USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 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 -31:sc= 0.0168 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 180:sc=-0.00326 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 0.027 -42.120 7.695 1.00 0.00 N ATOM 19 CA THR A 2 -0.533 -40.793 7.468 1.00 0.00 C ATOM 20 C THR A 2 0.546 -39.831 6.984 1.00 0.00 C ATOM 21 O THR A 2 0.260 -38.873 6.266 1.00 0.00 O ATOM 22 CB THR A 2 -1.150 -40.259 8.762 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.120 -40.009 9.708 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.127 -41.291 9.330 1.00 0.00 C ATOM 0 HA THR A 2 -1.304 -40.871 6.702 1.00 0.00 H new ATOM 0 HB THR A 2 -1.685 -39.333 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.613 -40.645 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.565 -40.908 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.918 -41.482 8.604 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.595 -42.219 9.539 1.00 0.00 H new ATOM 32 N TYR A 3 1.787 -40.092 7.381 1.00 0.00 N ATOM 33 CA TYR A 3 2.901 -39.239 6.980 1.00 0.00 C ATOM 34 C TYR A 3 2.807 -38.898 5.497 1.00 0.00 C ATOM 35 O TYR A 3 2.986 -37.746 5.103 1.00 0.00 O ATOM 36 CB TYR A 3 4.229 -39.950 7.263 1.00 0.00 C ATOM 37 CG TYR A 3 5.109 -39.065 8.116 1.00 0.00 C ATOM 38 CD1 TYR A 3 5.766 -37.969 7.542 1.00 0.00 C ATOM 39 CD2 TYR A 3 5.267 -39.341 9.479 1.00 0.00 C ATOM 40 CE1 TYR A 3 6.581 -37.150 8.332 1.00 0.00 C ATOM 41 CE2 TYR A 3 6.082 -38.521 10.269 1.00 0.00 C ATOM 42 CZ TYR A 3 6.739 -37.426 9.695 1.00 0.00 C ATOM 43 OH TYR A 3 7.543 -36.617 10.474 1.00 0.00 O ATOM 0 H TYR A 3 2.046 -40.880 7.975 1.00 0.00 H new ATOM 0 HA TYR A 3 2.855 -38.314 7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.045 -40.896 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.733 -40.186 6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.644 -37.756 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.760 -40.186 9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.088 -36.305 7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.204 -38.733 11.321 1.00 0.00 H new ATOM 0 HH TYR A 3 7.543 -36.947 11.397 1.00 0.00 H new ATOM 53 N PHE A 4 2.522 -39.906 4.679 1.00 0.00 N ATOM 54 CA PHE A 4 2.405 -39.700 3.241 1.00 0.00 C ATOM 55 C PHE A 4 1.665 -38.400 2.945 1.00 0.00 C ATOM 56 O PHE A 4 2.039 -37.652 2.042 1.00 0.00 O ATOM 57 CB PHE A 4 1.658 -40.874 2.605 1.00 0.00 C ATOM 58 CG PHE A 4 1.347 -40.554 1.163 1.00 0.00 C ATOM 59 CD1 PHE A 4 2.324 -40.743 0.177 1.00 0.00 C ATOM 60 CD2 PHE A 4 0.082 -40.069 0.810 1.00 0.00 C ATOM 61 CE1 PHE A 4 2.035 -40.448 -1.160 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.207 -39.773 -0.527 1.00 0.00 C ATOM 63 CZ PHE A 4 0.770 -39.962 -1.513 1.00 0.00 C ATOM 0 H PHE A 4 2.369 -40.867 4.985 1.00 0.00 H new ATOM 0 HA PHE A 4 3.408 -39.637 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.263 -41.779 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.736 -41.070 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.300 -41.116 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.671 -39.923 1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.788 -40.595 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.183 -39.399 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.548 -39.733 -2.545 1.00 0.00 H new ATOM 73 N TYR A 5 0.613 -38.136 3.714 1.00 0.00 N ATOM 74 CA TYR A 5 -0.172 -36.922 3.526 1.00 0.00 C ATOM 75 C TYR A 5 0.624 -35.699 3.967 1.00 0.00 C ATOM 76 O TYR A 5 0.658 -34.685 3.271 1.00 0.00 O ATOM 77 CB TYR A 5 -1.468 -37.009 4.331 1.00 0.00 C ATOM 78 CG TYR A 5 -2.600 -37.422 3.421 1.00 0.00 C ATOM 79 CD1 TYR A 5 -3.201 -36.479 2.580 1.00 0.00 C ATOM 80 CD2 TYR A 5 -3.047 -38.749 3.418 1.00 0.00 C ATOM 81 CE1 TYR A 5 -4.251 -36.861 1.737 1.00 0.00 C ATOM 82 CE2 TYR A 5 -4.097 -39.132 2.574 1.00 0.00 C ATOM 83 CZ TYR A 5 -4.699 -38.188 1.733 1.00 0.00 C ATOM 84 OH TYR A 5 -5.734 -38.563 0.901 1.00 0.00 O ATOM 0 H TYR A 5 0.287 -38.741 4.467 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.410 -36.824 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.357 -37.730 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.689 -36.045 4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.855 -35.456 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.582 -39.477 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.716 -36.132 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.442 -40.155 2.572 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.921 -39.518 1.021 1.00 0.00 H new ATOM 94 N VAL A 6 1.266 -35.802 5.126 1.00 0.00 N ATOM 95 CA VAL A 6 2.061 -34.697 5.648 1.00 0.00 C ATOM 96 C VAL A 6 3.214 -34.376 4.703 1.00 0.00 C ATOM 97 O VAL A 6 3.747 -33.267 4.711 1.00 0.00 O ATOM 98 CB VAL A 6 2.613 -35.054 7.029 1.00 0.00 C ATOM 99 CG1 VAL A 6 3.370 -33.853 7.601 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.457 -35.418 7.962 1.00 0.00 C ATOM 0 H VAL A 6 1.252 -36.633 5.718 1.00 0.00 H new ATOM 0 HA VAL A 6 1.419 -33.820 5.732 1.00 0.00 H new ATOM 0 HB VAL A 6 3.290 -35.903 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.764 -34.106 8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.194 -33.592 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.692 -33.004 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.850 -35.672 8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.779 -34.569 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.916 -36.273 7.555 1.00 0.00 H new ATOM 110 N THR A 7 3.594 -35.355 3.889 1.00 0.00 N ATOM 111 CA THR A 7 4.688 -35.166 2.941 1.00 0.00 C ATOM 112 C THR A 7 4.305 -34.142 1.877 1.00 0.00 C ATOM 113 O THR A 7 5.116 -33.299 1.495 1.00 0.00 O ATOM 114 CB THR A 7 5.033 -36.497 2.270 1.00 0.00 C ATOM 115 OG1 THR A 7 5.028 -37.531 3.243 1.00 0.00 O ATOM 116 CG2 THR A 7 6.418 -36.402 1.628 1.00 0.00 C ATOM 0 H THR A 7 3.165 -36.280 3.865 1.00 0.00 H new ATOM 0 HA THR A 7 5.557 -34.798 3.487 1.00 0.00 H new ATOM 0 HB THR A 7 4.294 -36.720 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.247 -38.385 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.663 -37.350 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.419 -35.608 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.160 -36.179 2.395 1.00 0.00 H new ATOM 124 N ASP A 8 3.066 -34.222 1.402 1.00 0.00 N ATOM 125 CA ASP A 8 2.589 -33.296 0.381 1.00 0.00 C ATOM 126 C ASP A 8 2.397 -31.905 0.968 1.00 0.00 C ATOM 127 O ASP A 8 2.396 -30.907 0.249 1.00 0.00 O ATOM 128 CB ASP A 8 1.269 -33.794 -0.208 1.00 0.00 C ATOM 129 CG ASP A 8 0.537 -32.644 -0.892 1.00 0.00 C ATOM 130 OD1 ASP A 8 0.970 -32.244 -1.960 1.00 0.00 O ATOM 131 OD2 ASP A 8 -0.446 -32.180 -0.336 1.00 0.00 O ATOM 0 H ASP A 8 2.379 -34.913 1.705 1.00 0.00 H new ATOM 0 HA ASP A 8 3.337 -33.243 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.459 -34.593 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.645 -34.215 0.580 1.00 0.00 H new ATOM 136 N TYR A 9 2.235 -31.856 2.280 1.00 0.00 N ATOM 137 CA TYR A 9 2.041 -30.587 2.973 1.00 0.00 C ATOM 138 C TYR A 9 3.353 -29.813 3.048 1.00 0.00 C ATOM 139 O TYR A 9 3.374 -28.644 3.435 1.00 0.00 O ATOM 140 CB TYR A 9 1.511 -30.837 4.385 1.00 0.00 C ATOM 141 CG TYR A 9 0.466 -29.800 4.722 1.00 0.00 C ATOM 142 CD1 TYR A 9 0.858 -28.505 5.085 1.00 0.00 C ATOM 143 CD2 TYR A 9 -0.894 -30.131 4.670 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.110 -27.542 5.395 1.00 0.00 C ATOM 145 CE2 TYR A 9 -1.862 -29.167 4.981 1.00 0.00 C ATOM 146 CZ TYR A 9 -1.469 -27.873 5.343 1.00 0.00 C ATOM 147 OH TYR A 9 -2.423 -26.923 5.649 1.00 0.00 O ATOM 0 H TYR A 9 2.233 -32.675 2.887 1.00 0.00 H new ATOM 0 HA TYR A 9 1.315 -29.997 2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.081 -31.837 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.328 -30.792 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.907 -28.249 5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.196 -31.129 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.192 -26.543 5.674 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.911 -29.422 4.941 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.316 -27.317 5.563 1.00 0.00 H new ATOM 157 N LEU A 10 4.446 -30.471 2.676 1.00 0.00 N ATOM 158 CA LEU A 10 5.758 -29.835 2.705 1.00 0.00 C ATOM 159 C LEU A 10 6.048 -29.146 1.373 1.00 0.00 C ATOM 160 O LEU A 10 7.167 -29.197 0.865 1.00 0.00 O ATOM 161 CB LEU A 10 6.838 -30.882 2.995 1.00 0.00 C ATOM 162 CG LEU A 10 7.270 -30.777 4.459 1.00 0.00 C ATOM 163 CD1 LEU A 10 7.806 -32.129 4.932 1.00 0.00 C ATOM 164 CD2 LEU A 10 8.369 -29.720 4.592 1.00 0.00 C ATOM 0 H LEU A 10 4.450 -31.438 2.353 1.00 0.00 H new ATOM 0 HA LEU A 10 5.763 -29.084 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.455 -31.882 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.695 -30.727 2.340 1.00 0.00 H new ATOM 0 HG LEU A 10 6.414 -30.491 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.114 -32.054 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.025 -32.883 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.662 -32.415 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.677 -29.645 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.225 -30.006 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.989 -28.755 4.256 1.00 0.00 H new ATOM 272 N LYS A 18 3.098 -14.439 -4.650 1.00 0.00 N ATOM 273 CA LYS A 18 2.674 -13.409 -5.588 1.00 0.00 C ATOM 274 C LYS A 18 1.254 -12.997 -5.269 1.00 0.00 C ATOM 275 O LYS A 18 0.846 -11.859 -5.506 1.00 0.00 O ATOM 276 CB LYS A 18 2.751 -13.936 -7.023 1.00 0.00 C ATOM 277 CG LYS A 18 2.376 -12.820 -7.999 1.00 0.00 C ATOM 278 CD LYS A 18 3.267 -12.908 -9.239 1.00 0.00 C ATOM 279 CE LYS A 18 2.915 -14.169 -10.030 1.00 0.00 C ATOM 280 NZ LYS A 18 2.202 -13.786 -11.281 1.00 0.00 N ATOM 0 HA LYS A 18 3.335 -12.547 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.758 -14.296 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.077 -14.783 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.328 -12.908 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.495 -11.848 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.130 -12.024 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.316 -12.931 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.821 -14.725 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.288 -14.826 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.962 -14.642 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.330 -13.273 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.816 -13.175 -11.857 1.00 0.00 H new ATOM 294 N ILE A 19 0.516 -13.937 -4.707 1.00 0.00 N ATOM 295 CA ILE A 19 -0.861 -13.688 -4.320 1.00 0.00 C ATOM 296 C ILE A 19 -0.880 -13.096 -2.922 1.00 0.00 C ATOM 297 O ILE A 19 -1.866 -12.491 -2.500 1.00 0.00 O ATOM 298 CB ILE A 19 -1.663 -14.989 -4.341 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.818 -15.470 -5.786 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.046 -14.746 -3.735 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.511 -16.834 -5.798 1.00 0.00 C ATOM 0 H ILE A 19 0.847 -14.881 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.314 -12.991 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.139 -15.747 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.400 -14.749 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.841 -15.542 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.618 -15.674 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.937 -14.403 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.570 -13.987 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.622 -17.177 -6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.911 -17.552 -5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.495 -16.746 -5.337 1.00 0.00 H new ATOM 313 N ILE A 20 0.228 -13.277 -2.209 1.00 0.00 N ATOM 314 CA ILE A 20 0.339 -12.755 -0.851 1.00 0.00 C ATOM 315 C ILE A 20 0.816 -11.306 -0.867 1.00 0.00 C ATOM 316 O ILE A 20 0.163 -10.422 -0.313 1.00 0.00 O ATOM 317 CB ILE A 20 1.318 -13.602 -0.036 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.591 -14.834 0.506 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.859 -12.778 1.134 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.167 -14.458 1.781 1.00 0.00 C ATOM 0 H ILE A 20 1.053 -13.775 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.648 -12.798 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 20 2.146 -13.914 -0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.102 -15.219 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.307 -15.629 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.556 -13.383 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.374 -11.897 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.032 -12.466 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.685 -15.335 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.537 -14.093 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.893 -13.677 1.556 1.00 0.00 H new ATOM 332 N ILE A 21 1.958 -11.071 -1.503 1.00 0.00 N ATOM 333 CA ILE A 21 2.512 -9.725 -1.580 1.00 0.00 C ATOM 334 C ILE A 21 1.835 -8.921 -2.686 1.00 0.00 C ATOM 335 O ILE A 21 1.585 -7.728 -2.530 1.00 0.00 O ATOM 336 CB ILE A 21 4.017 -9.796 -1.843 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.651 -10.811 -0.890 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.641 -8.420 -1.608 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.175 -10.723 -0.987 1.00 0.00 C ATOM 0 H ILE A 21 2.514 -11.788 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 21 2.331 -9.226 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 21 4.193 -10.103 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.330 -10.615 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.318 -11.818 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.714 -8.470 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.188 -7.695 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.467 -8.113 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.625 -11.447 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.488 -10.941 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.500 -9.719 -0.714 1.00 0.00 H new ATOM 351 N GLY A 22 1.544 -9.581 -3.802 1.00 0.00 N ATOM 352 CA GLY A 22 0.898 -8.912 -4.929 1.00 0.00 C ATOM 353 C GLY A 22 -0.160 -7.920 -4.453 1.00 0.00 C ATOM 354 O GLY A 22 -0.119 -6.736 -4.795 1.00 0.00 O ATOM 0 H GLY A 22 1.743 -10.570 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.648 -8.390 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.436 -9.655 -5.580 1.00 0.00 H new ATOM 358 N PRO A 23 -1.104 -8.384 -3.680 1.00 0.00 N ATOM 359 CA PRO A 23 -2.207 -7.530 -3.147 1.00 0.00 C ATOM 360 C PRO A 23 -1.685 -6.281 -2.441 1.00 0.00 C ATOM 361 O PRO A 23 -2.239 -5.193 -2.600 1.00 0.00 O ATOM 362 CB PRO A 23 -2.937 -8.445 -2.161 1.00 0.00 C ATOM 363 CG PRO A 23 -2.610 -9.836 -2.590 1.00 0.00 C ATOM 364 CD PRO A 23 -1.225 -9.779 -3.233 1.00 0.00 C ATOM 0 HA PRO A 23 -2.849 -7.156 -3.945 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.607 -8.262 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.013 -8.269 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.614 -10.516 -1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.351 -10.208 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.442 -10.040 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.142 -10.475 -4.068 1.00 0.00 H new ATOM 372 N LEU A 24 -0.621 -6.440 -1.663 1.00 0.00 N ATOM 373 CA LEU A 24 -0.046 -5.307 -0.944 1.00 0.00 C ATOM 374 C LEU A 24 0.715 -4.404 -1.899 1.00 0.00 C ATOM 375 O LEU A 24 0.647 -3.180 -1.795 1.00 0.00 O ATOM 376 CB LEU A 24 0.883 -5.799 0.166 1.00 0.00 C ATOM 377 CG LEU A 24 0.106 -5.882 1.481 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.055 -6.866 1.326 1.00 0.00 C ATOM 379 CD2 LEU A 24 1.037 -6.367 2.595 1.00 0.00 C ATOM 0 H LEU A 24 -0.143 -7.329 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.858 -4.735 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.289 -6.777 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.730 -5.121 0.274 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.283 -4.896 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.609 -6.926 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.719 -6.523 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.665 -7.852 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.483 -6.426 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.426 -7.353 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.866 -5.668 2.707 1.00 0.00 H new ATOM 391 N ILE A 25 1.424 -5.009 -2.840 1.00 0.00 N ATOM 392 CA ILE A 25 2.167 -4.234 -3.815 1.00 0.00 C ATOM 393 C ILE A 25 1.241 -3.192 -4.421 1.00 0.00 C ATOM 394 O ILE A 25 1.665 -2.087 -4.764 1.00 0.00 O ATOM 395 CB ILE A 25 2.723 -5.145 -4.913 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.958 -5.883 -4.385 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.113 -4.303 -6.128 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.173 -4.952 -4.421 1.00 0.00 C ATOM 0 H ILE A 25 1.499 -6.021 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 25 3.007 -3.743 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 25 1.962 -5.869 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.780 -6.225 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.149 -6.769 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.509 -4.952 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.235 -3.777 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.874 -3.578 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.048 -5.481 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.356 -4.632 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.981 -4.079 -3.797 1.00 0.00 H new ATOM 410 N PHE A 26 -0.035 -3.552 -4.537 1.00 0.00 N ATOM 411 CA PHE A 26 -1.028 -2.639 -5.090 1.00 0.00 C ATOM 412 C PHE A 26 -1.099 -1.380 -4.235 1.00 0.00 C ATOM 413 O PHE A 26 -1.060 -0.263 -4.749 1.00 0.00 O ATOM 414 CB PHE A 26 -2.402 -3.317 -5.129 1.00 0.00 C ATOM 415 CG PHE A 26 -2.876 -3.423 -6.561 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.012 -3.908 -7.550 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.179 -3.037 -6.896 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.452 -4.007 -8.876 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.619 -3.135 -8.222 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.754 -3.620 -9.212 1.00 0.00 C ATOM 0 H PHE A 26 -0.402 -4.462 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.737 -2.370 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.342 -4.309 -4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.118 -2.744 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.007 -4.206 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.845 -2.664 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.786 -4.382 -9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.624 -2.837 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.092 -3.695 -10.235 1.00 0.00 H new ATOM 430 N VAL A 27 -1.187 -1.573 -2.923 1.00 0.00 N ATOM 431 CA VAL A 27 -1.245 -0.450 -1.998 1.00 0.00 C ATOM 432 C VAL A 27 0.065 0.325 -2.052 1.00 0.00 C ATOM 433 O VAL A 27 0.089 1.542 -1.874 1.00 0.00 O ATOM 434 CB VAL A 27 -1.485 -0.955 -0.574 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.632 0.236 0.374 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.766 -1.792 -0.542 1.00 0.00 C ATOM 0 H VAL A 27 -1.219 -2.491 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.067 0.205 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.640 -1.567 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.803 -0.125 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.721 0.834 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.477 0.849 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.939 -2.153 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.610 -1.178 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.663 -2.642 -1.217 1.00 0.00 H new ATOM 446 N PHE A 28 1.152 -0.395 -2.309 1.00 0.00 N ATOM 447 CA PHE A 28 2.468 0.223 -2.398 1.00 0.00 C ATOM 448 C PHE A 28 2.522 1.168 -3.591 1.00 0.00 C ATOM 449 O PHE A 28 3.104 2.250 -3.514 1.00 0.00 O ATOM 450 CB PHE A 28 3.542 -0.857 -2.548 1.00 0.00 C ATOM 451 CG PHE A 28 4.808 -0.417 -1.852 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.909 -0.508 -0.458 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.880 0.082 -2.600 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.083 -0.101 0.186 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.055 0.490 -1.955 1.00 0.00 C ATOM 456 CZ PHE A 28 7.155 0.398 -0.562 1.00 0.00 C ATOM 0 H PHE A 28 1.147 -1.404 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 28 2.653 0.790 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.189 -1.796 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.741 -1.041 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.081 -0.892 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.802 0.153 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.162 -0.172 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.883 0.875 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.060 0.712 -0.064 1.00 0.00 H new ATOM 466 N LEU A 29 1.900 0.755 -4.690 1.00 0.00 N ATOM 467 CA LEU A 29 1.873 1.577 -5.893 1.00 0.00 C ATOM 468 C LEU A 29 0.991 2.799 -5.668 1.00 0.00 C ATOM 469 O LEU A 29 1.277 3.887 -6.167 1.00 0.00 O ATOM 470 CB LEU A 29 1.335 0.763 -7.071 1.00 0.00 C ATOM 471 CG LEU A 29 2.502 0.299 -7.946 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.230 1.518 -8.517 1.00 0.00 C ATOM 473 CD2 LEU A 29 3.474 -0.526 -7.100 1.00 0.00 C ATOM 0 H LEU A 29 1.412 -0.137 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 29 2.888 1.904 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.775 -0.098 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.644 1.367 -7.659 1.00 0.00 H new ATOM 0 HG LEU A 29 2.122 -0.312 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.061 1.187 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.537 2.107 -9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.611 2.130 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.306 -0.858 -7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.853 0.086 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.956 -1.395 -6.694 1.00 0.00 H new ATOM 485 N PHE A 30 -0.080 2.609 -4.903 1.00 0.00 N ATOM 486 CA PHE A 30 -0.997 3.702 -4.608 1.00 0.00 C ATOM 487 C PHE A 30 -0.348 4.685 -3.639 1.00 0.00 C ATOM 488 O PHE A 30 -0.548 5.896 -3.739 1.00 0.00 O ATOM 489 CB PHE A 30 -2.288 3.153 -3.997 1.00 0.00 C ATOM 490 CG PHE A 30 -3.338 3.019 -5.074 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.983 2.544 -6.342 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.665 3.372 -4.805 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.956 2.420 -7.340 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.639 3.248 -5.804 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.284 2.772 -7.071 1.00 0.00 C ATOM 0 H PHE A 30 -0.332 1.716 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.233 4.221 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.101 2.184 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.642 3.819 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.958 2.273 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.938 3.740 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.682 2.053 -8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.663 3.520 -5.596 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.035 2.676 -7.842 1.00 0.00 H new ATOM 505 N SER A 31 0.434 4.155 -2.705 1.00 0.00 N ATOM 506 CA SER A 31 1.115 4.993 -1.727 1.00 0.00 C ATOM 507 C SER A 31 2.183 5.835 -2.409 1.00 0.00 C ATOM 508 O SER A 31 2.366 7.010 -2.089 1.00 0.00 O ATOM 509 CB SER A 31 1.756 4.124 -0.644 1.00 0.00 C ATOM 510 OG SER A 31 1.874 4.879 0.554 1.00 0.00 O ATOM 0 H SER A 31 0.611 3.155 -2.605 1.00 0.00 H new ATOM 0 HA SER A 31 0.382 5.655 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.150 3.235 -0.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.738 3.782 -0.970 1.00 0.00 H new ATOM 0 HG SER A 31 2.283 4.325 1.251 1.00 0.00 H new ATOM 516 N VAL A 32 2.879 5.224 -3.357 1.00 0.00 N ATOM 517 CA VAL A 32 3.927 5.922 -4.093 1.00 0.00 C ATOM 518 C VAL A 32 3.347 7.136 -4.809 1.00 0.00 C ATOM 519 O VAL A 32 3.913 8.229 -4.757 1.00 0.00 O ATOM 520 CB VAL A 32 4.568 4.983 -5.115 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.436 5.795 -6.079 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.438 3.953 -4.390 1.00 0.00 C ATOM 0 H VAL A 32 2.740 4.252 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 32 4.687 6.253 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 32 3.787 4.468 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.893 5.126 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.817 6.528 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.217 6.310 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.894 3.284 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.219 4.467 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.820 3.374 -3.703 1.00 0.00 H new ATOM 532 N VAL A 33 2.213 6.937 -5.474 1.00 0.00 N ATOM 533 CA VAL A 33 1.564 8.026 -6.193 1.00 0.00 C ATOM 534 C VAL A 33 1.159 9.132 -5.223 1.00 0.00 C ATOM 535 O VAL A 33 1.564 10.284 -5.375 1.00 0.00 O ATOM 536 CB VAL A 33 0.325 7.505 -6.923 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.426 8.678 -7.556 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.754 6.525 -8.018 1.00 0.00 C ATOM 0 H VAL A 33 1.729 6.041 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 33 2.267 8.431 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.328 6.996 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.309 8.307 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.731 9.377 -6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.226 9.187 -8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.128 6.153 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.406 7.035 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.290 5.689 -7.568 1.00 0.00 H new ATOM 548 N ILE A 34 0.362 8.770 -4.223 1.00 0.00 N ATOM 549 CA ILE A 34 -0.089 9.735 -3.227 1.00 0.00 C ATOM 550 C ILE A 34 1.098 10.451 -2.604 1.00 0.00 C ATOM 551 O ILE A 34 0.956 11.524 -2.019 1.00 0.00 O ATOM 552 CB ILE A 34 -0.895 9.027 -2.137 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.224 8.543 -2.724 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.169 10.001 -0.990 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.863 7.528 -1.774 1.00 0.00 C ATOM 0 H ILE A 34 0.017 7.821 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.723 10.471 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.329 8.175 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.896 9.388 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.058 8.088 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.743 9.496 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.223 10.348 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.736 10.854 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.809 7.184 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.193 6.678 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.043 7.998 -0.807 1.00 0.00 H new ATOM 567 N GLY A 35 2.266 9.845 -2.735 1.00 0.00 N ATOM 568 CA GLY A 35 3.481 10.424 -2.180 1.00 0.00 C ATOM 569 C GLY A 35 3.934 11.627 -2.988 1.00 0.00 C ATOM 570 O GLY A 35 4.081 12.726 -2.456 1.00 0.00 O ATOM 0 H GLY A 35 2.400 8.957 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.306 10.722 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.271 9.673 -2.166 1.00 0.00 H new ATOM 574 N SER A 36 4.139 11.414 -4.280 1.00 0.00 N ATOM 575 CA SER A 36 4.556 12.496 -5.151 1.00 0.00 C ATOM 576 C SER A 36 3.457 13.537 -5.193 1.00 0.00 C ATOM 577 O SER A 36 3.704 14.721 -5.418 1.00 0.00 O ATOM 578 CB SER A 36 4.831 11.970 -6.559 1.00 0.00 C ATOM 579 OG SER A 36 4.356 12.912 -7.513 1.00 0.00 O ATOM 0 H SER A 36 4.024 10.512 -4.741 1.00 0.00 H new ATOM 0 HA SER A 36 5.474 12.940 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.900 11.804 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.338 11.009 -6.703 1.00 0.00 H new ATOM 0 HG SER A 36 4.532 12.579 -8.418 1.00 0.00 H new ATOM 585 N ILE A 37 2.238 13.075 -4.953 1.00 0.00 N ATOM 586 CA ILE A 37 1.087 13.969 -4.942 1.00 0.00 C ATOM 587 C ILE A 37 1.085 14.786 -3.660 1.00 0.00 C ATOM 588 O ILE A 37 0.775 15.977 -3.664 1.00 0.00 O ATOM 589 CB ILE A 37 -0.211 13.170 -5.045 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.178 12.306 -6.310 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.399 14.132 -5.110 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.735 13.100 -7.494 1.00 0.00 C ATOM 0 H ILE A 37 2.021 12.096 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 37 1.155 14.638 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.314 12.528 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.844 11.991 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.766 11.401 -6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.325 13.562 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.421 14.745 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.299 14.775 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.709 12.481 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.764 13.393 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.129 13.992 -7.651 1.00 0.00 H new ATOM 604 N TYR A 38 1.437 14.127 -2.561 1.00 0.00 N ATOM 605 CA TYR A 38 1.479 14.790 -1.263 1.00 0.00 C ATOM 606 C TYR A 38 2.242 16.107 -1.358 1.00 0.00 C ATOM 607 O TYR A 38 1.876 17.094 -0.719 1.00 0.00 O ATOM 608 CB TYR A 38 2.154 13.879 -0.235 1.00 0.00 C ATOM 609 CG TYR A 38 1.799 14.341 1.158 1.00 0.00 C ATOM 610 CD1 TYR A 38 2.338 15.531 1.660 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.931 13.578 1.948 1.00 0.00 C ATOM 612 CE1 TYR A 38 2.009 15.959 2.952 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.602 14.006 3.240 1.00 0.00 C ATOM 614 CZ TYR A 38 1.141 15.196 3.742 1.00 0.00 C ATOM 615 OH TYR A 38 0.816 15.618 5.015 1.00 0.00 O ATOM 0 H TYR A 38 1.696 13.141 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 38 0.456 14.999 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.832 12.848 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.235 13.898 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.008 16.119 1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.515 12.659 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.425 16.878 3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.068 13.418 3.849 1.00 0.00 H new ATOM 0 HH TYR A 38 0.202 14.974 5.426 1.00 0.00 H new ATOM 625 N LEU A 39 3.302 16.115 -2.158 1.00 0.00 N ATOM 626 CA LEU A 39 4.108 17.319 -2.330 1.00 0.00 C ATOM 627 C LEU A 39 3.212 18.533 -2.548 1.00 0.00 C ATOM 628 O LEU A 39 3.457 19.606 -1.995 1.00 0.00 O ATOM 629 CB LEU A 39 5.047 17.154 -3.526 1.00 0.00 C ATOM 630 CG LEU A 39 6.331 17.948 -3.282 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.229 17.180 -2.310 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.069 18.143 -4.609 1.00 0.00 C ATOM 0 H LEU A 39 3.622 15.308 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 39 4.697 17.472 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.282 16.100 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.559 17.503 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 39 6.082 18.920 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.144 17.746 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.705 17.038 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.479 16.208 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.984 18.709 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.318 17.170 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.431 18.689 -5.304 1.00 0.00 H new