.517 9.215 1.00 0.00 H new ATOM 982 N GLY B 60 -22.536 -4.800 11.628 1.00 0.00 N ATOM 983 CA GLY B 60 -23.688 -5.088 12.463 1.00 0.00 C ATOM 984 C GLY B 60 -24.180 -3.867 13.214 1.00 0.00 C ATOM 985 O GLY B 60 -25.386 -3.641 13.323 1.00 0.00 O ATOM 0 H GLY B 60 -21.706 -5.355 11.836 1.00 0.00 H new ATOM 0 HA2 GLY B 60 -24.494 -5.478 11.842 1.00 0.00 H new ATOM 0 HA3 GLY B 60 -23.429 -5.870 13.177 1.00 0.00 H new ATOM 989 N LEU B 61 -23.246 -3.078 13.734 1.00 0.00 N ATOM 990 CA LEU B 61 -23.592 -1.874 14.480 1.00 0.00 C ATOM 991 C LEU B 61 -24.187 -0.814 13.559 1.00 0.00 C ATOM 992 O LEU B 61 -25.331 -0.394 13.736 1.00 0.00 O ATOM 993 CB LEU B 61 -22.355 -1.315 15.186 1.00 0.00 C ATOM 994 CG LEU B 61 -21.930 -2.035 16.467 1.00 0.00 C ATOM 995 CD1 LEU B 61 -20.647 -1.434 17.017 1.00 0.00 C ATOM 996 CD2 LEU B 61 -23.039 -1.973 17.507 1.00 0.00 C ATOM 0 H LEU B 61 -22.244 -3.251 13.653 1.00 0.00 H new ATOM 0 HA LEU B 61 -24.340 -2.142 15.226 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -21.520 -1.339 14.486 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -22.540 -0.268 15.426 1.00 0.00 H new ATOM 0 HG LEU B 61 -21.742 -3.082 16.227 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -20.361 -1.959 17.928 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -19.853 -1.532 16.277 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -20.806 -0.379 17.241 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -22.719 -2.490 18.411 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -23.259 -0.932 17.743 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -23.935 -2.452 17.113 1.00 0.00 H new ATOM 1008 N PHE B 62 -23.405 -0.386 12.574 1.00 0.00 N ATOM 1009 CA PHE B 62 -23.855 0.623 11.623 1.00 0.00 C ATOM 1010 C PHE B 62 -25.204 0.241 11.021 1.00 0.00 C ATOM 1011 O PHE B 62 -26.168 1.002 11.098 1.00 0.00 O ATOM 1012 CB PHE B 62 -22.820 0.804 10.511 1.00 0.00 C ATOM 1013 CG PHE B 62 -23.184 1.875 9.522 1.00 0.00 C ATOM 1014 CD1 PHE B 62 -23.680 3.095 9.953 1.00 0.00 C ATOM 1015 CD2 PHE B 62 -23.029 1.662 8.162 1.00 0.00 C ATOM 1016 CE1 PHE B 62 -24.016 4.081 9.045 1.00 0.00 C ATOM 1017 CE2 PHE B 62 -23.363 2.644 7.249 1.00 0.00 C ATOM 1018 CZ PHE B 62 -23.856 3.856 7.691 1.00 0.00 C ATOM 0 H PHE B 62 -22.456 -0.723 12.413 1.00 0.00 H new ATOM 0 HA PHE B 62 -23.971 1.565 12.159 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -21.856 1.046 10.959 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -22.697 -0.141 9.982 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -23.805 3.277 11.010 1.00 0.00 H new ATOM 0 HD2 PHE B 62 -22.642 0.717 7.811 1.00 0.00 H new ATOM 0 HE1 PHE B 62 -24.403 5.027 9.393 1.00 0.00 H new ATOM 0 HE2 PHE B 62 -23.239 2.464 6.191 1.00 0.00 H new ATOM 0 HZ PHE B 62 -24.116 4.626 6.980 1.00 0.00 H new ATOM 1028 N ILE B 63 -25.262 -0.944 10.421 1.00 0.00 N ATOM 1029 CA ILE B 63 -26.492 -1.428 9.806 1.00 0.00 C ATOM 1030 C ILE B 63 -27.656 -1.376 10.790 1.00 0.00 C ATOM 1031 O ILE B 63 -28.771 -0.996 10.430 1.00 0.00 O ATOM 1032 CB ILE B 63 -26.333 -2.870 9.291 1.00 0.00 C ATOM 1033 CG1 ILE B 63 -25.334 -2.915 8.133 1.00 0.00 C ATOM 1034 CG2 ILE B 63 -27.680 -3.429 8.857 1.00 0.00 C ATOM 1035 CD1 ILE B 63 -25.814 -2.194 6.893 1.00 0.00 C ATOM 0 H ILE B 63 -24.472 -1.586 10.348 1.00 0.00 H new ATOM 0 HA ILE B 63 -26.704 -0.771 8.962 1.00 0.00 H new ATOM 0 HB ILE B 63 -25.948 -3.489 10.102 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -24.392 -2.473 8.459 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -25.128 -3.955 7.882 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -27.551 -4.449 8.495 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -28.365 -3.428 9.705 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -28.091 -2.810 8.059 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -25.056 -2.267 6.113 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -26.740 -2.650 6.542 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -25.993 -1.145 7.128 1.00 0.00 H new ATOM 1047 N LEU B 64 -27.389 -1.759 12.034 1.00 0.00 N ATOM 1048 CA LEU B 64 -28.414 -1.755 13.072 1.00 0.00 C ATOM 1049 C LEU B 64 -28.834 -0.330 13.417 1.00 0.00 C ATOM 1050 O LEU B 64 -30.004 -0.066 13.694 1.00 0.00 O ATOM 1051 CB LEU B 64 -27.901 -2.466 14.325 1.00 0.00 C ATOM 1052 CG LEU B 64 -28.065 -3.986 14.350 1.00 0.00 C ATOM 1053 CD1 LEU B 64 -27.223 -4.596 15.460 1.00 0.00 C ATOM 1054 CD2 LEU B 64 -29.529 -4.362 14.520 1.00 0.00 C ATOM 0 H LEU B 64 -26.472 -2.076 12.348 1.00 0.00 H new ATOM 0 HA LEU B 64 -29.285 -2.288 12.691 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -26.843 -2.233 14.443 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -28.417 -2.051 15.191 1.00 0.00 H new ATOM 0 HG LEU B 64 -27.717 -4.385 13.397 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -27.353 -5.678 15.462 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -26.173 -4.357 15.293 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -27.539 -4.191 16.421 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -29.626 -5.448 14.536 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -29.904 -3.951 15.457 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -30.107 -3.958 13.689 1.00 0.00 H new ATOM 1066 N VAL B 65 -27.871 0.586 13.397 1.00 0.00 N ATOM 1067 CA VAL B 65 -28.140 1.986 13.705 1.00 0.00 C ATOM 1068 C VAL B 65 -29.185 2.565 12.757 1.00 0.00 C ATOM 1069 O VAL B 65 -30.130 3.227 13.189 1.00 0.00 O ATOM 1070 CB VAL B 65 -26.859 2.836 13.621 1.00 0.00 C ATOM 1071 CG1 VAL B 65 -27.172 4.301 13.882 1.00 0.00 C ATOM 1072 CG2 VAL B 65 -25.814 2.323 14.600 1.00 0.00 C ATOM 0 H VAL B 65 -26.897 0.384 13.171 1.00 0.00 H new ATOM 0 HA VAL B 65 -28.521 2.018 14.726 1.00 0.00 H new ATOM 0 HB VAL B 65 -26.453 2.750 12.613 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -26.254 4.886 13.818 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -27.883 4.659 13.138 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -27.603 4.409 14.877 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -24.915 2.935 14.527 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -26.208 2.377 15.615 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -25.568 1.288 14.361 1.00 0.00 H new ATOM 1082 N ILE B 66 -29.009 2.312 11.465 1.00 0.00 N ATOM 1083 CA ILE B 66 -29.937 2.808 10.457 1.00 0.00 C ATOM 1084 C ILE B 66 -31.314 2.173 10.618 1.00 0.00 C ATOM 1085 O ILE B 66 -32.317 2.870 10.771 1.00 0.00 O ATOM 1086 CB ILE B 66 -29.420 2.533 9.032 1.00 0.00 C ATOM 1087 CG1 ILE B 66 -28.012 3.103 8.858 1.00 0.00 C ATOM 1088 CG2 ILE B 66 -30.369 3.125 8.001 1.00 0.00 C ATOM 1089 CD1 ILE B 66 -26.974 2.057 8.515 1.00 0.00 C ATOM 0 H ILE B 66 -28.232 1.766 11.092 1.00 0.00 H new ATOM 0 HA ILE B 66 -30.017 3.885 10.604 1.00 0.00 H new ATOM 0 HB ILE B 66 -29.376 1.455 8.879 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -28.029 3.858 8.072 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -27.717 3.608 9.778 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -29.990 2.923 6.999 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -31.355 2.675 8.114 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -30.442 4.202 8.150 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -26.000 2.533 8.407 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -26.928 1.315 9.312 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -27.245 1.568 7.579 1.00 0.00 H new ATOM 1101 N VAL B 67 -31.355 0.844 10.583 1.00 0.00 N ATOM 1102 CA VAL B 67 -32.608 0.114 10.728 1.00 0.00 C ATOM 1103 C VAL B 67 -33.338 0.522 12.003 1.00 0.00 C ATOM 1104 O VAL B 67 -34.509 0.895 11.968 1.00 0.00 O ATOM 1105 CB VAL B 67 -32.372 -1.408 10.750 1.00 0.00 C ATOM 1106 CG1 VAL B 67 -33.697 -2.154 10.774 1.00 0.00 C ATOM 1107 CG2 VAL B 67 -31.532 -1.833 9.555 1.00 0.00 C ATOM 0 H VAL B 67 -30.534 0.252 10.455 1.00 0.00 H new ATOM 0 HA VAL B 67 -33.223 0.367 9.864 1.00 0.00 H new ATOM 0 HB VAL B 67 -31.825 -1.661 11.658 1.00 0.00 H new ATOM 0 HG11 VAL B 67 -33.510 -3.228 10.789 1.00 0.00 H new ATOM 0 HG12 VAL B 67 -34.258 -1.871 11.665 1.00 0.00 H new ATOM 0 HG13 VAL B 67 -34.274 -1.899 9.885 1.00 0.00 H new ATOM 0 HG21 VAL B 67 -31.375 -2.911 9.586 1.00 0.00 H new ATOM 0 HG22 VAL B 67 -32.050 -1.568 8.633 1.00 0.00 H new ATOM 0 HG23 VAL B 67 -30.568 -1.325 9.588 1.00 0.00 H new