USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 149 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -51:sc= 0.601 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -15.414 -0.457 0.417 1.00 0.00 N ATOM 68 CA PHE A 12 -14.727 -0.769 -0.831 1.00 0.00 C ATOM 69 C PHE A 12 -14.657 0.458 -1.735 1.00 0.00 C ATOM 70 O PHE A 12 -13.601 0.782 -2.274 1.00 0.00 O ATOM 71 CB PHE A 12 -15.438 -1.915 -1.556 1.00 0.00 C ATOM 72 CG PHE A 12 -14.649 -3.194 -1.574 1.00 0.00 C ATOM 73 CD1 PHE A 12 -13.427 -3.260 -2.224 1.00 0.00 C ATOM 74 CD2 PHE A 12 -15.130 -4.329 -0.941 1.00 0.00 C ATOM 75 CE1 PHE A 12 -12.699 -4.434 -2.242 1.00 0.00 C ATOM 76 CE2 PHE A 12 -14.406 -5.506 -0.956 1.00 0.00 C ATOM 77 CZ PHE A 12 -13.189 -5.559 -1.607 1.00 0.00 C ATOM 0 HA PHE A 12 -13.710 -1.077 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.399 -2.097 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.647 -1.612 -2.582 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.039 -2.384 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.081 -4.293 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.748 -4.472 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.792 -6.384 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.622 -6.478 -1.620 1.00 0.00 H new ATOM 87 N THR A 13 -15.790 1.136 -1.896 1.00 0.00 N ATOM 88 CA THR A 13 -15.861 2.329 -2.737 1.00 0.00 C ATOM 89 C THR A 13 -14.719 3.294 -2.427 1.00 0.00 C ATOM 90 O THR A 13 -14.221 3.987 -3.314 1.00 0.00 O ATOM 91 CB THR A 13 -17.204 3.035 -2.543 1.00 0.00 C ATOM 92 OG1 THR A 13 -17.298 4.172 -3.383 1.00 0.00 O ATOM 93 CG2 THR A 13 -17.438 3.494 -1.121 1.00 0.00 C ATOM 0 H THR A 13 -16.673 0.880 -1.455 1.00 0.00 H new ATOM 0 HA THR A 13 -15.768 2.011 -3.775 1.00 0.00 H new ATOM 0 HB THR A 13 -17.961 2.293 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 13 -18.164 4.609 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.408 3.987 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.420 2.633 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.654 4.194 -0.831 1.00 0.00 H new ATOM 101 N SER A 14 -14.310 3.334 -1.163 1.00 0.00 N ATOM 102 CA SER A 14 -13.229 4.215 -0.737 1.00 0.00 C ATOM 103 C SER A 14 -11.876 3.517 -0.846 1.00 0.00 C ATOM 104 O SER A 14 -10.925 4.066 -1.402 1.00 0.00 O ATOM 105 CB SER A 14 -13.460 4.682 0.701 1.00 0.00 C ATOM 106 OG SER A 14 -13.066 6.032 0.869 1.00 0.00 O ATOM 0 H SER A 14 -14.711 2.767 -0.416 1.00 0.00 H new ATOM 0 HA SER A 14 -13.222 5.082 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.514 4.573 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.898 4.048 1.387 1.00 0.00 H new ATOM 0 HG SER A 14 -13.226 6.306 1.796 1.00 0.00 H new ATOM 112 N ASP A 15 -11.797 2.305 -0.306 1.00 0.00 N ATOM 113 CA ASP A 15 -10.559 1.532 -0.336 1.00 0.00 C ATOM 114 C ASP A 15 -10.107 1.268 -1.770 1.00 0.00 C ATOM 115 O ASP A 15 -8.911 1.168 -2.044 1.00 0.00 O ATOM 116 CB ASP A 15 -10.745 0.206 0.403 1.00 0.00 C ATOM 117 CG ASP A 15 -9.425 -0.415 0.817 1.00 0.00 C ATOM 118 OD1 ASP A 15 -8.816 0.079 1.789 1.00 0.00 O ATOM 119 OD2 ASP A 15 -9.001 -1.395 0.169 1.00 0.00 O ATOM 0 H ASP A 15 -12.575 1.836 0.158 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.787 2.117 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.360 0.370 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.286 -0.491 -0.237 1.00 0.00 H new ATOM 124 N VAL A 16 -11.068 1.153 -2.680 1.00 0.00 N ATOM 125 CA VAL A 16 -10.764 0.897 -4.083 1.00 0.00 C ATOM 126 C VAL A 16 -9.893 2.002 -4.678 1.00 0.00 C ATOM 127 O VAL A 16 -9.244 1.808 -5.705 1.00 0.00 O ATOM 128 CB VAL A 16 -12.045 0.759 -4.925 1.00 0.00 C ATOM 129 CG1 VAL A 16 -12.729 -0.571 -4.641 1.00 0.00 C ATOM 130 CG2 VAL A 16 -12.987 1.926 -4.663 1.00 0.00 C ATOM 0 H VAL A 16 -12.063 1.233 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.216 -0.045 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.770 0.779 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.633 -0.652 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.052 -1.389 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.992 -0.627 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.887 1.810 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.259 1.944 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.491 2.860 -4.926 1.00 0.00 H new ATOM 140 N SER A 17 -9.886 3.162 -4.033 1.00 0.00 N ATOM 141 CA SER A 17 -9.094 4.291 -4.505 1.00 0.00 C ATOM 142 C SER A 17 -7.693 4.280 -3.895 1.00 0.00 C ATOM 143 O SER A 17 -6.778 4.923 -4.411 1.00 0.00 O ATOM 144 CB SER A 17 -9.797 5.608 -4.169 1.00 0.00 C ATOM 145 OG SER A 17 -9.494 6.607 -5.128 1.00 0.00 O ATOM 0 H SER A 17 -10.419 3.346 -3.183 1.00 0.00 H new ATOM 0 HA SER A 17 -8.995 4.200 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.875 5.450 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.491 5.945 -3.179 1.00 0.00 H new ATOM 0 HG SER A 17 -9.956 7.438 -4.892 1.00 0.00 H new ATOM 151 N SER A 18 -7.534 3.563 -2.785 1.00 0.00 N ATOM 152 CA SER A 18 -6.248 3.491 -2.099 1.00 0.00 C ATOM 153 C SER A 18 -5.388 2.334 -2.607 1.00 0.00 C ATOM 154 O SER A 18 -4.161 2.434 -2.632 1.00 0.00 O ATOM 155 CB SER A 18 -6.463 3.350 -0.592 1.00 0.00 C ATOM 156 OG SER A 18 -6.738 2.006 -0.238 1.00 0.00 O ATOM 0 H SER A 18 -8.279 3.025 -2.343 1.00 0.00 H new ATOM 0 HA SER A 18 -5.716 4.418 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.575 3.694 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.289 3.988 -0.278 1.00 0.00 H new ATOM 0 HG SER A 18 -7.460 1.660 -0.804 1.00 0.00 H new ATOM 162 N TYR A 19 -6.025 1.232 -2.997 1.00 0.00 N ATOM 163 CA TYR A 19 -5.290 0.065 -3.484 1.00 0.00 C ATOM 164 C TYR A 19 -4.347 0.446 -4.625 1.00 0.00 C ATOM 165 O TYR A 19 -3.306 -0.182 -4.820 1.00 0.00 O ATOM 166 CB TYR A 19 -6.257 -1.045 -3.929 1.00 0.00 C ATOM 167 CG TYR A 19 -6.657 -0.987 -5.391 1.00 0.00 C ATOM 168 CD1 TYR A 19 -5.788 -1.416 -6.388 1.00 0.00 C ATOM 169 CD2 TYR A 19 -7.902 -0.510 -5.770 1.00 0.00 C ATOM 170 CE1 TYR A 19 -6.152 -1.369 -7.720 1.00 0.00 C ATOM 171 CE2 TYR A 19 -8.274 -0.458 -7.100 1.00 0.00 C ATOM 172 CZ TYR A 19 -7.395 -0.889 -8.071 1.00 0.00 C ATOM 173 OH TYR A 19 -7.762 -0.840 -9.396 1.00 0.00 O ATOM 0 H TYR A 19 -7.039 1.122 -2.986 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.687 -0.316 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.795 -2.012 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.158 -0.991 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.813 -1.792 -6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.594 -0.173 -5.012 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.466 -1.707 -8.482 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.248 -0.082 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.669 -0.477 -9.471 1.00 0.00 H new ATOM 183 N LEU A 20 -4.722 1.477 -5.377 1.00 0.00 N ATOM 184 CA LEU A 20 -3.914 1.941 -6.501 1.00 0.00 C ATOM 185 C LEU A 20 -2.493 2.277 -6.055 1.00 0.00 C ATOM 186 O LEU A 20 -1.546 2.169 -6.834 1.00 0.00 O ATOM 187 CB LEU A 20 -4.560 3.167 -7.148 1.00 0.00 C ATOM 188 CG LEU A 20 -5.875 2.895 -7.881 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.062 3.233 -6.993 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.937 3.688 -9.179 1.00 0.00 C ATOM 0 H LEU A 20 -5.581 2.007 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.862 1.135 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.740 3.914 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.852 3.602 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.919 1.833 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.988 3.033 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.028 2.622 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.022 4.287 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.879 3.482 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.869 4.753 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.107 3.397 -9.823 1.00 0.00 H new ATOM 261 N LYS A 26 3.166 -1.836 -0.353 1.00 0.00 N ATOM 262 CA LYS A 26 4.033 -0.659 -0.330 1.00 0.00 C ATOM 263 C LYS A 26 4.554 -0.372 1.077 1.00 0.00 C ATOM 264 O LYS A 26 5.610 0.234 1.240 1.00 0.00 O ATOM 265 CB LYS A 26 3.289 0.563 -0.875 1.00 0.00 C ATOM 266 CG LYS A 26 3.925 1.163 -2.123 1.00 0.00 C ATOM 267 CD LYS A 26 4.186 0.111 -3.195 1.00 0.00 C ATOM 268 CE LYS A 26 2.932 -0.687 -3.521 1.00 0.00 C ATOM 269 NZ LYS A 26 3.233 -1.912 -4.259 1.00 0.00 N ATOM 0 HA LYS A 26 4.891 -0.869 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.261 0.280 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.245 1.326 -0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.272 1.937 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.864 1.647 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.553 0.597 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.970 -0.566 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.414 -0.940 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.253 -0.069 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.349 -2.423 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.704 -1.671 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.860 -2.515 -3.689 1.00 0.00 H new ATOM 281 N GLU A 27 3.814 -0.812 2.091 1.00 0.00 N ATOM 282 CA GLU A 27 4.214 -0.600 3.481 1.00 0.00 C ATOM 283 C GLU A 27 5.697 -0.912 3.687 1.00 0.00 C ATOM 284 O GLU A 27 6.339 -0.352 4.575 1.00 0.00 O ATOM 285 CB GLU A 27 3.367 -1.466 4.415 1.00 0.00 C ATOM 286 CG GLU A 27 3.159 -0.853 5.790 1.00 0.00 C ATOM 287 CD GLU A 27 4.457 -0.680 6.554 1.00 0.00 C ATOM 288 OE1 GLU A 27 4.933 -1.671 7.147 1.00 0.00 O ATOM 289 OE2 GLU A 27 4.998 0.445 6.559 1.00 0.00 O ATOM 0 H GLU A 27 2.935 -1.317 1.978 1.00 0.00 H new ATOM 0 HA GLU A 27 4.051 0.451 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.395 -1.641 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.845 -2.439 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.674 0.117 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.484 -1.485 6.367 1.00 0.00 H new ATOM 296 N PHE A 28 6.235 -1.809 2.863 1.00 0.00 N ATOM 297 CA PHE A 28 7.640 -2.189 2.962 1.00 0.00 C ATOM 298 C PHE A 28 8.552 -1.063 2.471 1.00 0.00 C ATOM 299 O PHE A 28 9.630 -0.843 3.022 1.00 0.00 O ATOM 300 CB PHE A 28 7.903 -3.484 2.173 1.00 0.00 C ATOM 301 CG PHE A 28 7.997 -3.300 0.680 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.070 -2.630 0.113 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.010 -3.799 -0.155 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.156 -2.459 -1.254 1.00 0.00 C ATOM 305 CE2 PHE A 28 7.091 -3.632 -1.523 1.00 0.00 C ATOM 306 CZ PHE A 28 8.165 -2.960 -2.074 1.00 0.00 C ATOM 0 H PHE A 28 5.720 -2.284 2.122 1.00 0.00 H new ATOM 0 HA PHE A 28 7.869 -2.370 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.831 -3.930 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.105 -4.194 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.849 -2.237 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.167 -4.325 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.997 -1.934 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.315 -4.027 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.229 -2.827 -3.144 1.00 0.00 H new ATOM 316 N ILE A 29 8.114 -0.357 1.428 1.00 0.00 N ATOM 317 CA ILE A 29 8.893 0.743 0.857 1.00 0.00 C ATOM 318 C ILE A 29 9.458 1.654 1.945 1.00 0.00 C ATOM 319 O ILE A 29 10.518 2.257 1.776 1.00 0.00 O ATOM 320 CB ILE A 29 8.046 1.583 -0.125 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.945 2.504 -0.950 1.00 0.00 C ATOM 322 CG2 ILE A 29 6.991 2.395 0.618 1.00 0.00 C ATOM 323 CD1 ILE A 29 8.192 3.306 -1.989 1.00 0.00 C ATOM 0 H ILE A 29 7.223 -0.527 0.961 1.00 0.00 H new ATOM 0 HA ILE A 29 9.721 0.290 0.313 1.00 0.00 H new ATOM 0 HB ILE A 29 7.532 0.899 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.464 3.189 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.708 1.905 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.409 2.977 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.329 1.721 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.480 3.069 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.891 3.938 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.695 2.628 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.447 3.931 -1.497 1.00 0.00 H new ATOM 335 N ALA A 30 8.743 1.748 3.062 1.00 0.00 N ATOM 336 CA ALA A 30 9.172 2.583 4.176 1.00 0.00 C ATOM 337 C ALA A 30 10.452 2.043 4.807 1.00 0.00 C ATOM 338 O ALA A 30 11.316 2.809 5.233 1.00 0.00 O ATOM 339 CB ALA A 30 8.068 2.678 5.218 1.00 0.00 C ATOM 0 H ALA A 30 7.864 1.255 3.219 1.00 0.00 H new ATOM 0 HA ALA A 30 9.381 3.581 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.401 3.305 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.178 3.116 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.832 1.681 5.590 1.00 0.00 H new ATOM 345 N TRP A 31 10.567 0.720 4.864 1.00 0.00 N ATOM 346 CA TRP A 31 11.742 0.079 5.445 1.00 0.00 C ATOM 347 C TRP A 31 13.012 0.497 4.699 1.00 0.00 C ATOM 348 O TRP A 31 13.917 1.095 5.281 1.00 0.00 O ATOM 349 CB TRP A 31 11.570 -1.453 5.434 1.00 0.00 C ATOM 350 CG TRP A 31 12.671 -2.193 4.730 1.00 0.00 C ATOM 351 CD1 TRP A 31 13.977 -2.283 5.121 1.00 0.00 C ATOM 352 CD2 TRP A 31 12.566 -2.934 3.508 1.00 0.00 C ATOM 353 NE1 TRP A 31 14.689 -3.030 4.216 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.845 -3.442 3.218 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.514 -3.218 2.630 1.00 0.00 C ATOM 356 CZ2 TRP A 31 14.101 -4.214 2.089 1.00 0.00 C ATOM 357 CZ3 TRP A 31 11.771 -3.987 1.511 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.055 -4.476 1.249 1.00 0.00 C ATOM 0 H TRP A 31 9.862 0.071 4.515 1.00 0.00 H new ATOM 0 HA TRP A 31 11.843 0.405 6.480 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.510 -1.808 6.463 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.621 -1.697 4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.389 -1.832 6.012 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.685 -3.244 4.276 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.520 -2.843 2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 15.091 -4.593 1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.967 -4.214 0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.223 -5.073 0.365 1.00 0.00 H new ATOM 369 N LEU A 32 13.072 0.168 3.411 1.00 0.00 N ATOM 370 CA LEU A 32 14.232 0.497 2.587 1.00 0.00 C ATOM 371 C LEU A 32 14.533 1.994 2.624 1.00 0.00 C ATOM 372 O LEU A 32 15.651 2.401 2.937 1.00 0.00 O ATOM 373 CB LEU A 32 14.009 0.040 1.142 1.00 0.00 C ATOM 374 CG LEU A 32 12.602 0.283 0.592 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.602 1.451 -0.381 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.070 -0.972 -0.082 1.00 0.00 C ATOM 0 H LEU A 32 12.330 -0.326 2.915 1.00 0.00 H new ATOM 0 HA LEU A 32 15.092 -0.032 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.726 0.553 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.228 -1.026 1.077 1.00 0.00 H new ATOM 0 HG LEU A 32 11.946 0.532 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.593 1.608 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.941 2.351 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.273 1.232 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.068 -0.781 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.729 -1.250 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.031 -1.785 0.642 1.00 0.00 H new ATOM 388 N VAL A 33 13.532 2.810 2.306 1.00 0.00 N ATOM 389 CA VAL A 33 13.702 4.260 2.307 1.00 0.00 C ATOM 390 C VAL A 33 14.186 4.754 3.669 1.00 0.00 C ATOM 391 O VAL A 33 14.882 5.765 3.761 1.00 0.00 O ATOM 392 CB VAL A 33 12.388 4.984 1.940 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.559 6.495 2.024 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.920 4.572 0.551 1.00 0.00 C ATOM 0 H VAL A 33 12.598 2.494 2.045 1.00 0.00 H new ATOM 0 HA VAL A 33 14.453 4.492 1.552 1.00 0.00 H new ATOM 0 HB VAL A 33 11.625 4.690 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.620 6.983 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.841 6.773 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.339 6.812 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.993 5.092 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.683 4.832 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.748 3.496 0.529 1.00 0.00 H new ATOM 404 N ARG A 34 13.815 4.034 4.723 1.00 0.00 N ATOM 405 CA ARG A 34 14.214 4.401 6.077 1.00 0.00 C ATOM 406 C ARG A 34 15.295 3.458 6.600 1.00 0.00 C ATOM 407 O ARG A 34 15.143 2.848 7.659 1.00 0.00 O ATOM 408 CB ARG A 34 13.003 4.381 7.012 1.00 0.00 C ATOM 409 CG ARG A 34 11.929 5.389 6.637 1.00 0.00 C ATOM 410 CD ARG A 34 10.611 5.085 7.331 1.00 0.00 C ATOM 411 NE ARG A 34 10.385 5.953 8.485 1.00 0.00 N ATOM 412 CZ ARG A 34 10.882 5.721 9.699 1.00 0.00 C ATOM 413 NH1 ARG A 34 11.635 4.651 9.924 1.00 0.00 N ATOM 414 NH2 ARG A 34 10.626 6.563 10.690 1.00 0.00 N ATOM 0 H ARG A 34 13.239 3.194 4.666 1.00 0.00 H new ATOM 0 HA ARG A 34 14.623 5.411 6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.568 3.381 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.337 4.580 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.260 6.392 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.783 5.381 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.792 5.205 6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.603 4.044 7.654 1.00 0.00 H new ATOM 0 HE ARG A 34 9.812 6.787 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.836 4.000 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.012 4.480 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.049 7.387 10.523 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.006 6.387 11.620 1.00 0.00 H new