USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 260 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 29:sc= 0.0351 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.428 0.927 -3.705 1.00 0.00 N ATOM 2 CA MET A 1 -19.385 1.826 -2.565 1.00 0.00 C ATOM 3 C MET A 1 -18.012 2.491 -2.442 1.00 0.00 C ATOM 4 O MET A 1 -17.045 1.855 -2.025 1.00 0.00 O ATOM 5 CB MET A 1 -19.690 1.044 -1.286 1.00 0.00 C ATOM 6 CG MET A 1 -21.178 1.118 -0.940 1.00 0.00 C ATOM 7 SD MET A 1 -21.750 -0.471 -0.360 1.00 0.00 S ATOM 8 CE MET A 1 -22.705 -0.991 -1.777 1.00 0.00 C ATOM 0 H1 MET A 1 -20.369 0.489 -3.766 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.238 1.462 -4.576 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.708 0.186 -3.590 1.00 0.00 H new ATOM 0 HA MET A 1 -20.133 2.605 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.394 0.003 -1.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.101 1.445 -0.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.344 1.875 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.749 1.421 -1.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.137 -1.973 -1.584 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.504 -0.272 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.057 -1.046 -2.652 1.00 0.00 H new ATOM 18 N VAL A 2 -17.971 3.763 -2.812 1.00 0.00 N ATOM 19 CA VAL A 2 -16.733 4.521 -2.749 1.00 0.00 C ATOM 20 C VAL A 2 -16.512 5.011 -1.316 1.00 0.00 C ATOM 21 O VAL A 2 -15.390 5.335 -0.933 1.00 0.00 O ATOM 22 CB VAL A 2 -16.762 5.658 -3.771 1.00 0.00 C ATOM 23 CG1 VAL A 2 -15.820 6.791 -3.360 1.00 0.00 C ATOM 24 CG2 VAL A 2 -16.424 5.145 -5.173 1.00 0.00 C ATOM 0 H VAL A 2 -18.775 4.287 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.885 3.888 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.775 6.058 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.861 7.586 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.126 7.185 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.801 6.410 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.452 5.974 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.427 4.705 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.152 4.390 -5.470 1.00 0.00 H new ATOM 34 N LYS A 3 -17.602 5.049 -0.564 1.00 0.00 N ATOM 35 CA LYS A 3 -17.543 5.494 0.819 1.00 0.00 C ATOM 36 C LYS A 3 -16.405 4.764 1.536 1.00 0.00 C ATOM 37 O LYS A 3 -15.879 5.256 2.533 1.00 0.00 O ATOM 38 CB LYS A 3 -18.904 5.325 1.495 1.00 0.00 C ATOM 39 CG LYS A 3 -19.881 6.413 1.042 1.00 0.00 C ATOM 40 CD LYS A 3 -19.726 7.677 1.890 1.00 0.00 C ATOM 41 CE LYS A 3 -20.964 8.567 1.778 1.00 0.00 C ATOM 42 NZ LYS A 3 -20.896 9.676 2.756 1.00 0.00 N ATOM 0 H LYS A 3 -18.532 4.779 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.320 6.560 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.312 4.343 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.784 5.367 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.705 6.651 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.903 6.043 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.564 7.402 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.845 8.231 1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.040 8.969 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.862 7.975 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.745 10.271 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.846 9.287 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.049 10.251 2.571 1.00 0.00 H new ATOM 55 N SER A 4 -16.060 3.603 1.001 1.00 0.00 N ATOM 56 CA SER A 4 -14.994 2.801 1.577 1.00 0.00 C ATOM 57 C SER A 4 -13.785 2.783 0.639 1.00 0.00 C ATOM 58 O SER A 4 -12.663 2.524 1.070 1.00 0.00 O ATOM 59 CB SER A 4 -15.469 1.374 1.857 1.00 0.00 C ATOM 60 OG SER A 4 -15.584 1.114 3.253 1.00 0.00 O ATOM 0 H SER A 4 -16.500 3.198 0.175 1.00 0.00 H new ATOM 0 HA SER A 4 -14.702 3.252 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.434 1.213 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 4 -14.770 0.665 1.413 1.00 0.00 H new ATOM 0 HG SER A 4 -15.891 0.194 3.390 1.00 0.00 H new ATOM 66 N LYS A 5 -14.056 3.063 -0.628 1.00 0.00 N ATOM 67 CA LYS A 5 -13.005 3.083 -1.631 1.00 0.00 C ATOM 68 C LYS A 5 -12.243 4.407 -1.539 1.00 0.00 C ATOM 69 O LYS A 5 -11.115 4.512 -2.018 1.00 0.00 O ATOM 70 CB LYS A 5 -13.584 2.801 -3.019 1.00 0.00 C ATOM 71 CG LYS A 5 -12.525 2.194 -3.942 1.00 0.00 C ATOM 72 CD LYS A 5 -12.595 0.666 -3.924 1.00 0.00 C ATOM 73 CE LYS A 5 -11.400 0.054 -4.657 1.00 0.00 C ATOM 74 NZ LYS A 5 -11.704 -1.332 -5.079 1.00 0.00 N ATOM 0 H LYS A 5 -14.988 3.278 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.284 2.287 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.430 2.119 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.963 3.726 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.673 2.557 -4.959 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.533 2.520 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.615 0.311 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.522 0.335 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.152 0.659 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.526 0.059 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.882 -1.732 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.919 -1.911 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.525 -1.328 -5.717 1.00 0.00 H new ATOM 87 N ILE A 6 -12.890 5.383 -0.921 1.00 0.00 N ATOM 88 CA ILE A 6 -12.288 6.696 -0.760 1.00 0.00 C ATOM 89 C ILE A 6 -10.836 6.534 -0.306 1.00 0.00 C ATOM 90 O ILE A 6 -9.930 6.437 -1.132 1.00 0.00 O ATOM 91 CB ILE A 6 -13.132 7.563 0.176 1.00 0.00 C ATOM 92 CG1 ILE A 6 -13.719 6.727 1.317 1.00 0.00 C ATOM 93 CG2 ILE A 6 -14.217 8.313 -0.600 1.00 0.00 C ATOM 94 CD1 ILE A 6 -13.521 7.424 2.664 1.00 0.00 C ATOM 0 H ILE A 6 -13.826 5.291 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.268 7.225 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.481 8.313 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.782 6.561 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.243 5.747 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -14.802 8.922 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.751 8.956 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.871 7.596 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.947 6.810 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.456 7.566 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -14.019 8.393 2.649 1.00 0.00 H new ATOM 106 N GLY A 7 -10.660 6.508 1.007 1.00 0.00 N ATOM 107 CA GLY A 7 -9.333 6.359 1.581 1.00 0.00 C ATOM 108 C GLY A 7 -8.882 4.898 1.545 1.00 0.00 C ATOM 109 O GLY A 7 -8.478 4.344 2.567 1.00 0.00 O ATOM 0 H GLY A 7 -11.414 6.588 1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.623 6.976 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.336 6.717 2.610 1.00 0.00 H new ATOM 113 N SER A 8 -8.965 4.315 0.358 1.00 0.00 N ATOM 114 CA SER A 8 -8.569 2.929 0.176 1.00 0.00 C ATOM 115 C SER A 8 -8.008 2.726 -1.234 1.00 0.00 C ATOM 116 O SER A 8 -6.967 2.095 -1.406 1.00 0.00 O ATOM 117 CB SER A 8 -9.746 1.984 0.420 1.00 0.00 C ATOM 118 OG SER A 8 -9.831 1.576 1.782 1.00 0.00 O ATOM 0 H SER A 8 -9.301 4.777 -0.487 1.00 0.00 H new ATOM 0 HA SER A 8 -7.794 2.696 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.673 2.479 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.642 1.105 -0.216 1.00 0.00 H new ATOM 0 HG SER A 8 -9.458 2.276 2.357 1.00 0.00 H new ATOM 124 N TRP A 9 -8.724 3.273 -2.205 1.00 0.00 N ATOM 125 CA TRP A 9 -8.311 3.160 -3.593 1.00 0.00 C ATOM 126 C TRP A 9 -7.068 4.031 -3.790 1.00 0.00 C ATOM 127 O TRP A 9 -6.044 3.556 -4.279 1.00 0.00 O ATOM 128 CB TRP A 9 -9.456 3.530 -4.538 1.00 0.00 C ATOM 129 CG TRP A 9 -9.025 4.382 -5.734 1.00 0.00 C ATOM 130 CD1 TRP A 9 -9.019 5.718 -5.837 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.533 3.897 -7.002 1.00 0.00 C ATOM 132 NE1 TRP A 9 -8.562 6.128 -7.073 1.00 0.00 N ATOM 133 CE2 TRP A 9 -8.257 4.985 -7.803 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.329 2.582 -7.456 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -7.761 4.871 -9.108 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.832 2.484 -8.761 1.00 0.00 C ATOM 137 CH2 TRP A 9 -7.549 3.570 -9.581 1.00 0.00 C ATOM 0 H TRP A 9 -9.587 3.796 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.055 2.129 -3.836 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.920 2.615 -4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.217 4.070 -3.976 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.332 6.390 -5.051 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.466 7.092 -7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.539 1.716 -6.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.553 5.739 -9.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.656 1.495 -9.158 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -7.167 3.411 -10.579 1.00 0.00 H new ATOM 148 N ILE A 10 -7.199 5.290 -3.398 1.00 0.00 N ATOM 149 CA ILE A 10 -6.099 6.231 -3.524 1.00 0.00 C ATOM 150 C ILE A 10 -4.883 5.692 -2.768 1.00 0.00 C ATOM 151 O ILE A 10 -3.746 6.035 -3.089 1.00 0.00 O ATOM 152 CB ILE A 10 -6.534 7.627 -3.073 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.176 8.400 -4.227 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.365 8.391 -2.450 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.127 8.809 -5.262 1.00 0.00 C ATOM 0 H ILE A 10 -8.050 5.680 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.805 6.335 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.293 7.515 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.940 7.784 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.677 9.288 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.701 9.380 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.993 7.844 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.566 8.494 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.609 9.357 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.378 9.444 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.645 7.918 -5.664 1.00 0.00 H new ATOM 167 N LEU A 11 -5.163 4.856 -1.779 1.00 0.00 N ATOM 168 CA LEU A 11 -4.106 4.267 -0.975 1.00 0.00 C ATOM 169 C LEU A 11 -3.438 3.141 -1.766 1.00 0.00 C ATOM 170 O LEU A 11 -2.212 3.088 -1.862 1.00 0.00 O ATOM 171 CB LEU A 11 -4.651 3.823 0.384 1.00 0.00 C ATOM 172 CG LEU A 11 -4.000 4.467 1.610 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.524 4.076 1.717 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.191 5.985 1.598 1.00 0.00 C ATOM 0 H LEU A 11 -6.107 4.573 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.335 5.007 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.720 4.035 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.538 2.742 0.463 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.499 4.086 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.086 4.547 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.440 2.993 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.994 4.409 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.719 6.418 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.734 6.402 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.256 6.218 1.605 1.00 0.00 H new ATOM 186 N VAL A 12 -4.272 2.269 -2.313 1.00 0.00 N ATOM 187 CA VAL A 12 -3.776 1.148 -3.094 1.00 0.00 C ATOM 188 C VAL A 12 -3.015 1.676 -4.312 1.00 0.00 C ATOM 189 O VAL A 12 -2.285 0.930 -4.963 1.00 0.00 O ATOM 190 CB VAL A 12 -4.933 0.219 -3.468 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.502 -0.793 -4.531 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.490 -0.489 -2.231 1.00 0.00 C ATOM 0 H VAL A 12 -5.288 2.316 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.076 0.554 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.730 0.831 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.343 -1.441 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.176 -0.264 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.680 -1.397 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.311 -1.143 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.703 -1.082 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.854 0.253 -1.520 1.00 0.00 H new ATOM 202 N LEU A 13 -3.214 2.957 -4.583 1.00 0.00 N ATOM 203 CA LEU A 13 -2.556 3.593 -5.711 1.00 0.00 C ATOM 204 C LEU A 13 -1.161 4.058 -5.287 1.00 0.00 C ATOM 205 O LEU A 13 -0.180 3.810 -5.987 1.00 0.00 O ATOM 206 CB LEU A 13 -3.430 4.713 -6.280 1.00 0.00 C ATOM 207 CG LEU A 13 -4.748 4.274 -6.923 1.00 0.00 C ATOM 208 CD1 LEU A 13 -5.042 5.089 -8.183 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.747 2.769 -7.201 1.00 0.00 C ATOM 0 H LEU A 13 -3.821 3.572 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.422 2.880 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.656 5.414 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.849 5.258 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.555 4.471 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.984 4.757 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.115 6.145 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.237 4.947 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.694 2.483 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.929 2.525 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.617 2.226 -6.265 1.00 0.00 H new ATOM 221 N PHE A 14 -1.117 4.724 -4.143 1.00 0.00 N ATOM 222 CA PHE A 14 0.142 5.226 -3.618 1.00 0.00 C ATOM 223 C PHE A 14 1.147 4.089 -3.423 1.00 0.00 C ATOM 224 O PHE A 14 2.354 4.296 -3.539 1.00 0.00 O ATOM 225 CB PHE A 14 -0.162 5.859 -2.258 1.00 0.00 C ATOM 226 CG PHE A 14 -0.966 7.160 -2.343 1.00 0.00 C ATOM 227 CD1 PHE A 14 -0.696 8.062 -3.324 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.948 7.412 -1.438 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.440 9.268 -3.403 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.692 8.619 -1.516 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.423 9.522 -2.498 1.00 0.00 C ATOM 0 H PHE A 14 -1.932 4.928 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 14 0.576 5.944 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.714 5.142 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.778 6.058 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.084 7.861 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.162 6.695 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.225 9.984 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.471 8.820 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.990 10.439 -2.559 1.00 0.00 H new ATOM 241 N VAL A 15 0.612 2.912 -3.131 1.00 0.00 N ATOM 242 CA VAL A 15 1.448 1.743 -2.919 1.00 0.00 C ATOM 243 C VAL A 15 1.725 1.069 -4.265 1.00 0.00 C ATOM 244 O VAL A 15 2.698 0.330 -4.404 1.00 0.00 O ATOM 245 CB VAL A 15 0.788 0.805 -1.906 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.912 1.358 -0.485 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.677 0.549 -2.268 1.00 0.00 C ATOM 0 H VAL A 15 -0.390 2.743 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 15 2.410 2.033 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 15 1.314 -0.149 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.435 0.672 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.966 1.465 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.424 2.331 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.122 -0.121 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.221 1.494 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.733 0.091 -3.256 1.00 0.00 H new ATOM 257 N ALA A 16 0.852 1.349 -5.222 1.00 0.00 N ATOM 258 CA ALA A 16 0.990 0.780 -6.551 1.00 0.00 C ATOM 259 C ALA A 16 2.022 1.588 -7.342 1.00 0.00 C ATOM 260 O ALA A 16 2.792 1.026 -8.119 1.00 0.00 O ATOM 261 CB ALA A 16 -0.376 0.748 -7.238 1.00 0.00 C ATOM 0 H ALA A 16 0.046 1.963 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 16 1.349 -0.248 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.272 0.321 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.064 0.138 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.767 1.762 -7.317 1.00 0.00 H new ATOM 267 N MET A 17 2.003 2.893 -7.117 1.00 0.00 N ATOM 268 CA MET A 17 2.927 3.783 -7.799 1.00 0.00 C ATOM 269 C MET A 17 4.354 3.594 -7.280 1.00 0.00 C ATOM 270 O MET A 17 5.297 3.508 -8.066 1.00 0.00 O ATOM 271 CB MET A 17 2.492 5.234 -7.581 1.00 0.00 C ATOM 272 CG MET A 17 1.926 5.837 -8.868 1.00 0.00 C ATOM 273 SD MET A 17 0.548 6.906 -8.488 1.00 0.00 S ATOM 274 CE MET A 17 1.260 8.489 -8.905 1.00 0.00 C ATOM 0 H MET A 17 1.362 3.356 -6.472 1.00 0.00 H new ATOM 0 HA MET A 17 2.913 3.546 -8.863 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.740 5.277 -6.794 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.343 5.825 -7.242 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.701 6.400 -9.387 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.605 5.042 -9.541 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.528 9.276 -8.726 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.141 8.666 -8.288 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.547 8.493 -9.957 1.00 0.00 H new ATOM 284 N TRP A 18 4.468 3.536 -5.962 1.00 0.00 N ATOM 285 CA TRP A 18 5.764 3.359 -5.330 1.00 0.00 C ATOM 286 C TRP A 18 6.330 2.011 -5.781 1.00 0.00 C ATOM 287 O TRP A 18 7.541 1.803 -5.756 1.00 0.00 O ATOM 288 CB TRP A 18 5.653 3.481 -3.809 1.00 0.00 C ATOM 289 CG TRP A 18 6.612 2.569 -3.039 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.916 2.366 -3.266 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.285 1.742 -1.904 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.453 1.470 -2.363 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.429 1.079 -1.508 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.064 1.559 -1.232 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.465 0.190 -0.428 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.116 0.666 -0.155 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.259 -0.009 0.256 1.00 0.00 C ATOM 0 H TRP A 18 3.684 3.608 -5.314 1.00 0.00 H new ATOM 0 HA TRP A 18 6.453 4.146 -5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.843 4.515 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.630 3.251 -3.510 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.477 2.843 -4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.422 1.153 -2.329 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.157 2.067 -1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.374 -0.316 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.204 0.489 0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.218 -0.684 1.098 1.00 0.00 H new ATOM 308 N SER A 19 5.425 1.130 -6.184 1.00 0.00 N ATOM 309 CA SER A 19 5.819 -0.192 -6.641 1.00 0.00 C ATOM 310 C SER A 19 5.987 -0.191 -8.161 1.00 0.00 C ATOM 311 O SER A 19 6.600 -1.099 -8.721 1.00 0.00 O ATOM 312 CB SER A 19 4.795 -1.248 -6.220 1.00 0.00 C ATOM 313 OG SER A 19 5.271 -2.056 -5.147 1.00 0.00 O ATOM 0 H SER A 19 4.421 1.306 -6.203 1.00 0.00 H new ATOM 0 HA SER A 19 6.772 -0.445 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.870 -0.756 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.557 -1.883 -7.074 1.00 0.00 H new ATOM 0 HG SER A 19 4.588 -2.716 -4.907 1.00 0.00 H new ATOM 319 N ASP A 20 5.432 0.837 -8.786 1.00 0.00 N ATOM 320 CA ASP A 20 5.513 0.967 -10.231 1.00 0.00 C ATOM 321 C ASP A 20 6.315 2.221 -10.581 1.00 0.00 C ATOM 322 O ASP A 20 6.205 2.744 -11.689 1.00 0.00 O ATOM 323 CB ASP A 20 4.121 1.108 -10.850 1.00 0.00 C ATOM 324 CG ASP A 20 4.021 0.688 -12.317 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.522 1.381 -13.216 1.00 0.00 O ATOM 326 OD2 ASP A 20 3.389 -0.417 -12.526 1.00 0.00 O ATOM 0 H ASP A 20 4.924 1.588 -8.318 1.00 0.00 H new ATOM 0 HA ASP A 20 5.993 0.071 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.419 0.511 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.805 2.147 -10.763 1.00 0.00 H new ATOM 332 N VAL A 21 7.106 2.668 -9.617 1.00 0.00 N ATOM 333 CA VAL A 21 7.927 3.852 -9.808 1.00 0.00 C ATOM 334 C VAL A 21 9.130 3.792 -8.866 1.00 0.00 C ATOM 335 O VAL A 21 10.260 4.051 -9.277 1.00 0.00 O ATOM 336 CB VAL A 21 7.080 5.112 -9.620 1.00 0.00 C ATOM 337 CG1 VAL A 21 7.925 6.373 -9.810 1.00 0.00 C ATOM 338 CG2 VAL A 21 5.876 5.111 -10.563 1.00 0.00 C ATOM 0 H VAL A 21 7.196 2.231 -8.700 1.00 0.00 H new ATOM 0 HA VAL A 21 8.315 3.887 -10.826 1.00 0.00 H new ATOM 0 HB VAL A 21 6.703 5.112 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.299 7.255 -9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.733 6.383 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.345 6.381 -10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.292 6.018 -10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.223 5.075 -11.596 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.254 4.239 -10.358 1.00 0.00 H new ATOM 348 N GLY A 22 8.846 3.449 -7.618 1.00 0.00 N ATOM 349 CA GLY A 22 9.890 3.352 -6.612 1.00 0.00 C ATOM 350 C GLY A 22 11.173 2.767 -7.208 1.00 0.00 C ATOM 351 O GLY A 22 12.154 3.482 -7.403 1.00 0.00 O ATOM 0 H GLY A 22 7.908 3.235 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.094 4.340 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.549 2.725 -5.788 1.00 0.00 H new ATOM 355 N LEU A 23 11.123 1.471 -7.479 1.00 0.00 N ATOM 356 CA LEU A 23 12.268 0.781 -8.049 1.00 0.00 C ATOM 357 C LEU A 23 12.048 0.592 -9.551 1.00 0.00 C ATOM 358 O LEU A 23 11.977 -0.537 -10.036 1.00 0.00 O ATOM 359 CB LEU A 23 12.534 -0.525 -7.298 1.00 0.00 C ATOM 360 CG LEU A 23 11.415 -1.567 -7.345 1.00 0.00 C ATOM 361 CD1 LEU A 23 11.975 -2.962 -7.625 1.00 0.00 C ATOM 362 CD2 LEU A 23 10.579 -1.532 -6.064 1.00 0.00 C ATOM 0 H LEU A 23 10.308 0.881 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 23 13.171 1.380 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.440 -0.976 -7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.737 -0.286 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 23 10.750 -1.316 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.158 -3.683 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.491 -2.961 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.676 -3.238 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.791 -2.282 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.218 -1.744 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.132 -0.545 -5.948 1.00 0.00 H new ATOM 374 N CYS A 24 11.947 1.715 -10.248 1.00 0.00 N ATOM 375 CA CYS A 24 11.738 1.688 -11.686 1.00 0.00 C ATOM 376 C CYS A 24 12.961 2.310 -12.361 1.00 0.00 C ATOM 377 O CYS A 24 12.864 2.830 -13.472 1.00 0.00 O ATOM 378 CB CYS A 24 10.443 2.400 -12.082 1.00 0.00 C ATOM 379 SG CYS A 24 9.509 1.379 -13.280 1.00 0.00 S ATOM 0 H CYS A 24 12.006 2.649 -9.843 1.00 0.00 H new ATOM 0 HA CYS A 24 11.625 0.657 -12.021 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.834 2.585 -11.197 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.672 3.372 -12.520 1.00 0.00 H new ATOM 0 HG CYS A 24 8.410 1.991 -13.608 1.00 0.00 H new ATOM 385 N LYS A 25 14.085 2.236 -11.663 1.00 0.00 N ATOM 386 CA LYS A 25 15.326 2.785 -12.182 1.00 0.00 C ATOM 387 C LYS A 25 16.501 1.941 -11.683 1.00 0.00 C ATOM 388 O LYS A 25 17.640 2.403 -11.669 1.00 0.00 O ATOM 389 CB LYS A 25 15.443 4.269 -11.829 1.00 0.00 C ATOM 390 CG LYS A 25 16.035 5.065 -12.995 1.00 0.00 C ATOM 391 CD LYS A 25 17.523 5.343 -12.769 1.00 0.00 C ATOM 392 CE LYS A 25 17.727 6.675 -12.044 1.00 0.00 C ATOM 393 NZ LYS A 25 18.542 6.482 -10.824 1.00 0.00 N ATOM 0 H LYS A 25 14.162 1.804 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 25 15.338 2.737 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.460 4.665 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.071 4.388 -10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.902 4.510 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.498 6.007 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.963 4.535 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.043 5.363 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.219 7.386 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.760 7.103 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.671 7.396 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.058 5.820 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.471 6.094 -11.085 1.00 0.00 H new ATOM 406 N LYS A 26 16.182 0.718 -11.287 1.00 0.00 N ATOM 407 CA LYS A 26 17.196 -0.197 -10.789 1.00 0.00 C ATOM 408 C LYS A 26 17.626 -1.137 -11.916 1.00 0.00 C ATOM 409 O LYS A 26 18.368 -0.738 -12.813 1.00 0.00 O ATOM 410 CB LYS A 26 16.695 -0.923 -9.538 1.00 0.00 C ATOM 411 CG LYS A 26 16.684 0.012 -8.329 1.00 0.00 C ATOM 412 CD LYS A 26 17.240 -0.688 -7.088 1.00 0.00 C ATOM 413 CE LYS A 26 16.235 -0.640 -5.935 1.00 0.00 C ATOM 414 NZ LYS A 26 16.914 -0.271 -4.672 1.00 0.00 N ATOM 0 H LYS A 26 15.235 0.339 -11.301 1.00 0.00 H new ATOM 0 HA LYS A 26 18.084 0.352 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.690 -1.307 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.333 -1.782 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.278 0.900 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.666 0.349 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.476 -1.725 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.171 -0.211 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.451 0.083 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.752 -1.611 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.218 -0.243 -3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.647 -0.976 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.355 0.665 -4.775 1.00 0.00 H new ATOM 427 N ARG A 27 17.143 -2.368 -11.835 1.00 0.00 N ATOM 428 CA ARG A 27 17.468 -3.368 -12.836 1.00 0.00 C ATOM 429 C ARG A 27 18.868 -3.933 -12.587 1.00 0.00 C ATOM 430 O ARG A 27 19.860 -3.359 -13.032 1.00 0.00 O ATOM 431 CB ARG A 27 17.407 -2.776 -14.246 1.00 0.00 C ATOM 432 CG ARG A 27 16.551 -3.644 -15.170 1.00 0.00 C ATOM 433 CD ARG A 27 17.376 -4.781 -15.775 1.00 0.00 C ATOM 434 NE ARG A 27 16.625 -6.053 -15.691 1.00 0.00 N ATOM 435 CZ ARG A 27 15.687 -6.438 -16.583 1.00 0.00 C ATOM 436 NH1 ARG A 27 15.380 -5.651 -17.636 1.00 0.00 N ATOM 437 NH2 ARG A 27 15.078 -7.596 -16.411 1.00 0.00 N ATOM 0 H ARG A 27 16.528 -2.695 -11.090 1.00 0.00 H new ATOM 0 HA ARG A 27 16.731 -4.167 -12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 27 16.994 -1.768 -14.203 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.415 -2.691 -14.652 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.711 -4.057 -14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.133 -3.030 -15.967 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.611 -4.556 -16.815 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.325 -4.874 -15.246 1.00 0.00 H new ATOM 0 HE ARG A 27 16.828 -6.678 -14.911 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.858 -4.759 -17.762 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.670 -5.949 -18.305 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.318 -8.185 -15.614 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.367 -7.902 -17.075 1.00 0.00 H new ATOM 450 N PRO A 28 18.903 -5.081 -11.859 1.00 0.00 N ATOM 451 CA PRO A 28 20.165 -5.730 -11.546 1.00 0.00 C ATOM 452 C PRO A 28 20.731 -6.449 -12.772 1.00 0.00 C ATOM 453 O PRO A 28 20.524 -7.649 -12.943 1.00 0.00 O ATOM 454 CB PRO A 28 19.848 -6.674 -10.397 1.00 0.00 C ATOM 455 CG PRO A 28 18.339 -6.862 -10.418 1.00 0.00 C ATOM 456 CD PRO A 28 17.748 -5.789 -11.317 1.00 0.00 C ATOM 0 HA PRO A 28 20.942 -5.022 -11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 28 20.362 -7.627 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 28 20.177 -6.256 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.083 -7.854 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 28 17.931 -6.783 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.144 -6.227 -12.111 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.099 -5.116 -10.756 1.00 0.00 H new ATOM 464 N LYS A 29 21.434 -5.685 -13.594 1.00 0.00 N ATOM 465 CA LYS A 29 22.031 -6.234 -14.800 1.00 0.00 C ATOM 466 C LYS A 29 23.123 -7.234 -14.413 1.00 0.00 C ATOM 467 O LYS A 29 23.455 -7.372 -13.237 1.00 0.00 O ATOM 468 CB LYS A 29 22.523 -5.110 -15.715 1.00 0.00 C ATOM 469 CG LYS A 29 21.681 -5.034 -16.991 1.00 0.00 C ATOM 470 CD LYS A 29 22.138 -3.877 -17.881 1.00 0.00 C ATOM 471 CE LYS A 29 21.163 -2.702 -17.794 1.00 0.00 C ATOM 472 NZ LYS A 29 20.580 -2.413 -19.125 1.00 0.00 N ATOM 0 H LYS A 29 21.604 -4.690 -13.449 1.00 0.00 H new ATOM 0 HA LYS A 29 21.286 -6.781 -15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 22.475 -4.158 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 29 23.568 -5.278 -15.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 21.760 -5.973 -17.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 20.631 -4.904 -16.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.133 -3.552 -17.578 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.214 -4.216 -18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.368 -2.933 -17.085 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.680 -1.820 -17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.920 -1.613 -19.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.341 -2.172 -19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.069 -3.251 -19.470 1.00 0.00 H new ATOM 485 N PRO A 30 23.666 -7.923 -15.453 1.00 0.00 N ATOM 486 CA PRO A 30 24.714 -8.906 -15.233 1.00 0.00 C ATOM 487 C PRO A 30 26.052 -8.225 -14.941 1.00 0.00 C ATOM 488 O PRO A 30 27.085 -8.624 -15.475 1.00 0.00 O ATOM 489 CB PRO A 30 24.737 -9.745 -16.500 1.00 0.00 C ATOM 490 CG PRO A 30 24.030 -8.918 -17.561 1.00 0.00 C ATOM 491 CD PRO A 30 23.297 -7.786 -16.858 1.00 0.00 C ATOM 0 HA PRO A 30 24.528 -9.532 -14.360 1.00 0.00 H new ATOM 0 HB2 PRO A 30 25.760 -9.972 -16.799 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.231 -10.698 -16.346 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.749 -8.520 -18.277 1.00 0.00 H new ATOM 0 HG3 PRO A 30 23.329 -9.536 -18.123 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.596 -6.815 -17.253 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.219 -7.868 -16.994 1.00 0.00 H new TER 499 PRO A 30