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 -19:sc= 0.87 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 25:sc= -1.54! 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= -0.453 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 13.010 -38.368 -11.635 1.00 0.00 N ATOM 19 CA THR A 2 11.746 -37.952 -12.232 1.00 0.00 C ATOM 20 C THR A 2 10.870 -37.246 -11.201 1.00 0.00 C ATOM 21 O THR A 2 10.181 -36.277 -11.519 1.00 0.00 O ATOM 22 CB THR A 2 11.003 -39.174 -12.785 1.00 0.00 C ATOM 23 OG1 THR A 2 11.736 -40.351 -12.473 1.00 0.00 O ATOM 24 CG2 THR A 2 10.859 -39.050 -14.303 1.00 0.00 C ATOM 0 HA THR A 2 11.961 -37.257 -13.044 1.00 0.00 H new ATOM 0 HB THR A 2 10.012 -39.229 -12.334 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.663 -40.113 -12.261 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.330 -39.921 -14.691 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.296 -38.148 -14.543 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.847 -38.993 -14.759 1.00 0.00 H new ATOM 32 N TYR A 3 10.901 -37.738 -9.967 1.00 0.00 N ATOM 33 CA TYR A 3 10.104 -37.146 -8.899 1.00 0.00 C ATOM 34 C TYR A 3 10.483 -35.682 -8.695 1.00 0.00 C ATOM 35 O TYR A 3 9.700 -34.897 -8.160 1.00 0.00 O ATOM 36 CB TYR A 3 10.322 -37.920 -7.594 1.00 0.00 C ATOM 37 CG TYR A 3 9.041 -38.614 -7.193 1.00 0.00 C ATOM 38 CD1 TYR A 3 8.510 -39.626 -8.000 1.00 0.00 C ATOM 39 CD2 TYR A 3 8.385 -38.243 -6.013 1.00 0.00 C ATOM 40 CE1 TYR A 3 7.323 -40.268 -7.628 1.00 0.00 C ATOM 41 CE2 TYR A 3 7.197 -38.885 -5.640 1.00 0.00 C ATOM 42 CZ TYR A 3 6.666 -39.898 -6.448 1.00 0.00 C ATOM 43 OH TYR A 3 5.496 -40.530 -6.081 1.00 0.00 O ATOM 0 H TYR A 3 11.465 -38.539 -9.683 1.00 0.00 H new ATOM 0 HA TYR A 3 9.053 -37.200 -9.182 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.119 -38.653 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.640 -37.239 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.016 -39.912 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.795 -37.462 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.914 -41.049 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.691 -38.599 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 3 5.172 -40.154 -5.236 1.00 0.00 H new ATOM 53 N PHE A 4 11.687 -35.321 -9.125 1.00 0.00 N ATOM 54 CA PHE A 4 12.157 -33.949 -8.984 1.00 0.00 C ATOM 55 C PHE A 4 11.031 -32.963 -9.283 1.00 0.00 C ATOM 56 O PHE A 4 10.992 -31.864 -8.731 1.00 0.00 O ATOM 57 CB PHE A 4 13.329 -33.696 -9.939 1.00 0.00 C ATOM 58 CG PHE A 4 14.520 -33.186 -9.163 1.00 0.00 C ATOM 59 CD1 PHE A 4 14.516 -31.883 -8.650 1.00 0.00 C ATOM 60 CD2 PHE A 4 15.628 -34.017 -8.960 1.00 0.00 C ATOM 61 CE1 PHE A 4 15.622 -31.412 -7.932 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.734 -33.545 -8.242 1.00 0.00 C ATOM 63 CZ PHE A 4 16.731 -32.243 -7.729 1.00 0.00 C ATOM 0 H PHE A 4 12.351 -35.954 -9.571 1.00 0.00 H new ATOM 0 HA PHE A 4 12.489 -33.803 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.590 -34.617 -10.461 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.041 -32.970 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.661 -31.242 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.630 -35.021 -9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.620 -30.408 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.589 -34.186 -8.084 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.584 -31.879 -7.176 1.00 0.00 H new ATOM 73 N TYR A 5 10.117 -33.364 -10.159 1.00 0.00 N ATOM 74 CA TYR A 5 8.995 -32.506 -10.522 1.00 0.00 C ATOM 75 C TYR A 5 7.851 -32.679 -9.526 1.00 0.00 C ATOM 76 O TYR A 5 7.267 -31.700 -9.063 1.00 0.00 O ATOM 77 CB TYR A 5 8.508 -32.845 -11.931 1.00 0.00 C ATOM 78 CG TYR A 5 7.583 -31.755 -12.419 1.00 0.00 C ATOM 79 CD1 TYR A 5 8.104 -30.511 -12.794 1.00 0.00 C ATOM 80 CD2 TYR A 5 6.205 -31.990 -12.495 1.00 0.00 C ATOM 81 CE1 TYR A 5 7.245 -29.500 -13.245 1.00 0.00 C ATOM 82 CE2 TYR A 5 5.347 -30.980 -12.947 1.00 0.00 C ATOM 83 CZ TYR A 5 5.867 -29.735 -13.321 1.00 0.00 C ATOM 84 OH TYR A 5 5.021 -28.739 -13.766 1.00 0.00 O ATOM 0 H TYR A 5 10.130 -34.270 -10.628 1.00 0.00 H new ATOM 0 HA TYR A 5 9.330 -31.469 -10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.357 -32.946 -12.607 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.988 -33.803 -11.927 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.167 -30.331 -12.736 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.804 -32.950 -12.205 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.646 -28.540 -13.534 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.284 -31.161 -13.007 1.00 0.00 H new ATOM 0 HH TYR A 5 4.097 -29.067 -13.759 1.00 0.00 H new ATOM 94 N VAL A 6 7.540 -33.929 -9.199 1.00 0.00 N ATOM 95 CA VAL A 6 6.468 -34.214 -8.252 1.00 0.00 C ATOM 96 C VAL A 6 6.821 -33.668 -6.873 1.00 0.00 C ATOM 97 O VAL A 6 5.944 -33.457 -6.035 1.00 0.00 O ATOM 98 CB VAL A 6 6.232 -35.723 -8.165 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.124 -36.010 -7.150 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.811 -36.250 -9.539 1.00 0.00 C ATOM 0 H VAL A 6 8.010 -34.754 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 6 5.557 -33.729 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 6 7.151 -36.217 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.956 -37.085 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.420 -35.632 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.205 -35.517 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.642 -37.325 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.892 -35.755 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.599 -36.046 -10.264 1.00 0.00 H new ATOM 110 N THR A 7 8.111 -33.438 -6.646 1.00 0.00 N ATOM 111 CA THR A 7 8.566 -32.912 -5.365 1.00 0.00 C ATOM 112 C THR A 7 8.152 -31.452 -5.213 1.00 0.00 C ATOM 113 O THR A 7 8.113 -30.919 -4.104 1.00 0.00 O ATOM 114 CB THR A 7 10.091 -33.025 -5.266 1.00 0.00 C ATOM 115 OG1 THR A 7 10.675 -32.606 -6.492 1.00 0.00 O ATOM 116 CG2 THR A 7 10.481 -34.477 -4.982 1.00 0.00 C ATOM 0 H THR A 7 8.853 -33.606 -7.326 1.00 0.00 H new ATOM 0 HA THR A 7 8.106 -33.496 -4.567 1.00 0.00 H new ATOM 0 HB THR A 7 10.451 -32.391 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.066 -31.990 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.566 -34.555 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.033 -34.797 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.123 -35.115 -5.790 1.00 0.00 H new ATOM 124 N ASP A 8 7.841 -30.812 -6.336 1.00 0.00 N ATOM 125 CA ASP A 8 7.430 -29.413 -6.320 1.00 0.00 C ATOM 126 C ASP A 8 6.053 -29.266 -5.691 1.00 0.00 C ATOM 127 O ASP A 8 5.682 -28.191 -5.219 1.00 0.00 O ATOM 128 CB ASP A 8 7.408 -28.855 -7.743 1.00 0.00 C ATOM 129 CG ASP A 8 7.754 -27.370 -7.726 1.00 0.00 C ATOM 130 OD1 ASP A 8 7.428 -26.717 -6.749 1.00 0.00 O ATOM 131 OD2 ASP A 8 8.340 -26.908 -8.691 1.00 0.00 O ATOM 0 H ASP A 8 7.865 -31.237 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 8 8.150 -28.852 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.121 -29.396 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.423 -29.002 -8.185 1.00 0.00 H new ATOM 136 N TYR A 9 5.304 -30.354 -5.693 1.00 0.00 N ATOM 137 CA TYR A 9 3.961 -30.351 -5.124 1.00 0.00 C ATOM 138 C TYR A 9 4.026 -30.325 -3.600 1.00 0.00 C ATOM 139 O TYR A 9 3.223 -29.658 -2.947 1.00 0.00 O ATOM 140 CB TYR A 9 3.195 -31.593 -5.586 1.00 0.00 C ATOM 141 CG TYR A 9 1.814 -31.192 -6.052 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.656 -30.502 -7.259 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.693 -31.511 -5.276 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.378 -30.129 -7.690 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.585 -31.139 -5.707 1.00 0.00 C ATOM 146 CZ TYR A 9 -0.743 -30.447 -6.914 1.00 0.00 C ATOM 147 OH TYR A 9 -2.003 -30.080 -7.338 1.00 0.00 O ATOM 0 H TYR A 9 5.598 -31.251 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 9 3.441 -29.457 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.734 -32.085 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.120 -32.311 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.521 -30.257 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.815 -32.044 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.256 -29.596 -8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.450 -31.386 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.668 -30.379 -6.683 1.00 0.00 H new ATOM 157 N LEU A 10 4.987 -31.053 -3.039 1.00 0.00 N ATOM 158 CA LEU A 10 5.147 -31.103 -1.590 1.00 0.00 C ATOM 159 C LEU A 10 5.909 -29.877 -1.096 1.00 0.00 C ATOM 160 O LEU A 10 6.555 -29.916 -0.048 1.00 0.00 O ATOM 161 CB LEU A 10 5.905 -32.374 -1.193 1.00 0.00 C ATOM 162 CG LEU A 10 4.974 -33.305 -0.413 1.00 0.00 C ATOM 163 CD1 LEU A 10 4.515 -32.611 0.870 1.00 0.00 C ATOM 164 CD2 LEU A 10 3.753 -33.648 -1.274 1.00 0.00 C ATOM 0 H LEU A 10 5.662 -31.612 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 10 4.158 -31.112 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.279 -32.880 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.772 -32.117 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 10 5.507 -34.221 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.852 -33.274 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.383 -32.369 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.982 -31.694 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.090 -34.311 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.219 -32.733 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.080 -34.145 -2.188 1.00 0.00 H new ATOM 272 N LYS A 18 3.223 -14.659 -4.813 1.00 0.00 N ATOM 273 CA LYS A 18 2.869 -13.589 -5.734 1.00 0.00 C ATOM 274 C LYS A 18 1.460 -13.124 -5.436 1.00 0.00 C ATOM 275 O LYS A 18 1.120 -11.953 -5.605 1.00 0.00 O ATOM 276 CB LYS A 18 2.960 -14.084 -7.179 1.00 0.00 C ATOM 277 CG LYS A 18 2.527 -12.968 -8.134 1.00 0.00 C ATOM 278 CD LYS A 18 1.423 -13.484 -9.060 1.00 0.00 C ATOM 279 CE LYS A 18 1.097 -12.417 -10.108 1.00 0.00 C ATOM 280 NZ LYS A 18 1.627 -12.843 -11.433 1.00 0.00 N ATOM 0 HA LYS A 18 3.563 -12.759 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.981 -14.393 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.325 -14.959 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.168 -12.109 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.379 -12.628 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.744 -14.404 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.531 -13.725 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.019 -12.267 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.536 -11.462 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.405 -12.118 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.658 -12.964 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.188 -13.745 -11.709 1.00 0.00 H new ATOM 294 N ILE A 19 0.654 -14.058 -4.965 1.00 0.00 N ATOM 295 CA ILE A 19 -0.719 -13.759 -4.605 1.00 0.00 C ATOM 296 C ILE A 19 -0.737 -13.166 -3.208 1.00 0.00 C ATOM 297 O ILE A 19 -1.710 -12.536 -2.793 1.00 0.00 O ATOM 298 CB ILE A 19 -1.565 -15.032 -4.640 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.682 -15.525 -6.085 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.960 -14.733 -4.089 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.377 -16.887 -6.104 1.00 0.00 C ATOM 0 H ILE A 19 0.927 -15.030 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.137 -13.048 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.091 -15.801 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.247 -14.808 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.692 -15.603 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.563 -15.641 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.877 -14.380 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.435 -13.965 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.461 -17.238 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.794 -17.601 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.373 -16.793 -5.670 1.00 0.00 H new ATOM 313 N ILE A 20 0.363 -13.374 -2.489 1.00 0.00 N ATOM 314 CA ILE A 20 0.487 -12.856 -1.131 1.00 0.00 C ATOM 315 C ILE A 20 0.936 -11.397 -1.156 1.00 0.00 C ATOM 316 O ILE A 20 0.273 -10.523 -0.599 1.00 0.00 O ATOM 317 CB ILE A 20 1.497 -13.691 -0.339 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.783 -14.888 0.291 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.123 -12.836 0.766 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.154 -14.466 1.620 1.00 0.00 C ATOM 0 H ILE A 20 1.175 -13.894 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.488 -12.918 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 20 2.280 -14.041 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.014 -15.263 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.489 -15.702 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.841 -13.435 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.633 -11.982 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.342 -12.482 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.355 -15.319 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.933 -14.112 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.565 -13.666 1.444 1.00 0.00 H new ATOM 332 N ILE A 21 2.069 -11.145 -1.803 1.00 0.00 N ATOM 333 CA ILE A 21 2.603 -9.791 -1.891 1.00 0.00 C ATOM 334 C ILE A 21 1.855 -8.978 -2.943 1.00 0.00 C ATOM 335 O ILE A 21 1.580 -7.797 -2.745 1.00 0.00 O ATOM 336 CB ILE A 21 4.091 -9.839 -2.244 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.797 -10.844 -1.332 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.706 -8.452 -2.048 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.276 -10.931 -1.717 1.00 0.00 C ATOM 0 H ILE A 21 2.632 -11.855 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 21 2.472 -9.310 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 21 4.210 -10.145 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.699 -10.538 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.329 -11.824 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.766 -8.485 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.202 -7.735 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.589 -8.146 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.780 -11.647 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.364 -11.257 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.739 -9.951 -1.605 1.00 0.00 H new ATOM 351 N GLY A 22 1.531 -9.617 -4.064 1.00 0.00 N ATOM 352 CA GLY A 22 0.819 -8.936 -5.140 1.00 0.00 C ATOM 353 C GLY A 22 -0.162 -7.906 -4.585 1.00 0.00 C ATOM 354 O GLY A 22 -0.086 -6.719 -4.911 1.00 0.00 O ATOM 0 H GLY A 22 1.748 -10.596 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.534 -8.443 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.281 -9.667 -5.744 1.00 0.00 H new ATOM 358 N PRO A 23 -1.071 -8.338 -3.756 1.00 0.00 N ATOM 359 CA PRO A 23 -2.092 -7.442 -3.139 1.00 0.00 C ATOM 360 C PRO A 23 -1.453 -6.242 -2.447 1.00 0.00 C ATOM 361 O PRO A 23 -2.027 -5.153 -2.420 1.00 0.00 O ATOM 362 CB PRO A 23 -2.807 -8.339 -2.124 1.00 0.00 C ATOM 363 CG PRO A 23 -2.573 -9.737 -2.593 1.00 0.00 C ATOM 364 CD PRO A 23 -1.229 -9.733 -3.319 1.00 0.00 C ATOM 0 HA PRO A 23 -2.766 -7.019 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.409 -8.190 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.872 -8.112 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.557 -10.431 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.373 -10.061 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.417 -10.040 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.229 -10.420 -4.165 1.00 0.00 H new ATOM 372 N LEU A 24 -0.262 -6.445 -1.895 1.00 0.00 N ATOM 373 CA LEU A 24 0.442 -5.366 -1.214 1.00 0.00 C ATOM 374 C LEU A 24 1.146 -4.478 -2.226 1.00 0.00 C ATOM 375 O LEU A 24 1.173 -3.256 -2.082 1.00 0.00 O ATOM 376 CB LEU A 24 1.457 -5.937 -0.222 1.00 0.00 C ATOM 377 CG LEU A 24 1.968 -4.819 0.689 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.920 -4.512 1.762 1.00 0.00 C ATOM 379 CD2 LEU A 24 3.268 -5.268 1.359 1.00 0.00 C ATOM 0 H LEU A 24 0.232 -7.337 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.286 -4.768 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.995 -6.724 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.290 -6.392 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 24 2.152 -3.922 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.285 -3.715 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.007 -4.195 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.735 -5.407 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.635 -4.474 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.082 -6.164 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.014 -5.486 0.595 1.00 0.00 H new ATOM 391 N ILE A 25 1.694 -5.094 -3.263 1.00 0.00 N ATOM 392 CA ILE A 25 2.367 -4.341 -4.304 1.00 0.00 C ATOM 393 C ILE A 25 1.452 -3.220 -4.770 1.00 0.00 C ATOM 394 O ILE A 25 1.907 -2.138 -5.140 1.00 0.00 O ATOM 395 CB ILE A 25 2.714 -5.253 -5.482 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.557 -6.430 -4.983 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.508 -4.464 -6.524 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.146 -7.179 -6.180 1.00 0.00 C ATOM 0 H ILE A 25 1.685 -6.104 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 25 3.293 -3.924 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 25 1.795 -5.627 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.357 -6.070 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.943 -7.104 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.755 -5.115 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.909 -3.625 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.427 -4.089 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.746 -8.017 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.338 -7.552 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.774 -6.502 -6.759 1.00 0.00 H new ATOM 410 N PHE A 26 0.151 -3.494 -4.739 1.00 0.00 N ATOM 411 CA PHE A 26 -0.840 -2.508 -5.153 1.00 0.00 C ATOM 412 C PHE A 26 -0.865 -1.340 -4.173 1.00 0.00 C ATOM 413 O PHE A 26 -0.914 -0.178 -4.577 1.00 0.00 O ATOM 414 CB PHE A 26 -2.224 -3.155 -5.219 1.00 0.00 C ATOM 415 CG PHE A 26 -2.493 -3.623 -6.629 1.00 0.00 C ATOM 416 CD1 PHE A 26 -1.444 -4.114 -7.416 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.792 -3.568 -7.149 1.00 0.00 C ATOM 418 CE1 PHE A 26 -1.694 -4.549 -8.723 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.041 -4.003 -8.457 1.00 0.00 C ATOM 420 CZ PHE A 26 -2.993 -4.492 -9.243 1.00 0.00 C ATOM 0 H PHE A 26 -0.239 -4.385 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.570 -2.135 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.277 -3.997 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.987 -2.440 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.442 -4.157 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.601 -3.190 -6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.885 -4.928 -9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.043 -3.961 -8.859 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.186 -4.826 -10.252 1.00 0.00 H new ATOM 430 N VAL A 27 -0.825 -1.656 -2.882 1.00 0.00 N ATOM 431 CA VAL A 27 -0.838 -0.623 -1.853 1.00 0.00 C ATOM 432 C VAL A 27 0.402 0.256 -1.972 1.00 0.00 C ATOM 433 O VAL A 27 0.358 1.454 -1.689 1.00 0.00 O ATOM 434 CB VAL A 27 -0.877 -1.269 -0.466 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.071 -0.186 0.600 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.039 -2.263 -0.402 1.00 0.00 C ATOM 0 H VAL A 27 -0.784 -2.611 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.726 -0.006 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 27 0.061 -1.792 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.099 -0.648 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.244 0.522 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.009 0.339 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.069 -2.725 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.977 -1.739 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.900 -3.035 -1.159 1.00 0.00 H new ATOM 446 N PHE A 28 1.507 -0.349 -2.395 1.00 0.00 N ATOM 447 CA PHE A 28 2.758 0.383 -2.555 1.00 0.00 C ATOM 448 C PHE A 28 2.650 1.377 -3.706 1.00 0.00 C ATOM 449 O PHE A 28 3.198 2.476 -3.644 1.00 0.00 O ATOM 450 CB PHE A 28 3.902 -0.598 -2.829 1.00 0.00 C ATOM 451 CG PHE A 28 5.067 -0.289 -1.918 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.627 0.994 -1.910 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.586 -1.286 -1.083 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.706 1.281 -1.067 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.666 -0.998 -0.239 1.00 0.00 C ATOM 456 CZ PHE A 28 7.225 0.284 -0.230 1.00 0.00 C ATOM 0 H PHE A 28 1.562 -1.340 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 28 2.961 0.931 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.563 -1.621 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.214 -0.526 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.226 1.762 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.154 -2.276 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.139 2.270 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.067 -1.766 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.057 0.506 0.422 1.00 0.00 H new ATOM 466 N LEU A 29 1.936 0.981 -4.754 1.00 0.00 N ATOM 467 CA LEU A 29 1.757 1.844 -5.914 1.00 0.00 C ATOM 468 C LEU A 29 0.794 2.980 -5.583 1.00 0.00 C ATOM 469 O LEU A 29 0.934 4.095 -6.087 1.00 0.00 O ATOM 470 CB LEU A 29 1.206 1.032 -7.089 1.00 0.00 C ATOM 471 CG LEU A 29 2.305 0.828 -8.133 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.874 -0.254 -9.128 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.544 2.141 -8.882 1.00 0.00 C ATOM 0 H LEU A 29 1.475 0.074 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 29 2.724 2.265 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.841 0.067 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.358 1.550 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 29 3.224 0.518 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.658 -0.398 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.702 -1.190 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.955 0.055 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.327 1.998 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.624 2.450 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.852 2.912 -8.176 1.00 0.00 H new ATOM 485 N PHE A 30 -0.182 2.686 -4.733 1.00 0.00 N ATOM 486 CA PHE A 30 -1.168 3.687 -4.339 1.00 0.00 C ATOM 487 C PHE A 30 -0.564 4.678 -3.349 1.00 0.00 C ATOM 488 O PHE A 30 -0.814 5.879 -3.430 1.00 0.00 O ATOM 489 CB PHE A 30 -2.377 3.000 -3.703 1.00 0.00 C ATOM 490 CG PHE A 30 -3.209 4.024 -2.968 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.192 4.749 -3.651 1.00 0.00 C ATOM 492 CD2 PHE A 30 -2.995 4.247 -1.603 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.963 5.697 -2.969 1.00 0.00 C ATOM 494 CE2 PHE A 30 -3.766 5.195 -0.920 1.00 0.00 C ATOM 495 CZ PHE A 30 -4.750 5.921 -1.603 1.00 0.00 C ATOM 0 H PHE A 30 -0.313 1.769 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.483 4.231 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.977 2.512 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.046 2.222 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.356 4.577 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.235 3.688 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.722 6.256 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.602 5.367 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.344 6.653 -1.077 1.00 0.00 H new ATOM 505 N SER A 31 0.232 4.166 -2.415 1.00 0.00 N ATOM 506 CA SER A 31 0.863 5.019 -1.414 1.00 0.00 C ATOM 507 C SER A 31 1.846 5.978 -2.070 1.00 0.00 C ATOM 508 O SER A 31 1.970 7.134 -1.663 1.00 0.00 O ATOM 509 CB SER A 31 1.596 4.161 -0.383 1.00 0.00 C ATOM 510 OG SER A 31 1.970 4.973 0.723 1.00 0.00 O ATOM 0 H SER A 31 0.454 3.174 -2.330 1.00 0.00 H new ATOM 0 HA SER A 31 0.085 5.598 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.955 3.345 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.480 3.708 -0.832 1.00 0.00 H new ATOM 0 HG SER A 31 2.439 4.426 1.387 1.00 0.00 H new ATOM 516 N VAL A 32 2.540 5.488 -3.084 1.00 0.00 N ATOM 517 CA VAL A 32 3.515 6.303 -3.797 1.00 0.00 C ATOM 518 C VAL A 32 2.821 7.414 -4.580 1.00 0.00 C ATOM 519 O VAL A 32 3.311 8.542 -4.639 1.00 0.00 O ATOM 520 CB VAL A 32 4.324 5.428 -4.754 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.162 6.319 -5.674 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.251 4.515 -3.947 1.00 0.00 C ATOM 0 H VAL A 32 2.448 4.534 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 32 4.184 6.757 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 32 3.646 4.821 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.739 5.696 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.503 6.972 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.841 6.925 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.829 3.890 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.929 5.123 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.656 3.881 -3.290 1.00 0.00 H new ATOM 532 N VAL A 33 1.682 7.088 -5.180 1.00 0.00 N ATOM 533 CA VAL A 33 0.932 8.068 -5.958 1.00 0.00 C ATOM 534 C VAL A 33 0.515 9.249 -5.085 1.00 0.00 C ATOM 535 O VAL A 33 0.830 10.400 -5.388 1.00 0.00 O ATOM 536 CB VAL A 33 -0.311 7.412 -6.562 1.00 0.00 C ATOM 537 CG1 VAL A 33 -1.054 8.427 -7.433 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.111 6.218 -7.419 1.00 0.00 C ATOM 0 H VAL A 33 1.260 6.160 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 33 1.575 8.436 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.968 7.073 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.939 7.959 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.354 9.279 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.398 8.768 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.773 5.749 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.768 6.559 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.640 5.494 -6.799 1.00 0.00 H new ATOM 548 N ILE A 34 -0.197 8.954 -4.003 1.00 0.00 N ATOM 549 CA ILE A 34 -0.659 9.995 -3.090 1.00 0.00 C ATOM 550 C ILE A 34 0.515 10.648 -2.371 1.00 0.00 C ATOM 551 O ILE A 34 0.391 11.744 -1.825 1.00 0.00 O ATOM 552 CB ILE A 34 -1.621 9.401 -2.060 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.034 10.490 -1.066 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.929 8.262 -1.310 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.453 10.214 -0.566 1.00 0.00 C ATOM 0 H ILE A 34 -0.466 8.007 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.176 10.754 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.505 9.015 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.339 10.513 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.989 11.469 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.616 7.840 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.633 7.488 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.045 8.646 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.747 10.989 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.142 10.213 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.482 9.243 -0.073 1.00 0.00 H new ATOM 567 N GLY A 35 1.643 9.957 -2.361 1.00 0.00 N ATOM 568 CA GLY A 35 2.833 10.463 -1.688 1.00 0.00 C ATOM 569 C GLY A 35 3.486 11.598 -2.458 1.00 0.00 C ATOM 570 O GLY A 35 3.660 12.698 -1.934 1.00 0.00 O ATOM 0 H GLY A 35 1.762 9.048 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.565 10.810 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.550 9.652 -1.561 1.00 0.00 H new ATOM 574 N SER A 36 3.841 11.329 -3.706 1.00 0.00 N ATOM 575 CA SER A 36 4.467 12.343 -4.534 1.00 0.00 C ATOM 576 C SER A 36 3.456 13.431 -4.834 1.00 0.00 C ATOM 577 O SER A 36 3.809 14.582 -5.089 1.00 0.00 O ATOM 578 CB SER A 36 4.976 11.728 -5.838 1.00 0.00 C ATOM 579 OG SER A 36 4.621 10.352 -5.877 1.00 0.00 O ATOM 0 H SER A 36 3.707 10.426 -4.162 1.00 0.00 H new ATOM 0 HA SER A 36 5.317 12.768 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.546 12.251 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.058 11.839 -5.908 1.00 0.00 H new ATOM 0 HG SER A 36 4.944 9.954 -6.712 1.00 0.00 H new ATOM 585 N ILE A 37 2.190 13.045 -4.793 1.00 0.00 N ATOM 586 CA ILE A 37 1.109 13.988 -5.055 1.00 0.00 C ATOM 587 C ILE A 37 0.911 14.916 -3.861 1.00 0.00 C ATOM 588 O ILE A 37 0.648 16.108 -4.024 1.00 0.00 O ATOM 589 CB ILE A 37 -0.187 13.236 -5.348 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.222 12.837 -6.825 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.385 14.135 -5.036 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.382 11.870 -7.066 1.00 0.00 C ATOM 0 H ILE A 37 1.885 12.094 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 37 1.377 14.587 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.234 12.342 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.338 13.723 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.721 12.369 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.309 13.596 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.362 14.420 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.339 15.031 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.406 11.586 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.246 10.979 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.321 12.355 -6.799 1.00 0.00 H new ATOM 604 N TYR A 38 1.036 14.358 -2.662 1.00 0.00 N ATOM 605 CA TYR A 38 0.864 15.140 -1.442 1.00 0.00 C ATOM 606 C TYR A 38 1.698 16.417 -1.497 1.00 0.00 C ATOM 607 O TYR A 38 1.289 17.460 -0.986 1.00 0.00 O ATOM 608 CB TYR A 38 1.282 14.312 -0.226 1.00 0.00 C ATOM 609 CG TYR A 38 0.327 14.573 0.915 1.00 0.00 C ATOM 610 CD1 TYR A 38 0.470 15.726 1.697 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.700 13.662 1.192 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.415 15.968 2.756 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.584 13.903 2.250 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.442 15.056 3.033 1.00 0.00 C ATOM 615 OH TYR A 38 -2.313 15.294 4.076 1.00 0.00 O ATOM 0 H TYR A 38 1.254 13.374 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.188 15.410 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.283 13.252 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.299 14.570 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.262 16.428 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.810 12.773 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.306 16.857 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.376 13.200 2.463 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.965 14.565 4.130 1.00 0.00 H new ATOM 625 N LEU A 39 2.871 16.327 -2.115 1.00 0.00 N ATOM 626 CA LEU A 39 3.757 17.482 -2.225 1.00 0.00 C ATOM 627 C LEU A 39 2.971 18.732 -2.609 1.00 0.00 C ATOM 628 O LEU A 39 3.182 19.806 -2.046 1.00 0.00 O ATOM 629 CB LEU A 39 4.836 17.213 -3.277 1.00 0.00 C ATOM 630 CG LEU A 39 6.215 17.512 -2.686 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.299 16.981 -3.625 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.380 19.024 -2.523 1.00 0.00 C ATOM 0 H LEU A 39 3.229 15.474 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 39 4.226 17.648 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.787 16.175 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.664 17.834 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 39 6.307 17.027 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.282 17.194 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.181 15.904 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.208 17.466 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.362 19.240 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.288 19.507 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.607 19.404 -1.855 1.00 0.00 H new