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= 0.405 USER MOD Single : A 25 SER OG : rot 79:sc= 1.13 USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.68 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.445 USER MOD Single : B 125 SER OG : rot 80:sc= 1.01 USER MOD Single : B 126 THR OG1 : rot 66:sc= 0.767 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.526 2.997 -12.202 1.00 0.00 N ATOM 172 CA VAL A 12 -14.975 1.659 -11.835 1.00 0.00 C ATOM 173 C VAL A 12 -16.161 1.721 -10.879 1.00 0.00 C ATOM 174 O VAL A 12 -17.196 1.099 -11.117 1.00 0.00 O ATOM 175 CB VAL A 12 -13.842 0.848 -11.179 1.00 0.00 C ATOM 176 CG1 VAL A 12 -14.335 -0.536 -10.786 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.646 0.752 -12.114 1.00 0.00 C ATOM 0 HA VAL A 12 -15.280 1.163 -12.756 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.525 1.365 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.521 -1.095 -10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.158 -0.441 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.680 -1.065 -11.674 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.855 0.176 -11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.946 0.258 -13.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.280 1.753 -12.340 1.00 0.00 H new ATOM 187 N ALA A 13 -16.004 2.476 -9.797 1.00 0.00 N ATOM 188 CA ALA A 13 -17.062 2.620 -8.806 1.00 0.00 C ATOM 189 C ALA A 13 -18.346 3.137 -9.445 1.00 0.00 C ATOM 190 O ALA A 13 -19.447 2.754 -9.049 1.00 0.00 O ATOM 191 CB ALA A 13 -16.615 3.551 -7.688 1.00 0.00 C ATOM 0 H ALA A 13 -15.154 2.998 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.267 1.636 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.415 3.649 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.729 3.140 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.380 4.531 -8.103 1.00 0.00 H new ATOM 197 N VAL A 14 -18.198 4.010 -10.436 1.00 0.00 N ATOM 198 CA VAL A 14 -19.347 4.580 -11.131 1.00 0.00 C ATOM 199 C VAL A 14 -20.109 3.509 -11.901 1.00 0.00 C ATOM 200 O VAL A 14 -21.303 3.305 -11.684 1.00 0.00 O ATOM 201 CB VAL A 14 -18.916 5.691 -12.108 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.122 6.239 -12.857 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.190 6.802 -11.364 1.00 0.00 C ATOM 0 H VAL A 14 -17.294 4.338 -10.776 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.998 5.008 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.228 5.264 -12.837 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.799 7.023 -13.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.596 5.436 -13.421 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.836 6.652 -12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.893 7.578 -12.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.853 7.230 -10.612 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.304 6.395 -10.877 1.00 0.00 H new ATOM 213 N GLY A 15 -19.412 2.825 -12.803 1.00 0.00 N ATOM 214 CA GLY A 15 -20.039 1.781 -13.592 1.00 0.00 C ATOM 215 C GLY A 15 -20.593 0.660 -12.735 1.00 0.00 C ATOM 216 O GLY A 15 -21.769 0.310 -12.842 1.00 0.00 O ATOM 0 H GLY A 15 -18.423 2.976 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.845 2.213 -14.185 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.311 1.373 -14.293 1.00 0.00 H new ATOM 220 N LEU A 16 -19.744 0.094 -11.884 1.00 0.00 N ATOM 221 CA LEU A 16 -20.154 -0.996 -11.006 1.00 0.00 C ATOM 222 C LEU A 16 -21.405 -0.619 -10.218 1.00 0.00 C ATOM 223 O LEU A 16 -22.392 -1.356 -10.212 1.00 0.00 O ATOM 224 CB LEU A 16 -19.020 -1.356 -10.044 1.00 0.00 C ATOM 225 CG LEU A 16 -18.043 -2.427 -10.529 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.811 -2.468 -9.638 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.720 -3.789 -10.570 1.00 0.00 C ATOM 0 H LEU A 16 -18.768 0.372 -11.784 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.385 -1.862 -11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.455 -0.450 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.460 -1.692 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.727 -2.171 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.127 -3.236 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.313 -1.499 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.109 -2.699 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.009 -4.538 -10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.066 -4.053 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.570 -3.752 -11.251 1.00 0.00 H new ATOM 239 N ALA A 17 -21.356 0.532 -9.557 1.00 0.00 N ATOM 240 CA ALA A 17 -22.487 1.009 -8.769 1.00 0.00 C ATOM 241 C ALA A 17 -23.771 1.001 -9.591 1.00 0.00 C ATOM 242 O ALA A 17 -24.787 0.448 -9.169 1.00 0.00 O ATOM 243 CB ALA A 17 -22.207 2.406 -8.237 1.00 0.00 C ATOM 0 H ALA A 17 -20.546 1.152 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.623 0.332 -7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.059 2.750 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.318 2.384 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.043 3.087 -9.072 1.00 0.00 H new ATOM 249 N VAL A 18 -23.719 1.618 -10.768 1.00 0.00 N ATOM 250 CA VAL A 18 -24.879 1.681 -11.650 1.00 0.00 C ATOM 251 C VAL A 18 -25.477 0.297 -11.871 1.00 0.00 C ATOM 252 O VAL A 18 -26.687 0.106 -11.754 1.00 0.00 O ATOM 253 CB VAL A 18 -24.512 2.294 -13.015 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.727 2.325 -13.929 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.935 3.691 -12.833 1.00 0.00 C ATOM 0 H VAL A 18 -22.886 2.081 -11.132 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.616 2.317 -11.160 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.751 1.669 -13.483 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.449 2.761 -14.889 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -26.092 1.310 -14.084 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.512 2.927 -13.471 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.681 4.110 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.672 4.328 -12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -23.038 3.637 -12.216 1.00 0.00 H new ATOM 265 N PHE A 19 -24.621 -0.668 -12.191 1.00 0.00 N ATOM 266 CA PHE A 19 -25.065 -2.036 -12.429 1.00 0.00 C ATOM 267 C PHE A 19 -25.781 -2.597 -11.204 1.00 0.00 C ATOM 268 O PHE A 19 -26.914 -3.067 -11.295 1.00 0.00 O ATOM 269 CB PHE A 19 -23.874 -2.926 -12.789 1.00 0.00 C ATOM 270 CG PHE A 19 -24.196 -3.972 -13.818 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.270 -3.641 -15.161 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.426 -5.285 -13.442 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.567 -4.601 -16.110 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.722 -6.251 -14.386 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.792 -5.908 -15.722 1.00 0.00 C ATOM 0 H PHE A 19 -23.616 -0.528 -12.291 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.766 -2.023 -13.264 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -23.062 -2.300 -13.160 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.511 -3.416 -11.886 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -24.094 -2.621 -15.470 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.373 -5.558 -12.398 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.623 -4.330 -17.154 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.898 -7.271 -14.079 1.00 0.00 H new ATOM 0 HZ PHE A 19 -25.022 -6.660 -16.462 1.00 0.00 H new ATOM 285 N ALA A 20 -25.110 -2.543 -10.057 1.00 0.00 N ATOM 286 CA ALA A 20 -25.682 -3.043 -8.814 1.00 0.00 C ATOM 287 C ALA A 20 -26.988 -2.330 -8.484 1.00 0.00 C ATOM 288 O ALA A 20 -27.937 -2.946 -7.996 1.00 0.00 O ATOM 289 CB ALA A 20 -24.688 -2.882 -7.673 1.00 0.00 C ATOM 0 H ALA A 20 -24.170 -2.158 -9.964 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.900 -4.103 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.129 -3.260 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.781 -3.443 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.441 -1.827 -7.552 1.00 0.00 H new ATOM 295 N CYS A 21 -27.030 -1.029 -8.751 1.00 0.00 N ATOM 296 CA CYS A 21 -28.222 -0.231 -8.480 1.00 0.00 C ATOM 297 C CYS A 21 -29.428 -0.782 -9.234 1.00 0.00 C ATOM 298 O CYS A 21 -30.527 -0.874 -8.686 1.00 0.00 O ATOM 299 CB CYS A 21 -27.982 1.227 -8.872 1.00 0.00 C ATOM 300 SG CYS A 21 -26.917 2.134 -7.727 1.00 0.00 S ATOM 0 H CYS A 21 -26.254 -0.504 -9.154 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.431 -0.283 -7.411 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.536 1.256 -9.866 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.943 1.737 -8.939 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.677 1.803 -7.933 1.00 0.00 H new ATOM 306 N LEU A 22 -29.215 -1.146 -10.494 1.00 0.00 N ATOM 307 CA LEU A 22 -30.286 -1.688 -11.324 1.00 0.00 C ATOM 308 C LEU A 22 -30.763 -3.034 -10.789 1.00 0.00 C ATOM 309 O LEU A 22 -31.962 -3.308 -10.748 1.00 0.00 O ATOM 310 CB LEU A 22 -29.810 -1.839 -12.770 1.00 0.00 C ATOM 311 CG LEU A 22 -30.050 -0.638 -13.685 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.464 -0.894 -15.065 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.537 -0.332 -13.784 1.00 0.00 C ATOM 0 H LEU A 22 -28.312 -1.076 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.123 -0.991 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.741 -2.054 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.305 -2.707 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.549 0.229 -13.254 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.644 -0.029 -15.703 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.391 -1.064 -14.979 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.937 -1.773 -15.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.689 0.526 -14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -32.060 -1.197 -14.191 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.929 -0.105 -12.792 1.00 0.00 H new ATOM 325 N PHE A 23 -29.815 -3.872 -10.381 1.00 0.00 N ATOM 326 CA PHE A 23 -30.138 -5.189 -9.847 1.00 0.00 C ATOM 327 C PHE A 23 -31.083 -5.077 -8.655 1.00 0.00 C ATOM 328 O PHE A 23 -32.078 -5.798 -8.567 1.00 0.00 O ATOM 329 CB PHE A 23 -28.860 -5.922 -9.431 1.00 0.00 C ATOM 330 CG PHE A 23 -29.101 -7.328 -8.963 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.149 -8.074 -9.475 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.278 -7.905 -8.008 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.373 -9.368 -9.045 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.497 -9.198 -7.573 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.545 -9.931 -8.094 1.00 0.00 C ATOM 0 H PHE A 23 -28.817 -3.662 -10.410 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.637 -5.758 -10.631 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.171 -5.942 -10.275 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.372 -5.361 -8.634 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.799 -7.639 -10.220 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.456 -7.337 -7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.195 -9.938 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.850 -9.635 -6.827 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.717 -10.943 -7.758 1.00 0.00 H new ATOM 345 N LEU A 24 -30.766 -4.169 -7.739 1.00 0.00 N ATOM 346 CA LEU A 24 -31.586 -3.961 -6.551 1.00 0.00 C ATOM 347 C LEU A 24 -32.911 -3.298 -6.913 1.00 0.00 C ATOM 348 O LEU A 24 -33.914 -3.475 -6.223 1.00 0.00 O ATOM 349 CB LEU A 24 -30.834 -3.103 -5.532 1.00 0.00 C ATOM 350 CG LEU A 24 -29.799 -3.832 -4.674 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.574 -2.959 -4.459 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.406 -4.243 -3.340 1.00 0.00 C ATOM 0 H LEU A 24 -29.946 -3.565 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.797 -4.935 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.331 -2.297 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.564 -2.639 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.488 -4.734 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.849 -3.494 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.126 -2.717 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.867 -2.039 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.655 -4.760 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.746 -3.356 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.252 -4.908 -3.515 1.00 0.00 H new ATOM 364 N SER A 25 -32.905 -2.532 -7.999 1.00 0.00 N ATOM 365 CA SER A 25 -34.106 -1.840 -8.453 1.00 0.00 C ATOM 366 C SER A 25 -35.077 -2.813 -9.116 1.00 0.00 C ATOM 367 O SER A 25 -36.294 -2.673 -8.997 1.00 0.00 O ATOM 368 CB SER A 25 -33.739 -0.723 -9.431 1.00 0.00 C ATOM 369 OG SER A 25 -33.028 0.314 -8.777 1.00 0.00 O ATOM 0 H SER A 25 -32.082 -2.375 -8.581 1.00 0.00 H new ATOM 0 HA SER A 25 -34.594 -1.404 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.133 -1.129 -10.241 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.645 -0.318 -9.883 1.00 0.00 H new ATOM 0 HG SER A 25 -32.093 0.046 -8.660 1.00 0.00 H new ATOM 375 N THR A 26 -34.528 -3.801 -9.817 1.00 0.00 N ATOM 376 CA THR A 26 -35.343 -4.797 -10.500 1.00 0.00 C ATOM 377 C THR A 26 -35.992 -5.753 -9.507 1.00 0.00 C ATOM 378 O THR A 26 -37.185 -6.045 -9.598 1.00 0.00 O ATOM 379 CB THR A 26 -34.508 -5.611 -11.507 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.865 -4.730 -12.435 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.384 -6.599 -12.262 1.00 0.00 C ATOM 0 H THR A 26 -33.522 -3.932 -9.926 1.00 0.00 H new ATOM 0 HA THR A 26 -36.120 -4.254 -11.037 1.00 0.00 H new ATOM 0 HB THR A 26 -33.753 -6.169 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.183 -4.204 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.773 -7.162 -12.967 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.849 -7.286 -11.556 1.00 0.00 H new ATOM 0 HG23 THR A 26 -36.158 -6.057 -12.805 1.00 0.00 H new ATOM 389 N LEU A 27 -35.201 -6.237 -8.555 1.00 0.00 N ATOM 390 CA LEU A 27 -35.700 -7.161 -7.542 1.00 0.00 C ATOM 391 C LEU A 27 -36.762 -6.494 -6.674 1.00 0.00 C ATOM 392 O LEU A 27 -37.850 -7.038 -6.479 1.00 0.00 O ATOM 393 CB LEU A 27 -34.548 -7.658 -6.666 1.00 0.00 C ATOM 394 CG LEU A 27 -33.367 -8.288 -7.406 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.089 -8.139 -6.595 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.645 -9.754 -7.703 1.00 0.00 C ATOM 0 H LEU A 27 -34.212 -6.005 -8.463 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.154 -8.011 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.177 -6.819 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.943 -8.391 -5.962 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.235 -7.765 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.259 -8.593 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.882 -7.081 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.209 -8.636 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.794 -10.186 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.804 -10.291 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.537 -9.837 -8.325 1.00 0.00 H new ATOM 408 N LEU A 28 -36.441 -5.314 -6.157 1.00 0.00 N ATOM 409 CA LEU A 28 -37.369 -4.572 -5.310 1.00 0.00 C ATOM 410 C LEU A 28 -38.672 -4.287 -6.050 1.00 0.00 C ATOM 411 O LEU A 28 -39.759 -4.415 -5.485 1.00 0.00 O ATOM 412 CB LEU A 28 -36.733 -3.258 -4.852 1.00 0.00 C ATOM 413 CG LEU A 28 -35.937 -3.316 -3.548 1.00 0.00 C ATOM 414 CD1 LEU A 28 -34.870 -2.233 -3.524 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.865 -3.178 -2.350 1.00 0.00 C ATOM 0 H LEU A 28 -35.546 -4.850 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.594 -5.184 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.072 -2.903 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.523 -2.515 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.443 -4.286 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.314 -2.291 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.187 -2.377 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.343 -1.254 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -36.281 -3.222 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.388 -2.223 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.592 -3.990 -2.357 1.00 0.00 H new ATOM 427 N LEU A 29 -38.556 -3.905 -7.317 1.00 0.00 N ATOM 428 CA LEU A 29 -39.726 -3.605 -8.136 1.00 0.00 C ATOM 429 C LEU A 29 -40.620 -4.833 -8.277 1.00 0.00 C ATOM 430 O LEU A 29 -41.829 -4.760 -8.062 1.00 0.00 O ATOM 431 CB LEU A 29 -39.292 -3.113 -9.518 1.00 0.00 C ATOM 432 CG LEU A 29 -39.076 -1.606 -9.657 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.322 -1.291 -10.939 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.407 -0.871 -9.623 1.00 0.00 C ATOM 0 H LEU A 29 -37.664 -3.796 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.296 -2.819 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.365 -3.619 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -40.045 -3.420 -10.244 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.475 -1.265 -8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -38.178 -0.214 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.352 -1.787 -10.922 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -38.896 -1.646 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.234 0.200 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -41.034 -1.216 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -40.909 -1.070 -8.676 1.00 0.00 H new ATOM 446 N VAL A 30 -40.016 -5.960 -8.640 1.00 0.00 N ATOM 447 CA VAL A 30 -40.757 -7.204 -8.807 1.00 0.00 C ATOM 448 C VAL A 30 -41.479 -7.592 -7.521 1.00 0.00 C ATOM 449 O VAL A 30 -42.697 -7.771 -7.509 1.00 0.00 O ATOM 450 CB VAL A 30 -39.828 -8.358 -9.229 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.613 -9.655 -9.363 1.00 0.00 C ATOM 452 CG2 VAL A 30 -39.116 -8.020 -10.530 1.00 0.00 C ATOM 0 H VAL A 30 -39.016 -6.037 -8.824 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.491 -7.031 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 30 -39.074 -8.496 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -39.940 -10.459 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -41.072 -9.903 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -41.390 -9.534 -10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.464 -8.846 -10.813 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.853 -7.854 -11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.520 -7.117 -10.395 1.00 0.00 H new ATOM 462 N LEU A 31 -40.719 -7.719 -6.438 1.00 0.00 N ATOM 463 CA LEU A 31 -41.285 -8.085 -5.145 1.00 0.00 C ATOM 464 C LEU A 31 -42.455 -7.174 -4.786 1.00 0.00 C ATOM 465 O LEU A 31 -43.548 -7.646 -4.473 1.00 0.00 O ATOM 466 CB LEU A 31 -40.213 -8.009 -4.056 1.00 0.00 C ATOM 467 CG LEU A 31 -39.322 -9.242 -3.906 1.00 0.00 C ATOM 468 CD1 LEU A 31 -37.998 -8.867 -3.259 1.00 0.00 C ATOM 469 CD2 LEU A 31 -40.030 -10.315 -3.092 1.00 0.00 C ATOM 0 H LEU A 31 -39.709 -7.574 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.652 -9.109 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.577 -7.148 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.705 -7.823 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 31 -39.118 -9.643 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.376 -9.757 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.485 -8.133 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.183 -8.442 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -39.381 -11.186 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -40.264 -9.925 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.952 -10.604 -3.595 1.00 0.00 H new ATOM 789 N VAL B 112 -14.057 -3.077 -2.356 1.00 0.00 N ATOM 790 CA VAL B 112 -14.966 -2.316 -3.205 1.00 0.00 C ATOM 791 C VAL B 112 -15.176 -3.011 -4.546 1.00 0.00 C ATOM 792 O VAL B 112 -16.304 -3.314 -4.930 1.00 0.00 O ATOM 793 CB VAL B 112 -14.441 -0.890 -3.453 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.393 -0.120 -4.357 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.238 -0.160 -2.135 1.00 0.00 C ATOM 0 HA VAL B 112 -15.918 -2.257 -2.677 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.476 -0.959 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.006 0.886 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.483 -0.635 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.373 -0.058 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -13.867 0.846 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.187 -0.100 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.514 -0.702 -1.526 1.00 0.00 H new ATOM 805 N ALA B 113 -14.079 -3.259 -5.255 1.00 0.00 N ATOM 806 CA ALA B 113 -14.141 -3.920 -6.552 1.00 0.00 C ATOM 807 C ALA B 113 -14.673 -5.343 -6.419 1.00 0.00 C ATOM 808 O ALA B 113 -15.418 -5.821 -7.275 1.00 0.00 O ATOM 809 CB ALA B 113 -12.769 -3.927 -7.208 1.00 0.00 C ATOM 0 H ALA B 113 -13.137 -3.012 -4.952 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.830 -3.360 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.831 -4.424 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.427 -2.901 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.064 -4.461 -6.571 1.00 0.00 H new ATOM 815 N VAL B 114 -14.286 -6.016 -5.339 1.00 0.00 N ATOM 816 CA VAL B 114 -14.725 -7.385 -5.094 1.00 0.00 C ATOM 817 C VAL B 114 -16.226 -7.443 -4.837 1.00 0.00 C ATOM 818 O VAL B 114 -16.957 -8.156 -5.523 1.00 0.00 O ATOM 819 CB VAL B 114 -13.985 -8.004 -3.894 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.479 -9.418 -3.633 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.482 -7.989 -4.129 1.00 0.00 C ATOM 0 H VAL B 114 -13.670 -5.635 -4.621 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.491 -7.958 -5.991 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.197 -7.403 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -13.944 -9.839 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.547 -9.396 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.300 -10.034 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -11.975 -8.430 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.248 -8.565 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.145 -6.961 -4.261 1.00 0.00 H new ATOM 831 N GLY B 115 -16.681 -6.685 -3.844 1.00 0.00 N ATOM 832 CA GLY B 115 -18.094 -6.665 -3.513 1.00 0.00 C ATOM 833 C GLY B 115 -18.958 -6.251 -4.688 1.00 0.00 C ATOM 834 O GLY B 115 -19.896 -6.959 -5.059 1.00 0.00 O ATOM 0 H GLY B 115 -16.096 -6.084 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.399 -7.655 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.260 -5.978 -2.684 1.00 0.00 H new ATOM 838 N LEU B 116 -18.645 -5.101 -5.275 1.00 0.00 N ATOM 839 CA LEU B 116 -19.400 -4.592 -6.414 1.00 0.00 C ATOM 840 C LEU B 116 -19.506 -5.646 -7.512 1.00 0.00 C ATOM 841 O LEU B 116 -20.599 -5.954 -7.986 1.00 0.00 O ATOM 842 CB LEU B 116 -18.739 -3.328 -6.967 1.00 0.00 C ATOM 843 CG LEU B 116 -19.201 -2.006 -6.354 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.251 -0.881 -6.735 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.621 -1.682 -6.796 1.00 0.00 C ATOM 0 H LEU B 116 -17.873 -4.503 -4.980 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.406 -4.348 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.662 -3.414 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.918 -3.289 -8.042 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.194 -2.107 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.595 0.052 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.250 -1.110 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.226 -0.778 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.934 -0.738 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.654 -1.599 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.293 -2.477 -6.472 1.00 0.00 H new ATOM 857 N ALA B 117 -18.364 -6.197 -7.908 1.00 0.00 N ATOM 858 CA ALA B 117 -18.328 -7.219 -8.947 1.00 0.00 C ATOM 859 C ALA B 117 -19.304 -8.349 -8.637 1.00 0.00 C ATOM 860 O ALA B 117 -20.128 -8.719 -9.474 1.00 0.00 O ATOM 861 CB ALA B 117 -16.917 -7.766 -9.101 1.00 0.00 C ATOM 0 H ALA B 117 -17.451 -5.953 -7.525 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.631 -6.758 -9.887 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.905 -8.528 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.241 -6.956 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.592 -8.206 -8.158 1.00 0.00 H new ATOM 867 N VAL B 118 -19.206 -8.897 -7.429 1.00 0.00 N ATOM 868 CA VAL B 118 -20.080 -9.985 -7.009 1.00 0.00 C ATOM 869 C VAL B 118 -21.545 -9.637 -7.252 1.00 0.00 C ATOM 870 O VAL B 118 -22.298 -10.432 -7.815 1.00 0.00 O ATOM 871 CB VAL B 118 -19.883 -10.320 -5.519 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.823 -11.438 -5.094 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.435 -10.697 -5.245 1.00 0.00 C ATOM 0 H VAL B 118 -18.529 -8.604 -6.724 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.812 -10.856 -7.607 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.122 -9.434 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.669 -11.661 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.855 -11.125 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.619 -12.330 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.314 -10.931 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.167 -11.568 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.786 -9.862 -5.509 1.00 0.00 H new ATOM 883 N PHE B 119 -21.943 -8.444 -6.821 1.00 0.00 N ATOM 884 CA PHE B 119 -23.319 -7.992 -6.990 1.00 0.00 C ATOM 885 C PHE B 119 -23.713 -7.985 -8.465 1.00 0.00 C ATOM 886 O PHE B 119 -24.723 -8.571 -8.851 1.00 0.00 O ATOM 887 CB PHE B 119 -23.494 -6.592 -6.398 1.00 0.00 C ATOM 888 CG PHE B 119 -24.828 -6.379 -5.743 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.067 -6.844 -4.459 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.845 -5.716 -6.410 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.295 -6.651 -3.855 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.075 -5.520 -5.811 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.300 -5.987 -4.530 1.00 0.00 C ATOM 0 H PHE B 119 -21.333 -7.774 -6.353 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.971 -8.688 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.707 -6.415 -5.665 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.365 -5.853 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.285 -7.363 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.675 -5.348 -7.411 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.469 -7.020 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.859 -5.003 -6.343 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.259 -5.833 -4.058 1.00 0.00 H new ATOM 903 N ALA B 120 -22.905 -7.318 -9.283 1.00 0.00 N ATOM 904 CA ALA B 120 -23.168 -7.236 -10.715 1.00 0.00 C ATOM 905 C ALA B 120 -23.203 -8.622 -11.346 1.00 0.00 C ATOM 906 O ALA B 120 -24.016 -8.890 -12.232 1.00 0.00 O ATOM 907 CB ALA B 120 -22.116 -6.370 -11.394 1.00 0.00 C ATOM 0 H ALA B 120 -22.064 -6.827 -8.979 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.147 -6.778 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.323 -6.317 -12.463 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.141 -5.367 -10.969 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.129 -6.806 -11.237 1.00 0.00 H new ATOM 913 N CYS B 121 -22.316 -9.499 -10.888 1.00 0.00 N ATOM 914 CA CYS B 121 -22.246 -10.859 -11.410 1.00 0.00 C ATOM 915 C CYS B 121 -23.580 -11.579 -11.236 1.00 0.00 C ATOM 916 O CYS B 121 -24.055 -12.258 -12.147 1.00 0.00 O ATOM 917 CB CYS B 121 -21.136 -11.641 -10.707 1.00 0.00 C ATOM 918 SG CYS B 121 -19.465 -11.167 -11.212 1.00 0.00 S ATOM 0 H CYS B 121 -21.636 -9.292 -10.157 1.00 0.00 H new ATOM 0 HA CYS B 121 -22.022 -10.801 -12.475 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.232 -11.500 -9.631 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.275 -12.704 -10.903 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.154 -10.028 -10.669 1.00 0.00 H new ATOM 924 N LEU B 122 -24.179 -11.426 -10.060 1.00 0.00 N ATOM 925 CA LEU B 122 -25.458 -12.062 -9.766 1.00 0.00 C ATOM 926 C LEU B 122 -26.565 -11.494 -10.647 1.00 0.00 C ATOM 927 O LEU B 122 -27.418 -12.230 -11.142 1.00 0.00 O ATOM 928 CB LEU B 122 -25.816 -11.873 -8.291 1.00 0.00 C ATOM 929 CG LEU B 122 -25.470 -13.036 -7.360 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.476 -12.579 -5.910 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.442 -14.188 -7.563 1.00 0.00 C ATOM 0 H LEU B 122 -23.800 -10.868 -9.295 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.363 -13.127 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.309 -10.979 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.887 -11.683 -8.220 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.467 -13.386 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.228 -13.420 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -24.739 -11.787 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.465 -12.202 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -26.181 -15.007 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.456 -13.851 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -26.387 -14.533 -8.596 1.00 0.00 H new ATOM 943 N PHE B 123 -26.544 -10.179 -10.841 1.00 0.00 N ATOM 944 CA PHE B 123 -27.545 -9.511 -11.664 1.00 0.00 C ATOM 945 C PHE B 123 -27.571 -10.098 -13.072 1.00 0.00 C ATOM 946 O PHE B 123 -28.635 -10.404 -13.611 1.00 0.00 O ATOM 947 CB PHE B 123 -27.262 -8.009 -11.730 1.00 0.00 C ATOM 948 CG PHE B 123 -28.289 -7.239 -12.511 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.601 -7.679 -12.578 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.941 -6.077 -13.179 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.547 -6.974 -13.297 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.884 -5.367 -13.900 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.188 -5.815 -13.958 1.00 0.00 C ATOM 0 H PHE B 123 -25.844 -9.555 -10.439 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.521 -9.670 -11.205 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.215 -7.611 -10.716 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.282 -7.851 -12.180 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.888 -8.584 -12.062 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.922 -5.721 -13.137 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.566 -7.329 -13.342 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.600 -4.463 -14.417 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.926 -5.261 -14.519 1.00 0.00 H new ATOM 963 N LEU B 124 -26.391 -10.252 -13.664 1.00 0.00 N ATOM 964 CA LEU B 124 -26.277 -10.802 -15.010 1.00 0.00 C ATOM 965 C LEU B 124 -26.616 -12.288 -15.022 1.00 0.00 C ATOM 966 O LEU B 124 -27.078 -12.821 -16.031 1.00 0.00 O ATOM 967 CB LEU B 124 -24.863 -10.585 -15.552 1.00 0.00 C ATOM 968 CG LEU B 124 -24.563 -9.192 -16.108 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.151 -8.764 -15.741 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.754 -9.170 -17.618 1.00 0.00 C ATOM 0 H LEU B 124 -25.500 -10.004 -13.233 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.989 -10.281 -15.650 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.153 -10.796 -14.752 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.682 -11.316 -16.340 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.262 -8.484 -15.662 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.955 -7.771 -16.145 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -23.048 -8.741 -14.656 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.436 -9.473 -16.159 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.537 -8.172 -17.998 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -24.078 -9.889 -18.081 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.784 -9.433 -17.858 1.00 0.00 H new ATOM 982 N SER B 125 -26.386 -12.952 -13.894 1.00 0.00 N ATOM 983 CA SER B 125 -26.665 -14.379 -13.775 1.00 0.00 C ATOM 984 C SER B 125 -28.165 -14.630 -13.656 1.00 0.00 C ATOM 985 O SER B 125 -28.679 -15.635 -14.146 1.00 0.00 O ATOM 986 CB SER B 125 -25.941 -14.962 -12.561 1.00 0.00 C ATOM 987 OG SER B 125 -24.536 -14.950 -12.750 1.00 0.00 O ATOM 0 H SER B 125 -26.007 -12.525 -13.049 1.00 0.00 H new ATOM 0 HA SER B 125 -26.302 -14.872 -14.677 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.196 -14.387 -11.671 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.279 -15.984 -12.388 1.00 0.00 H new ATOM 0 HG SER B 125 -24.188 -14.054 -12.560 1.00 0.00 H new ATOM 993 N THR B 126 -28.863 -13.707 -13.000 1.00 0.00 N ATOM 994 CA THR B 126 -30.303 -13.828 -12.814 1.00 0.00 C ATOM 995 C THR B 126 -31.050 -13.560 -14.116 1.00 0.00 C ATOM 996 O THR B 126 -31.963 -14.301 -14.483 1.00 0.00 O ATOM 997 CB THR B 126 -30.814 -12.855 -11.734 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.107 -13.070 -10.507 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.307 -13.036 -11.504 1.00 0.00 C ATOM 0 H THR B 126 -28.454 -12.868 -12.589 1.00 0.00 H new ATOM 0 HA THR B 126 -30.495 -14.851 -12.491 1.00 0.00 H new ATOM 0 HB THR B 126 -30.638 -11.837 -12.081 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.165 -12.827 -10.625 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.644 -12.338 -10.737 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.844 -12.843 -12.432 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.504 -14.057 -11.177 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.655 -12.500 -14.812 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.288 -12.135 -16.074 1.00 0.00 C ATOM 1009 C LEU B 127 -31.077 -13.223 -17.123 1.00 0.00 C ATOM 1010 O LEU B 127 -32.030 -13.692 -17.747 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.727 -10.806 -16.583 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.799 -9.630 -15.608 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.686 -8.633 -15.889 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.159 -8.951 -15.691 1.00 0.00 C ATOM 0 H LEU B 127 -29.899 -11.878 -14.524 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.358 -12.027 -15.898 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.684 -10.958 -16.862 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.263 -10.532 -17.492 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.667 -10.014 -14.596 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.754 -7.804 -15.185 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.720 -9.125 -15.777 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.785 -8.254 -16.906 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.192 -8.117 -14.990 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.320 -8.581 -16.704 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.940 -9.668 -15.438 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.823 -13.621 -17.311 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.487 -14.656 -18.282 1.00 0.00 C ATOM 1028 C LEU B 128 -30.206 -15.961 -17.958 1.00 0.00 C ATOM 1029 O LEU B 128 -30.701 -16.648 -18.852 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.975 -14.886 -18.309 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.181 -14.021 -19.289 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.749 -13.848 -18.810 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.209 -14.633 -20.682 1.00 0.00 C ATOM 0 H LEU B 128 -29.023 -13.243 -16.804 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.814 -14.317 -19.265 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.584 -14.715 -17.306 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.791 -15.933 -18.549 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.647 -13.037 -19.336 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -25.200 -13.230 -19.520 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.748 -13.366 -17.833 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.271 -14.824 -18.733 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.639 -14.005 -21.367 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -26.767 -15.629 -20.651 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.240 -14.704 -21.028 1.00 0.00 H new