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= 0.415 USER MOD Single : A 25 SER OG : rot 80:sc= 1.19 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.632 USER MOD Single : B 121 CYS SG : rot 76:sc= 0.42 USER MOD Single : B 125 SER OG : rot 80:sc= 0.716 USER MOD Single : B 126 THR OG1 : rot 68:sc= 0.706 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.591 2.963 -12.515 1.00 0.00 N ATOM 172 CA VAL A 12 -14.896 1.618 -12.042 1.00 0.00 C ATOM 173 C VAL A 12 -16.013 1.639 -11.006 1.00 0.00 C ATOM 174 O VAL A 12 -17.013 0.935 -11.141 1.00 0.00 O ATOM 175 CB VAL A 12 -13.654 0.944 -11.428 1.00 0.00 C ATOM 176 CG1 VAL A 12 -13.995 -0.451 -10.929 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.520 0.896 -12.440 1.00 0.00 C ATOM 0 HA VAL A 12 -15.221 1.044 -12.910 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.324 1.537 -10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.105 -0.911 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.773 -0.385 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.351 -1.058 -11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.651 0.417 -11.990 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.836 0.327 -13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.259 1.910 -12.743 1.00 0.00 H new ATOM 187 N ALA A 13 -15.836 2.454 -9.971 1.00 0.00 N ATOM 188 CA ALA A 13 -16.831 2.570 -8.911 1.00 0.00 C ATOM 189 C ALA A 13 -18.155 3.096 -9.456 1.00 0.00 C ATOM 190 O ALA A 13 -19.228 2.705 -8.996 1.00 0.00 O ATOM 191 CB ALA A 13 -16.318 3.475 -7.802 1.00 0.00 C ATOM 0 H ALA A 13 -15.013 3.043 -9.844 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.006 1.575 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.071 3.552 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.402 3.056 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.113 4.466 -8.207 1.00 0.00 H new ATOM 197 N VAL A 14 -18.073 3.987 -10.439 1.00 0.00 N ATOM 198 CA VAL A 14 -19.264 4.567 -11.048 1.00 0.00 C ATOM 199 C VAL A 14 -20.064 3.512 -11.803 1.00 0.00 C ATOM 200 O VAL A 14 -21.242 3.292 -11.524 1.00 0.00 O ATOM 201 CB VAL A 14 -18.901 5.710 -12.014 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.156 6.295 -12.645 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.107 6.787 -11.290 1.00 0.00 C ATOM 0 H VAL A 14 -17.193 4.323 -10.831 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.872 4.967 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.278 5.305 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.880 7.101 -13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.681 5.517 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.808 6.686 -11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.859 7.587 -11.988 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.704 7.191 -10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.189 6.356 -10.891 1.00 0.00 H new ATOM 213 N GLY A 15 -19.416 2.861 -12.765 1.00 0.00 N ATOM 214 CA GLY A 15 -20.081 1.836 -13.547 1.00 0.00 C ATOM 215 C GLY A 15 -20.615 0.707 -12.689 1.00 0.00 C ATOM 216 O GLY A 15 -21.789 0.345 -12.784 1.00 0.00 O ATOM 0 H GLY A 15 -18.441 3.026 -13.016 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.903 2.285 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.382 1.432 -14.280 1.00 0.00 H new ATOM 220 N LEU A 16 -19.752 0.146 -11.848 1.00 0.00 N ATOM 221 CA LEU A 16 -20.143 -0.950 -10.969 1.00 0.00 C ATOM 222 C LEU A 16 -21.397 -0.593 -10.178 1.00 0.00 C ATOM 223 O LEU A 16 -22.376 -1.339 -10.178 1.00 0.00 O ATOM 224 CB LEU A 16 -19.001 -1.293 -10.010 1.00 0.00 C ATOM 225 CG LEU A 16 -17.992 -2.327 -10.510 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.726 -2.287 -9.671 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.603 -3.721 -10.491 1.00 0.00 C ATOM 0 H LEU A 16 -18.777 0.432 -11.757 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.362 -1.819 -11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.463 -0.375 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.433 -1.658 -9.078 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.729 -2.081 -11.539 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.020 -3.030 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.277 -1.296 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.971 -2.507 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.871 -4.444 -10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.896 -3.976 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.481 -3.742 -11.137 1.00 0.00 H new ATOM 239 N ALA A 17 -21.360 0.552 -9.504 1.00 0.00 N ATOM 240 CA ALA A 17 -22.495 1.009 -8.712 1.00 0.00 C ATOM 241 C ALA A 17 -23.780 0.995 -9.534 1.00 0.00 C ATOM 242 O ALA A 17 -24.792 0.436 -9.113 1.00 0.00 O ATOM 243 CB ALA A 17 -22.230 2.405 -8.167 1.00 0.00 C ATOM 0 H ALA A 17 -20.556 1.180 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.623 0.322 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.086 2.734 -7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.341 2.387 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.073 3.095 -8.996 1.00 0.00 H new ATOM 249 N VAL A 18 -23.732 1.615 -10.709 1.00 0.00 N ATOM 250 CA VAL A 18 -24.892 1.673 -11.590 1.00 0.00 C ATOM 251 C VAL A 18 -25.483 0.286 -11.812 1.00 0.00 C ATOM 252 O VAL A 18 -26.693 0.088 -11.695 1.00 0.00 O ATOM 253 CB VAL A 18 -24.529 2.289 -12.955 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.755 2.355 -13.853 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.919 3.670 -12.770 1.00 0.00 C ATOM 0 H VAL A 18 -22.902 2.084 -11.072 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.632 2.305 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.788 1.651 -13.437 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.480 2.793 -14.813 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -26.145 1.349 -14.011 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.520 2.970 -13.380 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.669 4.091 -13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.635 4.320 -12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.015 3.591 -12.166 1.00 0.00 H new ATOM 265 N PHE A 19 -24.622 -0.674 -12.134 1.00 0.00 N ATOM 266 CA PHE A 19 -25.059 -2.045 -12.373 1.00 0.00 C ATOM 267 C PHE A 19 -25.773 -2.609 -11.149 1.00 0.00 C ATOM 268 O PHE A 19 -26.902 -3.091 -11.242 1.00 0.00 O ATOM 269 CB PHE A 19 -23.863 -2.929 -12.732 1.00 0.00 C ATOM 270 CG PHE A 19 -24.177 -3.971 -13.766 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.228 -3.639 -15.110 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.421 -5.283 -13.395 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.517 -4.596 -16.064 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.711 -6.245 -14.345 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.758 -5.901 -15.682 1.00 0.00 C ATOM 0 H PHE A 19 -23.618 -0.528 -12.235 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.759 -2.036 -13.208 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -23.052 -2.299 -13.097 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.502 -3.422 -11.829 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -24.040 -2.620 -15.416 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.384 -5.558 -12.351 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.554 -4.323 -17.108 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.901 -7.264 -14.042 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.983 -6.651 -16.426 1.00 0.00 H new ATOM 285 N ALA A 20 -25.107 -2.547 -10.000 1.00 0.00 N ATOM 286 CA ALA A 20 -25.678 -3.049 -8.757 1.00 0.00 C ATOM 287 C ALA A 20 -26.987 -2.342 -8.428 1.00 0.00 C ATOM 288 O ALA A 20 -27.932 -2.959 -7.936 1.00 0.00 O ATOM 289 CB ALA A 20 -24.685 -2.885 -7.616 1.00 0.00 C ATOM 0 H ALA A 20 -24.171 -2.154 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.893 -4.110 -8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.125 -3.264 -6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.777 -3.444 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.441 -1.830 -7.495 1.00 0.00 H new ATOM 295 N CYS A 21 -27.035 -1.042 -8.700 1.00 0.00 N ATOM 296 CA CYS A 21 -28.230 -0.248 -8.431 1.00 0.00 C ATOM 297 C CYS A 21 -29.433 -0.802 -9.187 1.00 0.00 C ATOM 298 O CYS A 21 -30.536 -0.884 -8.646 1.00 0.00 O ATOM 299 CB CYS A 21 -27.995 1.212 -8.821 1.00 0.00 C ATOM 300 SG CYS A 21 -26.928 2.119 -7.676 1.00 0.00 S ATOM 0 H CYS A 21 -26.261 -0.516 -9.106 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.440 -0.302 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.552 1.244 -9.816 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.957 1.720 -8.884 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.688 1.787 -7.883 1.00 0.00 H new ATOM 306 N LEU A 22 -29.213 -1.180 -10.442 1.00 0.00 N ATOM 307 CA LEU A 22 -30.280 -1.726 -11.275 1.00 0.00 C ATOM 308 C LEU A 22 -30.750 -3.075 -10.742 1.00 0.00 C ATOM 309 O LEU A 22 -31.949 -3.355 -10.702 1.00 0.00 O ATOM 310 CB LEU A 22 -29.800 -1.874 -12.720 1.00 0.00 C ATOM 311 CG LEU A 22 -30.045 -0.672 -13.635 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.481 -0.934 -15.022 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.533 -0.357 -13.713 1.00 0.00 C ATOM 0 H LEU A 22 -28.306 -1.119 -10.905 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.121 -1.033 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.730 -2.083 -12.707 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.290 -2.744 -13.157 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.532 0.192 -13.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.664 -0.069 -15.659 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.408 -1.111 -14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.966 -1.810 -15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.690 0.500 -14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -32.067 -1.220 -14.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.909 -0.126 -12.716 1.00 0.00 H new ATOM 325 N PHE A 23 -29.799 -3.908 -10.333 1.00 0.00 N ATOM 326 CA PHE A 23 -30.116 -5.229 -9.802 1.00 0.00 C ATOM 327 C PHE A 23 -31.063 -5.122 -8.610 1.00 0.00 C ATOM 328 O PHE A 23 -32.055 -5.848 -8.524 1.00 0.00 O ATOM 329 CB PHE A 23 -28.836 -5.955 -9.387 1.00 0.00 C ATOM 330 CG PHE A 23 -29.071 -7.359 -8.908 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.128 -8.106 -9.402 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.236 -7.932 -7.962 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.348 -9.398 -8.964 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.450 -9.224 -7.520 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.508 -9.958 -8.021 1.00 0.00 C ATOM 0 H PHE A 23 -28.802 -3.692 -10.359 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.611 -5.800 -10.587 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.150 -5.979 -10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.346 -5.387 -8.596 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.788 -7.673 -10.139 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.408 -7.362 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.175 -9.969 -9.358 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.791 -9.659 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.678 -10.967 -7.676 1.00 0.00 H new ATOM 345 N LEU A 24 -30.750 -4.213 -7.693 1.00 0.00 N ATOM 346 CA LEU A 24 -31.573 -4.011 -6.505 1.00 0.00 C ATOM 347 C LEU A 24 -32.894 -3.340 -6.865 1.00 0.00 C ATOM 348 O LEU A 24 -33.898 -3.515 -6.176 1.00 0.00 O ATOM 349 CB LEU A 24 -30.820 -3.164 -5.477 1.00 0.00 C ATOM 350 CG LEU A 24 -29.783 -3.902 -4.630 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.566 -3.022 -4.389 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.392 -4.344 -3.308 1.00 0.00 C ATOM 0 H LEU A 24 -29.933 -3.605 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.790 -4.988 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.319 -2.351 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.549 -2.708 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.462 -4.790 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.839 -3.564 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.116 -2.754 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.870 -2.116 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.640 -4.868 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.741 -3.470 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.232 -5.011 -3.500 1.00 0.00 H new ATOM 364 N SER A 25 -32.884 -2.570 -7.949 1.00 0.00 N ATOM 365 CA SER A 25 -34.082 -1.871 -8.400 1.00 0.00 C ATOM 366 C SER A 25 -35.057 -2.837 -9.065 1.00 0.00 C ATOM 367 O SER A 25 -36.274 -2.685 -8.952 1.00 0.00 O ATOM 368 CB SER A 25 -33.708 -0.754 -9.376 1.00 0.00 C ATOM 369 OG SER A 25 -33.018 0.292 -8.714 1.00 0.00 O ATOM 0 H SER A 25 -32.061 -2.415 -8.530 1.00 0.00 H new ATOM 0 HA SER A 25 -34.569 -1.435 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.084 -1.158 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.609 -0.360 -9.845 1.00 0.00 H new ATOM 0 HG SER A 25 -32.078 0.040 -8.596 1.00 0.00 H new ATOM 375 N THR A 26 -34.515 -3.832 -9.759 1.00 0.00 N ATOM 376 CA THR A 26 -35.336 -4.823 -10.443 1.00 0.00 C ATOM 377 C THR A 26 -35.981 -5.784 -9.450 1.00 0.00 C ATOM 378 O THR A 26 -37.174 -6.075 -9.538 1.00 0.00 O ATOM 379 CB THR A 26 -34.509 -5.633 -11.459 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.883 -4.749 -12.397 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.387 -6.629 -12.201 1.00 0.00 C ATOM 0 H THR A 26 -33.510 -3.973 -9.862 1.00 0.00 H new ATOM 0 HA THR A 26 -36.115 -4.275 -10.973 1.00 0.00 H new ATOM 0 HB THR A 26 -33.743 -6.185 -10.913 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.180 -4.238 -11.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.780 -7.189 -12.913 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.838 -7.318 -11.487 1.00 0.00 H new ATOM 0 HG23 THR A 26 -36.172 -6.094 -12.735 1.00 0.00 H new ATOM 389 N LEU A 27 -35.185 -6.273 -8.505 1.00 0.00 N ATOM 390 CA LEU A 27 -35.679 -7.201 -7.494 1.00 0.00 C ATOM 391 C LEU A 27 -36.740 -6.540 -6.620 1.00 0.00 C ATOM 392 O LEU A 27 -37.831 -7.082 -6.431 1.00 0.00 O ATOM 393 CB LEU A 27 -34.524 -7.698 -6.623 1.00 0.00 C ATOM 394 CG LEU A 27 -33.339 -8.316 -7.367 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.055 -8.127 -6.576 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.591 -9.793 -7.638 1.00 0.00 C ATOM 0 H LEU A 27 -34.195 -6.042 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.133 -8.050 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.157 -6.861 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.915 -8.438 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.229 -7.806 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.223 -8.573 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.868 -7.062 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.152 -8.610 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.738 -10.216 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.728 -10.318 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.488 -9.903 -8.248 1.00 0.00 H new ATOM 408 N LEU A 28 -36.417 -5.364 -6.092 1.00 0.00 N ATOM 409 CA LEU A 28 -37.344 -4.627 -5.240 1.00 0.00 C ATOM 410 C LEU A 28 -38.636 -4.310 -5.987 1.00 0.00 C ATOM 411 O LEU A 28 -39.730 -4.425 -5.434 1.00 0.00 O ATOM 412 CB LEU A 28 -36.695 -3.332 -4.749 1.00 0.00 C ATOM 413 CG LEU A 28 -35.789 -3.459 -3.524 1.00 0.00 C ATOM 414 CD1 LEU A 28 -35.047 -2.155 -3.272 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.598 -3.860 -2.299 1.00 0.00 C ATOM 0 H LEU A 28 -35.520 -4.901 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.587 -5.253 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.111 -2.909 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.485 -2.617 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.054 -4.240 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.407 -2.264 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.435 -1.911 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.766 -1.355 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -35.936 -3.945 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.356 -3.103 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.082 -4.819 -2.481 1.00 0.00 H new ATOM 427 N LEU A 29 -38.501 -3.913 -7.248 1.00 0.00 N ATOM 428 CA LEU A 29 -39.658 -3.581 -8.073 1.00 0.00 C ATOM 429 C LEU A 29 -40.580 -4.786 -8.227 1.00 0.00 C ATOM 430 O LEU A 29 -41.790 -4.684 -8.024 1.00 0.00 O ATOM 431 CB LEU A 29 -39.203 -3.093 -9.450 1.00 0.00 C ATOM 432 CG LEU A 29 -38.939 -1.592 -9.577 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.170 -1.292 -10.854 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.247 -0.816 -9.545 1.00 0.00 C ATOM 0 H LEU A 29 -37.603 -3.813 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.212 -2.784 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.291 -3.626 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -39.962 -3.371 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.332 -1.276 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -37.991 -0.219 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.216 -1.819 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -38.751 -1.623 -11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.040 0.250 -9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -40.880 -1.135 -10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -40.760 -1.006 -8.602 1.00 0.00 H new ATOM 446 N VAL A 30 -40.000 -5.926 -8.585 1.00 0.00 N ATOM 447 CA VAL A 30 -40.769 -7.152 -8.763 1.00 0.00 C ATOM 448 C VAL A 30 -41.516 -7.523 -7.486 1.00 0.00 C ATOM 449 O VAL A 30 -42.738 -7.679 -7.492 1.00 0.00 O ATOM 450 CB VAL A 30 -39.865 -8.329 -9.174 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.679 -9.605 -9.318 1.00 0.00 C ATOM 452 CG2 VAL A 30 -39.128 -8.008 -10.466 1.00 0.00 C ATOM 0 H VAL A 30 -39.000 -6.027 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.488 -6.960 -9.560 1.00 0.00 H new ATOM 0 HB VAL A 30 -39.125 -8.487 -8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -40.022 -10.425 -9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -41.156 -9.842 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -41.444 -9.464 -10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.494 -8.850 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.851 -7.822 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.511 -7.121 -10.322 1.00 0.00 H new ATOM 462 N LEU A 31 -40.774 -7.662 -6.393 1.00 0.00 N ATOM 463 CA LEU A 31 -41.366 -8.013 -5.107 1.00 0.00 C ATOM 464 C LEU A 31 -42.522 -7.079 -4.765 1.00 0.00 C ATOM 465 O LEU A 31 -43.518 -7.496 -4.175 1.00 0.00 O ATOM 466 CB LEU A 31 -40.307 -7.957 -4.004 1.00 0.00 C ATOM 467 CG LEU A 31 -39.212 -9.021 -4.070 1.00 0.00 C ATOM 468 CD1 LEU A 31 -37.875 -8.438 -3.638 1.00 0.00 C ATOM 469 CD2 LEU A 31 -39.579 -10.219 -3.206 1.00 0.00 C ATOM 0 H LEU A 31 -39.762 -7.537 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.754 -9.029 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.834 -6.975 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.810 -8.041 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -39.121 -9.358 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.107 -9.210 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.607 -7.613 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -37.951 -8.072 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -38.788 -10.966 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -39.698 -9.898 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.514 -10.652 -3.562 1.00 0.00 H new ATOM 789 N VAL B 112 -14.117 -2.928 -2.256 1.00 0.00 N ATOM 790 CA VAL B 112 -15.123 -2.249 -3.064 1.00 0.00 C ATOM 791 C VAL B 112 -15.285 -2.925 -4.421 1.00 0.00 C ATOM 792 O VAL B 112 -16.393 -3.291 -4.815 1.00 0.00 O ATOM 793 CB VAL B 112 -14.762 -0.767 -3.280 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.815 -0.081 -4.138 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.606 -0.057 -1.944 1.00 0.00 C ATOM 0 HA VAL B 112 -16.064 -2.310 -2.517 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.809 -0.716 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.544 0.965 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.873 -0.576 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.784 -0.140 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.351 0.989 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.542 -0.116 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.813 -0.534 -1.369 1.00 0.00 H new ATOM 805 N ALA B 113 -14.175 -3.088 -5.131 1.00 0.00 N ATOM 806 CA ALA B 113 -14.193 -3.721 -6.444 1.00 0.00 C ATOM 807 C ALA B 113 -14.657 -5.171 -6.347 1.00 0.00 C ATOM 808 O ALA B 113 -15.349 -5.673 -7.232 1.00 0.00 O ATOM 809 CB ALA B 113 -12.815 -3.649 -7.085 1.00 0.00 C ATOM 0 H ALA B 113 -13.251 -2.790 -4.819 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.902 -3.180 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.844 -4.126 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.520 -2.606 -7.198 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.092 -4.164 -6.452 1.00 0.00 H new ATOM 815 N VAL B 114 -14.271 -5.840 -5.265 1.00 0.00 N ATOM 816 CA VAL B 114 -14.648 -7.232 -5.052 1.00 0.00 C ATOM 817 C VAL B 114 -16.148 -7.364 -4.816 1.00 0.00 C ATOM 818 O VAL B 114 -16.840 -8.083 -5.536 1.00 0.00 O ATOM 819 CB VAL B 114 -13.895 -7.841 -3.854 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.312 -9.288 -3.640 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.392 -7.736 -4.062 1.00 0.00 C ATOM 0 H VAL B 114 -13.697 -5.440 -4.522 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.376 -7.776 -5.956 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.156 -7.277 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -13.769 -9.701 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.383 -9.333 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.083 -9.869 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -11.875 -8.171 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.112 -8.274 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.111 -6.688 -4.161 1.00 0.00 H new ATOM 831 N GLY B 115 -16.646 -6.667 -3.799 1.00 0.00 N ATOM 832 CA GLY B 115 -18.062 -6.720 -3.487 1.00 0.00 C ATOM 833 C GLY B 115 -18.931 -6.299 -4.655 1.00 0.00 C ATOM 834 O GLY B 115 -19.856 -7.016 -5.041 1.00 0.00 O ATOM 0 H GLY B 115 -16.094 -6.067 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.327 -7.734 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.267 -6.073 -2.634 1.00 0.00 H new ATOM 838 N LEU B 116 -18.636 -5.134 -5.219 1.00 0.00 N ATOM 839 CA LEU B 116 -19.398 -4.617 -6.351 1.00 0.00 C ATOM 840 C LEU B 116 -19.497 -5.657 -7.461 1.00 0.00 C ATOM 841 O LEU B 116 -20.589 -5.968 -7.939 1.00 0.00 O ATOM 842 CB LEU B 116 -18.748 -3.341 -6.888 1.00 0.00 C ATOM 843 CG LEU B 116 -19.223 -2.030 -6.261 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.233 -0.911 -6.548 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.607 -1.663 -6.775 1.00 0.00 C ATOM 0 H LEU B 116 -17.875 -4.529 -4.912 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.405 -4.386 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.670 -3.419 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.925 -3.292 -7.962 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.283 -2.167 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.588 0.014 -6.094 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.260 -1.170 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.141 -0.774 -7.625 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.929 -0.727 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.573 -1.545 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.312 -2.454 -6.518 1.00 0.00 H new ATOM 857 N ALA B 117 -18.351 -6.194 -7.866 1.00 0.00 N ATOM 858 CA ALA B 117 -18.311 -7.203 -8.918 1.00 0.00 C ATOM 859 C ALA B 117 -19.277 -8.344 -8.621 1.00 0.00 C ATOM 860 O ALA B 117 -20.100 -8.709 -9.461 1.00 0.00 O ATOM 861 CB ALA B 117 -16.895 -7.736 -9.082 1.00 0.00 C ATOM 0 H ALA B 117 -17.439 -5.948 -7.482 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.622 -6.733 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.879 -8.489 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.227 -6.917 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.564 -8.185 -8.145 1.00 0.00 H new ATOM 867 N VAL B 118 -19.172 -8.906 -7.421 1.00 0.00 N ATOM 868 CA VAL B 118 -20.038 -10.007 -7.014 1.00 0.00 C ATOM 869 C VAL B 118 -21.505 -9.667 -7.248 1.00 0.00 C ATOM 870 O VAL B 118 -22.254 -10.462 -7.817 1.00 0.00 O ATOM 871 CB VAL B 118 -19.834 -10.360 -5.528 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.736 -11.518 -5.127 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.375 -10.690 -5.254 1.00 0.00 C ATOM 0 H VAL B 118 -18.496 -8.617 -6.714 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.766 -10.868 -7.625 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.105 -9.493 -4.925 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.579 -11.754 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.778 -11.239 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.498 -12.392 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.250 -10.937 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.074 -11.541 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.754 -9.829 -5.501 1.00 0.00 H new ATOM 883 N PHE B 119 -21.911 -8.481 -6.807 1.00 0.00 N ATOM 884 CA PHE B 119 -23.289 -8.035 -6.969 1.00 0.00 C ATOM 885 C PHE B 119 -23.686 -8.016 -8.441 1.00 0.00 C ATOM 886 O PHE B 119 -24.691 -8.609 -8.833 1.00 0.00 O ATOM 887 CB PHE B 119 -23.472 -6.643 -6.361 1.00 0.00 C ATOM 888 CG PHE B 119 -24.812 -6.443 -5.712 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.069 -6.954 -4.451 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.815 -5.744 -6.365 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.301 -6.772 -3.852 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.049 -5.558 -5.771 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.292 -6.072 -4.512 1.00 0.00 C ATOM 0 H PHE B 119 -21.304 -7.811 -6.334 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.936 -8.740 -6.446 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.690 -6.473 -5.621 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.340 -5.894 -7.142 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.298 -7.501 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.630 -5.340 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.489 -7.177 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.822 -5.012 -6.290 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.255 -5.927 -4.045 1.00 0.00 H new ATOM 903 N ALA B 120 -22.888 -7.330 -9.254 1.00 0.00 N ATOM 904 CA ALA B 120 -23.155 -7.234 -10.684 1.00 0.00 C ATOM 905 C ALA B 120 -23.174 -8.615 -11.333 1.00 0.00 C ATOM 906 O ALA B 120 -23.984 -8.881 -12.220 1.00 0.00 O ATOM 907 CB ALA B 120 -22.117 -6.348 -11.355 1.00 0.00 C ATOM 0 H ALA B 120 -22.052 -6.833 -8.947 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.140 -6.786 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.328 -6.285 -12.423 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.153 -5.350 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.125 -6.773 -11.206 1.00 0.00 H new ATOM 913 N CYS B 121 -22.278 -9.486 -10.884 1.00 0.00 N ATOM 914 CA CYS B 121 -22.192 -10.839 -11.422 1.00 0.00 C ATOM 915 C CYS B 121 -23.517 -11.575 -11.259 1.00 0.00 C ATOM 916 O CYS B 121 -23.984 -12.246 -12.180 1.00 0.00 O ATOM 917 CB CYS B 121 -21.073 -11.616 -10.726 1.00 0.00 C ATOM 918 SG CYS B 121 -19.408 -11.125 -11.230 1.00 0.00 S ATOM 0 H CYS B 121 -21.601 -9.280 -10.149 1.00 0.00 H new ATOM 0 HA CYS B 121 -21.967 -10.767 -12.486 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.169 -11.483 -9.648 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.203 -12.679 -10.928 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.104 -9.989 -10.675 1.00 0.00 H new ATOM 924 N LEU B 122 -24.117 -11.446 -10.081 1.00 0.00 N ATOM 925 CA LEU B 122 -25.390 -12.100 -9.796 1.00 0.00 C ATOM 926 C LEU B 122 -26.503 -11.532 -10.669 1.00 0.00 C ATOM 927 O LEU B 122 -27.346 -12.271 -11.179 1.00 0.00 O ATOM 928 CB LEU B 122 -25.751 -11.935 -8.319 1.00 0.00 C ATOM 929 CG LEU B 122 -25.397 -13.110 -7.406 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.794 -12.808 -5.968 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.073 -14.384 -7.890 1.00 0.00 C ATOM 0 H LEU B 122 -23.743 -10.895 -9.308 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.283 -13.161 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.251 -11.043 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.823 -11.754 -8.246 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.318 -13.259 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.534 -13.655 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.264 -11.920 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.868 -12.632 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -25.810 -15.209 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.154 -14.246 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -25.740 -14.610 -8.903 1.00 0.00 H new ATOM 943 N PHE B 123 -26.499 -10.213 -10.840 1.00 0.00 N ATOM 944 CA PHE B 123 -27.508 -9.545 -11.654 1.00 0.00 C ATOM 945 C PHE B 123 -27.525 -10.110 -13.071 1.00 0.00 C ATOM 946 O PHE B 123 -28.587 -10.390 -13.628 1.00 0.00 O ATOM 947 CB PHE B 123 -27.244 -8.039 -11.696 1.00 0.00 C ATOM 948 CG PHE B 123 -28.281 -7.269 -12.464 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.593 -7.709 -12.512 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.941 -6.107 -13.138 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.550 -7.003 -13.217 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.894 -5.397 -13.844 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.199 -5.846 -13.885 1.00 0.00 C ATOM 0 H PHE B 123 -25.809 -9.587 -10.426 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.482 -9.723 -11.199 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.201 -7.657 -10.676 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.266 -7.862 -12.144 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.872 -8.614 -11.993 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.921 -5.753 -13.111 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.570 -7.356 -13.245 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.618 -4.491 -14.363 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.944 -5.294 -14.438 1.00 0.00 H new ATOM 963 N LEU B 124 -26.341 -10.275 -13.650 1.00 0.00 N ATOM 964 CA LEU B 124 -26.218 -10.806 -15.004 1.00 0.00 C ATOM 965 C LEU B 124 -26.551 -12.293 -15.037 1.00 0.00 C ATOM 966 O LEU B 124 -27.012 -12.814 -16.053 1.00 0.00 O ATOM 967 CB LEU B 124 -24.803 -10.576 -15.537 1.00 0.00 C ATOM 968 CG LEU B 124 -24.507 -9.177 -16.078 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.093 -8.752 -15.716 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.711 -9.134 -17.584 1.00 0.00 C ATOM 0 H LEU B 124 -25.452 -10.049 -13.204 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.929 -10.279 -15.641 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.096 -10.791 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.614 -11.298 -16.331 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.203 -8.476 -15.618 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.901 -7.754 -16.110 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -22.982 -8.742 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.380 -9.455 -16.147 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.496 -8.131 -17.952 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -24.040 -9.848 -18.063 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.743 -9.393 -17.819 1.00 0.00 H new ATOM 982 N SER B 125 -26.317 -12.973 -13.919 1.00 0.00 N ATOM 983 CA SER B 125 -26.591 -14.402 -13.820 1.00 0.00 C ATOM 984 C SER B 125 -28.089 -14.661 -13.696 1.00 0.00 C ATOM 985 O SER B 125 -28.601 -15.664 -14.194 1.00 0.00 O ATOM 986 CB SER B 125 -25.857 -15.002 -12.620 1.00 0.00 C ATOM 987 OG SER B 125 -24.456 -15.012 -12.831 1.00 0.00 O ATOM 0 H SER B 125 -25.938 -12.557 -13.068 1.00 0.00 H new ATOM 0 HA SER B 125 -26.232 -14.879 -14.732 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.089 -14.427 -11.724 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.209 -16.019 -12.446 1.00 0.00 H new ATOM 0 HG SER B 125 -24.092 -14.119 -12.654 1.00 0.00 H new ATOM 993 N THR B 126 -28.788 -13.748 -13.028 1.00 0.00 N ATOM 994 CA THR B 126 -30.227 -13.876 -12.836 1.00 0.00 C ATOM 995 C THR B 126 -30.981 -13.599 -14.131 1.00 0.00 C ATOM 996 O THR B 126 -31.886 -14.345 -14.507 1.00 0.00 O ATOM 997 CB THR B 126 -30.735 -12.917 -11.744 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.034 -13.154 -10.518 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.230 -13.095 -11.521 1.00 0.00 C ATOM 0 H THR B 126 -28.380 -12.911 -12.611 1.00 0.00 H new ATOM 0 HA THR B 126 -30.414 -14.903 -12.523 1.00 0.00 H new ATOM 0 HB THR B 126 -30.551 -11.895 -12.075 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.096 -12.890 -10.621 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.567 -12.407 -10.745 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.764 -12.886 -12.448 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.432 -14.120 -11.210 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.602 -12.522 -14.812 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.243 -12.147 -16.068 1.00 0.00 C ATOM 1009 C LEU B 127 -31.019 -13.215 -17.133 1.00 0.00 C ATOM 1010 O LEU B 127 -31.966 -13.678 -17.771 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.702 -10.801 -16.556 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.780 -9.644 -15.559 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.665 -8.643 -15.815 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.139 -8.964 -15.639 1.00 0.00 C ATOM 0 H LEU B 127 -29.855 -11.894 -14.516 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.315 -12.058 -15.890 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.660 -10.935 -16.846 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.249 -10.517 -17.455 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.655 -10.046 -14.553 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.737 -7.827 -15.096 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.700 -9.138 -15.707 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.758 -8.245 -16.826 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.178 -8.143 -14.923 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.293 -8.575 -16.646 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.921 -9.686 -15.406 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.763 -13.602 -17.321 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.415 -14.618 -18.309 1.00 0.00 C ATOM 1028 C LEU B 128 -30.128 -15.933 -18.012 1.00 0.00 C ATOM 1029 O LEU B 128 -30.622 -16.603 -18.921 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.902 -14.839 -18.331 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.092 -13.853 -19.174 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.602 -14.052 -18.943 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.431 -14.008 -20.649 1.00 0.00 C ATOM 0 H LEU B 128 -28.968 -13.228 -16.803 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.738 -14.264 -19.288 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.534 -14.798 -17.306 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.707 -15.846 -18.699 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.354 -12.841 -18.867 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -25.042 -13.342 -19.551 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.372 -13.889 -17.890 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.323 -15.068 -19.222 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.845 -13.298 -21.233 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -27.198 -15.023 -20.971 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.493 -13.814 -20.801 1.00 0.00 H new