USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 272 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 2 THR OG1 : rot -21:sc= 0.598 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 78:sc= 0.265! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= -0.199 (180deg=-1.05) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 18.518 -34.238 -9.452 1.00 0.00 N ATOM 19 CA THR A 2 17.155 -34.279 -8.933 1.00 0.00 C ATOM 20 C THR A 2 17.041 -33.443 -7.663 1.00 0.00 C ATOM 21 O THR A 2 16.024 -32.788 -7.429 1.00 0.00 O ATOM 22 CB THR A 2 16.751 -35.724 -8.633 1.00 0.00 C ATOM 23 OG1 THR A 2 17.889 -36.450 -8.192 1.00 0.00 O ATOM 24 CG2 THR A 2 16.188 -36.371 -9.899 1.00 0.00 C ATOM 0 HA THR A 2 16.487 -33.866 -9.689 1.00 0.00 H new ATOM 0 HB THR A 2 15.989 -35.735 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.704 -35.996 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.900 -37.400 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 2 15.314 -35.813 -10.235 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.947 -36.362 -10.681 1.00 0.00 H new ATOM 32 N TYR A 3 18.089 -33.470 -6.846 1.00 0.00 N ATOM 33 CA TYR A 3 18.092 -32.708 -5.602 1.00 0.00 C ATOM 34 C TYR A 3 17.664 -31.267 -5.858 1.00 0.00 C ATOM 35 O TYR A 3 17.379 -30.519 -4.924 1.00 0.00 O ATOM 36 CB TYR A 3 19.492 -32.727 -4.980 1.00 0.00 C ATOM 37 CG TYR A 3 19.490 -33.606 -3.751 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.166 -33.063 -2.502 1.00 0.00 C ATOM 39 CD2 TYR A 3 19.813 -34.963 -3.861 1.00 0.00 C ATOM 40 CE1 TYR A 3 19.164 -33.878 -1.363 1.00 0.00 C ATOM 41 CE2 TYR A 3 19.811 -35.778 -2.724 1.00 0.00 C ATOM 42 CZ TYR A 3 19.487 -35.236 -1.475 1.00 0.00 C ATOM 43 OH TYR A 3 19.486 -36.041 -0.353 1.00 0.00 O ATOM 0 H TYR A 3 18.939 -34.006 -7.020 1.00 0.00 H new ATOM 0 HA TYR A 3 17.384 -33.168 -4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 3 20.217 -33.099 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.797 -31.715 -4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.918 -32.015 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 3 20.064 -35.382 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.914 -33.460 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 3 20.059 -36.825 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 3 19.731 -36.955 -0.606 1.00 0.00 H new ATOM 53 N PHE A 4 17.618 -30.886 -7.131 1.00 0.00 N ATOM 54 CA PHE A 4 17.218 -29.532 -7.498 1.00 0.00 C ATOM 55 C PHE A 4 15.699 -29.436 -7.590 1.00 0.00 C ATOM 56 O PHE A 4 15.095 -28.486 -7.093 1.00 0.00 O ATOM 57 CB PHE A 4 17.838 -29.148 -8.843 1.00 0.00 C ATOM 58 CG PHE A 4 18.448 -27.769 -8.745 1.00 0.00 C ATOM 59 CD1 PHE A 4 17.675 -26.638 -9.037 1.00 0.00 C ATOM 60 CD2 PHE A 4 19.786 -27.621 -8.360 1.00 0.00 C ATOM 61 CE1 PHE A 4 18.240 -25.362 -8.944 1.00 0.00 C ATOM 62 CE2 PHE A 4 20.351 -26.344 -8.268 1.00 0.00 C ATOM 63 CZ PHE A 4 19.578 -25.214 -8.560 1.00 0.00 C ATOM 0 H PHE A 4 17.851 -31.490 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 4 17.572 -28.845 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 4 18.600 -29.875 -9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 4 17.078 -29.166 -9.624 1.00 0.00 H new ATOM 0 HD1 PHE A 4 16.643 -26.751 -9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 4 20.382 -28.493 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.644 -24.490 -9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.383 -26.230 -7.972 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.014 -24.228 -8.489 1.00 0.00 H new ATOM 73 N TYR A 5 15.088 -30.432 -8.225 1.00 0.00 N ATOM 74 CA TYR A 5 13.638 -30.455 -8.373 1.00 0.00 C ATOM 75 C TYR A 5 12.979 -30.853 -7.057 1.00 0.00 C ATOM 76 O TYR A 5 11.919 -30.340 -6.701 1.00 0.00 O ATOM 77 CB TYR A 5 13.241 -31.448 -9.465 1.00 0.00 C ATOM 78 CG TYR A 5 13.003 -30.708 -10.760 1.00 0.00 C ATOM 79 CD1 TYR A 5 11.855 -29.922 -10.916 1.00 0.00 C ATOM 80 CD2 TYR A 5 13.930 -30.809 -11.805 1.00 0.00 C ATOM 81 CE1 TYR A 5 11.634 -29.237 -12.117 1.00 0.00 C ATOM 82 CE2 TYR A 5 13.708 -30.125 -13.005 1.00 0.00 C ATOM 83 CZ TYR A 5 12.561 -29.338 -13.162 1.00 0.00 C ATOM 84 OH TYR A 5 12.343 -28.662 -14.345 1.00 0.00 O ATOM 0 H TYR A 5 15.571 -31.228 -8.642 1.00 0.00 H new ATOM 0 HA TYR A 5 13.300 -29.457 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 5 14.027 -32.191 -9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 5 12.340 -31.986 -9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.140 -29.844 -10.110 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.816 -31.415 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.748 -28.631 -12.238 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.422 -30.204 -13.811 1.00 0.00 H new ATOM 0 HH TYR A 5 13.082 -28.839 -14.964 1.00 0.00 H new ATOM 94 N VAL A 6 13.618 -31.770 -6.338 1.00 0.00 N ATOM 95 CA VAL A 6 13.090 -32.235 -5.061 1.00 0.00 C ATOM 96 C VAL A 6 13.085 -31.101 -4.041 1.00 0.00 C ATOM 97 O VAL A 6 12.305 -31.114 -3.088 1.00 0.00 O ATOM 98 CB VAL A 6 13.939 -33.393 -4.536 1.00 0.00 C ATOM 99 CG1 VAL A 6 13.410 -33.839 -3.173 1.00 0.00 C ATOM 100 CG2 VAL A 6 13.865 -34.564 -5.519 1.00 0.00 C ATOM 0 H VAL A 6 14.498 -32.204 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 6 12.066 -32.577 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 6 14.974 -33.067 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.016 -34.665 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.461 -33.006 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.375 -34.165 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.470 -35.391 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.830 -34.889 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.243 -34.247 -6.491 1.00 0.00 H new ATOM 110 N THR A 7 13.960 -30.122 -4.248 1.00 0.00 N ATOM 111 CA THR A 7 14.046 -28.984 -3.339 1.00 0.00 C ATOM 112 C THR A 7 12.898 -28.014 -3.592 1.00 0.00 C ATOM 113 O THR A 7 12.164 -27.651 -2.671 1.00 0.00 O ATOM 114 CB THR A 7 15.382 -28.263 -3.531 1.00 0.00 C ATOM 115 OG1 THR A 7 16.445 -29.197 -3.402 1.00 0.00 O ATOM 116 CG2 THR A 7 15.532 -27.169 -2.473 1.00 0.00 C ATOM 0 H THR A 7 14.614 -30.093 -5.030 1.00 0.00 H new ATOM 0 HA THR A 7 13.978 -29.351 -2.315 1.00 0.00 H new ATOM 0 HB THR A 7 15.411 -27.812 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.521 -29.722 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.484 -26.657 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.717 -26.452 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 7 15.502 -27.617 -1.480 1.00 0.00 H new ATOM 124 N ASP A 8 12.745 -27.600 -4.846 1.00 0.00 N ATOM 125 CA ASP A 8 11.677 -26.675 -5.208 1.00 0.00 C ATOM 126 C ASP A 8 10.321 -27.271 -4.862 1.00 0.00 C ATOM 127 O ASP A 8 9.333 -26.556 -4.700 1.00 0.00 O ATOM 128 CB ASP A 8 11.739 -26.358 -6.704 1.00 0.00 C ATOM 129 CG ASP A 8 13.108 -25.789 -7.059 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.973 -25.800 -6.198 1.00 0.00 O ATOM 131 OD2 ASP A 8 13.271 -25.351 -8.185 1.00 0.00 O ATOM 0 H ASP A 8 13.341 -27.887 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 8 11.811 -25.753 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.550 -27.261 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.959 -25.642 -6.965 1.00 0.00 H new ATOM 136 N TYR A 9 10.292 -28.588 -4.749 1.00 0.00 N ATOM 137 CA TYR A 9 9.060 -29.297 -4.419 1.00 0.00 C ATOM 138 C TYR A 9 8.651 -29.008 -2.978 1.00 0.00 C ATOM 139 O TYR A 9 7.474 -28.801 -2.685 1.00 0.00 O ATOM 140 CB TYR A 9 9.260 -30.802 -4.604 1.00 0.00 C ATOM 141 CG TYR A 9 8.086 -31.384 -5.358 1.00 0.00 C ATOM 142 CD1 TYR A 9 6.884 -31.643 -4.689 1.00 0.00 C ATOM 143 CD2 TYR A 9 8.204 -31.668 -6.724 1.00 0.00 C ATOM 144 CE1 TYR A 9 5.797 -32.185 -5.388 1.00 0.00 C ATOM 145 CE2 TYR A 9 7.118 -32.210 -7.422 1.00 0.00 C ATOM 146 CZ TYR A 9 5.914 -32.468 -6.754 1.00 0.00 C ATOM 147 OH TYR A 9 4.844 -33.003 -7.442 1.00 0.00 O ATOM 0 H TYR A 9 11.105 -29.190 -4.880 1.00 0.00 H new ATOM 0 HA TYR A 9 8.270 -28.952 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.185 -30.991 -5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.358 -31.288 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.794 -31.425 -3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.132 -31.469 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.869 -32.384 -4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.209 -32.429 -8.476 1.00 0.00 H new ATOM 0 HH TYR A 9 5.093 -33.138 -8.380 1.00 0.00 H new ATOM 157 N LEU A 10 9.635 -28.994 -2.082 1.00 0.00 N ATOM 158 CA LEU A 10 9.368 -28.728 -0.673 1.00 0.00 C ATOM 159 C LEU A 10 9.185 -27.232 -0.439 1.00 0.00 C ATOM 160 O LEU A 10 9.258 -26.758 0.694 1.00 0.00 O ATOM 161 CB LEU A 10 10.527 -29.238 0.186 1.00 0.00 C ATOM 162 CG LEU A 10 10.218 -30.650 0.692 1.00 0.00 C ATOM 163 CD1 LEU A 10 10.387 -31.651 -0.452 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.184 -31.004 1.824 1.00 0.00 C ATOM 0 H LEU A 10 10.616 -29.162 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 10 8.452 -29.247 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.448 -29.245 -0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.689 -28.567 1.030 1.00 0.00 H new ATOM 0 HG LEU A 10 9.193 -30.689 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.167 -32.656 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.702 -31.398 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.412 -31.614 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.967 -32.009 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.208 -30.965 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.066 -30.290 2.640 1.00 0.00 H new ATOM 272 N LYS A 18 3.238 -13.877 -5.346 1.00 0.00 N ATOM 273 CA LYS A 18 2.574 -12.862 -6.154 1.00 0.00 C ATOM 274 C LYS A 18 1.166 -12.652 -5.643 1.00 0.00 C ATOM 275 O LYS A 18 0.601 -11.562 -5.742 1.00 0.00 O ATOM 276 CB LYS A 18 2.535 -13.298 -7.622 1.00 0.00 C ATOM 277 CG LYS A 18 1.817 -12.232 -8.455 1.00 0.00 C ATOM 278 CD LYS A 18 0.663 -12.876 -9.227 1.00 0.00 C ATOM 279 CE LYS A 18 1.223 -13.756 -10.345 1.00 0.00 C ATOM 280 NZ LYS A 18 1.105 -15.190 -9.955 1.00 0.00 N ATOM 0 HA LYS A 18 3.130 -11.927 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.548 -13.444 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.020 -14.254 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.438 -11.443 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.517 -11.766 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.049 -13.473 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.017 -12.105 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.679 -13.574 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.267 -13.504 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.970 -15.771 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.972 -15.489 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.290 -15.311 -9.320 1.00 0.00 H new ATOM 294 N ILE A 19 0.615 -13.711 -5.075 1.00 0.00 N ATOM 295 CA ILE A 19 -0.723 -13.657 -4.517 1.00 0.00 C ATOM 296 C ILE A 19 -0.644 -13.147 -3.090 1.00 0.00 C ATOM 297 O ILE A 19 -1.637 -12.696 -2.518 1.00 0.00 O ATOM 298 CB ILE A 19 -1.359 -15.047 -4.539 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.617 -15.468 -5.988 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.684 -15.015 -3.774 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.517 -14.436 -6.670 1.00 0.00 C ATOM 0 H ILE A 19 1.074 -14.618 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.339 -12.984 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.684 -15.762 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.673 -15.554 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.089 -16.450 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.137 -16.006 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.501 -14.716 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.359 -14.300 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.699 -14.737 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.466 -14.372 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.028 -13.462 -6.658 1.00 0.00 H new ATOM 313 N ILE A 20 0.557 -13.218 -2.524 1.00 0.00 N ATOM 314 CA ILE A 20 0.771 -12.752 -1.156 1.00 0.00 C ATOM 315 C ILE A 20 1.261 -11.307 -1.157 1.00 0.00 C ATOM 316 O ILE A 20 0.770 -10.475 -0.395 1.00 0.00 O ATOM 317 CB ILE A 20 1.797 -13.635 -0.446 1.00 0.00 C ATOM 318 CG1 ILE A 20 1.174 -15.004 -0.153 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.218 -12.972 0.868 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.433 -14.957 1.186 1.00 0.00 C ATOM 0 H ILE A 20 1.388 -13.589 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.179 -12.809 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 20 2.672 -13.763 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.485 -15.279 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.950 -15.769 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.950 -13.601 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.660 -11.998 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.344 -12.844 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.009 -15.932 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.134 -14.701 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.354 -14.204 1.140 1.00 0.00 H new ATOM 332 N ILE A 21 2.233 -11.020 -2.016 1.00 0.00 N ATOM 333 CA ILE A 21 2.785 -9.673 -2.106 1.00 0.00 C ATOM 334 C ILE A 21 1.947 -8.807 -3.041 1.00 0.00 C ATOM 335 O ILE A 21 1.945 -7.583 -2.927 1.00 0.00 O ATOM 336 CB ILE A 21 4.225 -9.733 -2.617 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.957 -8.445 -2.231 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.220 -9.878 -4.140 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.467 -8.658 -2.359 1.00 0.00 C ATOM 0 H ILE A 21 2.652 -11.696 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 21 2.769 -9.229 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 21 4.733 -10.588 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.639 -7.626 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.704 -8.163 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.246 -9.921 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.698 -10.794 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.712 -9.023 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.988 -7.741 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.778 -9.465 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.712 -8.920 -3.388 1.00 0.00 H new ATOM 351 N GLY A 22 1.241 -9.449 -3.966 1.00 0.00 N ATOM 352 CA GLY A 22 0.404 -8.720 -4.916 1.00 0.00 C ATOM 353 C GLY A 22 -0.546 -7.771 -4.192 1.00 0.00 C ATOM 354 O GLY A 22 -0.584 -6.571 -4.477 1.00 0.00 O ATOM 0 H GLY A 22 1.230 -10.463 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.034 -8.155 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.169 -9.426 -5.517 1.00 0.00 H new ATOM 358 N PRO A 23 -1.310 -8.288 -3.268 1.00 0.00 N ATOM 359 CA PRO A 23 -2.285 -7.477 -2.484 1.00 0.00 C ATOM 360 C PRO A 23 -1.624 -6.266 -1.835 1.00 0.00 C ATOM 361 O PRO A 23 -2.238 -5.207 -1.702 1.00 0.00 O ATOM 362 CB PRO A 23 -2.808 -8.448 -1.422 1.00 0.00 C ATOM 363 CG PRO A 23 -2.539 -9.818 -1.954 1.00 0.00 C ATOM 364 CD PRO A 23 -1.322 -9.702 -2.872 1.00 0.00 C ATOM 0 HA PRO A 23 -3.076 -7.070 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.303 -8.293 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.873 -8.299 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.345 -10.518 -1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.402 -10.197 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.404 -9.979 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.411 -10.358 -3.738 1.00 0.00 H new ATOM 372 N LEU A 24 -0.366 -6.427 -1.438 1.00 0.00 N ATOM 373 CA LEU A 24 0.367 -5.336 -0.810 1.00 0.00 C ATOM 374 C LEU A 24 0.886 -4.374 -1.864 1.00 0.00 C ATOM 375 O LEU A 24 0.864 -3.161 -1.676 1.00 0.00 O ATOM 376 CB LEU A 24 1.537 -5.888 0.009 1.00 0.00 C ATOM 377 CG LEU A 24 1.060 -6.225 1.422 1.00 0.00 C ATOM 378 CD1 LEU A 24 2.132 -7.048 2.140 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.806 -4.931 2.200 1.00 0.00 C ATOM 0 H LEU A 24 0.162 -7.294 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.311 -4.800 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.942 -6.779 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.342 -5.155 0.051 1.00 0.00 H new ATOM 0 HG LEU A 24 0.136 -6.801 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.792 -7.288 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.313 -7.970 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.056 -6.472 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.466 -5.173 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.729 -4.354 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.042 -4.344 1.690 1.00 0.00 H new ATOM 391 N ILE A 25 1.333 -4.922 -2.981 1.00 0.00 N ATOM 392 CA ILE A 25 1.833 -4.099 -4.068 1.00 0.00 C ATOM 393 C ILE A 25 0.820 -3.006 -4.384 1.00 0.00 C ATOM 394 O ILE A 25 1.182 -1.903 -4.793 1.00 0.00 O ATOM 395 CB ILE A 25 2.075 -4.964 -5.309 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.507 -5.509 -5.277 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.875 -4.126 -6.575 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.455 -4.510 -5.942 1.00 0.00 C ATOM 0 H ILE A 25 1.360 -5.926 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 25 2.776 -3.641 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 25 1.367 -5.793 -5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.815 -5.687 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.553 -6.468 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.049 -4.747 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.856 -3.740 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.578 -3.293 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.472 -4.901 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.151 -4.354 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.418 -3.561 -5.406 1.00 0.00 H new ATOM 410 N PHE A 26 -0.456 -3.333 -4.202 1.00 0.00 N ATOM 411 CA PHE A 26 -1.527 -2.381 -4.481 1.00 0.00 C ATOM 412 C PHE A 26 -1.498 -1.206 -3.505 1.00 0.00 C ATOM 413 O PHE A 26 -1.547 -0.047 -3.917 1.00 0.00 O ATOM 414 CB PHE A 26 -2.883 -3.085 -4.388 1.00 0.00 C ATOM 415 CG PHE A 26 -3.723 -2.731 -5.594 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.618 -3.487 -6.766 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.607 -1.646 -5.536 1.00 0.00 C ATOM 418 CE1 PHE A 26 -4.397 -3.158 -7.883 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.385 -1.318 -6.652 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.281 -2.074 -7.826 1.00 0.00 C ATOM 0 H PHE A 26 -0.772 -4.242 -3.865 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.376 -1.993 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.741 -4.164 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.397 -2.787 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.937 -4.324 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.688 -1.063 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.315 -3.741 -8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.066 -0.481 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.882 -1.821 -8.687 1.00 0.00 H new ATOM 430 N VAL A 27 -1.432 -1.507 -2.212 1.00 0.00 N ATOM 431 CA VAL A 27 -1.411 -0.458 -1.197 1.00 0.00 C ATOM 432 C VAL A 27 -0.081 0.290 -1.206 1.00 0.00 C ATOM 433 O VAL A 27 -0.048 1.518 -1.131 1.00 0.00 O ATOM 434 CB VAL A 27 -1.654 -1.065 0.188 1.00 0.00 C ATOM 435 CG1 VAL A 27 -2.538 -2.306 0.052 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.317 -1.462 0.820 1.00 0.00 C ATOM 0 H VAL A 27 -1.392 -2.458 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.205 0.252 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.149 -0.329 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.712 -2.739 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.492 -2.026 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.041 -3.039 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.494 -1.893 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.181 -2.196 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.315 -0.579 0.919 1.00 0.00 H new ATOM 446 N PHE A 28 1.011 -0.458 -1.295 1.00 0.00 N ATOM 447 CA PHE A 28 2.343 0.139 -1.310 1.00 0.00 C ATOM 448 C PHE A 28 2.517 1.035 -2.530 1.00 0.00 C ATOM 449 O PHE A 28 3.055 2.137 -2.430 1.00 0.00 O ATOM 450 CB PHE A 28 3.404 -0.962 -1.328 1.00 0.00 C ATOM 451 CG PHE A 28 4.679 -0.445 -0.707 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.688 -0.030 0.630 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.853 -0.381 -1.467 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.871 0.447 1.207 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.035 0.097 -0.890 1.00 0.00 C ATOM 456 CZ PHE A 28 7.044 0.511 0.447 1.00 0.00 C ATOM 0 H PHE A 28 1.003 -1.476 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 28 2.460 0.745 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.048 -1.834 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.591 -1.285 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.782 -0.078 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.846 -0.701 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.878 0.766 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.940 0.146 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.956 0.880 0.892 1.00 0.00 H new ATOM 466 N LEU A 29 2.057 0.557 -3.680 1.00 0.00 N ATOM 467 CA LEU A 29 2.169 1.329 -4.910 1.00 0.00 C ATOM 468 C LEU A 29 1.264 2.550 -4.843 1.00 0.00 C ATOM 469 O LEU A 29 1.586 3.608 -5.384 1.00 0.00 O ATOM 470 CB LEU A 29 1.781 0.469 -6.112 1.00 0.00 C ATOM 471 CG LEU A 29 2.033 1.255 -7.399 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.532 1.526 -7.545 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.541 0.442 -8.599 1.00 0.00 C ATOM 0 H LEU A 29 1.607 -0.352 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 29 3.203 1.653 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.362 -0.453 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.731 0.184 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 29 1.495 2.202 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.713 2.086 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.882 2.106 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.071 0.579 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.721 1.002 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.078 -0.505 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.473 0.249 -8.495 1.00 0.00 H new ATOM 485 N PHE A 30 0.132 2.397 -4.168 1.00 0.00 N ATOM 486 CA PHE A 30 -0.813 3.494 -4.025 1.00 0.00 C ATOM 487 C PHE A 30 -0.244 4.554 -3.090 1.00 0.00 C ATOM 488 O PHE A 30 -0.384 5.752 -3.333 1.00 0.00 O ATOM 489 CB PHE A 30 -2.139 2.971 -3.467 1.00 0.00 C ATOM 490 CG PHE A 30 -3.044 4.135 -3.146 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.774 4.756 -4.165 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.154 4.591 -1.827 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.613 5.835 -3.867 1.00 0.00 C ATOM 494 CE2 PHE A 30 -3.993 5.671 -1.529 1.00 0.00 C ATOM 495 CZ PHE A 30 -4.723 6.293 -2.548 1.00 0.00 C ATOM 0 H PHE A 30 -0.152 1.529 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.987 3.939 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.618 2.314 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.960 2.378 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.690 4.402 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.592 4.110 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.176 6.315 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.077 6.024 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.371 7.126 -2.317 1.00 0.00 H new ATOM 505 N SER A 31 0.405 4.100 -2.023 1.00 0.00 N ATOM 506 CA SER A 31 1.002 5.013 -1.055 1.00 0.00 C ATOM 507 C SER A 31 2.184 5.748 -1.675 1.00 0.00 C ATOM 508 O SER A 31 2.412 6.927 -1.401 1.00 0.00 O ATOM 509 CB SER A 31 1.468 4.240 0.179 1.00 0.00 C ATOM 510 OG SER A 31 1.618 5.139 1.270 1.00 0.00 O ATOM 0 H SER A 31 0.531 3.111 -1.807 1.00 0.00 H new ATOM 0 HA SER A 31 0.248 5.742 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.745 3.464 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.414 3.740 -0.027 1.00 0.00 H new ATOM 0 HG SER A 31 1.915 4.645 2.062 1.00 0.00 H new ATOM 516 N VAL A 32 2.932 5.039 -2.506 1.00 0.00 N ATOM 517 CA VAL A 32 4.098 5.620 -3.164 1.00 0.00 C ATOM 518 C VAL A 32 3.679 6.713 -4.145 1.00 0.00 C ATOM 519 O VAL A 32 4.267 7.794 -4.169 1.00 0.00 O ATOM 520 CB VAL A 32 4.873 4.535 -3.914 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.799 5.186 -4.942 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.710 3.727 -2.919 1.00 0.00 C ATOM 0 H VAL A 32 2.755 4.063 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 32 4.735 6.061 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 32 4.171 3.875 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.351 4.412 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.206 5.764 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.501 5.846 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.263 2.954 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.411 4.389 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.053 3.262 -2.184 1.00 0.00 H new ATOM 532 N VAL A 33 2.664 6.424 -4.954 1.00 0.00 N ATOM 533 CA VAL A 33 2.184 7.394 -5.932 1.00 0.00 C ATOM 534 C VAL A 33 1.564 8.598 -5.233 1.00 0.00 C ATOM 535 O VAL A 33 1.986 9.735 -5.445 1.00 0.00 O ATOM 536 CB VAL A 33 1.147 6.744 -6.849 1.00 0.00 C ATOM 537 CG1 VAL A 33 0.527 7.810 -7.756 1.00 0.00 C ATOM 538 CG2 VAL A 33 1.825 5.676 -7.709 1.00 0.00 C ATOM 0 H VAL A 33 2.163 5.536 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 33 3.033 7.731 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 33 0.366 6.283 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.212 7.347 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.044 8.572 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.307 8.272 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.086 5.212 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.606 6.137 -8.314 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.267 4.916 -7.064 1.00 0.00 H new ATOM 548 N ILE A 34 0.562 8.341 -4.397 1.00 0.00 N ATOM 549 CA ILE A 34 -0.110 9.412 -3.670 1.00 0.00 C ATOM 550 C ILE A 34 0.883 10.181 -2.813 1.00 0.00 C ATOM 551 O ILE A 34 0.627 11.314 -2.407 1.00 0.00 O ATOM 552 CB ILE A 34 -1.214 8.833 -2.784 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.086 9.971 -2.249 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.586 8.078 -1.611 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.152 9.403 -1.312 1.00 0.00 C ATOM 0 H ILE A 34 0.200 7.407 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.551 10.095 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.827 8.148 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.470 10.696 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.559 10.500 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.374 7.666 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.036 7.268 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.028 8.762 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.772 10.215 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.776 8.695 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.669 8.894 -0.478 1.00 0.00 H new ATOM 567 N GLY A 35 2.017 9.554 -2.544 1.00 0.00 N ATOM 568 CA GLY A 35 3.051 10.181 -1.734 1.00 0.00 C ATOM 569 C GLY A 35 3.712 11.319 -2.488 1.00 0.00 C ATOM 570 O GLY A 35 3.722 12.462 -2.030 1.00 0.00 O ATOM 0 H GLY A 35 2.245 8.616 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.616 10.557 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.800 9.440 -1.456 1.00 0.00 H new ATOM 574 N SER A 36 4.240 11.002 -3.660 1.00 0.00 N ATOM 575 CA SER A 36 4.876 12.011 -4.487 1.00 0.00 C ATOM 576 C SER A 36 3.814 12.984 -4.958 1.00 0.00 C ATOM 577 O SER A 36 4.095 14.145 -5.253 1.00 0.00 O ATOM 578 CB SER A 36 5.561 11.361 -5.689 1.00 0.00 C ATOM 579 OG SER A 36 6.283 10.214 -5.257 1.00 0.00 O ATOM 0 H SER A 36 4.240 10.062 -4.056 1.00 0.00 H new ATOM 0 HA SER A 36 5.635 12.537 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.819 11.078 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.236 12.072 -6.165 1.00 0.00 H new ATOM 0 HG SER A 36 6.722 9.795 -6.026 1.00 0.00 H new ATOM 585 N ILE A 37 2.584 12.488 -5.013 1.00 0.00 N ATOM 586 CA ILE A 37 1.457 13.310 -5.440 1.00 0.00 C ATOM 587 C ILE A 37 1.079 14.289 -4.331 1.00 0.00 C ATOM 588 O ILE A 37 0.734 15.441 -4.594 1.00 0.00 O ATOM 589 CB ILE A 37 0.260 12.416 -5.812 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.187 12.735 -7.242 1.00 0.00 C ATOM 591 CG2 ILE A 37 -0.912 12.657 -4.854 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.371 11.843 -7.620 1.00 0.00 C ATOM 0 H ILE A 37 2.342 11.528 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 37 1.744 13.881 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 37 0.568 11.373 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.470 13.785 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.638 12.575 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.748 12.016 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.602 12.426 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.220 13.701 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.688 12.071 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.072 10.797 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.198 12.025 -6.933 1.00 0.00 H new ATOM 604 N TYR A 38 1.150 13.815 -3.091 1.00 0.00 N ATOM 605 CA TYR A 38 0.817 14.650 -1.943 1.00 0.00 C ATOM 606 C TYR A 38 1.540 15.991 -2.032 1.00 0.00 C ATOM 607 O TYR A 38 0.959 17.041 -1.756 1.00 0.00 O ATOM 608 CB TYR A 38 1.212 13.938 -0.648 1.00 0.00 C ATOM 609 CG TYR A 38 0.104 14.081 0.370 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.180 13.608 0.077 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.363 14.686 1.605 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.206 13.740 1.021 1.00 0.00 C ATOM 613 CE2 TYR A 38 -0.662 14.818 2.549 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.946 14.345 2.257 1.00 0.00 C ATOM 615 OH TYR A 38 -2.958 14.474 3.187 1.00 0.00 O ATOM 0 H TYR A 38 1.433 12.864 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.258 14.828 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.404 12.883 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.136 14.362 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.380 13.142 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.354 15.051 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.197 13.375 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.462 15.285 3.502 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.610 14.914 3.990 1.00 0.00 H new ATOM 625 N LEU A 39 2.812 15.947 -2.419 1.00 0.00 N ATOM 626 CA LEU A 39 3.604 17.165 -2.543 1.00 0.00 C ATOM 627 C LEU A 39 2.804 18.254 -3.251 1.00 0.00 C ATOM 628 O LEU A 39 2.787 19.405 -2.818 1.00 0.00 O ATOM 629 CB LEU A 39 4.886 16.879 -3.326 1.00 0.00 C ATOM 630 CG LEU A 39 6.016 16.544 -2.351 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.631 15.315 -1.525 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.296 16.248 -3.136 1.00 0.00 C ATOM 0 H LEU A 39 3.312 15.089 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 39 3.861 17.511 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.727 16.049 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.157 17.745 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 39 6.184 17.391 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.436 15.077 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.719 15.524 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.463 14.468 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.102 16.009 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.127 15.401 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.572 17.123 -3.725 1.00 0.00 H new