USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=6 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 52:sc= 0.063 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -160:sc= -0.224 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc=-0.00429 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -16.803 1.171 1.075 1.00 0.00 N ATOM 68 CA PHE A 12 -16.108 0.823 -0.159 1.00 0.00 C ATOM 69 C PHE A 12 -15.125 1.917 -0.568 1.00 0.00 C ATOM 70 O PHE A 12 -14.007 1.629 -0.991 1.00 0.00 O ATOM 71 CB PHE A 12 -17.114 0.578 -1.285 1.00 0.00 C ATOM 72 CG PHE A 12 -17.912 1.796 -1.655 1.00 0.00 C ATOM 73 CD1 PHE A 12 -17.418 2.713 -2.568 1.00 0.00 C ATOM 74 CD2 PHE A 12 -19.157 2.022 -1.090 1.00 0.00 C ATOM 75 CE1 PHE A 12 -18.150 3.834 -2.910 1.00 0.00 C ATOM 76 CE2 PHE A 12 -19.894 3.141 -1.429 1.00 0.00 C ATOM 77 CZ PHE A 12 -19.390 4.048 -2.340 1.00 0.00 C ATOM 0 HA PHE A 12 -15.544 -0.092 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.580 0.222 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.797 -0.216 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.450 2.550 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -19.556 1.316 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.753 4.542 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -20.863 3.306 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 -19.964 4.923 -2.606 1.00 0.00 H new ATOM 87 N THR A 13 -15.551 3.172 -0.442 1.00 0.00 N ATOM 88 CA THR A 13 -14.711 4.314 -0.801 1.00 0.00 C ATOM 89 C THR A 13 -13.283 4.140 -0.288 1.00 0.00 C ATOM 90 O THR A 13 -12.320 4.491 -0.970 1.00 0.00 O ATOM 91 CB THR A 13 -15.308 5.606 -0.242 1.00 0.00 C ATOM 92 OG1 THR A 13 -14.420 6.693 -0.432 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.628 5.527 1.235 1.00 0.00 C ATOM 0 H THR A 13 -16.475 3.425 -0.093 1.00 0.00 H new ATOM 0 HA THR A 13 -14.677 4.371 -1.889 1.00 0.00 H new ATOM 0 HB THR A 13 -16.238 5.756 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.821 7.510 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.048 6.476 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.351 4.730 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.716 5.318 1.794 1.00 0.00 H new ATOM 101 N SER A 14 -13.154 3.594 0.917 1.00 0.00 N ATOM 102 CA SER A 14 -11.844 3.372 1.518 1.00 0.00 C ATOM 103 C SER A 14 -11.301 1.993 1.154 1.00 0.00 C ATOM 104 O SER A 14 -10.088 1.781 1.126 1.00 0.00 O ATOM 105 CB SER A 14 -11.928 3.514 3.039 1.00 0.00 C ATOM 106 OG SER A 14 -13.224 3.191 3.512 1.00 0.00 O ATOM 0 H SER A 14 -13.940 3.297 1.496 1.00 0.00 H new ATOM 0 HA SER A 14 -11.161 4.125 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.193 2.861 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.677 4.535 3.326 1.00 0.00 H new ATOM 0 HG SER A 14 -13.491 2.315 3.163 1.00 0.00 H new ATOM 112 N ASP A 15 -12.205 1.057 0.879 1.00 0.00 N ATOM 113 CA ASP A 15 -11.814 -0.302 0.520 1.00 0.00 C ATOM 114 C ASP A 15 -11.324 -0.374 -0.924 1.00 0.00 C ATOM 115 O ASP A 15 -10.538 -1.252 -1.277 1.00 0.00 O ATOM 116 CB ASP A 15 -12.989 -1.261 0.719 1.00 0.00 C ATOM 117 CG ASP A 15 -12.550 -2.610 1.252 1.00 0.00 C ATOM 118 OD1 ASP A 15 -11.744 -2.639 2.205 1.00 0.00 O ATOM 119 OD2 ASP A 15 -13.014 -3.639 0.717 1.00 0.00 O ATOM 0 H ASP A 15 -13.213 1.215 0.898 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.993 -0.597 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.705 -0.816 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.506 -1.399 -0.230 1.00 0.00 H new ATOM 124 N VAL A 16 -11.793 0.553 -1.756 1.00 0.00 N ATOM 125 CA VAL A 16 -11.401 0.588 -3.161 1.00 0.00 C ATOM 126 C VAL A 16 -9.882 0.601 -3.311 1.00 0.00 C ATOM 127 O VAL A 16 -9.286 -0.368 -3.781 1.00 0.00 O ATOM 128 CB VAL A 16 -11.989 1.818 -3.880 1.00 0.00 C ATOM 129 CG1 VAL A 16 -11.671 1.776 -5.368 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.492 1.902 -3.652 1.00 0.00 C ATOM 0 H VAL A 16 -12.444 1.289 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.800 -0.316 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.528 2.712 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.096 2.654 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.590 1.770 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.099 0.875 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.890 2.776 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.970 1.003 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.694 1.987 -2.584 1.00 0.00 H new ATOM 140 N SER A 17 -9.258 1.703 -2.906 1.00 0.00 N ATOM 141 CA SER A 17 -7.806 1.840 -2.996 1.00 0.00 C ATOM 142 C SER A 17 -7.095 0.603 -2.449 1.00 0.00 C ATOM 143 O SER A 17 -5.973 0.293 -2.849 1.00 0.00 O ATOM 144 CB SER A 17 -7.345 3.084 -2.234 1.00 0.00 C ATOM 145 OG SER A 17 -7.295 4.215 -3.086 1.00 0.00 O ATOM 0 H SER A 17 -9.734 2.515 -2.512 1.00 0.00 H new ATOM 0 HA SER A 17 -7.545 1.944 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.025 3.279 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.360 2.906 -1.803 1.00 0.00 H new ATOM 0 HG SER A 17 -6.999 4.997 -2.575 1.00 0.00 H new ATOM 151 N SER A 18 -7.754 -0.097 -1.530 1.00 0.00 N ATOM 152 CA SER A 18 -7.185 -1.295 -0.926 1.00 0.00 C ATOM 153 C SER A 18 -7.000 -2.407 -1.957 1.00 0.00 C ATOM 154 O SER A 18 -5.933 -3.015 -2.039 1.00 0.00 O ATOM 155 CB SER A 18 -8.077 -1.788 0.215 1.00 0.00 C ATOM 156 OG SER A 18 -8.592 -0.701 0.965 1.00 0.00 O ATOM 0 H SER A 18 -8.684 0.146 -1.188 1.00 0.00 H new ATOM 0 HA SER A 18 -6.204 -1.032 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.900 -2.377 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.506 -2.447 0.869 1.00 0.00 H new ATOM 0 HG SER A 18 -8.882 -1.019 1.845 1.00 0.00 H new ATOM 162 N TYR A 19 -8.045 -2.677 -2.737 1.00 0.00 N ATOM 163 CA TYR A 19 -7.984 -3.728 -3.750 1.00 0.00 C ATOM 164 C TYR A 19 -6.894 -3.435 -4.779 1.00 0.00 C ATOM 165 O TYR A 19 -6.317 -4.352 -5.363 1.00 0.00 O ATOM 166 CB TYR A 19 -9.352 -3.904 -4.432 1.00 0.00 C ATOM 167 CG TYR A 19 -9.568 -3.047 -5.666 1.00 0.00 C ATOM 168 CD1 TYR A 19 -8.932 -3.346 -6.866 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.415 -1.947 -5.631 1.00 0.00 C ATOM 170 CE1 TYR A 19 -9.132 -2.571 -7.992 1.00 0.00 C ATOM 171 CE2 TYR A 19 -10.621 -1.168 -6.754 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.977 -1.484 -7.931 1.00 0.00 C ATOM 173 OH TYR A 19 -10.180 -0.710 -9.051 1.00 0.00 O ATOM 0 H TYR A 19 -8.938 -2.186 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.729 -4.664 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.471 -4.951 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.134 -3.676 -3.708 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.271 -4.198 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.921 -1.696 -4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.629 -2.816 -8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.283 -0.316 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.804 0.015 -8.839 1.00 0.00 H new ATOM 183 N LEU A 20 -6.618 -2.153 -4.997 1.00 0.00 N ATOM 184 CA LEU A 20 -5.598 -1.747 -5.957 1.00 0.00 C ATOM 185 C LEU A 20 -4.200 -2.053 -5.428 1.00 0.00 C ATOM 186 O LEU A 20 -3.566 -3.021 -5.847 1.00 0.00 O ATOM 187 CB LEU A 20 -5.726 -0.255 -6.268 1.00 0.00 C ATOM 188 CG LEU A 20 -6.841 0.105 -7.254 1.00 0.00 C ATOM 189 CD1 LEU A 20 -8.070 0.606 -6.511 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.357 1.149 -8.250 1.00 0.00 C ATOM 0 H LEU A 20 -7.085 -1.380 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.750 -2.315 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.898 0.282 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.777 0.100 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.116 -0.795 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.852 0.857 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.431 -0.172 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.809 1.493 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.163 1.392 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.054 2.049 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.507 0.754 -8.807 1.00 0.00 H new ATOM 261 N LYS A 26 3.702 0.397 -0.351 1.00 0.00 N ATOM 262 CA LYS A 26 4.439 1.035 0.740 1.00 0.00 C ATOM 263 C LYS A 26 5.564 0.139 1.259 1.00 0.00 C ATOM 264 O LYS A 26 6.558 0.628 1.794 1.00 0.00 O ATOM 265 CB LYS A 26 3.485 1.390 1.883 1.00 0.00 C ATOM 266 CG LYS A 26 3.017 2.837 1.859 1.00 0.00 C ATOM 267 CD LYS A 26 2.408 3.208 0.514 1.00 0.00 C ATOM 268 CE LYS A 26 3.361 4.053 -0.317 1.00 0.00 C ATOM 269 NZ LYS A 26 3.560 3.500 -1.654 1.00 0.00 N ATOM 0 HA LYS A 26 4.890 1.946 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.615 0.735 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.981 1.193 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.282 2.995 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.859 3.496 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.153 2.301 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.479 3.756 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.969 5.067 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.322 4.123 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.856 4.257 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.296 2.766 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.670 3.082 -1.993 1.00 0.00 H new ATOM 281 N GLU A 27 5.401 -1.172 1.102 1.00 0.00 N ATOM 282 CA GLU A 27 6.402 -2.133 1.558 1.00 0.00 C ATOM 283 C GLU A 27 7.814 -1.712 1.149 1.00 0.00 C ATOM 284 O GLU A 27 8.788 -2.037 1.829 1.00 0.00 O ATOM 285 CB GLU A 27 6.094 -3.523 0.998 1.00 0.00 C ATOM 286 CG GLU A 27 5.155 -4.337 1.874 1.00 0.00 C ATOM 287 CD GLU A 27 4.589 -5.545 1.154 1.00 0.00 C ATOM 288 OE1 GLU A 27 5.319 -6.548 1.013 1.00 0.00 O ATOM 289 OE2 GLU A 27 3.415 -5.488 0.732 1.00 0.00 O ATOM 0 H GLU A 27 4.584 -1.594 0.662 1.00 0.00 H new ATOM 0 HA GLU A 27 6.360 -2.161 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.653 -3.417 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.028 -4.071 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.689 -4.667 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.336 -3.702 2.210 1.00 0.00 H new ATOM 296 N PHE A 28 7.921 -0.989 0.037 1.00 0.00 N ATOM 297 CA PHE A 28 9.218 -0.532 -0.451 1.00 0.00 C ATOM 298 C PHE A 28 9.854 0.450 0.529 1.00 0.00 C ATOM 299 O PHE A 28 11.068 0.445 0.734 1.00 0.00 O ATOM 300 CB PHE A 28 9.073 0.103 -1.843 1.00 0.00 C ATOM 301 CG PHE A 28 8.613 1.537 -1.837 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.462 2.550 -1.423 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.334 1.870 -2.251 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.045 3.867 -1.419 1.00 0.00 C ATOM 305 CE2 PHE A 28 6.910 3.185 -2.250 1.00 0.00 C ATOM 306 CZ PHE A 28 7.767 4.185 -1.834 1.00 0.00 C ATOM 0 H PHE A 28 7.128 -0.708 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 28 9.877 -1.397 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.034 0.046 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.366 -0.488 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.463 2.307 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.660 1.092 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.717 4.646 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.910 3.431 -2.574 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.438 5.214 -1.833 1.00 0.00 H new ATOM 316 N ILE A 29 9.020 1.290 1.133 1.00 0.00 N ATOM 317 CA ILE A 29 9.481 2.283 2.097 1.00 0.00 C ATOM 318 C ILE A 29 10.254 1.628 3.246 1.00 0.00 C ATOM 319 O ILE A 29 11.008 2.290 3.955 1.00 0.00 O ATOM 320 CB ILE A 29 8.289 3.096 2.654 1.00 0.00 C ATOM 321 CG1 ILE A 29 7.981 4.282 1.735 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.558 3.579 4.075 1.00 0.00 C ATOM 323 CD1 ILE A 29 6.690 4.125 0.961 1.00 0.00 C ATOM 0 H ILE A 29 8.013 1.302 0.970 1.00 0.00 H new ATOM 0 HA ILE A 29 10.157 2.960 1.575 1.00 0.00 H new ATOM 0 HB ILE A 29 7.421 2.438 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.929 5.191 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.804 4.410 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.700 4.147 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.724 2.721 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.443 4.216 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.535 5.001 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.747 3.234 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.858 4.027 1.658 1.00 0.00 H new ATOM 335 N ALA A 30 10.057 0.331 3.432 1.00 0.00 N ATOM 336 CA ALA A 30 10.739 -0.394 4.496 1.00 0.00 C ATOM 337 C ALA A 30 12.242 -0.493 4.230 1.00 0.00 C ATOM 338 O ALA A 30 13.023 -0.760 5.143 1.00 0.00 O ATOM 339 CB ALA A 30 10.138 -1.783 4.652 1.00 0.00 C ATOM 0 H ALA A 30 9.433 -0.240 2.862 1.00 0.00 H new ATOM 0 HA ALA A 30 10.601 0.161 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.655 -2.316 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.080 -1.696 4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.247 -2.334 3.718 1.00 0.00 H new ATOM 345 N TRP A 31 12.640 -0.299 2.973 1.00 0.00 N ATOM 346 CA TRP A 31 14.049 -0.393 2.594 1.00 0.00 C ATOM 347 C TRP A 31 14.787 0.942 2.758 1.00 0.00 C ATOM 348 O TRP A 31 15.743 1.033 3.529 1.00 0.00 O ATOM 349 CB TRP A 31 14.169 -0.923 1.151 1.00 0.00 C ATOM 350 CG TRP A 31 14.925 -0.027 0.210 1.00 0.00 C ATOM 351 CD1 TRP A 31 16.248 0.307 0.277 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.399 0.647 -0.939 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.574 1.153 -0.756 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.456 1.375 -1.517 1.00 0.00 C ATOM 355 CE3 TRP A 31 13.136 0.707 -1.534 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.288 2.151 -2.662 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.970 1.477 -2.670 1.00 0.00 C ATOM 358 CH2 TRP A 31 14.041 2.190 -3.223 1.00 0.00 C ATOM 0 H TRP A 31 12.009 -0.077 2.203 1.00 0.00 H new ATOM 0 HA TRP A 31 14.531 -1.097 3.273 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.659 -1.896 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 31 13.167 -1.081 0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.937 -0.043 1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.497 1.551 -0.928 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.304 0.161 -1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.112 2.702 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.998 1.530 -3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.879 2.783 -4.111 1.00 0.00 H new ATOM 369 N LEU A 32 14.368 1.966 2.014 1.00 0.00 N ATOM 370 CA LEU A 32 15.031 3.269 2.077 1.00 0.00 C ATOM 371 C LEU A 32 15.071 3.828 3.500 1.00 0.00 C ATOM 372 O LEU A 32 15.879 4.706 3.803 1.00 0.00 O ATOM 373 CB LEU A 32 14.390 4.286 1.112 1.00 0.00 C ATOM 374 CG LEU A 32 12.859 4.356 1.092 1.00 0.00 C ATOM 375 CD1 LEU A 32 12.290 3.364 0.091 1.00 0.00 C ATOM 376 CD2 LEU A 32 12.285 4.114 2.474 1.00 0.00 C ATOM 0 H LEU A 32 13.581 1.920 1.367 1.00 0.00 H new ATOM 0 HA LEU A 32 16.060 3.104 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.771 5.276 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.732 4.057 0.103 1.00 0.00 H new ATOM 0 HG LEU A 32 12.571 5.360 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.202 3.429 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.666 3.596 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.593 2.354 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.197 4.169 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.585 3.126 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.660 4.872 3.162 1.00 0.00 H new ATOM 388 N VAL A 33 14.209 3.322 4.377 1.00 0.00 N ATOM 389 CA VAL A 33 14.180 3.789 5.759 1.00 0.00 C ATOM 390 C VAL A 33 15.265 3.102 6.590 1.00 0.00 C ATOM 391 O VAL A 33 15.654 3.599 7.647 1.00 0.00 O ATOM 392 CB VAL A 33 12.798 3.550 6.412 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.866 3.728 7.924 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.755 4.484 5.812 1.00 0.00 C ATOM 0 H VAL A 33 13.527 2.595 4.158 1.00 0.00 H new ATOM 0 HA VAL A 33 14.371 4.862 5.738 1.00 0.00 H new ATOM 0 HB VAL A 33 12.503 2.521 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.880 3.554 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.576 3.015 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.190 4.742 8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.789 4.302 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.052 5.519 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.676 4.301 4.740 1.00 0.00 H new ATOM 404 N ARG A 34 15.749 1.960 6.109 1.00 0.00 N ATOM 405 CA ARG A 34 16.786 1.215 6.814 1.00 0.00 C ATOM 406 C ARG A 34 18.096 1.228 6.032 1.00 0.00 C ATOM 407 O ARG A 34 18.447 0.248 5.374 1.00 0.00 O ATOM 408 CB ARG A 34 16.335 -0.228 7.049 1.00 0.00 C ATOM 409 CG ARG A 34 15.441 -0.396 8.267 1.00 0.00 C ATOM 410 CD ARG A 34 15.084 -1.856 8.498 1.00 0.00 C ATOM 411 NE ARG A 34 16.270 -2.686 8.691 1.00 0.00 N ATOM 412 CZ ARG A 34 16.269 -4.014 8.597 1.00 0.00 C ATOM 413 NH1 ARG A 34 15.148 -4.666 8.313 1.00 0.00 N ATOM 414 NH2 ARG A 34 17.392 -4.693 8.787 1.00 0.00 N ATOM 0 H ARG A 34 15.440 1.532 5.236 1.00 0.00 H new ATOM 0 HA ARG A 34 16.954 1.699 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.802 -0.582 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.215 -0.861 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.946 0.000 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.529 0.186 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.439 -1.937 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.515 -2.229 7.646 1.00 0.00 H new ATOM 0 HE ARG A 34 17.151 -2.221 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.281 -4.149 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.154 -5.684 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.257 -4.198 9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.391 -5.710 8.715 1.00 0.00 H new