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 -29:sc= 0.449 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 -86:sc= 1.06 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 21.857 -31.646 -9.726 1.00 0.00 N ATOM 19 CA THR A 2 20.470 -31.651 -10.174 1.00 0.00 C ATOM 20 C THR A 2 19.522 -31.620 -8.979 1.00 0.00 C ATOM 21 O THR A 2 18.309 -31.480 -9.140 1.00 0.00 O ATOM 22 CB THR A 2 20.195 -32.901 -11.013 1.00 0.00 C ATOM 23 OG1 THR A 2 20.859 -34.014 -10.432 1.00 0.00 O ATOM 24 CG2 THR A 2 20.709 -32.685 -12.438 1.00 0.00 C ATOM 0 HA THR A 2 20.301 -30.762 -10.782 1.00 0.00 H new ATOM 0 HB THR A 2 19.122 -33.091 -11.041 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.663 -33.707 -9.964 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.513 -33.576 -13.035 1.00 0.00 H new ATOM 0 HG22 THR A 2 20.199 -31.831 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.782 -32.494 -12.413 1.00 0.00 H new ATOM 32 N TYR A 3 20.084 -31.751 -7.782 1.00 0.00 N ATOM 33 CA TYR A 3 19.280 -31.737 -6.566 1.00 0.00 C ATOM 34 C TYR A 3 18.392 -30.498 -6.527 1.00 0.00 C ATOM 35 O TYR A 3 17.293 -30.527 -5.973 1.00 0.00 O ATOM 36 CB TYR A 3 20.191 -31.754 -5.337 1.00 0.00 C ATOM 37 CG TYR A 3 20.651 -33.167 -5.072 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.800 -34.070 -4.424 1.00 0.00 C ATOM 39 CD2 TYR A 3 21.929 -33.574 -5.472 1.00 0.00 C ATOM 40 CE1 TYR A 3 20.227 -35.380 -4.177 1.00 0.00 C ATOM 41 CE2 TYR A 3 22.356 -34.884 -5.226 1.00 0.00 C ATOM 42 CZ TYR A 3 21.505 -35.787 -4.577 1.00 0.00 C ATOM 43 OH TYR A 3 21.926 -37.079 -4.335 1.00 0.00 O ATOM 0 H TYR A 3 21.086 -31.867 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 3 18.647 -32.624 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 3 21.051 -31.104 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.657 -31.365 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.814 -33.756 -4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.586 -32.877 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 3 19.570 -36.077 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 3 23.341 -35.198 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 3 22.837 -37.196 -4.677 1.00 0.00 H new ATOM 53 N PHE A 4 18.875 -29.411 -7.119 1.00 0.00 N ATOM 54 CA PHE A 4 18.115 -28.167 -7.145 1.00 0.00 C ATOM 55 C PHE A 4 16.658 -28.441 -7.504 1.00 0.00 C ATOM 56 O PHE A 4 15.755 -27.735 -7.054 1.00 0.00 O ATOM 57 CB PHE A 4 18.721 -27.203 -8.166 1.00 0.00 C ATOM 58 CG PHE A 4 18.312 -25.789 -7.830 1.00 0.00 C ATOM 59 CD1 PHE A 4 19.105 -25.015 -6.975 1.00 0.00 C ATOM 60 CD2 PHE A 4 17.140 -25.251 -8.376 1.00 0.00 C ATOM 61 CE1 PHE A 4 18.725 -23.705 -6.663 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.760 -23.940 -8.065 1.00 0.00 C ATOM 63 CZ PHE A 4 17.553 -23.167 -7.207 1.00 0.00 C ATOM 0 H PHE A 4 19.782 -29.366 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 4 18.157 -27.716 -6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 19.808 -27.289 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.384 -27.461 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.010 -25.429 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 4 16.529 -25.848 -9.037 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.336 -23.109 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.856 -23.525 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.260 -22.156 -6.965 1.00 0.00 H new ATOM 73 N TYR A 5 16.439 -29.470 -8.316 1.00 0.00 N ATOM 74 CA TYR A 5 15.087 -29.828 -8.727 1.00 0.00 C ATOM 75 C TYR A 5 14.439 -30.745 -7.696 1.00 0.00 C ATOM 76 O TYR A 5 13.244 -30.641 -7.423 1.00 0.00 O ATOM 77 CB TYR A 5 15.123 -30.530 -10.087 1.00 0.00 C ATOM 78 CG TYR A 5 13.810 -31.236 -10.323 1.00 0.00 C ATOM 79 CD1 TYR A 5 12.698 -30.515 -10.777 1.00 0.00 C ATOM 80 CD2 TYR A 5 13.702 -32.611 -10.086 1.00 0.00 C ATOM 81 CE1 TYR A 5 11.480 -31.170 -10.995 1.00 0.00 C ATOM 82 CE2 TYR A 5 12.483 -33.266 -10.303 1.00 0.00 C ATOM 83 CZ TYR A 5 11.373 -32.546 -10.757 1.00 0.00 C ATOM 84 OH TYR A 5 10.172 -33.191 -10.971 1.00 0.00 O ATOM 0 H TYR A 5 17.173 -30.066 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 5 14.497 -28.915 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 15.305 -29.803 -10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 5 15.944 -31.246 -10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.780 -29.454 -10.959 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.559 -33.167 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.623 -30.614 -11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.400 -34.327 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 5 10.270 -34.143 -10.759 1.00 0.00 H new ATOM 94 N VAL A 6 15.236 -31.644 -7.127 1.00 0.00 N ATOM 95 CA VAL A 6 14.727 -32.575 -6.126 1.00 0.00 C ATOM 96 C VAL A 6 14.478 -31.857 -4.804 1.00 0.00 C ATOM 97 O VAL A 6 13.738 -32.346 -3.951 1.00 0.00 O ATOM 98 CB VAL A 6 15.729 -33.710 -5.912 1.00 0.00 C ATOM 99 CG1 VAL A 6 15.100 -34.786 -5.023 1.00 0.00 C ATOM 100 CG2 VAL A 6 16.102 -34.321 -7.265 1.00 0.00 C ATOM 0 H VAL A 6 16.228 -31.747 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 6 13.784 -32.986 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 6 16.624 -33.318 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.814 -35.595 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.833 -34.352 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.205 -35.179 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.816 -35.130 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.206 -34.713 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.550 -33.556 -7.899 1.00 0.00 H new ATOM 110 N THR A 7 15.098 -30.692 -4.642 1.00 0.00 N ATOM 111 CA THR A 7 14.932 -29.916 -3.417 1.00 0.00 C ATOM 112 C THR A 7 13.813 -28.895 -3.582 1.00 0.00 C ATOM 113 O THR A 7 13.122 -28.556 -2.622 1.00 0.00 O ATOM 114 CB THR A 7 16.237 -29.199 -3.071 1.00 0.00 C ATOM 115 OG1 THR A 7 16.762 -28.583 -4.238 1.00 0.00 O ATOM 116 CG2 THR A 7 17.247 -30.209 -2.527 1.00 0.00 C ATOM 0 H THR A 7 15.714 -30.268 -5.336 1.00 0.00 H new ATOM 0 HA THR A 7 14.670 -30.598 -2.608 1.00 0.00 H new ATOM 0 HB THR A 7 16.044 -28.438 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.312 -29.228 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.177 -29.697 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.844 -30.680 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.441 -30.971 -3.281 1.00 0.00 H new ATOM 124 N ASP A 8 13.640 -28.410 -4.807 1.00 0.00 N ATOM 125 CA ASP A 8 12.600 -27.428 -5.089 1.00 0.00 C ATOM 126 C ASP A 8 11.224 -28.065 -4.969 1.00 0.00 C ATOM 127 O ASP A 8 10.221 -27.380 -4.771 1.00 0.00 O ATOM 128 CB ASP A 8 12.784 -26.858 -6.497 1.00 0.00 C ATOM 129 CG ASP A 8 11.807 -25.710 -6.727 1.00 0.00 C ATOM 130 OD1 ASP A 8 11.801 -24.794 -5.920 1.00 0.00 O ATOM 131 OD2 ASP A 8 11.080 -25.763 -7.705 1.00 0.00 O ATOM 0 H ASP A 8 14.202 -28.678 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 8 12.680 -26.620 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.808 -26.506 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.621 -27.640 -7.239 1.00 0.00 H new ATOM 136 N TYR A 9 11.192 -29.381 -5.090 1.00 0.00 N ATOM 137 CA TYR A 9 9.941 -30.123 -4.996 1.00 0.00 C ATOM 138 C TYR A 9 9.432 -30.135 -3.559 1.00 0.00 C ATOM 139 O TYR A 9 8.304 -30.550 -3.293 1.00 0.00 O ATOM 140 CB TYR A 9 10.150 -31.560 -5.479 1.00 0.00 C ATOM 141 CG TYR A 9 8.848 -32.320 -5.378 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.807 -32.046 -6.272 1.00 0.00 C ATOM 143 CD2 TYR A 9 8.685 -33.303 -4.393 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.602 -32.752 -6.181 1.00 0.00 C ATOM 145 CE2 TYR A 9 7.480 -34.009 -4.303 1.00 0.00 C ATOM 146 CZ TYR A 9 6.438 -33.733 -5.197 1.00 0.00 C ATOM 147 OH TYR A 9 5.249 -34.430 -5.107 1.00 0.00 O ATOM 0 H TYR A 9 12.016 -29.960 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 9 9.200 -29.632 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.505 -31.561 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.916 -32.049 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.933 -31.290 -7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.489 -33.516 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.798 -32.539 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.354 -34.767 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 9 5.303 -35.075 -4.371 1.00 0.00 H new ATOM 157 N LEU A 10 10.270 -29.678 -2.634 1.00 0.00 N ATOM 158 CA LEU A 10 9.894 -29.642 -1.226 1.00 0.00 C ATOM 159 C LEU A 10 9.715 -28.203 -0.755 1.00 0.00 C ATOM 160 O LEU A 10 9.869 -27.904 0.429 1.00 0.00 O ATOM 161 CB LEU A 10 10.967 -30.329 -0.380 1.00 0.00 C ATOM 162 CG LEU A 10 10.950 -31.833 -0.654 1.00 0.00 C ATOM 163 CD1 LEU A 10 12.111 -32.196 -1.582 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.097 -32.594 0.666 1.00 0.00 C ATOM 0 H LEU A 10 11.208 -29.330 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 10 8.948 -30.170 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.949 -29.917 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.787 -30.140 0.678 1.00 0.00 H new ATOM 0 HG LEU A 10 10.007 -32.105 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.099 -33.268 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.008 -31.655 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.054 -31.924 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.085 -33.666 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.040 -32.322 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.271 -32.336 1.328 1.00 0.00 H new ATOM 272 N LYS A 18 3.230 -14.297 -5.016 1.00 0.00 N ATOM 273 CA LYS A 18 2.682 -13.258 -5.875 1.00 0.00 C ATOM 274 C LYS A 18 1.251 -12.982 -5.466 1.00 0.00 C ATOM 275 O LYS A 18 0.741 -11.873 -5.617 1.00 0.00 O ATOM 276 CB LYS A 18 2.729 -13.701 -7.340 1.00 0.00 C ATOM 277 CG LYS A 18 2.525 -12.486 -8.249 1.00 0.00 C ATOM 278 CD LYS A 18 2.633 -12.917 -9.713 1.00 0.00 C ATOM 279 CE LYS A 18 4.107 -13.058 -10.098 1.00 0.00 C ATOM 280 NZ LYS A 18 4.454 -12.031 -11.121 1.00 0.00 N ATOM 0 HA LYS A 18 3.277 -12.351 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.687 -14.174 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.956 -14.445 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.549 -12.039 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.272 -11.724 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.115 -13.864 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.147 -12.183 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.737 -12.937 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.297 -14.057 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.456 -12.127 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.861 -12.167 -11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.287 -11.082 -10.730 1.00 0.00 H new ATOM 294 N ILE A 19 0.623 -14.012 -4.922 1.00 0.00 N ATOM 295 CA ILE A 19 -0.746 -13.902 -4.454 1.00 0.00 C ATOM 296 C ILE A 19 -0.742 -13.333 -3.046 1.00 0.00 C ATOM 297 O ILE A 19 -1.753 -12.824 -2.562 1.00 0.00 O ATOM 298 CB ILE A 19 -1.415 -15.278 -4.457 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.658 -15.726 -5.902 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.750 -15.202 -3.715 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.541 -14.701 -6.618 1.00 0.00 C ATOM 0 H ILE A 19 1.041 -14.934 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.306 -13.242 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.765 -15.997 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.708 -15.830 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.137 -16.705 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.225 -16.183 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.577 -14.886 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.401 -14.482 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.712 -15.023 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.496 -14.619 -6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.044 -13.731 -6.619 1.00 0.00 H new ATOM 313 N ILE A 20 0.415 -13.425 -2.395 1.00 0.00 N ATOM 314 CA ILE A 20 0.552 -12.910 -1.034 1.00 0.00 C ATOM 315 C ILE A 20 1.033 -11.461 -1.048 1.00 0.00 C ATOM 316 O ILE A 20 0.582 -10.640 -0.249 1.00 0.00 O ATOM 317 CB ILE A 20 1.541 -13.767 -0.239 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.820 -14.995 0.329 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.130 -12.943 0.909 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.297 -14.553 1.281 1.00 0.00 C ATOM 0 H ILE A 20 1.261 -13.845 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.428 -12.952 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 20 2.345 -14.093 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.403 -15.590 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.530 -15.631 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.833 -13.556 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.649 -12.074 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.328 -12.612 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.804 -15.432 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.131 -13.977 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.013 -13.935 0.739 1.00 0.00 H new ATOM 332 N ILE A 21 1.952 -11.154 -1.957 1.00 0.00 N ATOM 333 CA ILE A 21 2.488 -9.801 -2.060 1.00 0.00 C ATOM 334 C ILE A 21 1.586 -8.927 -2.925 1.00 0.00 C ATOM 335 O ILE A 21 1.346 -7.764 -2.609 1.00 0.00 O ATOM 336 CB ILE A 21 3.893 -9.845 -2.668 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.660 -8.570 -2.294 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.784 -9.943 -4.191 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.878 -8.938 -1.445 1.00 0.00 C ATOM 0 H ILE A 21 2.339 -11.817 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 21 2.534 -9.372 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 21 4.426 -10.713 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.977 -8.046 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.010 -7.891 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.783 -9.974 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.243 -10.850 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.249 -9.074 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.423 -8.032 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.549 -9.443 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.531 -9.601 -2.013 1.00 0.00 H new ATOM 351 N GLY A 22 1.093 -9.496 -4.020 1.00 0.00 N ATOM 352 CA GLY A 22 0.222 -8.761 -4.929 1.00 0.00 C ATOM 353 C GLY A 22 -0.683 -7.792 -4.174 1.00 0.00 C ATOM 354 O GLY A 22 -0.719 -6.599 -4.474 1.00 0.00 O ATOM 0 H GLY A 22 1.281 -10.459 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.827 -8.210 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.388 -9.463 -5.497 1.00 0.00 H new ATOM 358 N PRO A 23 -1.415 -8.284 -3.210 1.00 0.00 N ATOM 359 CA PRO A 23 -2.348 -7.449 -2.399 1.00 0.00 C ATOM 360 C PRO A 23 -1.661 -6.229 -1.786 1.00 0.00 C ATOM 361 O PRO A 23 -2.243 -5.146 -1.726 1.00 0.00 O ATOM 362 CB PRO A 23 -2.844 -8.399 -1.305 1.00 0.00 C ATOM 363 CG PRO A 23 -2.623 -9.778 -1.836 1.00 0.00 C ATOM 364 CD PRO A 23 -1.432 -9.694 -2.789 1.00 0.00 C ATOM 0 HA PRO A 23 -3.152 -7.040 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.296 -8.245 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.898 -8.228 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.421 -10.478 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.510 -10.140 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.503 -9.974 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.553 -10.364 -3.640 1.00 0.00 H new ATOM 372 N LEU A 24 -0.427 -6.410 -1.326 1.00 0.00 N ATOM 373 CA LEU A 24 0.312 -5.310 -0.716 1.00 0.00 C ATOM 374 C LEU A 24 0.933 -4.417 -1.780 1.00 0.00 C ATOM 375 O LEU A 24 0.937 -3.193 -1.652 1.00 0.00 O ATOM 376 CB LEU A 24 1.405 -5.856 0.208 1.00 0.00 C ATOM 377 CG LEU A 24 1.114 -5.441 1.652 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.094 -6.220 2.175 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.333 -5.749 2.525 1.00 0.00 C ATOM 0 H LEU A 24 0.077 -7.296 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.388 -4.714 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.448 -6.943 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.379 -5.476 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 24 0.900 -4.373 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.300 -5.924 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.963 -6.004 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.120 -7.288 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.127 -5.454 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.545 -6.818 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.195 -5.195 2.154 1.00 0.00 H new ATOM 391 N ILE A 25 1.444 -5.031 -2.836 1.00 0.00 N ATOM 392 CA ILE A 25 2.046 -4.273 -3.919 1.00 0.00 C ATOM 393 C ILE A 25 1.087 -3.176 -4.357 1.00 0.00 C ATOM 394 O ILE A 25 1.503 -2.094 -4.772 1.00 0.00 O ATOM 395 CB ILE A 25 2.367 -5.205 -5.094 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.736 -4.839 -5.670 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.303 -5.070 -6.189 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.835 -5.508 -4.842 1.00 0.00 C ATOM 0 H ILE A 25 1.454 -6.043 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 25 2.975 -3.819 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 25 2.376 -6.235 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.803 -5.161 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.868 -3.757 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.545 -5.738 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.327 -5.335 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.279 -4.041 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.810 -5.247 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.773 -5.165 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.706 -6.590 -4.873 1.00 0.00 H new ATOM 410 N PHE A 26 -0.203 -3.474 -4.261 1.00 0.00 N ATOM 411 CA PHE A 26 -1.231 -2.516 -4.649 1.00 0.00 C ATOM 412 C PHE A 26 -1.236 -1.323 -3.700 1.00 0.00 C ATOM 413 O PHE A 26 -1.238 -0.172 -4.136 1.00 0.00 O ATOM 414 CB PHE A 26 -2.603 -3.190 -4.639 1.00 0.00 C ATOM 415 CG PHE A 26 -2.757 -4.034 -5.882 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.771 -3.426 -7.143 1.00 0.00 C ATOM 417 CD2 PHE A 26 -2.885 -5.423 -5.775 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.912 -4.207 -8.296 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.026 -6.205 -6.927 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.040 -5.597 -8.188 1.00 0.00 C ATOM 0 H PHE A 26 -0.561 -4.366 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.011 -2.161 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.709 -3.811 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.390 -2.437 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.673 -2.354 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.875 -5.892 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.922 -3.738 -9.269 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.124 -7.277 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.150 -6.200 -9.077 1.00 0.00 H new ATOM 430 N VAL A 27 -1.234 -1.606 -2.401 1.00 0.00 N ATOM 431 CA VAL A 27 -1.235 -0.545 -1.402 1.00 0.00 C ATOM 432 C VAL A 27 0.056 0.263 -1.486 1.00 0.00 C ATOM 433 O VAL A 27 0.065 1.468 -1.237 1.00 0.00 O ATOM 434 CB VAL A 27 -1.376 -1.144 -0.002 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.263 -0.033 1.042 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.741 -1.825 0.123 1.00 0.00 C ATOM 0 H VAL A 27 -1.232 -2.552 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.080 0.115 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.586 -1.877 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.364 -0.460 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.292 0.454 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.053 0.700 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.844 -2.253 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.530 -1.091 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.822 -2.617 -0.622 1.00 0.00 H new ATOM 446 N PHE A 28 1.144 -0.411 -1.846 1.00 0.00 N ATOM 447 CA PHE A 28 2.436 0.254 -1.969 1.00 0.00 C ATOM 448 C PHE A 28 2.443 1.167 -3.189 1.00 0.00 C ATOM 449 O PHE A 28 3.002 2.263 -3.156 1.00 0.00 O ATOM 450 CB PHE A 28 3.550 -0.787 -2.098 1.00 0.00 C ATOM 451 CG PHE A 28 4.840 -0.102 -2.482 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.164 0.071 -3.833 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.711 0.359 -1.488 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.360 0.706 -4.189 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.907 0.993 -1.844 1.00 0.00 C ATOM 456 CZ PHE A 28 7.231 1.167 -3.195 1.00 0.00 C ATOM 0 H PHE A 28 1.157 -1.409 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 28 2.607 0.854 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.676 -1.319 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.283 -1.530 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.492 -0.285 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.460 0.225 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.611 0.840 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.580 1.348 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.153 1.657 -3.470 1.00 0.00 H new ATOM 466 N LEU A 29 1.808 0.708 -4.264 1.00 0.00 N ATOM 467 CA LEU A 29 1.738 1.493 -5.490 1.00 0.00 C ATOM 468 C LEU A 29 0.889 2.737 -5.266 1.00 0.00 C ATOM 469 O LEU A 29 1.172 3.804 -5.814 1.00 0.00 O ATOM 470 CB LEU A 29 1.128 0.651 -6.614 1.00 0.00 C ATOM 471 CG LEU A 29 1.770 1.034 -7.949 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.899 0.054 -8.272 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.715 0.975 -9.056 1.00 0.00 C ATOM 0 H LEU A 29 1.338 -0.196 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 29 2.747 1.795 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.285 -0.409 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.051 0.811 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 29 2.173 2.044 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.356 0.327 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.651 0.092 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.496 -0.956 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.171 1.248 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.313 -0.036 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.092 1.671 -8.827 1.00 0.00 H new ATOM 485 N PHE A 30 -0.152 2.593 -4.453 1.00 0.00 N ATOM 486 CA PHE A 30 -1.038 3.711 -4.157 1.00 0.00 C ATOM 487 C PHE A 30 -0.375 4.670 -3.174 1.00 0.00 C ATOM 488 O PHE A 30 -0.488 5.890 -3.310 1.00 0.00 O ATOM 489 CB PHE A 30 -2.350 3.197 -3.563 1.00 0.00 C ATOM 490 CG PHE A 30 -3.384 4.295 -3.612 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.787 4.822 -4.845 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.941 4.787 -2.426 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.745 5.842 -4.891 1.00 0.00 C ATOM 494 CE2 PHE A 30 -4.899 5.807 -2.471 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.301 6.334 -3.704 1.00 0.00 C ATOM 0 H PHE A 30 -0.401 1.719 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.245 4.242 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.699 2.328 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.195 2.874 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.359 4.442 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.631 4.379 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.055 6.249 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.327 6.187 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.040 7.120 -3.740 1.00 0.00 H new ATOM 505 N SER A 31 0.315 4.112 -2.186 1.00 0.00 N ATOM 506 CA SER A 31 0.993 4.930 -1.185 1.00 0.00 C ATOM 507 C SER A 31 2.068 5.786 -1.838 1.00 0.00 C ATOM 508 O SER A 31 2.267 6.944 -1.472 1.00 0.00 O ATOM 509 CB SER A 31 1.623 4.035 -0.117 1.00 0.00 C ATOM 510 OG SER A 31 1.458 4.641 1.158 1.00 0.00 O ATOM 0 H SER A 31 0.420 3.106 -2.056 1.00 0.00 H new ATOM 0 HA SER A 31 0.258 5.585 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.155 3.051 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.682 3.887 -0.328 1.00 0.00 H new ATOM 0 HG SER A 31 1.859 4.070 1.846 1.00 0.00 H new ATOM 516 N VAL A 32 2.755 5.203 -2.807 1.00 0.00 N ATOM 517 CA VAL A 32 3.813 5.912 -3.518 1.00 0.00 C ATOM 518 C VAL A 32 3.223 7.000 -4.408 1.00 0.00 C ATOM 519 O VAL A 32 3.810 8.071 -4.568 1.00 0.00 O ATOM 520 CB VAL A 32 4.615 4.929 -4.371 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.300 5.683 -5.513 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.676 4.250 -3.503 1.00 0.00 C ATOM 0 H VAL A 32 2.602 4.244 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 32 4.472 6.377 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 32 3.944 4.176 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.872 4.982 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.546 6.169 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.971 6.436 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.249 3.549 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.346 5.004 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.190 3.712 -2.689 1.00 0.00 H new ATOM 532 N VAL A 33 2.062 6.716 -4.991 1.00 0.00 N ATOM 533 CA VAL A 33 1.406 7.677 -5.870 1.00 0.00 C ATOM 534 C VAL A 33 0.941 8.902 -5.087 1.00 0.00 C ATOM 535 O VAL A 33 1.325 10.028 -5.400 1.00 0.00 O ATOM 536 CB VAL A 33 0.206 7.021 -6.552 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.778 8.101 -7.006 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.683 6.224 -7.768 1.00 0.00 C ATOM 0 H VAL A 33 1.560 5.836 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 33 2.126 7.998 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.289 6.351 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.634 7.632 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.119 8.670 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.284 8.772 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.173 5.756 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.178 6.894 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.384 5.453 -7.446 1.00 0.00 H new ATOM 548 N ILE A 34 0.112 8.675 -4.072 1.00 0.00 N ATOM 549 CA ILE A 34 -0.405 9.770 -3.254 1.00 0.00 C ATOM 550 C ILE A 34 0.713 10.435 -2.465 1.00 0.00 C ATOM 551 O ILE A 34 0.576 11.569 -2.006 1.00 0.00 O ATOM 552 CB ILE A 34 -1.475 9.250 -2.292 1.00 0.00 C ATOM 553 CG1 ILE A 34 -0.829 8.308 -1.274 1.00 0.00 C ATOM 554 CG2 ILE A 34 -2.544 8.491 -3.079 1.00 0.00 C ATOM 555 CD1 ILE A 34 -1.906 7.753 -0.339 1.00 0.00 C ATOM 0 H ILE A 34 -0.215 7.749 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.847 10.510 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.935 10.090 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.322 7.491 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.072 8.841 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.306 8.121 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.004 9.160 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.085 7.650 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.447 7.082 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.392 8.576 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.647 7.206 -0.922 1.00 0.00 H new ATOM 567 N GLY A 35 1.813 9.721 -2.308 1.00 0.00 N ATOM 568 CA GLY A 35 2.951 10.247 -1.568 1.00 0.00 C ATOM 569 C GLY A 35 3.592 11.407 -2.306 1.00 0.00 C ATOM 570 O GLY A 35 3.712 12.511 -1.774 1.00 0.00 O ATOM 0 H GLY A 35 1.945 8.780 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.627 10.575 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.687 9.457 -1.416 1.00 0.00 H new ATOM 574 N SER A 36 3.985 11.151 -3.543 1.00 0.00 N ATOM 575 CA SER A 36 4.596 12.180 -4.363 1.00 0.00 C ATOM 576 C SER A 36 3.554 13.228 -4.695 1.00 0.00 C ATOM 577 O SER A 36 3.873 14.385 -4.967 1.00 0.00 O ATOM 578 CB SER A 36 5.157 11.573 -5.648 1.00 0.00 C ATOM 579 OG SER A 36 6.499 11.161 -5.426 1.00 0.00 O ATOM 0 H SER A 36 3.892 10.243 -3.998 1.00 0.00 H new ATOM 0 HA SER A 36 5.418 12.640 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.550 10.722 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.118 12.303 -6.456 1.00 0.00 H new ATOM 0 HG SER A 36 6.861 10.770 -6.248 1.00 0.00 H new ATOM 585 N ILE A 37 2.297 12.803 -4.667 1.00 0.00 N ATOM 586 CA ILE A 37 1.192 13.711 -4.965 1.00 0.00 C ATOM 587 C ILE A 37 0.974 14.670 -3.799 1.00 0.00 C ATOM 588 O ILE A 37 0.701 15.854 -3.998 1.00 0.00 O ATOM 589 CB ILE A 37 -0.089 12.910 -5.254 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.669 13.351 -6.600 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.134 13.145 -4.156 1.00 0.00 C ATOM 592 CD1 ILE A 37 0.164 12.754 -7.735 1.00 0.00 C ATOM 0 H ILE A 37 2.017 11.848 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 37 1.441 14.294 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 37 0.162 11.850 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.706 13.025 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.670 14.439 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.032 12.569 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.730 12.828 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.384 14.205 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.249 13.068 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.194 13.102 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.142 11.666 -7.669 1.00 0.00 H new ATOM 604 N TYR A 38 1.095 14.147 -2.585 1.00 0.00 N ATOM 605 CA TYR A 38 0.909 14.963 -1.391 1.00 0.00 C ATOM 606 C TYR A 38 1.797 16.202 -1.448 1.00 0.00 C ATOM 607 O TYR A 38 1.372 17.299 -1.087 1.00 0.00 O ATOM 608 CB TYR A 38 1.242 14.145 -0.139 1.00 0.00 C ATOM 609 CG TYR A 38 0.051 14.126 0.789 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.442 15.325 1.318 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.561 12.911 1.121 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.547 15.309 2.178 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.665 12.896 1.981 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.159 14.095 2.509 1.00 0.00 C ATOM 615 OH TYR A 38 -3.247 14.078 3.357 1.00 0.00 O ATOM 0 H TYR A 38 1.319 13.169 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.133 15.279 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.513 13.127 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.105 14.576 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.030 16.262 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.181 11.986 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.927 16.234 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.136 11.959 2.238 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.551 13.155 3.481 1.00 0.00 H new ATOM 625 N LEU A 39 3.032 16.019 -1.904 1.00 0.00 N ATOM 626 CA LEU A 39 3.969 17.132 -2.003 1.00 0.00 C ATOM 627 C LEU A 39 3.330 18.302 -2.742 1.00 0.00 C ATOM 628 O LEU A 39 3.420 19.450 -2.305 1.00 0.00 O ATOM 629 CB LEU A 39 5.233 16.687 -2.740 1.00 0.00 C ATOM 630 CG LEU A 39 6.449 17.394 -2.139 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.727 16.841 -2.773 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.351 18.896 -2.417 1.00 0.00 C ATOM 0 H LEU A 39 3.405 15.120 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 39 4.233 17.453 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.351 15.606 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.150 16.922 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 39 6.475 17.222 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.593 17.345 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.796 15.771 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.703 17.013 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.217 19.402 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.326 19.066 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.441 19.291 -1.966 1.00 0.00 H new