USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 291 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 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 74:sc= -1.64! USER MOD Single : A 92 SER OG : rot 75:sc= 0.169 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -161:sc= -0.0732 (180deg=-0.841) USER MOD Single : B 87 THR OG1 : rot -30:sc= -1.65 USER MOD ----------------------------------------------------------------- ATOM 207 N LEU A 75 -13.606 -1.662 2.630 1.00 0.72 N ATOM 208 CA LEU A 75 -12.636 -2.224 3.616 1.00 0.69 C ATOM 209 C LEU A 75 -11.456 -2.849 2.873 1.00 0.58 C ATOM 210 O LEU A 75 -10.313 -2.604 3.202 1.00 0.50 O ATOM 211 CB LEU A 75 -13.319 -3.295 4.474 1.00 0.82 C ATOM 212 CG LEU A 75 -12.598 -3.415 5.821 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.023 -4.712 6.513 1.00 0.87 C ATOM 214 CD2 LEU A 75 -11.083 -3.435 5.597 1.00 1.02 C ATOM 0 HA LEU A 75 -12.281 -1.420 4.261 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.366 -3.035 4.633 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.304 -4.254 3.956 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.861 -2.562 6.446 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.511 -4.798 7.471 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.100 -4.700 6.678 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.761 -5.563 5.884 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.574 -3.520 6.557 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.819 -4.286 4.970 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.776 -2.512 5.104 1.00 1.02 H new ATOM 226 N ILE A 76 -11.709 -3.646 1.869 1.00 0.62 N ATOM 227 CA ILE A 76 -10.571 -4.253 1.128 1.00 0.57 C ATOM 228 C ILE A 76 -9.687 -3.123 0.601 1.00 0.45 C ATOM 229 O ILE A 76 -8.483 -3.129 0.769 1.00 0.38 O ATOM 230 CB ILE A 76 -11.098 -5.090 -0.041 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.897 -6.276 0.505 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.920 -5.608 -0.868 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.723 -6.898 -0.623 1.00 1.10 C ATOM 0 H ILE A 76 -12.639 -3.899 1.536 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.997 -4.903 1.788 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.741 -4.475 -0.670 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.221 -7.020 0.928 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.553 -5.946 1.311 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.294 -6.204 -1.700 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.348 -4.765 -1.254 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.278 -6.225 -0.240 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.292 -7.743 -0.234 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.409 -6.153 -1.025 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.057 -7.243 -1.414 1.00 1.10 H new ATOM 245 N ILE A 77 -10.285 -2.134 -0.007 1.00 0.44 N ATOM 246 CA ILE A 77 -9.493 -0.981 -0.513 1.00 0.36 C ATOM 247 C ILE A 77 -8.731 -0.361 0.657 1.00 0.28 C ATOM 248 O ILE A 77 -7.551 -0.082 0.572 1.00 0.25 O ATOM 249 CB ILE A 77 -10.433 0.062 -1.120 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.021 -0.481 -2.424 1.00 1.21 C ATOM 251 CG2 ILE A 77 -9.652 1.345 -1.408 1.00 1.18 C ATOM 252 CD1 ILE A 77 -12.063 0.502 -2.961 1.00 1.58 C ATOM 0 H ILE A 77 -11.290 -2.077 -0.174 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.794 -1.318 -1.278 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.240 0.277 -0.419 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.230 -0.627 -3.159 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.479 -1.455 -2.251 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.321 2.089 -1.841 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.232 1.731 -0.479 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -8.846 1.130 -2.110 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -12.482 0.116 -3.890 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -12.859 0.625 -2.227 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.591 1.466 -3.149 1.00 1.58 H new ATOM 264 N PHE A 78 -9.410 -0.140 1.752 1.00 0.31 N ATOM 265 CA PHE A 78 -8.745 0.465 2.939 1.00 0.32 C ATOM 266 C PHE A 78 -7.553 -0.397 3.349 1.00 0.30 C ATOM 267 O PHE A 78 -6.472 0.100 3.587 1.00 0.30 O ATOM 268 CB PHE A 78 -9.735 0.548 4.105 1.00 0.41 C ATOM 269 CG PHE A 78 -10.515 1.838 4.015 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.971 2.298 2.773 1.00 1.52 C ATOM 271 CD2 PHE A 78 -10.780 2.577 5.174 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.693 3.495 2.691 1.00 1.97 C ATOM 273 CE2 PHE A 78 -11.502 3.774 5.093 1.00 2.09 C ATOM 274 CZ PHE A 78 -11.958 4.233 3.851 1.00 1.95 C ATOM 0 H PHE A 78 -10.400 -0.354 1.874 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.403 1.468 2.685 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.416 -0.303 4.079 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.200 0.500 5.054 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.766 1.729 1.878 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -10.427 2.224 6.132 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -12.045 3.849 1.733 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -11.707 4.343 5.988 1.00 2.09 H new ATOM 0 HZ PHE A 78 -12.514 5.157 3.788 1.00 1.95 H new ATOM 284 N GLY A 79 -7.735 -1.687 3.434 1.00 0.31 N ATOM 285 CA GLY A 79 -6.595 -2.561 3.830 1.00 0.32 C ATOM 286 C GLY A 79 -5.437 -2.341 2.855 1.00 0.26 C ATOM 287 O GLY A 79 -4.306 -2.146 3.255 1.00 0.26 O ATOM 0 H GLY A 79 -8.614 -2.169 3.248 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.279 -2.330 4.848 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.902 -3.607 3.821 1.00 0.32 H new ATOM 291 N VAL A 80 -5.709 -2.350 1.576 1.00 0.23 N ATOM 292 CA VAL A 80 -4.619 -2.119 0.588 1.00 0.22 C ATOM 293 C VAL A 80 -3.968 -0.767 0.883 1.00 0.21 C ATOM 294 O VAL A 80 -2.761 -0.643 0.955 1.00 0.22 O ATOM 295 CB VAL A 80 -5.206 -2.117 -0.824 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.090 -1.884 -1.844 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.868 -3.471 -1.094 1.00 0.28 C ATOM 0 H VAL A 80 -6.634 -2.507 1.176 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.872 -2.909 0.661 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.945 -1.321 -0.911 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.511 -1.883 -2.850 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.614 -0.923 -1.649 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.350 -2.680 -1.761 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.289 -3.476 -2.100 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.124 -4.263 -1.008 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.663 -3.639 -0.367 1.00 0.28 H new ATOM 307 N MET A 81 -4.771 0.245 1.072 1.00 0.22 N ATOM 308 CA MET A 81 -4.221 1.592 1.384 1.00 0.25 C ATOM 309 C MET A 81 -3.359 1.509 2.644 1.00 0.27 C ATOM 310 O MET A 81 -2.259 2.024 2.694 1.00 0.28 O ATOM 311 CB MET A 81 -5.374 2.571 1.612 1.00 0.29 C ATOM 312 CG MET A 81 -6.041 2.891 0.273 1.00 0.36 C ATOM 313 SD MET A 81 -6.758 4.551 0.334 1.00 1.07 S ATOM 314 CE MET A 81 -6.624 4.920 -1.433 1.00 1.70 C ATOM 0 H MET A 81 -5.789 0.195 1.023 1.00 0.22 H new ATOM 0 HA MET A 81 -3.610 1.941 0.551 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.102 2.139 2.299 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.003 3.486 2.074 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.310 2.829 -0.533 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.817 2.156 0.057 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.017 5.918 -1.627 1.00 1.70 H new ATOM 0 HE2 MET A 81 -5.578 4.877 -1.735 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.197 4.188 -2.002 1.00 1.70 H new ATOM 324 N ALA A 82 -3.858 0.869 3.667 1.00 0.28 N ATOM 325 CA ALA A 82 -3.081 0.755 4.931 1.00 0.32 C ATOM 326 C ALA A 82 -1.724 0.099 4.647 1.00 0.30 C ATOM 327 O ALA A 82 -0.700 0.573 5.098 1.00 0.30 O ATOM 328 CB ALA A 82 -3.870 -0.065 5.963 1.00 0.37 C ATOM 0 H ALA A 82 -4.773 0.419 3.680 1.00 0.28 H new ATOM 0 HA ALA A 82 -2.911 1.751 5.339 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.293 -0.143 6.884 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.820 0.428 6.170 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.058 -1.063 5.568 1.00 0.37 H new ATOM 334 N GLY A 83 -1.691 -0.980 3.903 1.00 0.28 N ATOM 335 CA GLY A 83 -0.379 -1.621 3.613 1.00 0.27 C ATOM 336 C GLY A 83 0.534 -0.592 2.950 1.00 0.23 C ATOM 337 O GLY A 83 1.676 -0.420 3.330 1.00 0.23 O ATOM 0 H GLY A 83 -2.505 -1.436 3.491 1.00 0.28 H new ATOM 0 HA2 GLY A 83 0.073 -1.989 4.534 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.516 -2.482 2.959 1.00 0.27 H new ATOM 341 N VAL A 84 0.032 0.108 1.967 1.00 0.21 N ATOM 342 CA VAL A 84 0.868 1.138 1.292 1.00 0.19 C ATOM 343 C VAL A 84 1.359 2.152 2.330 1.00 0.20 C ATOM 344 O VAL A 84 2.523 2.501 2.368 1.00 0.19 O ATOM 345 CB VAL A 84 0.035 1.858 0.229 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.809 3.071 -0.291 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.249 0.901 -0.931 1.00 0.27 C ATOM 0 H VAL A 84 -0.917 0.010 1.605 1.00 0.21 H new ATOM 0 HA VAL A 84 1.724 0.658 0.817 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.906 2.188 0.668 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.216 3.584 -1.048 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.013 3.754 0.534 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.751 2.741 -0.730 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.842 1.413 -1.688 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.693 0.571 -1.370 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.800 0.036 -0.562 1.00 0.27 H new ATOM 357 N ILE A 85 0.479 2.631 3.171 1.00 0.23 N ATOM 358 CA ILE A 85 0.892 3.624 4.203 1.00 0.27 C ATOM 359 C ILE A 85 2.016 3.046 5.067 1.00 0.27 C ATOM 360 O ILE A 85 3.012 3.696 5.316 1.00 0.28 O ATOM 361 CB ILE A 85 -0.306 3.960 5.094 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.432 4.544 4.235 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.113 4.986 6.149 1.00 0.75 C ATOM 364 CD1 ILE A 85 -1.056 5.958 3.789 1.00 1.20 C ATOM 0 H ILE A 85 -0.508 2.376 3.186 1.00 0.23 H new ATOM 0 HA ILE A 85 1.249 4.526 3.706 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.656 3.054 5.588 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.605 3.911 3.365 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -2.362 4.566 4.803 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.741 5.225 6.783 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.915 4.572 6.760 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.464 5.893 5.656 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.858 6.372 3.178 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -0.905 6.588 4.666 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -0.136 5.923 3.205 1.00 1.20 H new ATOM 376 N GLY A 86 1.871 1.833 5.531 1.00 0.29 N ATOM 377 CA GLY A 86 2.941 1.238 6.378 1.00 0.33 C ATOM 378 C GLY A 86 4.260 1.251 5.608 1.00 0.30 C ATOM 379 O GLY A 86 5.284 1.659 6.119 1.00 0.33 O ATOM 0 H GLY A 86 1.063 1.234 5.361 1.00 0.29 H new ATOM 0 HA2 GLY A 86 3.042 1.802 7.305 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.677 0.217 6.653 1.00 0.33 H new ATOM 383 N THR A 87 4.243 0.820 4.376 1.00 0.25 N ATOM 384 CA THR A 87 5.498 0.823 3.575 1.00 0.25 C ATOM 385 C THR A 87 6.053 2.246 3.522 1.00 0.26 C ATOM 386 O THR A 87 7.226 2.478 3.740 1.00 0.32 O ATOM 387 CB THR A 87 5.204 0.336 2.155 1.00 0.24 C ATOM 388 OG1 THR A 87 4.669 -0.979 2.208 1.00 0.34 O ATOM 389 CG2 THR A 87 6.499 0.334 1.340 1.00 0.31 C ATOM 0 H THR A 87 3.417 0.467 3.892 1.00 0.25 H new ATOM 0 HA THR A 87 6.229 0.159 4.037 1.00 0.25 H new ATOM 0 HB THR A 87 4.481 1.001 1.682 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.743 -0.943 2.526 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.291 -0.013 0.328 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.906 1.344 1.301 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.224 -0.331 1.810 1.00 0.31 H new ATOM 397 N ILE A 88 5.211 3.202 3.234 1.00 0.24 N ATOM 398 CA ILE A 88 5.675 4.616 3.167 1.00 0.33 C ATOM 399 C ILE A 88 6.312 5.006 4.501 1.00 0.39 C ATOM 400 O ILE A 88 7.381 5.582 4.544 1.00 0.47 O ATOM 401 CB ILE A 88 4.481 5.528 2.881 1.00 0.37 C ATOM 402 CG1 ILE A 88 3.955 5.246 1.471 1.00 0.39 C ATOM 403 CG2 ILE A 88 4.920 6.991 2.977 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.847 6.244 1.129 1.00 0.49 C ATOM 0 H ILE A 88 4.219 3.063 3.042 1.00 0.24 H new ATOM 0 HA ILE A 88 6.411 4.723 2.371 1.00 0.33 H new ATOM 0 HB ILE A 88 3.694 5.337 3.611 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.766 5.325 0.747 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.572 4.227 1.411 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.069 7.640 2.773 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.298 7.192 3.979 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.706 7.184 2.247 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.473 6.043 0.125 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.033 6.144 1.847 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.245 7.258 1.171 1.00 0.49 H new ATOM 416 N LEU A 89 5.665 4.697 5.592 1.00 0.39 N ATOM 417 CA LEU A 89 6.234 5.050 6.919 1.00 0.49 C ATOM 418 C LEU A 89 7.628 4.419 7.041 1.00 0.53 C ATOM 419 O LEU A 89 8.580 5.066 7.430 1.00 0.62 O ATOM 420 CB LEU A 89 5.276 4.547 8.024 1.00 0.53 C ATOM 421 CG LEU A 89 6.010 3.686 9.060 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.918 4.573 9.914 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.985 2.994 9.962 1.00 0.65 C ATOM 0 H LEU A 89 4.766 4.215 5.619 1.00 0.39 H new ATOM 0 HA LEU A 89 6.338 6.129 7.029 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.814 5.400 8.521 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.472 3.967 7.572 1.00 0.53 H new ATOM 0 HG LEU A 89 6.613 2.937 8.547 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.439 3.960 10.649 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.647 5.070 9.274 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.316 5.322 10.428 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.504 2.381 10.699 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.384 3.746 10.473 1.00 0.65 H new ATOM 0 HD23 LEU A 89 4.336 2.361 9.357 1.00 0.65 H new ATOM 435 N LEU A 90 7.759 3.164 6.701 1.00 0.49 N ATOM 436 CA LEU A 90 9.099 2.513 6.793 1.00 0.57 C ATOM 437 C LEU A 90 10.094 3.303 5.941 1.00 0.60 C ATOM 438 O LEU A 90 11.183 3.622 6.374 1.00 0.71 O ATOM 439 CB LEU A 90 9.012 1.074 6.273 1.00 0.56 C ATOM 440 CG LEU A 90 10.310 0.336 6.602 1.00 1.24 C ATOM 441 CD1 LEU A 90 10.314 -0.054 8.082 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.414 -0.927 5.742 1.00 1.92 C ATOM 0 H LEU A 90 7.004 2.566 6.366 1.00 0.49 H new ATOM 0 HA LEU A 90 9.429 2.498 7.832 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.164 0.562 6.728 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.844 1.074 5.196 1.00 0.56 H new ATOM 0 HG LEU A 90 11.159 0.987 6.394 1.00 1.24 H new ATOM 0 HD11 LEU A 90 11.239 -0.580 8.317 1.00 1.76 H new ATOM 0 HD12 LEU A 90 10.242 0.844 8.695 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.464 -0.704 8.289 1.00 1.76 H new ATOM 0 HD21 LEU A 90 11.340 -1.452 5.977 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.565 -1.578 5.948 1.00 1.92 H new ATOM 0 HD23 LEU A 90 10.412 -0.650 4.688 1.00 1.92 H new ATOM 454 N ILE A 91 9.720 3.629 4.734 1.00 0.55 N ATOM 455 CA ILE A 91 10.634 4.408 3.852 1.00 0.65 C ATOM 456 C ILE A 91 11.013 5.719 4.538 1.00 0.75 C ATOM 457 O ILE A 91 12.167 6.096 4.576 1.00 0.87 O ATOM 458 CB ILE A 91 9.935 4.707 2.525 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.585 3.391 1.828 1.00 0.58 C ATOM 460 CG2 ILE A 91 10.869 5.525 1.630 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.599 3.662 0.690 1.00 0.66 C ATOM 0 H ILE A 91 8.819 3.389 4.320 1.00 0.55 H new ATOM 0 HA ILE A 91 11.536 3.826 3.662 1.00 0.65 H new ATOM 0 HB ILE A 91 9.023 5.274 2.713 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.488 2.923 1.437 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.149 2.693 2.543 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.372 5.739 0.684 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.121 6.462 2.127 1.00 0.75 H new ATOM 0 HG23 ILE A 91 11.780 4.958 1.441 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.350 2.724 0.193 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.692 4.111 1.094 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.052 4.344 -0.029 1.00 0.66 H new ATOM 473 N SER A 92 10.056 6.423 5.078 1.00 0.73 N ATOM 474 CA SER A 92 10.391 7.707 5.748 1.00 0.87 C ATOM 475 C SER A 92 11.422 7.439 6.842 1.00 0.94 C ATOM 476 O SER A 92 12.423 8.118 6.941 1.00 1.07 O ATOM 477 CB SER A 92 9.129 8.306 6.371 1.00 0.86 C ATOM 478 OG SER A 92 8.155 8.509 5.356 1.00 1.29 O ATOM 0 H SER A 92 9.069 6.167 5.084 1.00 0.73 H new ATOM 0 HA SER A 92 10.797 8.408 5.019 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.737 7.639 7.139 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.364 9.252 6.860 1.00 0.86 H new ATOM 0 HG SER A 92 7.761 7.648 5.104 1.00 1.29 H new ATOM 484 N TYR A 93 11.201 6.445 7.659 1.00 0.89 N ATOM 485 CA TYR A 93 12.196 6.145 8.724 1.00 1.00 C ATOM 486 C TYR A 93 13.560 5.878 8.078 1.00 1.05 C ATOM 487 O TYR A 93 14.569 6.417 8.490 1.00 1.18 O ATOM 488 CB TYR A 93 11.750 4.911 9.512 1.00 0.96 C ATOM 489 CG TYR A 93 11.328 5.328 10.900 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.118 6.222 11.632 1.00 1.62 C ATOM 491 CD2 TYR A 93 10.145 4.824 11.453 1.00 2.13 C ATOM 492 CE1 TYR A 93 11.726 6.610 12.919 1.00 1.95 C ATOM 493 CE2 TYR A 93 9.753 5.213 12.740 1.00 2.53 C ATOM 494 CZ TYR A 93 10.543 6.106 13.472 1.00 2.15 C ATOM 495 OH TYR A 93 10.157 6.490 14.740 1.00 2.64 O ATOM 0 H TYR A 93 10.384 5.835 7.635 1.00 0.89 H new ATOM 0 HA TYR A 93 12.272 6.994 9.403 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.923 4.419 9.001 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.564 4.189 9.569 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.030 6.612 11.204 1.00 1.62 H new ATOM 0 HD2 TYR A 93 9.535 4.135 10.887 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.336 7.298 13.485 1.00 1.95 H new ATOM 0 HE2 TYR A 93 8.841 4.824 13.167 1.00 2.53 H new ATOM 0 HH TYR A 93 9.313 6.050 14.972 1.00 2.64 H new ATOM 505 N GLY A 94 13.596 5.056 7.059 1.00 0.97 N ATOM 506 CA GLY A 94 14.890 4.765 6.380 1.00 1.05 C ATOM 507 C GLY A 94 15.509 6.068 5.877 1.00 1.16 C ATOM 508 O GLY A 94 16.678 6.331 6.075 1.00 1.29 O ATOM 0 H GLY A 94 12.785 4.576 6.670 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.572 4.270 7.071 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.729 4.081 5.546 1.00 1.05 H new ATOM 512 N ILE A 95 14.728 6.888 5.225 1.00 1.14 N ATOM 513 CA ILE A 95 15.272 8.178 4.706 1.00 1.29 C ATOM 514 C ILE A 95 15.862 8.982 5.871 1.00 1.41 C ATOM 515 O ILE A 95 16.957 9.499 5.788 1.00 1.55 O ATOM 516 CB ILE A 95 14.160 8.971 3.981 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.746 9.608 2.718 1.00 1.74 C ATOM 518 CG2 ILE A 95 13.589 10.077 4.878 1.00 1.77 C ATOM 519 CD1 ILE A 95 15.158 8.511 1.734 1.00 2.19 C ATOM 0 H ILE A 95 13.741 6.722 5.030 1.00 1.14 H new ATOM 0 HA ILE A 95 16.064 7.982 3.983 1.00 1.29 H new ATOM 0 HB ILE A 95 13.354 8.282 3.729 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.011 10.267 2.256 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.609 10.223 2.975 1.00 1.74 H new ATOM 0 HG21 ILE A 95 12.810 10.616 4.339 1.00 1.77 H new ATOM 0 HG22 ILE A 95 13.166 9.633 5.779 1.00 1.77 H new ATOM 0 HG23 ILE A 95 14.385 10.769 5.154 1.00 1.77 H new ATOM 0 HD11 ILE A 95 15.575 8.966 0.836 1.00 2.19 H new ATOM 0 HD12 ILE A 95 15.908 7.870 2.197 1.00 2.19 H new ATOM 0 HD13 ILE A 95 14.285 7.915 1.467 1.00 2.19 H new ATOM 531 N ARG A 96 15.144 9.085 6.958 1.00 1.37 N ATOM 532 CA ARG A 96 15.662 9.851 8.127 1.00 1.51 C ATOM 533 C ARG A 96 17.009 9.268 8.549 1.00 1.58 C ATOM 534 O ARG A 96 17.964 9.981 8.779 1.00 1.73 O ATOM 535 CB ARG A 96 14.670 9.749 9.289 1.00 1.46 C ATOM 536 CG ARG A 96 13.353 10.423 8.897 1.00 1.73 C ATOM 537 CD ARG A 96 12.812 11.224 10.084 1.00 2.03 C ATOM 538 NE ARG A 96 12.605 10.313 11.247 1.00 2.00 N ATOM 539 CZ ARG A 96 12.426 10.810 12.441 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.271 11.323 12.767 1.00 2.76 N ATOM 541 NH2 ARG A 96 13.401 10.792 13.309 1.00 3.14 N ATOM 0 H ARG A 96 14.221 8.671 7.086 1.00 1.37 H new ATOM 0 HA ARG A 96 15.785 10.899 7.854 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.495 8.703 9.541 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.084 10.225 10.178 1.00 1.46 H new ATOM 0 HG2 ARG A 96 13.510 11.081 8.043 1.00 1.73 H new ATOM 0 HG3 ARG A 96 12.625 9.671 8.591 1.00 1.73 H new ATOM 0 HD2 ARG A 96 13.511 12.017 10.350 1.00 2.03 H new ATOM 0 HD3 ARG A 96 11.872 11.705 9.814 1.00 2.03 H new ATOM 0 HE ARG A 96 12.603 9.302 11.109 1.00 2.00 H new ATOM 0 HH11 ARG A 96 10.509 11.335 12.089 1.00 2.76 H new ATOM 0 HH12 ARG A 96 11.130 11.711 13.700 1.00 2.76 H new ATOM 0 HH21 ARG A 96 14.303 10.390 13.054 1.00 3.14 H new ATOM 0 HH22 ARG A 96 13.261 11.180 14.242 1.00 3.14 H new ATOM 555 N ARG A 97 17.103 7.977 8.654 1.00 1.50 N ATOM 556 CA ARG A 97 18.399 7.373 9.054 1.00 1.59 C ATOM 557 C ARG A 97 19.484 7.812 8.069 1.00 1.69 C ATOM 558 O ARG A 97 20.562 8.216 8.457 1.00 1.84 O ATOM 559 CB ARG A 97 18.283 5.847 9.054 1.00 1.50 C ATOM 560 CG ARG A 97 19.511 5.240 9.736 1.00 1.77 C ATOM 561 CD ARG A 97 20.430 4.624 8.679 1.00 2.23 C ATOM 562 NE ARG A 97 19.824 3.364 8.158 1.00 2.70 N ATOM 563 CZ ARG A 97 19.163 2.573 8.960 1.00 3.07 C ATOM 564 NH1 ARG A 97 19.683 2.217 10.103 1.00 3.56 N ATOM 565 NH2 ARG A 97 17.981 2.138 8.617 1.00 3.58 N ATOM 0 H ARG A 97 16.345 7.317 8.482 1.00 1.50 H new ATOM 0 HA ARG A 97 18.662 7.706 10.058 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.376 5.541 9.576 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.203 5.478 8.031 1.00 1.50 H new ATOM 0 HG2 ARG A 97 20.046 6.007 10.295 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.203 4.479 10.453 1.00 1.77 H new ATOM 0 HD2 ARG A 97 20.585 5.329 7.862 1.00 2.23 H new ATOM 0 HD3 ARG A 97 21.409 4.417 9.111 1.00 2.23 H new ATOM 0 HE ARG A 97 19.926 3.120 7.173 1.00 2.70 H new ATOM 0 HH11 ARG A 97 20.607 2.557 10.371 1.00 3.56 H new ATOM 0 HH12 ARG A 97 19.166 1.599 10.728 1.00 3.56 H new ATOM 0 HH21 ARG A 97 17.575 2.416 7.724 1.00 3.58 H new ATOM 0 HH22 ARG A 97 17.464 1.520 9.242 1.00 3.58 H new ATOM 946 N GLY B 79 -5.617 -7.652 -0.150 1.00 0.30 N ATOM 947 CA GLY B 79 -5.482 -6.257 -0.654 1.00 0.28 C ATOM 948 C GLY B 79 -4.369 -5.547 0.115 1.00 0.22 C ATOM 949 O GLY B 79 -3.514 -4.912 -0.467 1.00 0.23 O ATOM 0 HA2 GLY B 79 -5.256 -6.264 -1.720 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.423 -5.721 -0.531 1.00 0.28 H new ATOM 953 N VAL B 80 -4.359 -5.653 1.417 1.00 0.22 N ATOM 954 CA VAL B 80 -3.280 -4.982 2.193 1.00 0.23 C ATOM 955 C VAL B 80 -1.927 -5.491 1.692 1.00 0.22 C ATOM 956 O VAL B 80 -1.030 -4.722 1.399 1.00 0.23 O ATOM 957 CB VAL B 80 -3.446 -5.311 3.676 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.308 -4.671 4.474 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.788 -4.759 4.166 1.00 0.30 C ATOM 0 H VAL B 80 -5.043 -6.169 1.970 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.335 -3.901 2.061 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.420 -6.392 3.816 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.428 -4.907 5.531 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.353 -5.060 4.122 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.332 -3.590 4.338 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.912 -4.991 5.224 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.810 -3.678 4.026 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.598 -5.215 3.597 1.00 0.30 H new ATOM 969 N MET B 81 -1.783 -6.782 1.560 1.00 0.22 N ATOM 970 CA MET B 81 -0.502 -7.337 1.042 1.00 0.23 C ATOM 971 C MET B 81 -0.229 -6.733 -0.336 1.00 0.24 C ATOM 972 O MET B 81 0.858 -6.274 -0.630 1.00 0.25 O ATOM 973 CB MET B 81 -0.615 -8.859 0.924 1.00 0.26 C ATOM 974 CG MET B 81 -0.903 -9.458 2.302 1.00 0.32 C ATOM 975 SD MET B 81 -0.545 -11.232 2.276 1.00 1.15 S ATOM 976 CE MET B 81 -1.759 -11.694 1.015 1.00 1.83 C ATOM 0 H MET B 81 -2.496 -7.474 1.788 1.00 0.22 H new ATOM 0 HA MET B 81 0.314 -7.092 1.722 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.411 -9.122 0.228 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.310 -9.273 0.522 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.294 -8.964 3.059 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.946 -9.291 2.572 1.00 0.32 H new ATOM 0 HE1 MET B 81 -1.955 -12.765 1.073 1.00 1.83 H new ATOM 0 HE2 MET B 81 -2.686 -11.146 1.184 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.368 -11.450 0.027 1.00 1.83 H new ATOM 986 N ALA B 82 -1.226 -6.732 -1.180 1.00 0.25 N ATOM 987 CA ALA B 82 -1.066 -6.163 -2.546 1.00 0.27 C ATOM 988 C ALA B 82 -0.614 -4.702 -2.451 1.00 0.26 C ATOM 989 O ALA B 82 0.288 -4.283 -3.149 1.00 0.27 O ATOM 990 CB ALA B 82 -2.390 -6.266 -3.318 1.00 0.31 C ATOM 0 H ALA B 82 -2.153 -7.105 -0.977 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.306 -6.731 -3.083 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.263 -5.847 -4.316 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.684 -7.313 -3.398 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.164 -5.712 -2.788 1.00 0.31 H new ATOM 996 N GLY B 83 -1.231 -3.912 -1.606 1.00 0.25 N ATOM 997 CA GLY B 83 -0.818 -2.486 -1.505 1.00 0.26 C ATOM 998 C GLY B 83 0.670 -2.414 -1.172 1.00 0.24 C ATOM 999 O GLY B 83 1.415 -1.682 -1.792 1.00 0.24 O ATOM 0 H GLY B 83 -1.994 -4.193 -0.990 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.018 -1.970 -2.444 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.400 -1.981 -0.734 1.00 0.26 H new ATOM 1003 N VAL B 84 1.120 -3.171 -0.208 1.00 0.22 N ATOM 1004 CA VAL B 84 2.572 -3.130 0.128 1.00 0.21 C ATOM 1005 C VAL B 84 3.384 -3.477 -1.125 1.00 0.21 C ATOM 1006 O VAL B 84 4.330 -2.797 -1.473 1.00 0.21 O ATOM 1007 CB VAL B 84 2.876 -4.145 1.231 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.363 -4.086 1.582 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.046 -3.812 2.473 1.00 0.31 C ATOM 0 H VAL B 84 0.555 -3.807 0.354 1.00 0.22 H new ATOM 0 HA VAL B 84 2.839 -2.133 0.478 1.00 0.21 H new ATOM 0 HB VAL B 84 2.624 -5.147 0.883 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.580 -4.809 2.368 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.955 -4.322 0.698 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.615 -3.084 1.931 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.262 -4.535 3.260 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.298 -2.810 2.821 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.986 -3.853 2.224 1.00 0.31 H new ATOM 1019 N ILE B 85 3.013 -4.527 -1.811 1.00 0.23 N ATOM 1020 CA ILE B 85 3.752 -4.916 -3.046 1.00 0.25 C ATOM 1021 C ILE B 85 3.747 -3.753 -4.044 1.00 0.26 C ATOM 1022 O ILE B 85 4.763 -3.408 -4.613 1.00 0.26 O ATOM 1023 CB ILE B 85 3.079 -6.134 -3.680 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.266 -7.349 -2.769 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.713 -6.417 -5.043 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.167 -8.375 -3.050 1.00 1.06 C ATOM 0 H ILE B 85 2.229 -5.132 -1.568 1.00 0.23 H new ATOM 0 HA ILE B 85 4.782 -5.161 -2.786 1.00 0.25 H new ATOM 0 HB ILE B 85 2.015 -5.935 -3.810 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.246 -7.795 -2.938 1.00 0.32 H new ATOM 0 HG13 ILE B 85 3.232 -7.041 -1.724 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.233 -7.285 -5.494 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.582 -5.551 -5.692 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.777 -6.616 -4.915 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.302 -9.240 -2.400 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.192 -7.926 -2.859 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.223 -8.692 -4.092 1.00 1.06 H new ATOM 1038 N GLY B 86 2.608 -3.152 -4.268 1.00 0.27 N ATOM 1039 CA GLY B 86 2.539 -2.021 -5.236 1.00 0.30 C ATOM 1040 C GLY B 86 3.519 -0.925 -4.820 1.00 0.27 C ATOM 1041 O GLY B 86 4.269 -0.414 -5.628 1.00 0.29 O ATOM 0 H GLY B 86 1.724 -3.396 -3.822 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.778 -2.374 -6.239 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.525 -1.621 -5.271 1.00 0.30 H new ATOM 1045 N THR B 87 3.524 -0.558 -3.568 1.00 0.24 N ATOM 1046 CA THR B 87 4.464 0.505 -3.117 1.00 0.24 C ATOM 1047 C THR B 87 5.895 0.084 -3.454 1.00 0.24 C ATOM 1048 O THR B 87 6.666 0.850 -3.998 1.00 0.28 O ATOM 1049 CB THR B 87 4.330 0.703 -1.605 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.960 0.888 -1.273 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.133 1.934 -1.180 1.00 0.28 C ATOM 0 H THR B 87 2.921 -0.946 -2.842 1.00 0.24 H new ATOM 0 HA THR B 87 4.228 1.441 -3.623 1.00 0.24 H new ATOM 0 HB THR B 87 4.713 -0.175 -1.085 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.496 1.315 -2.023 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.038 2.076 -0.103 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.183 1.790 -1.436 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.751 2.814 -1.697 1.00 0.28 H new ATOM 1059 N ILE B 88 6.255 -1.132 -3.143 1.00 0.23 N ATOM 1060 CA ILE B 88 7.634 -1.599 -3.458 1.00 0.29 C ATOM 1061 C ILE B 88 7.886 -1.445 -4.960 1.00 0.33 C ATOM 1062 O ILE B 88 8.904 -0.933 -5.382 1.00 0.40 O ATOM 1063 CB ILE B 88 7.779 -3.070 -3.061 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.815 -3.183 -1.535 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.077 -3.631 -3.643 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.609 -4.643 -1.126 1.00 0.41 C ATOM 0 H ILE B 88 5.656 -1.819 -2.686 1.00 0.23 H new ATOM 0 HA ILE B 88 8.359 -1.004 -2.903 1.00 0.29 H new ATOM 0 HB ILE B 88 6.933 -3.636 -3.450 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.770 -2.819 -1.155 1.00 0.34 H new ATOM 0 HG13 ILE B 88 7.038 -2.558 -1.095 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.180 -4.679 -3.360 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.054 -3.549 -4.730 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.924 -3.066 -3.255 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.635 -4.724 -0.039 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.643 -4.991 -1.493 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.402 -5.256 -1.554 1.00 0.41 H new ATOM 1078 N LEU B 89 6.958 -1.880 -5.769 1.00 0.33 N ATOM 1079 CA LEU B 89 7.128 -1.758 -7.242 1.00 0.41 C ATOM 1080 C LEU B 89 7.350 -0.281 -7.598 1.00 0.44 C ATOM 1081 O LEU B 89 8.235 0.059 -8.357 1.00 0.51 O ATOM 1082 CB LEU B 89 5.876 -2.336 -7.941 1.00 0.44 C ATOM 1083 CG LEU B 89 5.255 -1.330 -8.919 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.146 -1.197 -10.155 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.869 -1.824 -9.342 1.00 1.06 C ATOM 0 H LEU B 89 6.086 -2.316 -5.470 1.00 0.33 H new ATOM 0 HA LEU B 89 7.996 -2.322 -7.583 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.146 -3.245 -8.478 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.137 -2.617 -7.190 1.00 0.44 H new ATOM 0 HG LEU B 89 5.166 -0.359 -8.432 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.703 -0.482 -10.848 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.134 -0.847 -9.855 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.237 -2.167 -10.644 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.425 -1.111 -10.037 1.00 1.06 H new ATOM 0 HD22 LEU B 89 3.962 -2.795 -9.828 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.232 -1.918 -8.462 1.00 1.06 H new ATOM 1097 N LEU B 90 6.547 0.596 -7.058 1.00 0.40 N ATOM 1098 CA LEU B 90 6.711 2.046 -7.370 1.00 0.47 C ATOM 1099 C LEU B 90 8.131 2.489 -7.012 1.00 0.51 C ATOM 1100 O LEU B 90 8.797 3.148 -7.785 1.00 0.60 O ATOM 1101 CB LEU B 90 5.701 2.863 -6.558 1.00 0.47 C ATOM 1102 CG LEU B 90 5.698 4.311 -7.053 1.00 1.14 C ATOM 1103 CD1 LEU B 90 5.372 4.342 -8.547 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.640 5.109 -6.288 1.00 1.67 C ATOM 0 H LEU B 90 5.787 0.372 -6.416 1.00 0.40 H new ATOM 0 HA LEU B 90 6.537 2.209 -8.434 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.705 2.432 -6.657 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.958 2.830 -5.499 1.00 0.47 H new ATOM 0 HG LEU B 90 6.681 4.751 -6.886 1.00 1.14 H new ATOM 0 HD11 LEU B 90 5.370 5.374 -8.898 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.123 3.774 -9.095 1.00 2.02 H new ATOM 0 HD13 LEU B 90 4.390 3.900 -8.714 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.637 6.141 -6.640 1.00 1.67 H new ATOM 0 HD22 LEU B 90 3.658 4.666 -6.456 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.870 5.090 -5.223 1.00 1.67 H new