USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=5 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 74:sc= 0.445 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -147:sc= -0.1 (180deg=-0.707) 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 -20.995 2.030 -7.448 1.00 0.00 N ATOM 2 CA MET A 1 -20.572 3.410 -7.286 1.00 0.00 C ATOM 3 C MET A 1 -20.028 3.656 -5.877 1.00 0.00 C ATOM 4 O MET A 1 -18.930 4.186 -5.715 1.00 0.00 O ATOM 5 CB MET A 1 -21.758 4.342 -7.546 1.00 0.00 C ATOM 6 CG MET A 1 -21.290 5.674 -8.136 1.00 0.00 C ATOM 7 SD MET A 1 -22.285 6.096 -9.555 1.00 0.00 S ATOM 8 CE MET A 1 -21.468 5.120 -10.807 1.00 0.00 C ATOM 0 H1 MET A 1 -21.360 1.890 -8.412 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.185 1.398 -7.289 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.744 1.813 -6.760 1.00 0.00 H new ATOM 0 HA MET A 1 -19.776 3.612 -8.002 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.458 3.863 -8.230 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.295 4.521 -6.615 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.363 6.460 -7.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.241 5.605 -8.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.966 5.267 -11.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.426 5.431 -10.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.512 4.066 -10.533 1.00 0.00 H new ATOM 18 N VAL A 2 -20.824 3.261 -4.894 1.00 0.00 N ATOM 19 CA VAL A 2 -20.436 3.432 -3.504 1.00 0.00 C ATOM 20 C VAL A 2 -20.321 4.924 -3.191 1.00 0.00 C ATOM 21 O VAL A 2 -21.329 5.602 -2.996 1.00 0.00 O ATOM 22 CB VAL A 2 -19.145 2.661 -3.222 1.00 0.00 C ATOM 23 CG1 VAL A 2 -18.603 2.989 -1.829 1.00 0.00 C ATOM 24 CG2 VAL A 2 -19.359 1.155 -3.386 1.00 0.00 C ATOM 0 H VAL A 2 -21.735 2.824 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.197 3.019 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.401 2.976 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.685 2.428 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.394 4.057 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.344 2.717 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.426 0.630 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.126 0.818 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.677 0.942 -4.406 1.00 0.00 H new ATOM 34 N LYS A 3 -19.082 5.395 -3.153 1.00 0.00 N ATOM 35 CA LYS A 3 -18.822 6.796 -2.867 1.00 0.00 C ATOM 36 C LYS A 3 -18.801 7.007 -1.353 1.00 0.00 C ATOM 37 O LYS A 3 -19.829 7.317 -0.751 1.00 0.00 O ATOM 38 CB LYS A 3 -19.827 7.688 -3.599 1.00 0.00 C ATOM 39 CG LYS A 3 -19.128 8.881 -4.251 1.00 0.00 C ATOM 40 CD LYS A 3 -18.909 10.009 -3.240 1.00 0.00 C ATOM 41 CE LYS A 3 -19.984 11.088 -3.381 1.00 0.00 C ATOM 42 NZ LYS A 3 -20.967 10.989 -2.279 1.00 0.00 N ATOM 0 H LYS A 3 -18.248 4.831 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.841 7.086 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.348 7.107 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.582 8.043 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.169 8.565 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.727 9.247 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.926 9.604 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.924 10.450 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.520 12.074 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.492 10.981 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.689 11.729 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.422 10.054 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.481 11.114 -1.368 1.00 0.00 H new ATOM 55 N SER A 4 -17.619 6.833 -0.779 1.00 0.00 N ATOM 56 CA SER A 4 -17.451 7.000 0.655 1.00 0.00 C ATOM 57 C SER A 4 -16.181 6.284 1.120 1.00 0.00 C ATOM 58 O SER A 4 -15.578 6.670 2.120 1.00 0.00 O ATOM 59 CB SER A 4 -18.667 6.472 1.418 1.00 0.00 C ATOM 60 OG SER A 4 -19.490 7.528 1.907 1.00 0.00 O ATOM 0 H SER A 4 -16.769 6.578 -1.281 1.00 0.00 H new ATOM 0 HA SER A 4 -17.358 8.065 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.254 5.828 0.763 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.332 5.857 2.253 1.00 0.00 H new ATOM 0 HG SER A 4 -19.984 7.930 1.162 1.00 0.00 H new ATOM 66 N LYS A 5 -15.813 5.255 0.372 1.00 0.00 N ATOM 67 CA LYS A 5 -14.626 4.482 0.695 1.00 0.00 C ATOM 68 C LYS A 5 -13.688 4.464 -0.515 1.00 0.00 C ATOM 69 O LYS A 5 -13.421 3.406 -1.082 1.00 0.00 O ATOM 70 CB LYS A 5 -15.012 3.089 1.193 1.00 0.00 C ATOM 71 CG LYS A 5 -15.620 2.252 0.065 1.00 0.00 C ATOM 72 CD LYS A 5 -16.690 1.300 0.603 1.00 0.00 C ATOM 73 CE LYS A 5 -16.704 -0.012 -0.183 1.00 0.00 C ATOM 74 NZ LYS A 5 -16.600 -1.168 0.737 1.00 0.00 N ATOM 0 H LYS A 5 -16.316 4.938 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.080 4.949 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.132 2.584 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.727 3.177 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.058 2.910 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.836 1.680 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.502 1.094 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.669 1.775 0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.623 -0.084 -0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.876 -0.028 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.611 -2.051 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.712 -1.105 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.404 -1.161 1.396 1.00 0.00 H new ATOM 87 N ILE A 6 -13.216 5.648 -0.875 1.00 0.00 N ATOM 88 CA ILE A 6 -12.316 5.782 -2.007 1.00 0.00 C ATOM 89 C ILE A 6 -10.881 5.931 -1.497 1.00 0.00 C ATOM 90 O ILE A 6 -9.927 5.671 -2.229 1.00 0.00 O ATOM 91 CB ILE A 6 -12.765 6.926 -2.917 1.00 0.00 C ATOM 92 CG1 ILE A 6 -14.003 6.529 -3.724 1.00 0.00 C ATOM 93 CG2 ILE A 6 -11.620 7.393 -3.818 1.00 0.00 C ATOM 94 CD1 ILE A 6 -13.638 5.559 -4.848 1.00 0.00 C ATOM 0 H ILE A 6 -13.440 6.524 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.345 4.884 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 6 -13.046 7.772 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.738 6.067 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.468 7.420 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.967 8.207 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.791 7.742 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.285 6.563 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -14.536 5.293 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.921 6.033 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.196 4.658 -4.422 1.00 0.00 H new ATOM 106 N GLY A 7 -10.772 6.349 -0.244 1.00 0.00 N ATOM 107 CA GLY A 7 -9.470 6.535 0.373 1.00 0.00 C ATOM 108 C GLY A 7 -8.619 5.268 0.251 1.00 0.00 C ATOM 109 O GLY A 7 -7.396 5.346 0.141 1.00 0.00 O ATOM 0 H GLY A 7 -11.565 6.564 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.955 7.370 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.595 6.793 1.424 1.00 0.00 H new ATOM 113 N SER A 8 -9.300 4.133 0.274 1.00 0.00 N ATOM 114 CA SER A 8 -8.622 2.852 0.168 1.00 0.00 C ATOM 115 C SER A 8 -8.110 2.648 -1.259 1.00 0.00 C ATOM 116 O SER A 8 -7.190 1.865 -1.486 1.00 0.00 O ATOM 117 CB SER A 8 -9.550 1.702 0.569 1.00 0.00 C ATOM 118 OG SER A 8 -9.427 1.374 1.950 1.00 0.00 O ATOM 0 H SER A 8 -10.314 4.073 0.364 1.00 0.00 H new ATOM 0 HA SER A 8 -7.775 2.855 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.582 1.977 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.320 0.824 -0.034 1.00 0.00 H new ATOM 0 HG SER A 8 -10.036 0.637 2.167 1.00 0.00 H new ATOM 124 N TRP A 9 -8.731 3.365 -2.184 1.00 0.00 N ATOM 125 CA TRP A 9 -8.350 3.273 -3.584 1.00 0.00 C ATOM 126 C TRP A 9 -7.088 4.113 -3.786 1.00 0.00 C ATOM 127 O TRP A 9 -6.088 3.622 -4.310 1.00 0.00 O ATOM 128 CB TRP A 9 -9.503 3.697 -4.494 1.00 0.00 C ATOM 129 CG TRP A 9 -10.149 2.540 -5.259 1.00 0.00 C ATOM 130 CD1 TRP A 9 -11.417 2.110 -5.189 1.00 0.00 C ATOM 131 CD2 TRP A 9 -9.505 1.678 -6.220 1.00 0.00 C ATOM 132 NE1 TRP A 9 -11.635 1.039 -6.029 1.00 0.00 N ATOM 133 CE2 TRP A 9 -10.435 0.767 -6.677 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.179 1.667 -6.687 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -10.140 -0.222 -7.624 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.900 0.673 -7.633 1.00 0.00 C ATOM 137 CH2 TRP A 9 -8.825 -0.251 -8.103 1.00 0.00 C ATOM 0 H TRP A 9 -9.495 4.012 -1.992 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.128 2.241 -3.857 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.265 4.191 -3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.136 4.433 -5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.173 2.548 -4.554 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.515 0.538 -6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.434 2.370 -6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.886 -0.924 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.895 0.621 -8.025 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -8.531 -0.989 -8.835 1.00 0.00 H new ATOM 148 N ILE A 10 -7.174 5.365 -3.361 1.00 0.00 N ATOM 149 CA ILE A 10 -6.050 6.278 -3.489 1.00 0.00 C ATOM 150 C ILE A 10 -4.853 5.717 -2.719 1.00 0.00 C ATOM 151 O ILE A 10 -3.721 6.154 -2.922 1.00 0.00 O ATOM 152 CB ILE A 10 -6.455 7.688 -3.057 1.00 0.00 C ATOM 153 CG1 ILE A 10 -7.145 8.436 -4.200 1.00 0.00 C ATOM 154 CG2 ILE A 10 -5.251 8.461 -2.512 1.00 0.00 C ATOM 155 CD1 ILE A 10 -6.122 8.963 -5.207 1.00 0.00 C ATOM 0 H ILE A 10 -8.004 5.769 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.745 6.365 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.178 7.602 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.847 7.771 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.726 9.266 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.566 9.460 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.841 7.935 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.488 8.538 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.639 9.490 -6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.437 9.647 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.560 8.128 -5.625 1.00 0.00 H new ATOM 167 N LEU A 11 -5.143 4.759 -1.852 1.00 0.00 N ATOM 168 CA LEU A 11 -4.105 4.134 -1.050 1.00 0.00 C ATOM 169 C LEU A 11 -3.413 3.048 -1.876 1.00 0.00 C ATOM 170 O LEU A 11 -2.192 3.059 -2.024 1.00 0.00 O ATOM 171 CB LEU A 11 -4.681 3.628 0.273 1.00 0.00 C ATOM 172 CG LEU A 11 -4.094 4.249 1.542 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.607 3.912 1.681 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.345 5.758 1.581 1.00 0.00 C ATOM 0 H LEU A 11 -6.083 4.400 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.342 4.864 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.756 3.806 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.536 2.549 0.320 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.605 3.815 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.215 4.366 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.482 2.830 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.064 4.300 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.918 6.174 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.878 6.227 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.418 5.949 1.563 1.00 0.00 H new ATOM 186 N VAL A 12 -4.224 2.136 -2.393 1.00 0.00 N ATOM 187 CA VAL A 12 -3.705 1.046 -3.200 1.00 0.00 C ATOM 188 C VAL A 12 -2.916 1.619 -4.379 1.00 0.00 C ATOM 189 O VAL A 12 -2.114 0.917 -4.994 1.00 0.00 O ATOM 190 CB VAL A 12 -4.849 0.127 -3.636 1.00 0.00 C ATOM 191 CG1 VAL A 12 -5.454 0.597 -4.961 1.00 0.00 C ATOM 192 CG2 VAL A 12 -4.380 -1.326 -3.732 1.00 0.00 C ATOM 0 H VAL A 12 -5.236 2.130 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.017 0.433 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.628 0.177 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.265 -0.073 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.843 1.609 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.686 0.590 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.212 -1.957 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.575 -1.401 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.019 -1.657 -2.758 1.00 0.00 H new ATOM 202 N LEU A 13 -3.170 2.888 -4.658 1.00 0.00 N ATOM 203 CA LEU A 13 -2.495 3.564 -5.752 1.00 0.00 C ATOM 204 C LEU A 13 -1.129 4.063 -5.273 1.00 0.00 C ATOM 205 O LEU A 13 -0.121 3.872 -5.951 1.00 0.00 O ATOM 206 CB LEU A 13 -3.382 4.668 -6.332 1.00 0.00 C ATOM 207 CG LEU A 13 -4.659 4.200 -7.034 1.00 0.00 C ATOM 208 CD1 LEU A 13 -5.003 5.115 -8.211 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.546 2.735 -7.461 1.00 0.00 C ATOM 0 H LEU A 13 -3.835 3.467 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.313 2.869 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.662 5.345 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.791 5.246 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.483 4.265 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.914 4.761 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.155 6.132 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.185 5.105 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.467 2.429 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.708 2.620 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.383 2.111 -6.582 1.00 0.00 H new ATOM 221 N PHE A 14 -1.141 4.690 -4.106 1.00 0.00 N ATOM 222 CA PHE A 14 0.083 5.217 -3.528 1.00 0.00 C ATOM 223 C PHE A 14 1.119 4.108 -3.333 1.00 0.00 C ATOM 224 O PHE A 14 2.322 4.359 -3.397 1.00 0.00 O ATOM 225 CB PHE A 14 -0.283 5.801 -2.162 1.00 0.00 C ATOM 226 CG PHE A 14 -1.084 7.103 -2.236 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.448 7.610 -3.445 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.433 7.753 -1.093 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.192 8.817 -3.514 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.176 8.960 -1.162 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.540 9.467 -2.371 1.00 0.00 C ATOM 0 H PHE A 14 -1.979 4.845 -3.545 1.00 0.00 H new ATOM 0 HA PHE A 14 0.514 5.968 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.860 5.063 -1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.632 5.981 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.171 7.094 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.145 7.350 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.482 9.219 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.453 9.476 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.105 10.386 -2.423 1.00 0.00 H new ATOM 241 N VAL A 15 0.615 2.905 -3.100 1.00 0.00 N ATOM 242 CA VAL A 15 1.482 1.757 -2.896 1.00 0.00 C ATOM 243 C VAL A 15 1.757 1.086 -4.243 1.00 0.00 C ATOM 244 O VAL A 15 2.741 0.362 -4.390 1.00 0.00 O ATOM 245 CB VAL A 15 0.859 0.807 -1.872 1.00 0.00 C ATOM 246 CG1 VAL A 15 1.025 1.348 -0.450 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.615 0.545 -2.190 1.00 0.00 C ATOM 0 H VAL A 15 -0.383 2.700 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 15 2.442 2.071 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 15 1.388 -0.144 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.573 0.654 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.086 1.458 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.534 2.318 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.033 -0.133 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.164 1.486 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.699 0.095 -3.179 1.00 0.00 H new ATOM 257 N ALA A 16 0.872 1.351 -5.192 1.00 0.00 N ATOM 258 CA ALA A 16 1.007 0.782 -6.523 1.00 0.00 C ATOM 259 C ALA A 16 1.958 1.649 -7.349 1.00 0.00 C ATOM 260 O ALA A 16 2.707 1.137 -8.181 1.00 0.00 O ATOM 261 CB ALA A 16 -0.374 0.655 -7.167 1.00 0.00 C ATOM 0 H ALA A 16 0.058 1.953 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 16 1.435 -0.219 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.272 0.228 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.002 0.005 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.834 1.641 -7.239 1.00 0.00 H new ATOM 267 N MET A 17 1.900 2.947 -7.092 1.00 0.00 N ATOM 268 CA MET A 17 2.748 3.890 -7.801 1.00 0.00 C ATOM 269 C MET A 17 4.202 3.774 -7.341 1.00 0.00 C ATOM 270 O MET A 17 5.124 3.998 -8.124 1.00 0.00 O ATOM 271 CB MET A 17 2.245 5.315 -7.554 1.00 0.00 C ATOM 272 CG MET A 17 2.336 6.156 -8.827 1.00 0.00 C ATOM 273 SD MET A 17 0.787 6.994 -9.117 1.00 0.00 S ATOM 274 CE MET A 17 -0.272 5.590 -9.423 1.00 0.00 C ATOM 0 H MET A 17 1.278 3.368 -6.402 1.00 0.00 H new ATOM 0 HA MET A 17 2.705 3.659 -8.865 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.212 5.285 -7.207 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.834 5.780 -6.763 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.141 6.885 -8.735 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.579 5.519 -9.677 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.039 5.864 -10.148 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.322 4.765 -9.817 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.747 5.282 -8.491 1.00 0.00 H new ATOM 284 N TRP A 18 4.362 3.424 -6.073 1.00 0.00 N ATOM 285 CA TRP A 18 5.689 3.276 -5.500 1.00 0.00 C ATOM 286 C TRP A 18 6.256 1.932 -5.962 1.00 0.00 C ATOM 287 O TRP A 18 7.438 1.831 -6.285 1.00 0.00 O ATOM 288 CB TRP A 18 5.648 3.416 -3.977 1.00 0.00 C ATOM 289 CG TRP A 18 6.611 2.484 -3.240 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.889 2.212 -3.543 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.323 1.709 -2.058 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.442 1.321 -2.646 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.460 1.006 -1.714 1.00 0.00 C ATOM 294 CE3 TRP A 18 5.141 1.605 -1.304 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.526 0.150 -0.608 1.00 0.00 C ATOM 296 CZ3 TRP A 18 5.224 0.745 -0.201 1.00 0.00 C ATOM 297 CH2 TRP A 18 6.360 0.030 0.158 1.00 0.00 C ATOM 0 H TRP A 18 3.595 3.239 -5.427 1.00 0.00 H new ATOM 0 HA TRP A 18 6.350 4.071 -5.847 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.881 4.447 -3.711 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.633 3.220 -3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.418 2.637 -4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.396 0.960 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.240 2.145 -1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.428 -0.389 -0.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.343 0.630 0.413 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.344 -0.615 1.024 1.00 0.00 H new ATOM 308 N SER A 19 5.386 0.933 -5.979 1.00 0.00 N ATOM 309 CA SER A 19 5.784 -0.400 -6.395 1.00 0.00 C ATOM 310 C SER A 19 6.195 -0.387 -7.870 1.00 0.00 C ATOM 311 O SER A 19 6.901 -1.283 -8.329 1.00 0.00 O ATOM 312 CB SER A 19 4.657 -1.409 -6.167 1.00 0.00 C ATOM 313 OG SER A 19 4.933 -2.279 -5.072 1.00 0.00 O ATOM 0 H SER A 19 4.406 1.021 -5.711 1.00 0.00 H new ATOM 0 HA SER A 19 6.637 -0.707 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.725 -0.876 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.511 -2.000 -7.071 1.00 0.00 H new ATOM 0 HG SER A 19 4.189 -2.907 -4.958 1.00 0.00 H new ATOM 319 N ASP A 20 5.734 0.639 -8.570 1.00 0.00 N ATOM 320 CA ASP A 20 6.043 0.780 -9.982 1.00 0.00 C ATOM 321 C ASP A 20 7.399 1.474 -10.135 1.00 0.00 C ATOM 322 O ASP A 20 8.198 1.098 -10.991 1.00 0.00 O ATOM 323 CB ASP A 20 4.992 1.634 -10.694 1.00 0.00 C ATOM 324 CG ASP A 20 4.404 1.013 -11.962 1.00 0.00 C ATOM 325 OD1 ASP A 20 3.196 0.745 -12.041 1.00 0.00 O ATOM 326 OD2 ASP A 20 5.254 0.800 -12.909 1.00 0.00 O ATOM 0 H ASP A 20 5.149 1.381 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 20 6.058 -0.216 -10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.179 1.838 -9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.440 2.594 -10.952 1.00 0.00 H new ATOM 332 N VAL A 21 7.614 2.472 -9.293 1.00 0.00 N ATOM 333 CA VAL A 21 8.860 3.222 -9.325 1.00 0.00 C ATOM 334 C VAL A 21 10.001 2.326 -8.839 1.00 0.00 C ATOM 335 O VAL A 21 11.163 2.563 -9.168 1.00 0.00 O ATOM 336 CB VAL A 21 8.718 4.506 -8.505 1.00 0.00 C ATOM 337 CG1 VAL A 21 10.082 5.159 -8.269 1.00 0.00 C ATOM 338 CG2 VAL A 21 7.751 5.482 -9.177 1.00 0.00 C ATOM 0 H VAL A 21 6.948 2.780 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 21 9.097 3.527 -10.344 1.00 0.00 H new ATOM 0 HB VAL A 21 8.302 4.239 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.953 6.070 -7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.727 4.468 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.538 5.405 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.668 6.386 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.125 5.740 -10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.770 5.016 -9.269 1.00 0.00 H new ATOM 348 N GLY A 22 9.631 1.316 -8.066 1.00 0.00 N ATOM 349 CA GLY A 22 10.610 0.384 -7.533 1.00 0.00 C ATOM 350 C GLY A 22 11.570 -0.088 -8.626 1.00 0.00 C ATOM 351 O GLY A 22 12.717 -0.429 -8.345 1.00 0.00 O ATOM 0 H GLY A 22 8.667 1.122 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.173 0.862 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.100 -0.475 -7.097 1.00 0.00 H new ATOM 355 N LEU A 23 11.065 -0.091 -9.852 1.00 0.00 N ATOM 356 CA LEU A 23 11.865 -0.516 -10.988 1.00 0.00 C ATOM 357 C LEU A 23 11.801 0.557 -12.078 1.00 0.00 C ATOM 358 O LEU A 23 11.105 0.390 -13.078 1.00 0.00 O ATOM 359 CB LEU A 23 11.426 -1.902 -11.463 1.00 0.00 C ATOM 360 CG LEU A 23 10.043 -1.983 -12.113 1.00 0.00 C ATOM 361 CD1 LEU A 23 10.138 -2.520 -13.542 1.00 0.00 C ATOM 362 CD2 LEU A 23 9.081 -2.807 -11.253 1.00 0.00 C ATOM 0 H LEU A 23 10.113 0.194 -10.083 1.00 0.00 H new ATOM 0 HA LEU A 23 12.912 -0.620 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.163 -2.270 -12.177 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.444 -2.579 -10.609 1.00 0.00 H new ATOM 0 HG LEU A 23 9.636 -0.974 -12.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.141 -2.567 -13.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.765 -1.858 -14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.575 -3.518 -13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.105 -2.849 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.472 -3.818 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.980 -2.342 -10.273 1.00 0.00 H new ATOM 374 N CYS A 24 12.539 1.633 -11.848 1.00 0.00 N ATOM 375 CA CYS A 24 12.576 2.732 -12.798 1.00 0.00 C ATOM 376 C CYS A 24 13.390 3.871 -12.182 1.00 0.00 C ATOM 377 O CYS A 24 14.116 4.571 -12.887 1.00 0.00 O ATOM 378 CB CYS A 24 11.168 3.186 -13.193 1.00 0.00 C ATOM 379 SG CYS A 24 11.050 3.345 -15.013 1.00 0.00 S ATOM 0 H CYS A 24 13.116 1.767 -11.018 1.00 0.00 H new ATOM 0 HA CYS A 24 13.053 2.403 -13.721 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.431 2.468 -12.834 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.939 4.141 -12.720 1.00 0.00 H new ATOM 0 HG CYS A 24 9.851 3.728 -15.338 1.00 0.00 H new ATOM 385 N LYS A 25 13.243 4.023 -10.875 1.00 0.00 N ATOM 386 CA LYS A 25 13.956 5.066 -10.157 1.00 0.00 C ATOM 387 C LYS A 25 15.130 4.444 -9.399 1.00 0.00 C ATOM 388 O LYS A 25 16.101 5.130 -9.082 1.00 0.00 O ATOM 389 CB LYS A 25 12.995 5.854 -9.264 1.00 0.00 C ATOM 390 CG LYS A 25 13.704 7.044 -8.613 1.00 0.00 C ATOM 391 CD LYS A 25 12.731 8.201 -8.380 1.00 0.00 C ATOM 392 CE LYS A 25 12.622 9.084 -9.626 1.00 0.00 C ATOM 393 NZ LYS A 25 11.347 9.836 -9.617 1.00 0.00 N ATOM 0 H LYS A 25 12.640 3.441 -10.293 1.00 0.00 H new ATOM 0 HA LYS A 25 14.374 5.792 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.151 6.208 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.591 5.200 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.142 6.736 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.524 7.376 -9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.748 7.808 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.068 8.800 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.461 9.779 -9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.681 8.467 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.288 10.430 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.550 9.168 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.306 10.439 -8.771 1.00 0.00 H new ATOM 406 N LYS A 26 15.004 3.154 -9.129 1.00 0.00 N ATOM 407 CA LYS A 26 16.042 2.433 -8.414 1.00 0.00 C ATOM 408 C LYS A 26 17.059 1.884 -9.418 1.00 0.00 C ATOM 409 O LYS A 26 17.897 2.626 -9.927 1.00 0.00 O ATOM 410 CB LYS A 26 15.427 1.360 -7.513 1.00 0.00 C ATOM 411 CG LYS A 26 15.059 1.939 -6.145 1.00 0.00 C ATOM 412 CD LYS A 26 13.713 1.396 -5.665 1.00 0.00 C ATOM 413 CE LYS A 26 12.789 2.533 -5.222 1.00 0.00 C ATOM 414 NZ LYS A 26 12.954 2.800 -3.775 1.00 0.00 N ATOM 0 H LYS A 26 14.197 2.588 -9.393 1.00 0.00 H new ATOM 0 HA LYS A 26 16.582 3.105 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.537 0.947 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.132 0.538 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.835 1.691 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.016 3.026 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.239 0.829 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.870 0.706 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.013 3.435 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.752 2.271 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.320 3.574 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.718 1.943 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.939 3.071 -3.582 1.00 0.00 H new ATOM 427 N ARG A 27 16.951 0.588 -9.672 1.00 0.00 N ATOM 428 CA ARG A 27 17.852 -0.070 -10.604 1.00 0.00 C ATOM 429 C ARG A 27 17.074 -0.585 -11.817 1.00 0.00 C ATOM 430 O ARG A 27 16.541 -1.693 -11.792 1.00 0.00 O ATOM 431 CB ARG A 27 18.577 -1.239 -9.938 1.00 0.00 C ATOM 432 CG ARG A 27 20.022 -0.866 -9.598 1.00 0.00 C ATOM 433 CD ARG A 27 20.421 -1.411 -8.225 1.00 0.00 C ATOM 434 NE ARG A 27 21.439 -0.533 -7.607 1.00 0.00 N ATOM 435 CZ ARG A 27 22.749 -0.546 -7.934 1.00 0.00 C ATOM 436 NH1 ARG A 27 23.211 -1.394 -8.876 1.00 0.00 N ATOM 437 NH2 ARG A 27 23.570 0.284 -7.318 1.00 0.00 N ATOM 0 H ARG A 27 16.253 -0.024 -9.249 1.00 0.00 H new ATOM 0 HA ARG A 27 18.591 0.664 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.049 -1.529 -9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.567 -2.103 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.693 -1.263 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.134 0.218 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.544 -1.474 -7.581 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.815 -2.422 -8.327 1.00 0.00 H new ATOM 0 HE ARG A 27 21.132 0.123 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.569 -2.032 -9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.202 -1.397 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.212 0.922 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.563 0.287 -7.553 1.00 0.00 H new ATOM 450 N PRO A 28 17.033 0.266 -12.878 1.00 0.00 N ATOM 451 CA PRO A 28 16.330 -0.092 -14.097 1.00 0.00 C ATOM 452 C PRO A 28 17.125 -1.118 -14.907 1.00 0.00 C ATOM 453 O PRO A 28 18.129 -1.646 -14.433 1.00 0.00 O ATOM 454 CB PRO A 28 16.129 1.221 -14.836 1.00 0.00 C ATOM 455 CG PRO A 28 17.129 2.195 -14.234 1.00 0.00 C ATOM 456 CD PRO A 28 17.652 1.586 -12.943 1.00 0.00 C ATOM 0 HA PRO A 28 15.372 -0.575 -13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.299 1.097 -15.905 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.109 1.585 -14.716 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.948 2.379 -14.929 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.655 3.157 -14.038 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.740 1.513 -12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.380 2.194 -12.080 1.00 0.00 H new ATOM 464 N LYS A 29 16.645 -1.370 -16.116 1.00 0.00 N ATOM 465 CA LYS A 29 17.298 -2.324 -16.997 1.00 0.00 C ATOM 466 C LYS A 29 16.541 -2.387 -18.325 1.00 0.00 C ATOM 467 O LYS A 29 15.618 -3.184 -18.481 1.00 0.00 O ATOM 468 CB LYS A 29 17.440 -3.682 -16.305 1.00 0.00 C ATOM 469 CG LYS A 29 18.793 -4.322 -16.628 1.00 0.00 C ATOM 470 CD LYS A 29 18.711 -5.847 -16.539 1.00 0.00 C ATOM 471 CE LYS A 29 18.609 -6.473 -17.931 1.00 0.00 C ATOM 472 NZ LYS A 29 19.941 -6.528 -18.574 1.00 0.00 N ATOM 0 H LYS A 29 15.812 -0.930 -16.506 1.00 0.00 H new ATOM 0 HA LYS A 29 18.314 -2.000 -17.224 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.341 -3.557 -15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.635 -4.343 -16.625 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.109 -4.029 -17.629 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.549 -3.953 -15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.592 -6.233 -16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.845 -6.134 -15.943 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.194 -7.478 -17.855 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.924 -5.891 -18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.853 -6.956 -19.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.323 -5.565 -18.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.584 -7.102 -17.992 1.00 0.00 H new ATOM 485 N PRO A 30 16.972 -1.512 -19.274 1.00 0.00 N ATOM 486 CA PRO A 30 16.346 -1.461 -20.584 1.00 0.00 C ATOM 487 C PRO A 30 16.770 -2.655 -21.442 1.00 0.00 C ATOM 488 O PRO A 30 17.905 -3.118 -21.349 1.00 0.00 O ATOM 489 CB PRO A 30 16.771 -0.126 -21.171 1.00 0.00 C ATOM 490 CG PRO A 30 17.988 0.312 -20.372 1.00 0.00 C ATOM 491 CD PRO A 30 18.063 -0.554 -19.125 1.00 0.00 C ATOM 0 HA PRO A 30 15.259 -1.531 -20.534 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.013 -0.224 -22.229 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.969 0.608 -21.094 1.00 0.00 H new ATOM 0 HG2 PRO A 30 18.895 0.204 -20.967 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.908 1.365 -20.101 1.00 0.00 H new ATOM 0 HD2 PRO A 30 19.026 -1.059 -19.051 1.00 0.00 H new ATOM 0 HD3 PRO A 30 17.945 0.043 -18.221 1.00 0.00 H new TER 499 PRO A 30