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 16:sc= 0.776 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 9:sc= -0.32 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.12 (180deg=-1) 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 8.907 -41.151 -10.947 1.00 0.00 N ATOM 19 CA THR A 2 7.881 -40.529 -10.117 1.00 0.00 C ATOM 20 C THR A 2 8.521 -39.725 -8.990 1.00 0.00 C ATOM 21 O THR A 2 7.897 -38.832 -8.419 1.00 0.00 O ATOM 22 CB THR A 2 6.965 -41.603 -9.524 1.00 0.00 C ATOM 23 OG1 THR A 2 6.995 -42.759 -10.350 1.00 0.00 O ATOM 24 CG2 THR A 2 5.534 -41.069 -9.443 1.00 0.00 C ATOM 0 HA THR A 2 7.293 -39.856 -10.741 1.00 0.00 H new ATOM 0 HB THR A 2 7.311 -41.862 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.764 -42.708 -10.956 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.883 -41.835 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.512 -40.183 -8.808 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.186 -40.808 -10.442 1.00 0.00 H new ATOM 32 N TYR A 3 9.771 -40.050 -8.675 1.00 0.00 N ATOM 33 CA TYR A 3 10.488 -39.352 -7.613 1.00 0.00 C ATOM 34 C TYR A 3 10.533 -37.854 -7.889 1.00 0.00 C ATOM 35 O TYR A 3 10.493 -37.041 -6.965 1.00 0.00 O ATOM 36 CB TYR A 3 11.915 -39.894 -7.503 1.00 0.00 C ATOM 37 CG TYR A 3 11.910 -41.167 -6.693 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.049 -41.113 -5.301 1.00 0.00 C ATOM 39 CD2 TYR A 3 11.767 -42.404 -7.334 1.00 0.00 C ATOM 40 CE1 TYR A 3 12.045 -42.294 -4.550 1.00 0.00 C ATOM 41 CE2 TYR A 3 11.764 -43.585 -6.583 1.00 0.00 C ATOM 42 CZ TYR A 3 11.903 -43.530 -5.191 1.00 0.00 C ATOM 43 OH TYR A 3 11.899 -44.696 -4.451 1.00 0.00 O ATOM 0 H TYR A 3 10.305 -40.787 -9.136 1.00 0.00 H new ATOM 0 HA TYR A 3 9.960 -39.521 -6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.320 -40.085 -8.497 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.561 -39.153 -7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.159 -40.159 -4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.659 -42.447 -8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.151 -42.252 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.654 -44.539 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 3 11.790 -45.464 -5.051 1.00 0.00 H new ATOM 53 N PHE A 4 10.618 -37.494 -9.165 1.00 0.00 N ATOM 54 CA PHE A 4 10.670 -36.088 -9.549 1.00 0.00 C ATOM 55 C PHE A 4 9.494 -35.324 -8.951 1.00 0.00 C ATOM 56 O PHE A 4 9.660 -34.227 -8.416 1.00 0.00 O ATOM 57 CB PHE A 4 10.638 -35.961 -11.073 1.00 0.00 C ATOM 58 CG PHE A 4 10.443 -34.513 -11.453 1.00 0.00 C ATOM 59 CD1 PHE A 4 11.470 -33.589 -11.234 1.00 0.00 C ATOM 60 CD2 PHE A 4 9.233 -34.096 -12.020 1.00 0.00 C ATOM 61 CE1 PHE A 4 11.289 -32.245 -11.584 1.00 0.00 C ATOM 62 CE2 PHE A 4 9.052 -32.752 -12.370 1.00 0.00 C ATOM 63 CZ PHE A 4 10.080 -31.827 -12.153 1.00 0.00 C ATOM 0 H PHE A 4 10.652 -38.150 -9.945 1.00 0.00 H new ATOM 0 HA PHE A 4 11.598 -35.662 -9.167 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.567 -36.338 -11.500 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.830 -36.568 -11.482 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.402 -33.912 -10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.440 -34.810 -12.187 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.082 -31.531 -11.415 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.119 -32.429 -12.808 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.941 -30.791 -12.424 1.00 0.00 H new ATOM 73 N TYR A 5 8.304 -35.907 -9.050 1.00 0.00 N ATOM 74 CA TYR A 5 7.105 -35.270 -8.517 1.00 0.00 C ATOM 75 C TYR A 5 7.190 -35.142 -6.999 1.00 0.00 C ATOM 76 O TYR A 5 6.945 -34.070 -6.444 1.00 0.00 O ATOM 77 CB TYR A 5 5.870 -36.090 -8.895 1.00 0.00 C ATOM 78 CG TYR A 5 4.752 -35.160 -9.298 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.874 -34.658 -8.329 1.00 0.00 C ATOM 80 CD2 TYR A 5 4.592 -34.798 -10.641 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.838 -33.795 -8.703 1.00 0.00 C ATOM 82 CE2 TYR A 5 3.556 -33.934 -11.014 1.00 0.00 C ATOM 83 CZ TYR A 5 2.679 -33.433 -10.045 1.00 0.00 C ATOM 84 OH TYR A 5 1.657 -32.582 -10.414 1.00 0.00 O ATOM 0 H TYR A 5 8.144 -36.813 -9.491 1.00 0.00 H new ATOM 0 HA TYR A 5 7.026 -34.271 -8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.107 -36.767 -9.715 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.558 -36.707 -8.052 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.997 -34.937 -7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.268 -35.185 -11.389 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.161 -33.408 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.433 -33.654 -12.050 1.00 0.00 H new ATOM 0 HH TYR A 5 1.689 -32.432 -11.382 1.00 0.00 H new ATOM 94 N VAL A 6 7.534 -36.239 -6.334 1.00 0.00 N ATOM 95 CA VAL A 6 7.642 -36.236 -4.878 1.00 0.00 C ATOM 96 C VAL A 6 8.750 -35.293 -4.420 1.00 0.00 C ATOM 97 O VAL A 6 8.782 -34.874 -3.263 1.00 0.00 O ATOM 98 CB VAL A 6 7.934 -37.650 -4.373 1.00 0.00 C ATOM 99 CG1 VAL A 6 8.093 -37.624 -2.853 1.00 0.00 C ATOM 100 CG2 VAL A 6 6.774 -38.574 -4.750 1.00 0.00 C ATOM 0 H VAL A 6 7.742 -37.135 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 6 6.694 -35.890 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 6 8.854 -38.018 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.301 -38.631 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.918 -36.964 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.173 -37.258 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.980 -39.582 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.854 -38.208 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.660 -38.591 -5.834 1.00 0.00 H new ATOM 110 N THR A 7 9.658 -34.965 -5.333 1.00 0.00 N ATOM 111 CA THR A 7 10.764 -34.072 -5.008 1.00 0.00 C ATOM 112 C THR A 7 10.412 -32.630 -5.357 1.00 0.00 C ATOM 113 O THR A 7 10.872 -31.693 -4.705 1.00 0.00 O ATOM 114 CB THR A 7 12.018 -34.494 -5.776 1.00 0.00 C ATOM 115 OG1 THR A 7 11.722 -34.554 -7.165 1.00 0.00 O ATOM 116 CG2 THR A 7 12.479 -35.869 -5.290 1.00 0.00 C ATOM 0 H THR A 7 9.651 -35.301 -6.296 1.00 0.00 H new ATOM 0 HA THR A 7 10.955 -34.137 -3.937 1.00 0.00 H new ATOM 0 HB THR A 7 12.812 -33.767 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.829 -34.183 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.372 -36.168 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.706 -35.821 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.688 -36.599 -5.460 1.00 0.00 H new ATOM 124 N ASP A 8 9.596 -32.460 -6.392 1.00 0.00 N ATOM 125 CA ASP A 8 9.189 -31.126 -6.823 1.00 0.00 C ATOM 126 C ASP A 8 8.317 -30.463 -5.768 1.00 0.00 C ATOM 127 O ASP A 8 8.191 -29.238 -5.726 1.00 0.00 O ATOM 128 CB ASP A 8 8.426 -31.211 -8.145 1.00 0.00 C ATOM 129 CG ASP A 8 7.931 -29.828 -8.552 1.00 0.00 C ATOM 130 OD1 ASP A 8 8.762 -28.985 -8.844 1.00 0.00 O ATOM 131 OD2 ASP A 8 6.727 -29.631 -8.567 1.00 0.00 O ATOM 0 H ASP A 8 9.205 -33.223 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 8 10.086 -30.523 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.073 -31.618 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.582 -31.893 -8.044 1.00 0.00 H new ATOM 136 N TYR A 9 7.717 -31.282 -4.921 1.00 0.00 N ATOM 137 CA TYR A 9 6.850 -30.780 -3.861 1.00 0.00 C ATOM 138 C TYR A 9 7.620 -29.845 -2.932 1.00 0.00 C ATOM 139 O TYR A 9 7.077 -28.853 -2.447 1.00 0.00 O ATOM 140 CB TYR A 9 6.283 -31.950 -3.054 1.00 0.00 C ATOM 141 CG TYR A 9 4.906 -31.593 -2.546 1.00 0.00 C ATOM 142 CD1 TYR A 9 3.802 -31.665 -3.405 1.00 0.00 C ATOM 143 CD2 TYR A 9 4.732 -31.191 -1.216 1.00 0.00 C ATOM 144 CE1 TYR A 9 2.525 -31.335 -2.933 1.00 0.00 C ATOM 145 CE2 TYR A 9 3.456 -30.862 -0.744 1.00 0.00 C ATOM 146 CZ TYR A 9 2.352 -30.934 -1.603 1.00 0.00 C ATOM 147 OH TYR A 9 1.093 -30.609 -1.138 1.00 0.00 O ATOM 0 H TYR A 9 7.812 -32.297 -4.944 1.00 0.00 H new ATOM 0 HA TYR A 9 6.033 -30.223 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.232 -32.844 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.942 -32.181 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.935 -31.975 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.583 -31.135 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.674 -31.390 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.323 -30.553 0.282 1.00 0.00 H new ATOM 0 HH TYR A 9 1.149 -30.353 -0.194 1.00 0.00 H new ATOM 157 N LEU A 10 8.885 -30.170 -2.687 1.00 0.00 N ATOM 158 CA LEU A 10 9.718 -29.353 -1.813 1.00 0.00 C ATOM 159 C LEU A 10 10.141 -28.068 -2.519 1.00 0.00 C ATOM 160 O LEU A 10 11.280 -27.621 -2.384 1.00 0.00 O ATOM 161 CB LEU A 10 10.961 -30.137 -1.389 1.00 0.00 C ATOM 162 CG LEU A 10 10.577 -31.589 -1.106 1.00 0.00 C ATOM 163 CD1 LEU A 10 11.842 -32.421 -0.896 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.714 -31.650 0.157 1.00 0.00 C ATOM 0 H LEU A 10 9.353 -30.987 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 10 9.135 -29.093 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.715 -30.096 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.402 -29.687 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 10 10.016 -31.987 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.567 -33.456 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.459 -32.378 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.403 -32.023 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.439 -32.685 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.276 -31.251 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.811 -31.057 0.010 1.00 0.00 H new ATOM 272 N LYS A 18 3.481 -13.522 -5.052 1.00 0.00 N ATOM 273 CA LYS A 18 2.806 -12.486 -5.819 1.00 0.00 C ATOM 274 C LYS A 18 1.319 -12.554 -5.544 1.00 0.00 C ATOM 275 O LYS A 18 0.609 -11.551 -5.598 1.00 0.00 O ATOM 276 CB LYS A 18 3.068 -12.677 -7.314 1.00 0.00 C ATOM 277 CG LYS A 18 2.209 -11.696 -8.114 1.00 0.00 C ATOM 278 CD LYS A 18 3.064 -11.031 -9.194 1.00 0.00 C ATOM 279 CE LYS A 18 2.266 -9.906 -9.856 1.00 0.00 C ATOM 280 NZ LYS A 18 1.897 -8.890 -8.831 1.00 0.00 N ATOM 0 HA LYS A 18 3.190 -11.510 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.123 -12.514 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.836 -13.701 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.370 -12.220 -8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.789 -10.940 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.979 -10.633 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.363 -11.767 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.857 -9.443 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.368 -10.309 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.782 -7.962 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.003 -9.165 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.648 -8.832 -8.113 1.00 0.00 H new ATOM 294 N ILE A 19 0.869 -13.755 -5.221 1.00 0.00 N ATOM 295 CA ILE A 19 -0.530 -13.976 -4.900 1.00 0.00 C ATOM 296 C ILE A 19 -0.743 -13.669 -3.429 1.00 0.00 C ATOM 297 O ILE A 19 -1.865 -13.438 -2.980 1.00 0.00 O ATOM 298 CB ILE A 19 -0.918 -15.426 -5.189 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.036 -15.631 -6.701 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.263 -15.735 -4.527 1.00 0.00 C ATOM 301 CD1 ILE A 19 -0.789 -17.102 -7.039 1.00 0.00 C ATOM 0 H ILE A 19 1.452 -14.591 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.154 -13.325 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.154 -16.093 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.026 -15.330 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.314 -15.001 -7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.541 -16.769 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.181 -15.589 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.027 -15.068 -4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.873 -17.247 -8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.211 -17.388 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.528 -17.721 -6.531 1.00 0.00 H new ATOM 313 N ILE A 20 0.360 -13.667 -2.686 1.00 0.00 N ATOM 314 CA ILE A 20 0.305 -13.382 -1.256 1.00 0.00 C ATOM 315 C ILE A 20 0.565 -11.902 -0.993 1.00 0.00 C ATOM 316 O ILE A 20 -0.179 -11.251 -0.260 1.00 0.00 O ATOM 317 CB ILE A 20 1.343 -14.219 -0.510 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.830 -15.656 -0.365 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.577 -13.622 0.878 1.00 0.00 C ATOM 320 CD1 ILE A 20 1.977 -16.565 0.083 1.00 0.00 C ATOM 0 H ILE A 20 1.295 -13.858 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.692 -13.637 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 20 2.279 -14.220 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.018 -15.692 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.424 -16.006 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.317 -14.219 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.940 -12.599 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.641 -13.622 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.612 -17.587 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.774 -16.538 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.362 -16.219 1.042 1.00 0.00 H new ATOM 332 N ILE A 21 1.630 -11.376 -1.592 1.00 0.00 N ATOM 333 CA ILE A 21 1.981 -9.972 -1.411 1.00 0.00 C ATOM 334 C ILE A 21 1.279 -9.100 -2.447 1.00 0.00 C ATOM 335 O ILE A 21 1.209 -7.879 -2.298 1.00 0.00 O ATOM 336 CB ILE A 21 3.496 -9.795 -1.529 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.189 -10.641 -0.459 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.856 -8.323 -1.327 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.706 -10.521 -0.614 1.00 0.00 C ATOM 0 H ILE A 21 2.260 -11.897 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 21 1.655 -9.662 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 21 3.824 -10.115 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.887 -10.308 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.885 -11.684 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.935 -8.198 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.360 -7.720 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.529 -8.001 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.199 -11.124 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.000 -10.875 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.002 -9.478 -0.499 1.00 0.00 H new ATOM 351 N GLY A 22 0.762 -9.731 -3.496 1.00 0.00 N ATOM 352 CA GLY A 22 0.066 -8.997 -4.548 1.00 0.00 C ATOM 353 C GLY A 22 -0.887 -7.969 -3.950 1.00 0.00 C ATOM 354 O GLY A 22 -0.805 -6.777 -4.251 1.00 0.00 O ATOM 0 H GLY A 22 0.810 -10.740 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.791 -8.497 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.490 -9.693 -5.177 1.00 0.00 H new ATOM 358 N PRO A 23 -1.781 -8.411 -3.108 1.00 0.00 N ATOM 359 CA PRO A 23 -2.772 -7.517 -2.444 1.00 0.00 C ATOM 360 C PRO A 23 -2.089 -6.349 -1.743 1.00 0.00 C ATOM 361 O PRO A 23 -2.673 -5.276 -1.589 1.00 0.00 O ATOM 362 CB PRO A 23 -3.476 -8.429 -1.434 1.00 0.00 C ATOM 363 CG PRO A 23 -3.265 -9.820 -1.935 1.00 0.00 C ATOM 364 CD PRO A 23 -1.942 -9.813 -2.699 1.00 0.00 C ATOM 0 HA PRO A 23 -3.462 -7.064 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.058 -8.304 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.538 -8.193 -1.367 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.231 -10.529 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.085 -10.127 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.115 -10.144 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.974 -10.480 -3.561 1.00 0.00 H new ATOM 372 N LEU A 24 -0.842 -6.561 -1.333 1.00 0.00 N ATOM 373 CA LEU A 24 -0.085 -5.513 -0.665 1.00 0.00 C ATOM 374 C LEU A 24 0.489 -4.558 -1.696 1.00 0.00 C ATOM 375 O LEU A 24 0.466 -3.341 -1.515 1.00 0.00 O ATOM 376 CB LEU A 24 1.046 -6.121 0.168 1.00 0.00 C ATOM 377 CG LEU A 24 0.694 -6.031 1.654 1.00 0.00 C ATOM 378 CD1 LEU A 24 1.705 -6.843 2.466 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.742 -4.568 2.099 1.00 0.00 C ATOM 0 H LEU A 24 -0.340 -7.441 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.753 -4.966 0.000 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.202 -7.161 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.980 -5.593 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.308 -6.429 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.456 -6.780 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.675 -7.885 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.706 -6.443 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.491 -4.501 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.744 -4.171 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.024 -3.988 1.519 1.00 0.00 H new ATOM 391 N ILE A 25 0.977 -5.119 -2.793 1.00 0.00 N ATOM 392 CA ILE A 25 1.525 -4.306 -3.863 1.00 0.00 C ATOM 393 C ILE A 25 0.521 -3.222 -4.226 1.00 0.00 C ATOM 394 O ILE A 25 0.893 -2.116 -4.616 1.00 0.00 O ATOM 395 CB ILE A 25 1.820 -5.173 -5.089 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.150 -5.903 -4.886 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.911 -4.286 -6.331 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.420 -6.813 -6.086 1.00 0.00 C ATOM 0 H ILE A 25 1.004 -6.124 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 25 2.457 -3.849 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 25 1.020 -5.901 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.960 -5.182 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.118 -6.492 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.121 -4.903 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.965 -3.763 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.712 -3.558 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.367 -7.333 -5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.615 -7.543 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.470 -6.212 -6.994 1.00 0.00 H new ATOM 410 N PHE A 26 -0.760 -3.558 -4.091 1.00 0.00 N ATOM 411 CA PHE A 26 -1.825 -2.613 -4.403 1.00 0.00 C ATOM 412 C PHE A 26 -1.750 -1.399 -3.484 1.00 0.00 C ATOM 413 O PHE A 26 -1.771 -0.258 -3.943 1.00 0.00 O ATOM 414 CB PHE A 26 -3.188 -3.292 -4.245 1.00 0.00 C ATOM 415 CG PHE A 26 -4.267 -2.388 -4.790 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.647 -1.243 -4.078 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.890 -2.694 -6.006 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.648 -0.405 -4.583 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.890 -1.855 -6.511 1.00 0.00 C ATOM 420 CZ PHE A 26 -6.270 -0.711 -5.799 1.00 0.00 C ATOM 0 H PHE A 26 -1.082 -4.471 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.701 -2.282 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.195 -4.245 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.378 -3.510 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.168 -1.007 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.599 -3.578 -6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.941 0.478 -4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.369 -2.090 -7.450 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.043 -0.065 -6.188 1.00 0.00 H new ATOM 430 N VAL A 27 -1.657 -1.654 -2.183 1.00 0.00 N ATOM 431 CA VAL A 27 -1.573 -0.573 -1.207 1.00 0.00 C ATOM 432 C VAL A 27 -0.258 0.180 -1.368 1.00 0.00 C ATOM 433 O VAL A 27 -0.188 1.387 -1.137 1.00 0.00 O ATOM 434 CB VAL A 27 -1.673 -1.139 0.210 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.971 -0.006 1.193 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.802 -2.170 0.265 1.00 0.00 C ATOM 0 H VAL A 27 -1.638 -2.592 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.400 0.117 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.730 -1.614 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.042 -0.410 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.169 0.731 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.915 0.469 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.876 -2.575 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.744 -1.692 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.592 -2.978 -0.436 1.00 0.00 H new ATOM 446 N PHE A 28 0.781 -0.542 -1.772 1.00 0.00 N ATOM 447 CA PHE A 28 2.092 0.060 -1.971 1.00 0.00 C ATOM 448 C PHE A 28 2.064 0.985 -3.182 1.00 0.00 C ATOM 449 O PHE A 28 2.725 2.025 -3.200 1.00 0.00 O ATOM 450 CB PHE A 28 3.139 -1.034 -2.187 1.00 0.00 C ATOM 451 CG PHE A 28 4.409 -0.670 -1.459 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.552 -0.983 -0.101 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.446 -0.021 -2.140 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.731 -0.647 0.574 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.624 0.316 -1.464 1.00 0.00 C ATOM 456 CZ PHE A 28 6.767 0.002 -0.108 1.00 0.00 C ATOM 0 H PHE A 28 0.740 -1.542 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 28 2.352 0.639 -1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.761 -1.990 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.340 -1.154 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.752 -1.484 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.337 0.220 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.842 -0.888 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.423 0.819 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.677 0.260 0.413 1.00 0.00 H new ATOM 466 N LEU A 29 1.291 0.598 -4.189 1.00 0.00 N ATOM 467 CA LEU A 29 1.173 1.393 -5.404 1.00 0.00 C ATOM 468 C LEU A 29 0.333 2.639 -5.145 1.00 0.00 C ATOM 469 O LEU A 29 0.576 3.696 -5.726 1.00 0.00 O ATOM 470 CB LEU A 29 0.525 0.559 -6.510 1.00 0.00 C ATOM 471 CG LEU A 29 1.370 0.647 -7.782 1.00 0.00 C ATOM 472 CD1 LEU A 29 0.825 -0.329 -8.827 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.308 2.073 -8.335 1.00 0.00 C ATOM 0 H LEU A 29 0.738 -0.259 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 29 2.171 1.699 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.436 -0.480 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.485 0.919 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 29 2.404 0.390 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.428 -0.266 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.867 -1.345 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.209 -0.073 -9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.910 2.138 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.274 2.329 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.696 2.769 -7.591 1.00 0.00 H new ATOM 485 N PHE A 30 -0.657 2.505 -4.268 1.00 0.00 N ATOM 486 CA PHE A 30 -1.528 3.628 -3.941 1.00 0.00 C ATOM 487 C PHE A 30 -0.800 4.626 -3.047 1.00 0.00 C ATOM 488 O PHE A 30 -0.926 5.839 -3.224 1.00 0.00 O ATOM 489 CB PHE A 30 -2.786 3.126 -3.229 1.00 0.00 C ATOM 490 CG PHE A 30 -3.636 4.306 -2.826 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.463 4.929 -3.768 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.597 4.779 -1.508 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.251 6.024 -3.393 1.00 0.00 C ATOM 494 CE2 PHE A 30 -4.386 5.873 -1.133 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.213 6.496 -2.075 1.00 0.00 C ATOM 0 H PHE A 30 -0.875 1.639 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.811 4.125 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.350 2.464 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.512 2.543 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.493 4.565 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.958 4.300 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.888 6.505 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.357 6.236 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.821 7.340 -1.786 1.00 0.00 H new ATOM 505 N SER A 31 -0.037 4.111 -2.089 1.00 0.00 N ATOM 506 CA SER A 31 0.708 4.971 -1.176 1.00 0.00 C ATOM 507 C SER A 31 1.816 5.704 -1.922 1.00 0.00 C ATOM 508 O SER A 31 2.111 6.864 -1.637 1.00 0.00 O ATOM 509 CB SER A 31 1.314 4.137 -0.047 1.00 0.00 C ATOM 510 OG SER A 31 2.300 4.907 0.628 1.00 0.00 O ATOM 0 H SER A 31 0.082 3.111 -1.925 1.00 0.00 H new ATOM 0 HA SER A 31 0.021 5.704 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.536 3.829 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.759 3.227 -0.450 1.00 0.00 H new ATOM 0 HG SER A 31 2.690 4.376 1.354 1.00 0.00 H new ATOM 516 N VAL A 32 2.422 5.011 -2.873 1.00 0.00 N ATOM 517 CA VAL A 32 3.503 5.589 -3.663 1.00 0.00 C ATOM 518 C VAL A 32 2.976 6.695 -4.573 1.00 0.00 C ATOM 519 O VAL A 32 3.535 7.791 -4.619 1.00 0.00 O ATOM 520 CB VAL A 32 4.165 4.501 -4.510 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.866 5.140 -5.709 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.190 3.748 -3.660 1.00 0.00 C ATOM 0 H VAL A 32 2.186 4.049 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 32 4.236 6.019 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 32 3.405 3.805 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.337 4.363 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.135 5.676 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.626 5.837 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.663 2.972 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.949 4.444 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.689 3.290 -2.807 1.00 0.00 H new ATOM 532 N VAL A 33 1.900 6.401 -5.295 1.00 0.00 N ATOM 533 CA VAL A 33 1.310 7.381 -6.200 1.00 0.00 C ATOM 534 C VAL A 33 0.907 8.639 -5.438 1.00 0.00 C ATOM 535 O VAL A 33 1.352 9.740 -5.761 1.00 0.00 O ATOM 536 CB VAL A 33 0.083 6.783 -6.890 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.500 7.802 -7.871 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.495 5.522 -7.652 1.00 0.00 C ATOM 0 H VAL A 33 1.422 5.500 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 33 2.053 7.648 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.668 6.530 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.374 7.375 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.791 8.702 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.250 8.056 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.378 5.093 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.245 5.778 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.911 4.795 -6.955 1.00 0.00 H new ATOM 548 N ILE A 34 0.068 8.466 -4.423 1.00 0.00 N ATOM 549 CA ILE A 34 -0.384 9.594 -3.616 1.00 0.00 C ATOM 550 C ILE A 34 0.788 10.221 -2.878 1.00 0.00 C ATOM 551 O ILE A 34 0.718 11.364 -2.429 1.00 0.00 O ATOM 552 CB ILE A 34 -1.443 9.134 -2.614 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.053 10.357 -1.924 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.794 8.229 -1.565 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.257 9.926 -1.084 1.00 0.00 C ATOM 0 H ILE A 34 -0.311 7.562 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.822 10.340 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.224 8.582 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.308 10.838 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.361 11.091 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.549 7.901 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.356 7.359 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.014 8.781 -1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.690 10.798 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.004 9.465 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.936 9.208 -0.330 1.00 0.00 H new ATOM 567 N GLY A 35 1.862 9.461 -2.754 1.00 0.00 N ATOM 568 CA GLY A 35 3.052 9.944 -2.067 1.00 0.00 C ATOM 569 C GLY A 35 3.714 11.062 -2.851 1.00 0.00 C ATOM 570 O GLY A 35 3.903 12.167 -2.343 1.00 0.00 O ATOM 0 H GLY A 35 1.937 8.511 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.783 10.301 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.756 9.123 -1.931 1.00 0.00 H new ATOM 574 N SER A 36 4.048 10.770 -4.098 1.00 0.00 N ATOM 575 CA SER A 36 4.670 11.761 -4.957 1.00 0.00 C ATOM 576 C SER A 36 3.660 12.851 -5.254 1.00 0.00 C ATOM 577 O SER A 36 4.017 13.993 -5.543 1.00 0.00 O ATOM 578 CB SER A 36 5.138 11.116 -6.261 1.00 0.00 C ATOM 579 OG SER A 36 6.369 11.701 -6.660 1.00 0.00 O ATOM 0 H SER A 36 3.899 9.860 -4.535 1.00 0.00 H new ATOM 0 HA SER A 36 5.538 12.185 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.260 10.041 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.387 11.255 -7.039 1.00 0.00 H new ATOM 0 HG SER A 36 6.672 11.288 -7.495 1.00 0.00 H new ATOM 585 N ILE A 37 2.389 12.479 -5.172 1.00 0.00 N ATOM 586 CA ILE A 37 1.311 13.427 -5.428 1.00 0.00 C ATOM 587 C ILE A 37 1.175 14.395 -4.257 1.00 0.00 C ATOM 588 O ILE A 37 0.928 15.586 -4.446 1.00 0.00 O ATOM 589 CB ILE A 37 -0.011 12.674 -5.670 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.625 13.141 -6.993 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.004 12.948 -4.535 1.00 0.00 C ATOM 592 CD1 ILE A 37 0.120 12.493 -8.161 1.00 0.00 C ATOM 0 H ILE A 37 2.080 11.537 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 37 1.548 14.001 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 37 0.199 11.605 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.681 12.875 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.567 14.227 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.931 12.407 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.576 12.615 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.211 14.017 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.318 12.826 -9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.171 12.782 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.039 11.408 -8.087 1.00 0.00 H new ATOM 604 N TYR A 38 1.343 13.872 -3.047 1.00 0.00 N ATOM 605 CA TYR A 38 1.242 14.696 -1.847 1.00 0.00 C ATOM 606 C TYR A 38 2.153 15.914 -1.960 1.00 0.00 C ATOM 607 O TYR A 38 1.766 17.027 -1.603 1.00 0.00 O ATOM 608 CB TYR A 38 1.629 13.877 -0.615 1.00 0.00 C ATOM 609 CG TYR A 38 0.772 14.293 0.558 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.500 13.734 0.728 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.251 15.238 1.473 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.294 14.120 1.816 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.456 15.624 2.560 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.816 15.065 2.731 1.00 0.00 C ATOM 615 OH TYR A 38 -1.598 15.446 3.802 1.00 0.00 O ATOM 0 H TYR A 38 1.548 12.888 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 38 0.211 15.034 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.497 12.814 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.683 14.029 -0.381 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.869 13.006 0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.232 15.669 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.275 13.688 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.825 16.353 3.266 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.116 16.108 4.340 1.00 0.00 H new ATOM 625 N LEU A 39 3.365 15.696 -2.461 1.00 0.00 N ATOM 626 CA LEU A 39 4.322 16.785 -2.618 1.00 0.00 C ATOM 627 C LEU A 39 3.646 18.001 -3.242 1.00 0.00 C ATOM 628 O LEU A 39 3.814 19.127 -2.772 1.00 0.00 O ATOM 629 CB LEU A 39 5.487 16.335 -3.503 1.00 0.00 C ATOM 630 CG LEU A 39 6.277 15.239 -2.787 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.472 14.825 -3.647 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.778 15.769 -1.441 1.00 0.00 C ATOM 0 H LEU A 39 3.705 14.783 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 39 4.701 17.057 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.111 15.964 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.137 17.181 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 39 5.632 14.376 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.035 14.044 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.117 14.448 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.117 15.688 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.341 14.989 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.422 16.632 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.927 16.064 -0.827 1.00 0.00 H new