USER MOD reduce.3.24.130724 H: found=0, std=0, add=299, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 301 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 21 CYS SG : rot 77:sc= 0.43 USER MOD Single : A 25 SER OG : rot 81:sc= 1.2 USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.672 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.44 USER MOD Single : B 125 SER OG : rot 80:sc= 0.715 USER MOD Single : B 126 THR OG1 : rot 67:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.646 3.070 -12.453 1.00 0.00 N ATOM 172 CA VAL A 12 -14.912 1.722 -11.965 1.00 0.00 C ATOM 173 C VAL A 12 -16.037 1.722 -10.937 1.00 0.00 C ATOM 174 O VAL A 12 -17.023 1.001 -11.080 1.00 0.00 O ATOM 175 CB VAL A 12 -13.655 1.096 -11.335 1.00 0.00 C ATOM 176 CG1 VAL A 12 -13.960 -0.299 -10.810 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.516 1.057 -12.344 1.00 0.00 C ATOM 0 HA VAL A 12 -15.212 1.126 -12.827 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.344 1.716 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.060 -0.726 -10.368 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.743 -0.240 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.296 -0.931 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.635 0.611 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.814 0.461 -13.206 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.282 2.071 -12.668 1.00 0.00 H new ATOM 187 N ALA A 13 -15.882 2.537 -9.898 1.00 0.00 N ATOM 188 CA ALA A 13 -16.886 2.633 -8.846 1.00 0.00 C ATOM 189 C ALA A 13 -18.212 3.148 -9.397 1.00 0.00 C ATOM 190 O ALA A 13 -19.282 2.753 -8.936 1.00 0.00 O ATOM 191 CB ALA A 13 -16.392 3.535 -7.725 1.00 0.00 C ATOM 0 H ALA A 13 -15.071 3.140 -9.763 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.053 1.633 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.152 3.597 -6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.475 3.123 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.195 4.532 -8.120 1.00 0.00 H new ATOM 197 N VAL A 14 -18.132 4.033 -10.386 1.00 0.00 N ATOM 198 CA VAL A 14 -19.325 4.603 -11.000 1.00 0.00 C ATOM 199 C VAL A 14 -20.111 3.541 -11.763 1.00 0.00 C ATOM 200 O VAL A 14 -21.291 3.318 -11.500 1.00 0.00 O ATOM 201 CB VAL A 14 -18.968 5.751 -11.961 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.224 6.319 -12.606 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.198 6.840 -11.228 1.00 0.00 C ATOM 0 H VAL A 14 -17.253 4.371 -10.779 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.941 4.996 -10.191 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.330 5.354 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.951 7.129 -13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.732 5.534 -13.167 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.890 6.701 -11.832 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.954 7.644 -11.923 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.810 7.235 -10.417 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.278 6.422 -10.819 1.00 0.00 H new ATOM 213 N GLY A 15 -19.445 2.889 -12.712 1.00 0.00 N ATOM 214 CA GLY A 15 -20.096 1.858 -13.499 1.00 0.00 C ATOM 215 C GLY A 15 -20.625 0.723 -12.645 1.00 0.00 C ATOM 216 O GLY A 15 -21.796 0.355 -12.745 1.00 0.00 O ATOM 0 H GLY A 15 -18.467 3.056 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.919 2.300 -14.061 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.389 1.461 -14.228 1.00 0.00 H new ATOM 220 N LEU A 16 -19.761 0.166 -11.802 1.00 0.00 N ATOM 221 CA LEU A 16 -20.148 -0.935 -10.927 1.00 0.00 C ATOM 222 C LEU A 16 -21.403 -0.586 -10.135 1.00 0.00 C ATOM 223 O LEU A 16 -22.381 -1.334 -10.141 1.00 0.00 O ATOM 224 CB LEU A 16 -19.005 -1.277 -9.970 1.00 0.00 C ATOM 225 CG LEU A 16 -17.975 -2.283 -10.486 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.709 -2.228 -9.645 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.557 -3.689 -10.487 1.00 0.00 C ATOM 0 H LEU A 16 -18.789 0.459 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.364 -1.803 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.485 -0.354 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.435 -1.668 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.717 -2.018 -11.511 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.987 -2.950 -10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.282 -1.227 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.950 -2.468 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.810 -4.392 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.843 -3.965 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.435 -3.719 -11.132 1.00 0.00 H new ATOM 239 N ALA A 17 -21.370 0.556 -9.457 1.00 0.00 N ATOM 240 CA ALA A 17 -22.507 1.006 -8.662 1.00 0.00 C ATOM 241 C ALA A 17 -23.791 0.992 -9.486 1.00 0.00 C ATOM 242 O ALA A 17 -24.803 0.429 -9.068 1.00 0.00 O ATOM 243 CB ALA A 17 -22.247 2.400 -8.111 1.00 0.00 C ATOM 0 H ALA A 17 -20.569 1.187 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.633 0.315 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.104 2.723 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.357 2.382 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.093 3.095 -8.937 1.00 0.00 H new ATOM 249 N VAL A 18 -23.744 1.618 -10.658 1.00 0.00 N ATOM 250 CA VAL A 18 -24.903 1.677 -11.540 1.00 0.00 C ATOM 251 C VAL A 18 -25.492 0.289 -11.769 1.00 0.00 C ATOM 252 O VAL A 18 -26.701 0.090 -11.650 1.00 0.00 O ATOM 253 CB VAL A 18 -24.541 2.299 -12.902 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.757 2.333 -13.814 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.966 3.695 -12.714 1.00 0.00 C ATOM 0 H VAL A 18 -22.915 2.091 -11.018 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.644 2.306 -11.046 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.780 1.678 -13.375 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.482 2.776 -14.771 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -26.120 1.318 -13.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.543 2.930 -13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.716 4.119 -13.686 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.703 4.329 -12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.067 3.639 -12.101 1.00 0.00 H new ATOM 265 N PHE A 19 -24.629 -0.667 -12.095 1.00 0.00 N ATOM 266 CA PHE A 19 -25.064 -2.037 -12.340 1.00 0.00 C ATOM 267 C PHE A 19 -25.780 -2.608 -11.120 1.00 0.00 C ATOM 268 O PHE A 19 -26.906 -3.092 -11.218 1.00 0.00 O ATOM 269 CB PHE A 19 -23.865 -2.918 -12.701 1.00 0.00 C ATOM 270 CG PHE A 19 -24.174 -3.953 -13.744 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.202 -3.614 -15.087 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.436 -5.265 -13.382 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.487 -4.564 -16.050 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.721 -6.219 -14.341 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.745 -5.868 -15.677 1.00 0.00 C ATOM 0 H PHE A 19 -23.625 -0.519 -12.196 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.763 -2.025 -13.176 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -23.053 -2.284 -13.059 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.507 -3.417 -11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.999 -2.596 -15.385 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.417 -5.545 -12.339 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.508 -4.286 -17.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.925 -7.238 -14.046 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.965 -6.612 -16.428 1.00 0.00 H new ATOM 285 N ALA A 20 -25.117 -2.547 -9.969 1.00 0.00 N ATOM 286 CA ALA A 20 -25.689 -3.054 -8.729 1.00 0.00 C ATOM 287 C ALA A 20 -27.001 -2.350 -8.400 1.00 0.00 C ATOM 288 O ALA A 20 -27.947 -2.973 -7.916 1.00 0.00 O ATOM 289 CB ALA A 20 -24.699 -2.892 -7.585 1.00 0.00 C ATOM 0 H ALA A 20 -24.182 -2.151 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.901 -4.115 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.140 -3.275 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.789 -3.448 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.458 -1.837 -7.459 1.00 0.00 H new ATOM 295 N CYS A 21 -27.051 -1.049 -8.666 1.00 0.00 N ATOM 296 CA CYS A 21 -28.247 -0.260 -8.397 1.00 0.00 C ATOM 297 C CYS A 21 -29.447 -0.812 -9.160 1.00 0.00 C ATOM 298 O CYS A 21 -30.553 -0.893 -8.625 1.00 0.00 O ATOM 299 CB CYS A 21 -28.014 1.203 -8.779 1.00 0.00 C ATOM 300 SG CYS A 21 -26.945 2.103 -7.632 1.00 0.00 S ATOM 0 H CYS A 21 -26.277 -0.519 -9.067 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.459 -0.321 -7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.574 1.242 -9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.977 1.710 -8.836 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.706 1.769 -7.841 1.00 0.00 H new ATOM 306 N LEU A 22 -29.220 -1.191 -10.414 1.00 0.00 N ATOM 307 CA LEU A 22 -30.283 -1.734 -11.252 1.00 0.00 C ATOM 308 C LEU A 22 -30.752 -3.087 -10.727 1.00 0.00 C ATOM 309 O LEU A 22 -31.950 -3.371 -10.695 1.00 0.00 O ATOM 310 CB LEU A 22 -29.798 -1.875 -12.696 1.00 0.00 C ATOM 311 CG LEU A 22 -30.046 -0.673 -13.608 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.042 -0.654 -14.751 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.469 -0.697 -14.146 1.00 0.00 C ATOM 0 H LEU A 22 -28.310 -1.132 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.125 -1.042 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.727 -2.079 -12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.282 -2.746 -13.137 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.916 0.237 -13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.234 0.208 -15.390 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.032 -0.589 -14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.140 -1.568 -15.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.628 0.166 -14.793 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -31.627 -1.612 -14.716 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -32.173 -0.661 -13.315 1.00 0.00 H new ATOM 325 N PHE A 23 -29.801 -3.918 -10.314 1.00 0.00 N ATOM 326 CA PHE A 23 -30.117 -5.242 -9.788 1.00 0.00 C ATOM 327 C PHE A 23 -31.069 -5.142 -8.600 1.00 0.00 C ATOM 328 O PHE A 23 -32.065 -5.862 -8.526 1.00 0.00 O ATOM 329 CB PHE A 23 -28.836 -5.967 -9.372 1.00 0.00 C ATOM 330 CG PHE A 23 -29.070 -7.375 -8.903 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.125 -8.120 -9.406 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.236 -7.953 -7.960 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.343 -9.415 -8.975 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.449 -9.249 -7.527 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.503 -9.980 -8.036 1.00 0.00 C ATOM 0 H PHE A 23 -28.805 -3.699 -10.333 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.608 -5.812 -10.577 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.147 -5.983 -10.216 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.351 -5.403 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.784 -7.684 -10.143 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.410 -7.385 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.170 -9.985 -9.372 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.791 -9.688 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.671 -10.993 -7.700 1.00 0.00 H new ATOM 345 N LEU A 24 -30.754 -4.245 -7.673 1.00 0.00 N ATOM 346 CA LEU A 24 -31.579 -4.050 -6.485 1.00 0.00 C ATOM 347 C LEU A 24 -32.896 -3.368 -6.844 1.00 0.00 C ATOM 348 O LEU A 24 -33.904 -3.542 -6.158 1.00 0.00 O ATOM 349 CB LEU A 24 -30.827 -3.216 -5.448 1.00 0.00 C ATOM 350 CG LEU A 24 -29.820 -3.972 -4.580 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.570 -3.134 -4.359 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.447 -4.360 -3.249 1.00 0.00 C ATOM 0 H LEU A 24 -29.934 -3.641 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.801 -5.030 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.300 -2.416 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.558 -2.743 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.533 -4.884 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.865 -3.688 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.108 -2.908 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.839 -2.204 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.716 -4.897 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.764 -3.461 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.311 -5.000 -3.427 1.00 0.00 H new ATOM 364 N SER A 25 -32.881 -2.595 -7.925 1.00 0.00 N ATOM 365 CA SER A 25 -34.074 -1.886 -8.374 1.00 0.00 C ATOM 366 C SER A 25 -35.052 -2.843 -9.048 1.00 0.00 C ATOM 367 O SER A 25 -36.269 -2.691 -8.931 1.00 0.00 O ATOM 368 CB SER A 25 -33.691 -0.764 -9.343 1.00 0.00 C ATOM 369 OG SER A 25 -33.024 0.286 -8.667 1.00 0.00 O ATOM 0 H SER A 25 -32.056 -2.444 -8.506 1.00 0.00 H new ATOM 0 HA SER A 25 -34.560 -1.452 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.048 -1.161 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.587 -0.377 -9.829 1.00 0.00 H new ATOM 0 HG SER A 25 -32.081 0.050 -8.545 1.00 0.00 H new ATOM 375 N THR A 26 -34.513 -3.831 -9.755 1.00 0.00 N ATOM 376 CA THR A 26 -35.337 -4.813 -10.449 1.00 0.00 C ATOM 377 C THR A 26 -35.987 -5.778 -9.466 1.00 0.00 C ATOM 378 O THR A 26 -37.180 -6.069 -9.561 1.00 0.00 O ATOM 379 CB THR A 26 -34.512 -5.616 -11.472 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.881 -4.728 -12.400 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.393 -6.602 -12.224 1.00 0.00 C ATOM 0 H THR A 26 -33.509 -3.972 -9.862 1.00 0.00 H new ATOM 0 HA THR A 26 -36.114 -4.259 -10.976 1.00 0.00 H new ATOM 0 HB THR A 26 -33.749 -6.175 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.196 -4.202 -11.936 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.788 -7.157 -12.941 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.847 -7.297 -11.517 1.00 0.00 H new ATOM 0 HG23 THR A 26 -36.176 -6.060 -12.754 1.00 0.00 H new ATOM 389 N LEU A 27 -35.196 -6.274 -8.520 1.00 0.00 N ATOM 390 CA LEU A 27 -35.696 -7.209 -7.518 1.00 0.00 C ATOM 391 C LEU A 27 -36.757 -6.550 -6.641 1.00 0.00 C ATOM 392 O LEU A 27 -37.853 -7.084 -6.468 1.00 0.00 O ATOM 393 CB LEU A 27 -34.544 -7.718 -6.648 1.00 0.00 C ATOM 394 CG LEU A 27 -33.362 -8.335 -7.396 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.077 -8.161 -6.600 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.620 -9.808 -7.679 1.00 0.00 C ATOM 0 H LEU A 27 -34.207 -6.044 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.152 -8.052 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.174 -6.887 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.939 -8.462 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.249 -7.817 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.247 -8.606 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.884 -7.099 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.179 -8.653 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.768 -10.231 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.760 -10.340 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.517 -9.909 -8.290 1.00 0.00 H new ATOM 408 N LEU A 28 -36.424 -5.388 -6.091 1.00 0.00 N ATOM 409 CA LEU A 28 -37.349 -4.654 -5.234 1.00 0.00 C ATOM 410 C LEU A 28 -38.634 -4.316 -5.983 1.00 0.00 C ATOM 411 O LEU A 28 -39.731 -4.407 -5.430 1.00 0.00 O ATOM 412 CB LEU A 28 -36.693 -3.373 -4.720 1.00 0.00 C ATOM 413 CG LEU A 28 -35.775 -3.529 -3.507 1.00 0.00 C ATOM 414 CD1 LEU A 28 -35.019 -2.237 -3.240 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.575 -3.945 -2.281 1.00 0.00 C ATOM 0 H LEU A 28 -35.520 -4.933 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.601 -5.290 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.116 -2.933 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.480 -2.662 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.049 -4.312 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.371 -2.367 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.414 -1.983 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.729 -1.434 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -35.905 -4.051 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.325 -3.185 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.069 -4.897 -2.475 1.00 0.00 H new ATOM 427 N LEU A 29 -38.491 -3.928 -7.246 1.00 0.00 N ATOM 428 CA LEU A 29 -39.641 -3.577 -8.073 1.00 0.00 C ATOM 429 C LEU A 29 -40.574 -4.771 -8.242 1.00 0.00 C ATOM 430 O LEU A 29 -41.774 -4.676 -7.986 1.00 0.00 O ATOM 431 CB LEU A 29 -39.175 -3.081 -9.443 1.00 0.00 C ATOM 432 CG LEU A 29 -38.909 -1.580 -9.559 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.089 -1.277 -10.804 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.219 -0.806 -9.581 1.00 0.00 C ATOM 0 H LEU A 29 -37.591 -3.849 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.189 -2.779 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.261 -3.613 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -39.929 -3.354 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.337 -1.264 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -37.910 -0.204 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.135 -1.801 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -38.634 -1.608 -11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.010 0.261 -9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -40.816 -1.126 -10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -40.770 -0.997 -8.660 1.00 0.00 H new ATOM 446 N VAL A 30 -40.014 -5.897 -8.673 1.00 0.00 N ATOM 447 CA VAL A 30 -40.796 -7.112 -8.873 1.00 0.00 C ATOM 448 C VAL A 30 -41.575 -7.478 -7.614 1.00 0.00 C ATOM 449 O VAL A 30 -42.799 -7.608 -7.645 1.00 0.00 O ATOM 450 CB VAL A 30 -39.898 -8.298 -9.271 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.727 -9.562 -9.442 1.00 0.00 C ATOM 452 CG2 VAL A 30 -39.127 -7.980 -10.543 1.00 0.00 C ATOM 0 H VAL A 30 -39.022 -5.993 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.496 -6.908 -9.683 1.00 0.00 H new ATOM 0 HB VAL A 30 -39.178 -8.470 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -40.075 -10.389 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -41.228 -9.798 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -41.472 -9.406 -10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.498 -8.829 -10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.828 -7.780 -11.353 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.502 -7.102 -10.380 1.00 0.00 H new ATOM 462 N LEU A 31 -40.857 -7.643 -6.509 1.00 0.00 N ATOM 463 CA LEU A 31 -41.481 -7.993 -5.237 1.00 0.00 C ATOM 464 C LEU A 31 -42.621 -7.035 -4.908 1.00 0.00 C ATOM 465 O LEU A 31 -43.657 -7.444 -4.384 1.00 0.00 O ATOM 466 CB LEU A 31 -40.442 -7.972 -4.115 1.00 0.00 C ATOM 467 CG LEU A 31 -39.409 -9.100 -4.135 1.00 0.00 C ATOM 468 CD1 LEU A 31 -38.131 -8.665 -3.436 1.00 0.00 C ATOM 469 CD2 LEU A 31 -39.975 -10.354 -3.483 1.00 0.00 C ATOM 0 H LEU A 31 -39.843 -7.540 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.891 -8.999 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.912 -7.020 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.967 -8.004 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 31 -39.171 -9.330 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.408 -9.480 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.715 -7.796 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.352 -8.407 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -39.226 -11.146 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -40.242 -10.137 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.863 -10.678 -4.027 1.00 0.00 H new ATOM 789 N VAL B 112 -13.847 -2.955 -2.403 1.00 0.00 N ATOM 790 CA VAL B 112 -14.917 -2.304 -3.149 1.00 0.00 C ATOM 791 C VAL B 112 -15.168 -3.005 -4.479 1.00 0.00 C ATOM 792 O VAL B 112 -16.294 -3.394 -4.785 1.00 0.00 O ATOM 793 CB VAL B 112 -14.594 -0.822 -3.416 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.713 -0.165 -4.210 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.354 -0.085 -2.107 1.00 0.00 C ATOM 0 HA VAL B 112 -15.814 -2.368 -2.534 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.681 -0.769 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.466 0.882 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.832 -0.678 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.644 -0.227 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.127 0.961 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.248 -0.146 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.515 -0.541 -1.581 1.00 0.00 H new ATOM 805 N ALA B 113 -14.108 -3.166 -5.265 1.00 0.00 N ATOM 806 CA ALA B 113 -14.212 -3.824 -6.562 1.00 0.00 C ATOM 807 C ALA B 113 -14.675 -5.268 -6.409 1.00 0.00 C ATOM 808 O ALA B 113 -15.391 -5.795 -7.261 1.00 0.00 O ATOM 809 CB ALA B 113 -12.876 -3.770 -7.289 1.00 0.00 C ATOM 0 H ALA B 113 -13.168 -2.850 -5.026 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.957 -3.292 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.968 -4.265 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.585 -2.730 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.117 -4.276 -6.693 1.00 0.00 H new ATOM 815 N VAL B 114 -14.261 -5.905 -5.317 1.00 0.00 N ATOM 816 CA VAL B 114 -14.635 -7.290 -5.053 1.00 0.00 C ATOM 817 C VAL B 114 -16.134 -7.417 -4.808 1.00 0.00 C ATOM 818 O VAL B 114 -16.825 -8.166 -5.498 1.00 0.00 O ATOM 819 CB VAL B 114 -13.877 -7.852 -3.836 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.298 -9.288 -3.561 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.375 -7.760 -4.055 1.00 0.00 C ATOM 0 H VAL B 114 -13.667 -5.484 -4.602 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.365 -7.866 -5.938 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.131 -7.251 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -13.752 -9.668 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.368 -9.321 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.076 -9.905 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -11.855 -8.162 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.100 -8.335 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.091 -6.717 -4.198 1.00 0.00 H new ATOM 831 N GLY B 115 -16.632 -6.680 -3.820 1.00 0.00 N ATOM 832 CA GLY B 115 -18.047 -6.725 -3.502 1.00 0.00 C ATOM 833 C GLY B 115 -18.918 -6.301 -4.668 1.00 0.00 C ATOM 834 O GLY B 115 -19.843 -7.017 -5.054 1.00 0.00 O ATOM 0 H GLY B 115 -16.081 -6.053 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.316 -7.737 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.245 -6.075 -2.649 1.00 0.00 H new ATOM 838 N LEU B 116 -18.623 -5.134 -5.230 1.00 0.00 N ATOM 839 CA LEU B 116 -19.388 -4.614 -6.359 1.00 0.00 C ATOM 840 C LEU B 116 -19.492 -5.653 -7.470 1.00 0.00 C ATOM 841 O LEU B 116 -20.584 -5.965 -7.943 1.00 0.00 O ATOM 842 CB LEU B 116 -18.737 -3.339 -6.896 1.00 0.00 C ATOM 843 CG LEU B 116 -19.186 -2.030 -6.245 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.189 -0.919 -6.536 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.575 -1.643 -6.730 1.00 0.00 C ATOM 0 H LEU B 116 -17.860 -4.530 -4.923 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.394 -4.381 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.657 -3.429 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.936 -3.276 -7.966 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.228 -2.179 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.525 0.004 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.212 -1.194 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.114 -0.770 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.879 -0.709 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.559 -1.513 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.284 -2.429 -6.469 1.00 0.00 H new ATOM 857 N ALA B 117 -18.346 -6.187 -7.883 1.00 0.00 N ATOM 858 CA ALA B 117 -18.309 -7.194 -8.936 1.00 0.00 C ATOM 859 C ALA B 117 -19.274 -8.336 -8.638 1.00 0.00 C ATOM 860 O ALA B 117 -20.102 -8.698 -9.475 1.00 0.00 O ATOM 861 CB ALA B 117 -16.894 -7.728 -9.106 1.00 0.00 C ATOM 0 H ALA B 117 -17.432 -5.939 -7.504 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.622 -6.722 -9.867 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.881 -8.479 -9.896 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.226 -6.909 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.560 -8.178 -8.171 1.00 0.00 H new ATOM 867 N VAL B 118 -19.163 -8.902 -7.441 1.00 0.00 N ATOM 868 CA VAL B 118 -20.026 -10.004 -7.032 1.00 0.00 C ATOM 869 C VAL B 118 -21.495 -9.666 -7.263 1.00 0.00 C ATOM 870 O VAL B 118 -22.244 -10.459 -7.833 1.00 0.00 O ATOM 871 CB VAL B 118 -19.820 -10.358 -5.548 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.744 -11.494 -5.135 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.366 -10.721 -5.283 1.00 0.00 C ATOM 0 H VAL B 118 -18.483 -8.615 -6.737 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.753 -10.864 -7.644 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.068 -9.483 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.583 -11.730 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.781 -11.193 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.531 -12.375 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.239 -10.968 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.088 -11.580 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.728 -9.875 -5.537 1.00 0.00 H new ATOM 883 N PHE B 119 -21.901 -8.482 -6.816 1.00 0.00 N ATOM 884 CA PHE B 119 -23.280 -8.038 -6.974 1.00 0.00 C ATOM 885 C PHE B 119 -23.681 -8.018 -8.445 1.00 0.00 C ATOM 886 O PHE B 119 -24.686 -8.611 -8.835 1.00 0.00 O ATOM 887 CB PHE B 119 -23.463 -6.646 -6.365 1.00 0.00 C ATOM 888 CG PHE B 119 -24.799 -6.451 -5.705 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.037 -6.948 -4.434 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.814 -5.769 -6.356 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.265 -6.770 -3.825 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.044 -5.587 -5.751 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.269 -6.088 -4.484 1.00 0.00 C ATOM 0 H PHE B 119 -21.294 -7.813 -6.342 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.924 -8.744 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.676 -6.473 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.340 -5.897 -7.147 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.255 -7.480 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.643 -5.375 -7.347 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.439 -7.164 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.828 -5.054 -6.269 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.229 -5.947 -4.009 1.00 0.00 H new ATOM 903 N ALA B 120 -22.887 -7.329 -9.260 1.00 0.00 N ATOM 904 CA ALA B 120 -23.157 -7.232 -10.689 1.00 0.00 C ATOM 905 C ALA B 120 -23.181 -8.612 -11.337 1.00 0.00 C ATOM 906 O ALA B 120 -23.996 -8.879 -12.221 1.00 0.00 O ATOM 907 CB ALA B 120 -22.119 -6.348 -11.363 1.00 0.00 C ATOM 0 H ALA B 120 -22.052 -6.830 -8.954 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.141 -6.781 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.333 -6.284 -12.430 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.152 -5.350 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.127 -6.775 -11.217 1.00 0.00 H new ATOM 913 N CYS B 121 -22.283 -9.485 -10.895 1.00 0.00 N ATOM 914 CA CYS B 121 -22.201 -10.837 -11.434 1.00 0.00 C ATOM 915 C CYS B 121 -23.526 -11.572 -11.265 1.00 0.00 C ATOM 916 O CYS B 121 -23.999 -12.242 -12.184 1.00 0.00 O ATOM 917 CB CYS B 121 -21.080 -11.616 -10.743 1.00 0.00 C ATOM 918 SG CYS B 121 -19.416 -11.115 -11.244 1.00 0.00 S ATOM 0 H CYS B 121 -21.601 -9.280 -10.164 1.00 0.00 H new ATOM 0 HA CYS B 121 -21.981 -10.764 -12.499 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.176 -11.491 -9.665 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.207 -12.678 -10.953 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.118 -9.979 -10.686 1.00 0.00 H new ATOM 924 N LEU B 122 -24.121 -11.443 -10.084 1.00 0.00 N ATOM 925 CA LEU B 122 -25.392 -12.096 -9.793 1.00 0.00 C ATOM 926 C LEU B 122 -26.509 -11.527 -10.664 1.00 0.00 C ATOM 927 O LEU B 122 -27.355 -12.267 -11.167 1.00 0.00 O ATOM 928 CB LEU B 122 -25.747 -11.929 -8.315 1.00 0.00 C ATOM 929 CG LEU B 122 -25.358 -13.087 -7.395 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.247 -12.611 -5.955 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.367 -14.221 -7.509 1.00 0.00 C ATOM 0 H LEU B 122 -23.744 -10.892 -9.313 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.287 -13.157 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.267 -11.022 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.823 -11.774 -8.236 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.383 -13.462 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -24.969 -13.449 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -24.486 -11.834 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.206 -12.208 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -26.074 -15.036 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.355 -13.859 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -26.395 -14.581 -8.538 1.00 0.00 H new ATOM 943 N PHE B 123 -26.503 -10.210 -10.838 1.00 0.00 N ATOM 944 CA PHE B 123 -27.515 -9.542 -11.648 1.00 0.00 C ATOM 945 C PHE B 123 -27.539 -10.110 -13.065 1.00 0.00 C ATOM 946 O PHE B 123 -28.603 -10.409 -13.608 1.00 0.00 O ATOM 947 CB PHE B 123 -27.247 -8.037 -11.695 1.00 0.00 C ATOM 948 CG PHE B 123 -28.287 -7.267 -12.459 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.599 -7.710 -12.507 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.953 -6.101 -13.128 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.558 -7.004 -13.210 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.908 -5.390 -13.832 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.212 -5.843 -13.871 1.00 0.00 C ATOM 0 H PHE B 123 -25.809 -9.584 -10.429 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.488 -9.717 -11.188 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.197 -7.653 -10.676 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.271 -7.864 -12.149 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.876 -8.617 -11.990 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.935 -5.743 -13.100 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.577 -7.361 -13.242 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.635 -4.483 -14.350 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.960 -5.289 -14.418 1.00 0.00 H new ATOM 963 N LEU B 124 -26.358 -10.256 -13.657 1.00 0.00 N ATOM 964 CA LEU B 124 -26.243 -10.787 -15.010 1.00 0.00 C ATOM 965 C LEU B 124 -26.565 -12.278 -15.040 1.00 0.00 C ATOM 966 O LEU B 124 -27.020 -12.806 -16.055 1.00 0.00 O ATOM 967 CB LEU B 124 -24.833 -10.549 -15.555 1.00 0.00 C ATOM 968 CG LEU B 124 -24.567 -9.163 -16.144 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.177 -8.678 -15.761 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.727 -9.187 -17.656 1.00 0.00 C ATOM 0 H LEU B 124 -25.468 -10.014 -13.221 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.963 -10.265 -15.640 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.119 -10.723 -14.749 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.632 -11.294 -16.325 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.298 -8.468 -15.732 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -23.006 -7.690 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -23.098 -8.622 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.431 -9.374 -16.144 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.534 -8.192 -18.058 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -24.019 -9.896 -18.086 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.743 -9.490 -17.910 1.00 0.00 H new ATOM 982 N SER B 125 -26.330 -12.951 -13.918 1.00 0.00 N ATOM 983 CA SER B 125 -26.593 -14.382 -13.815 1.00 0.00 C ATOM 984 C SER B 125 -28.090 -14.650 -13.694 1.00 0.00 C ATOM 985 O SER B 125 -28.597 -15.651 -14.203 1.00 0.00 O ATOM 986 CB SER B 125 -25.858 -14.973 -12.610 1.00 0.00 C ATOM 987 OG SER B 125 -24.459 -15.004 -12.832 1.00 0.00 O ATOM 0 H SER B 125 -25.958 -12.528 -13.067 1.00 0.00 H new ATOM 0 HA SER B 125 -26.227 -14.860 -14.724 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.075 -14.381 -11.721 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.221 -15.982 -12.417 1.00 0.00 H new ATOM 0 HG SER B 125 -24.081 -14.116 -12.661 1.00 0.00 H new ATOM 993 N THR B 126 -28.794 -13.749 -13.017 1.00 0.00 N ATOM 994 CA THR B 126 -30.232 -13.888 -12.826 1.00 0.00 C ATOM 995 C THR B 126 -30.988 -13.610 -14.121 1.00 0.00 C ATOM 996 O THR B 126 -31.895 -14.354 -14.495 1.00 0.00 O ATOM 997 CB THR B 126 -30.748 -12.937 -11.730 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.045 -13.174 -10.505 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.242 -13.127 -11.508 1.00 0.00 C ATOM 0 H THR B 126 -28.391 -12.914 -12.591 1.00 0.00 H new ATOM 0 HA THR B 126 -30.411 -14.918 -12.517 1.00 0.00 H new ATOM 0 HB THR B 126 -30.572 -11.912 -12.057 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.105 -12.918 -10.613 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.584 -12.445 -10.730 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.777 -12.918 -12.434 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.436 -14.155 -11.201 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.608 -12.534 -14.802 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.249 -12.158 -16.057 1.00 0.00 C ATOM 1009 C LEU B 127 -31.027 -13.225 -17.124 1.00 0.00 C ATOM 1010 O LEU B 127 -31.976 -13.702 -17.747 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.709 -10.812 -16.545 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.788 -9.655 -15.548 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.670 -8.657 -15.800 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.145 -8.972 -15.632 1.00 0.00 C ATOM 0 H LEU B 127 -29.860 -11.907 -14.506 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.320 -12.069 -15.877 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.667 -10.945 -16.835 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.256 -10.528 -17.444 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.668 -10.057 -14.542 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.742 -7.841 -15.081 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.706 -9.154 -15.689 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.758 -8.259 -16.811 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.184 -8.151 -14.916 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.295 -8.583 -16.639 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.930 -9.692 -15.401 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.768 -13.598 -17.328 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.422 -14.611 -18.317 1.00 0.00 C ATOM 1028 C LEU B 128 -30.118 -15.933 -18.011 1.00 0.00 C ATOM 1029 O LEU B 128 -30.592 -16.622 -18.916 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.906 -14.817 -18.356 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.113 -13.809 -19.189 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.619 -13.991 -18.966 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.454 -13.952 -20.665 1.00 0.00 C ATOM 0 H LEU B 128 -28.971 -13.214 -16.821 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.761 -14.261 -19.292 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.529 -14.789 -17.334 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.705 -15.816 -18.743 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.388 -12.804 -18.868 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -25.070 -13.265 -19.567 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.387 -13.839 -17.912 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.327 -14.999 -19.260 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.881 -13.227 -21.243 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -27.207 -14.960 -21.000 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.519 -13.772 -20.811 1.00 0.00 H new