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+ -177:sc= 0 (180deg=-0.00916) 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 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 92:sc= 0.614 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.283 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 -10.186 -2.981 -3.313 1.00 0.00 N ATOM 2 CA MET A 1 -11.413 -3.508 -2.741 1.00 0.00 C ATOM 3 C MET A 1 -11.866 -2.668 -1.545 1.00 0.00 C ATOM 4 O MET A 1 -11.084 -2.409 -0.632 1.00 0.00 O ATOM 5 CB MET A 1 -11.190 -4.953 -2.294 1.00 0.00 C ATOM 6 CG MET A 1 -11.065 -5.887 -3.500 1.00 0.00 C ATOM 7 SD MET A 1 -9.396 -6.510 -3.619 1.00 0.00 S ATOM 8 CE MET A 1 -9.720 -8.265 -3.620 1.00 0.00 C ATOM 0 H1 MET A 1 -9.928 -3.537 -4.153 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.329 -1.988 -3.586 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.422 -3.040 -2.610 1.00 0.00 H new ATOM 0 HA MET A 1 -12.191 -3.471 -3.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.287 -5.014 -1.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.020 -5.275 -1.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.765 -6.716 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.329 -5.353 -4.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.778 -8.809 -3.690 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.231 -8.541 -2.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.349 -8.518 -4.473 1.00 0.00 H new ATOM 18 N VAL A 2 -13.127 -2.265 -1.588 1.00 0.00 N ATOM 19 CA VAL A 2 -13.694 -1.460 -0.519 1.00 0.00 C ATOM 20 C VAL A 2 -15.188 -1.257 -0.775 1.00 0.00 C ATOM 21 O VAL A 2 -15.829 -2.086 -1.419 1.00 0.00 O ATOM 22 CB VAL A 2 -12.925 -0.143 -0.393 1.00 0.00 C ATOM 23 CG1 VAL A 2 -13.462 0.901 -1.375 1.00 0.00 C ATOM 24 CG2 VAL A 2 -12.968 0.382 1.042 1.00 0.00 C ATOM 0 H VAL A 2 -13.773 -2.481 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.596 -1.973 0.438 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.883 -0.338 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.899 1.828 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.356 0.530 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.515 1.090 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.414 1.319 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.004 0.553 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.517 -0.351 1.711 1.00 0.00 H new ATOM 34 N LYS A 3 -15.700 -0.150 -0.258 1.00 0.00 N ATOM 35 CA LYS A 3 -17.108 0.171 -0.422 1.00 0.00 C ATOM 36 C LYS A 3 -17.366 1.588 0.094 1.00 0.00 C ATOM 37 O LYS A 3 -17.143 2.564 -0.621 1.00 0.00 O ATOM 38 CB LYS A 3 -17.982 -0.895 0.242 1.00 0.00 C ATOM 39 CG LYS A 3 -18.447 -1.936 -0.778 1.00 0.00 C ATOM 40 CD LYS A 3 -18.103 -3.352 -0.312 1.00 0.00 C ATOM 41 CE LYS A 3 -18.569 -4.393 -1.332 1.00 0.00 C ATOM 42 NZ LYS A 3 -17.530 -5.429 -1.525 1.00 0.00 N ATOM 0 H LYS A 3 -15.165 0.536 0.275 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.381 0.161 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.422 -1.386 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -18.848 -0.423 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.523 -1.850 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.976 -1.742 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.027 -3.439 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.574 -3.546 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.495 -4.857 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.788 -3.907 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.862 -6.128 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.656 -4.984 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.341 -5.904 -0.619 1.00 0.00 H new ATOM 55 N SER A 4 -17.833 1.656 1.333 1.00 0.00 N ATOM 56 CA SER A 4 -18.124 2.937 1.953 1.00 0.00 C ATOM 57 C SER A 4 -16.841 3.761 2.080 1.00 0.00 C ATOM 58 O SER A 4 -16.895 4.977 2.258 1.00 0.00 O ATOM 59 CB SER A 4 -18.773 2.749 3.326 1.00 0.00 C ATOM 60 OG SER A 4 -19.811 3.697 3.560 1.00 0.00 O ATOM 0 H SER A 4 -18.017 0.845 1.923 1.00 0.00 H new ATOM 0 HA SER A 4 -18.830 3.472 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 4 -19.180 1.740 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.014 2.844 4.102 1.00 0.00 H new ATOM 0 HG SER A 4 -20.201 3.543 4.446 1.00 0.00 H new ATOM 66 N LYS A 5 -15.717 3.066 1.982 1.00 0.00 N ATOM 67 CA LYS A 5 -14.423 3.718 2.084 1.00 0.00 C ATOM 68 C LYS A 5 -13.811 3.849 0.688 1.00 0.00 C ATOM 69 O LYS A 5 -12.766 3.266 0.407 1.00 0.00 O ATOM 70 CB LYS A 5 -13.527 2.979 3.081 1.00 0.00 C ATOM 71 CG LYS A 5 -13.833 3.409 4.517 1.00 0.00 C ATOM 72 CD LYS A 5 -14.613 2.322 5.259 1.00 0.00 C ATOM 73 CE LYS A 5 -14.692 2.629 6.756 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.307 1.440 7.549 1.00 0.00 N ATOM 0 H LYS A 5 -15.676 2.058 1.833 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.536 4.727 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.675 1.904 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.480 3.180 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.902 3.618 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.409 4.334 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.619 2.245 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.132 1.356 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.034 3.463 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.705 2.936 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.366 1.665 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.952 0.654 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.333 1.165 7.311 1.00 0.00 H new ATOM 87 N ILE A 6 -14.491 4.618 -0.151 1.00 0.00 N ATOM 88 CA ILE A 6 -14.028 4.833 -1.511 1.00 0.00 C ATOM 89 C ILE A 6 -12.619 5.428 -1.478 1.00 0.00 C ATOM 90 O ILE A 6 -11.902 5.394 -2.477 1.00 0.00 O ATOM 91 CB ILE A 6 -15.034 5.680 -2.292 1.00 0.00 C ATOM 92 CG1 ILE A 6 -16.204 4.826 -2.785 1.00 0.00 C ATOM 93 CG2 ILE A 6 -14.349 6.429 -3.437 1.00 0.00 C ATOM 94 CD1 ILE A 6 -17.484 5.657 -2.891 1.00 0.00 C ATOM 0 H ILE A 6 -15.359 5.099 0.085 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.962 3.885 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 6 -15.445 6.431 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.962 4.399 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -16.363 3.992 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.087 7.023 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -13.579 7.086 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -13.892 5.712 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -18.300 5.026 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -17.737 6.063 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -17.329 6.476 -3.594 1.00 0.00 H new ATOM 106 N GLY A 7 -12.263 5.961 -0.317 1.00 0.00 N ATOM 107 CA GLY A 7 -10.953 6.563 -0.140 1.00 0.00 C ATOM 108 C GLY A 7 -9.932 5.526 0.334 1.00 0.00 C ATOM 109 O GLY A 7 -9.026 5.847 1.100 1.00 0.00 O ATOM 0 H GLY A 7 -12.860 5.988 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.621 7.002 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.017 7.374 0.586 1.00 0.00 H new ATOM 113 N SER A 8 -10.116 4.302 -0.141 1.00 0.00 N ATOM 114 CA SER A 8 -9.222 3.216 0.225 1.00 0.00 C ATOM 115 C SER A 8 -8.391 2.791 -0.987 1.00 0.00 C ATOM 116 O SER A 8 -7.318 2.209 -0.835 1.00 0.00 O ATOM 117 CB SER A 8 -10.004 2.024 0.778 1.00 0.00 C ATOM 118 OG SER A 8 -10.176 2.106 2.190 1.00 0.00 O ATOM 0 H SER A 8 -10.870 4.039 -0.775 1.00 0.00 H new ATOM 0 HA SER A 8 -8.553 3.572 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.981 1.976 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.481 1.101 0.530 1.00 0.00 H new ATOM 0 HG SER A 8 -10.682 1.327 2.504 1.00 0.00 H new ATOM 124 N TRP A 9 -8.918 3.099 -2.164 1.00 0.00 N ATOM 125 CA TRP A 9 -8.238 2.756 -3.401 1.00 0.00 C ATOM 126 C TRP A 9 -7.091 3.749 -3.601 1.00 0.00 C ATOM 127 O TRP A 9 -6.038 3.389 -4.125 1.00 0.00 O ATOM 128 CB TRP A 9 -9.219 2.730 -4.576 1.00 0.00 C ATOM 129 CG TRP A 9 -9.301 4.049 -5.346 1.00 0.00 C ATOM 130 CD1 TRP A 9 -9.797 5.221 -4.925 1.00 0.00 C ATOM 131 CD2 TRP A 9 -8.855 4.284 -6.698 1.00 0.00 C ATOM 132 NE1 TRP A 9 -9.701 6.191 -5.902 1.00 0.00 N ATOM 133 CE2 TRP A 9 -9.111 5.604 -7.014 1.00 0.00 C ATOM 134 CE3 TRP A 9 -8.255 3.413 -7.623 1.00 0.00 C ATOM 135 CZ2 TRP A 9 -8.799 6.168 -8.257 1.00 0.00 C ATOM 136 CZ3 TRP A 9 -7.949 3.992 -8.860 1.00 0.00 C ATOM 137 CH2 TRP A 9 -8.201 5.318 -9.194 1.00 0.00 C ATOM 0 H TRP A 9 -9.808 3.582 -2.286 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.822 1.750 -3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.925 1.937 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.211 2.477 -4.202 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.219 5.386 -3.944 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.007 7.161 -5.822 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.046 2.378 -7.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -9.009 7.204 -8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.485 3.365 -9.607 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -7.936 5.690 -10.173 1.00 0.00 H new ATOM 148 N ILE A 10 -7.335 4.979 -3.173 1.00 0.00 N ATOM 149 CA ILE A 10 -6.335 6.027 -3.300 1.00 0.00 C ATOM 150 C ILE A 10 -5.016 5.542 -2.695 1.00 0.00 C ATOM 151 O ILE A 10 -3.943 5.838 -3.218 1.00 0.00 O ATOM 152 CB ILE A 10 -6.848 7.333 -2.690 1.00 0.00 C ATOM 153 CG1 ILE A 10 -5.831 8.461 -2.876 1.00 0.00 C ATOM 154 CG2 ILE A 10 -7.228 7.140 -1.220 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.849 8.984 -4.314 1.00 0.00 C ATOM 0 H ILE A 10 -8.209 5.274 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.143 6.246 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.754 7.625 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.055 9.275 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.833 8.100 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.589 8.083 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.012 6.387 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.353 6.812 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.117 9.785 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.601 8.173 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.842 9.367 -4.550 1.00 0.00 H new ATOM 167 N LEU A 11 -5.139 4.804 -1.601 1.00 0.00 N ATOM 168 CA LEU A 11 -3.970 4.276 -0.919 1.00 0.00 C ATOM 169 C LEU A 11 -3.323 3.196 -1.788 1.00 0.00 C ATOM 170 O LEU A 11 -2.100 3.135 -1.901 1.00 0.00 O ATOM 171 CB LEU A 11 -4.340 3.796 0.486 1.00 0.00 C ATOM 172 CG LEU A 11 -3.779 4.618 1.647 1.00 0.00 C ATOM 173 CD1 LEU A 11 -2.249 4.578 1.658 1.00 0.00 C ATOM 174 CD2 LEU A 11 -4.314 6.052 1.612 1.00 0.00 C ATOM 0 H LEU A 11 -6.031 4.559 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.226 5.059 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.427 3.782 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.999 2.767 0.598 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.120 4.169 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.876 5.170 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.913 3.547 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.868 4.988 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.900 6.615 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.022 6.526 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.401 6.037 1.688 1.00 0.00 H new ATOM 186 N VAL A 12 -4.173 2.370 -2.380 1.00 0.00 N ATOM 187 CA VAL A 12 -3.699 1.296 -3.237 1.00 0.00 C ATOM 188 C VAL A 12 -2.930 1.892 -4.417 1.00 0.00 C ATOM 189 O VAL A 12 -2.112 1.212 -5.037 1.00 0.00 O ATOM 190 CB VAL A 12 -4.873 0.416 -3.670 1.00 0.00 C ATOM 191 CG1 VAL A 12 -4.393 -0.754 -4.532 1.00 0.00 C ATOM 192 CG2 VAL A 12 -5.662 -0.083 -2.458 1.00 0.00 C ATOM 0 H VAL A 12 -5.187 2.423 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.009 0.650 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.542 1.026 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.247 -1.364 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.897 -0.370 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.692 -1.363 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.491 -0.706 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.007 -0.668 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.052 0.769 -1.902 1.00 0.00 H new ATOM 202 N LEU A 13 -3.219 3.155 -4.694 1.00 0.00 N ATOM 203 CA LEU A 13 -2.565 3.849 -5.790 1.00 0.00 C ATOM 204 C LEU A 13 -1.145 4.232 -5.369 1.00 0.00 C ATOM 205 O LEU A 13 -0.182 3.926 -6.071 1.00 0.00 O ATOM 206 CB LEU A 13 -3.411 5.037 -6.252 1.00 0.00 C ATOM 207 CG LEU A 13 -4.732 4.692 -6.942 1.00 0.00 C ATOM 208 CD1 LEU A 13 -4.945 5.559 -8.185 1.00 0.00 C ATOM 209 CD2 LEU A 13 -4.808 3.198 -7.265 1.00 0.00 C ATOM 0 H LEU A 13 -3.897 3.716 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.476 3.195 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.629 5.661 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.813 5.639 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.546 4.914 -6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.891 5.293 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.966 6.610 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.130 5.392 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.757 2.979 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.986 2.927 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.735 2.622 -6.342 1.00 0.00 H new ATOM 221 N PHE A 14 -1.059 4.896 -4.226 1.00 0.00 N ATOM 222 CA PHE A 14 0.227 5.325 -3.704 1.00 0.00 C ATOM 223 C PHE A 14 1.201 4.148 -3.613 1.00 0.00 C ATOM 224 O PHE A 14 2.388 4.296 -3.902 1.00 0.00 O ATOM 225 CB PHE A 14 -0.021 5.876 -2.299 1.00 0.00 C ATOM 226 CG PHE A 14 -0.555 7.309 -2.278 1.00 0.00 C ATOM 227 CD1 PHE A 14 0.265 8.345 -2.597 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.851 7.547 -1.939 1.00 0.00 C ATOM 229 CE1 PHE A 14 -0.232 9.676 -2.578 1.00 0.00 C ATOM 230 CE2 PHE A 14 -2.348 8.877 -1.920 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.528 9.913 -2.240 1.00 0.00 C ATOM 0 H PHE A 14 -1.860 5.148 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 14 0.665 6.075 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.731 5.227 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.911 5.838 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.294 8.157 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.502 6.724 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.419 10.499 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.377 9.065 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.906 10.925 -2.226 1.00 0.00 H new ATOM 241 N VAL A 15 0.664 3.006 -3.211 1.00 0.00 N ATOM 242 CA VAL A 15 1.470 1.804 -3.078 1.00 0.00 C ATOM 243 C VAL A 15 1.737 1.219 -4.466 1.00 0.00 C ATOM 244 O VAL A 15 2.734 0.528 -4.670 1.00 0.00 O ATOM 245 CB VAL A 15 0.784 0.816 -2.132 1.00 0.00 C ATOM 246 CG1 VAL A 15 0.545 1.446 -0.759 1.00 0.00 C ATOM 247 CG2 VAL A 15 -0.524 0.300 -2.735 1.00 0.00 C ATOM 0 H VAL A 15 -0.321 2.887 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 15 2.437 2.039 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 15 1.450 -0.036 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.056 0.722 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.499 1.741 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.091 2.324 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.992 -0.400 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.198 1.138 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.315 -0.206 -3.678 1.00 0.00 H new ATOM 257 N ALA A 16 0.829 1.516 -5.383 1.00 0.00 N ATOM 258 CA ALA A 16 0.953 1.027 -6.746 1.00 0.00 C ATOM 259 C ALA A 16 2.079 1.783 -7.453 1.00 0.00 C ATOM 260 O ALA A 16 2.874 1.184 -8.176 1.00 0.00 O ATOM 261 CB ALA A 16 -0.390 1.173 -7.465 1.00 0.00 C ATOM 0 H ALA A 16 0.004 2.090 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 16 1.212 -0.032 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.297 0.806 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.149 0.594 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.682 2.223 -7.481 1.00 0.00 H new ATOM 267 N MET A 17 2.111 3.087 -7.219 1.00 0.00 N ATOM 268 CA MET A 17 3.127 3.930 -7.825 1.00 0.00 C ATOM 269 C MET A 17 4.505 3.651 -7.219 1.00 0.00 C ATOM 270 O MET A 17 5.506 3.620 -7.934 1.00 0.00 O ATOM 271 CB MET A 17 2.764 5.401 -7.610 1.00 0.00 C ATOM 272 CG MET A 17 2.947 6.204 -8.900 1.00 0.00 C ATOM 273 SD MET A 17 2.810 7.950 -8.556 1.00 0.00 S ATOM 274 CE MET A 17 1.439 8.369 -9.620 1.00 0.00 C ATOM 0 H MET A 17 1.450 3.580 -6.618 1.00 0.00 H new ATOM 0 HA MET A 17 3.168 3.708 -8.891 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.731 5.479 -7.272 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.389 5.823 -6.823 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.921 5.987 -9.338 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.195 5.909 -9.632 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.219 9.433 -9.528 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.698 8.140 -10.654 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.562 7.790 -9.329 1.00 0.00 H new ATOM 284 N TRP A 18 4.511 3.453 -5.909 1.00 0.00 N ATOM 285 CA TRP A 18 5.749 3.177 -5.200 1.00 0.00 C ATOM 286 C TRP A 18 6.214 1.773 -5.589 1.00 0.00 C ATOM 287 O TRP A 18 7.398 1.457 -5.488 1.00 0.00 O ATOM 288 CB TRP A 18 5.566 3.349 -3.691 1.00 0.00 C ATOM 289 CG TRP A 18 6.471 2.449 -2.847 1.00 0.00 C ATOM 290 CD1 TRP A 18 7.769 2.176 -3.035 1.00 0.00 C ATOM 291 CD2 TRP A 18 6.090 1.709 -1.668 1.00 0.00 C ATOM 292 NE1 TRP A 18 8.251 1.319 -2.067 1.00 0.00 N ATOM 293 CE2 TRP A 18 7.196 1.026 -1.210 1.00 0.00 C ATOM 294 CE3 TRP A 18 4.849 1.620 -1.012 1.00 0.00 C ATOM 295 CZ2 TRP A 18 7.176 0.205 -0.075 1.00 0.00 C ATOM 296 CZ3 TRP A 18 4.845 0.796 0.120 1.00 0.00 C ATOM 297 CH2 TRP A 18 5.951 0.101 0.596 1.00 0.00 C ATOM 0 H TRP A 18 3.679 3.478 -5.320 1.00 0.00 H new ATOM 0 HA TRP A 18 6.523 3.891 -5.483 1.00 0.00 H new ATOM 0 HB2 TRP A 18 5.759 4.389 -3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.526 3.143 -3.436 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.364 2.576 -3.843 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.205 0.966 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.970 2.145 -1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.057 -0.319 0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.917 0.693 0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.866 -0.516 1.478 1.00 0.00 H new ATOM 308 N SER A 19 5.258 0.968 -6.028 1.00 0.00 N ATOM 309 CA SER A 19 5.554 -0.396 -6.434 1.00 0.00 C ATOM 310 C SER A 19 5.772 -0.456 -7.947 1.00 0.00 C ATOM 311 O SER A 19 6.393 -1.390 -8.451 1.00 0.00 O ATOM 312 CB SER A 19 4.432 -1.350 -6.020 1.00 0.00 C ATOM 313 OG SER A 19 4.455 -1.629 -4.623 1.00 0.00 O ATOM 0 H SER A 19 4.277 1.234 -6.112 1.00 0.00 H new ATOM 0 HA SER A 19 6.467 -0.713 -5.930 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.469 -0.914 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.525 -2.282 -6.577 1.00 0.00 H new ATOM 0 HG SER A 19 3.879 -0.991 -4.152 1.00 0.00 H new ATOM 319 N ASP A 20 5.249 0.553 -8.628 1.00 0.00 N ATOM 320 CA ASP A 20 5.379 0.626 -10.073 1.00 0.00 C ATOM 321 C ASP A 20 6.695 1.319 -10.429 1.00 0.00 C ATOM 322 O ASP A 20 7.387 0.909 -11.359 1.00 0.00 O ATOM 323 CB ASP A 20 4.236 1.437 -10.689 1.00 0.00 C ATOM 324 CG ASP A 20 2.952 0.648 -10.950 1.00 0.00 C ATOM 325 OD1 ASP A 20 2.666 -0.352 -10.274 1.00 0.00 O ATOM 326 OD2 ASP A 20 2.218 1.105 -11.908 1.00 0.00 O ATOM 0 H ASP A 20 4.735 1.326 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 20 5.352 -0.391 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.004 2.271 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.580 1.864 -11.631 1.00 0.00 H new ATOM 332 N VAL A 21 7.003 2.360 -9.667 1.00 0.00 N ATOM 333 CA VAL A 21 8.225 3.114 -9.891 1.00 0.00 C ATOM 334 C VAL A 21 9.370 2.145 -10.193 1.00 0.00 C ATOM 335 O VAL A 21 10.107 2.333 -11.159 1.00 0.00 O ATOM 336 CB VAL A 21 8.507 4.018 -8.689 1.00 0.00 C ATOM 337 CG1 VAL A 21 7.517 5.183 -8.633 1.00 0.00 C ATOM 338 CG2 VAL A 21 8.488 3.219 -7.384 1.00 0.00 C ATOM 0 H VAL A 21 6.428 2.698 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 21 8.118 3.768 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 21 9.507 4.434 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.740 5.809 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.602 5.777 -9.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.502 4.794 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.691 3.886 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.508 2.760 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.251 2.441 -7.422 1.00 0.00 H new ATOM 348 N GLY A 22 9.483 1.131 -9.347 1.00 0.00 N ATOM 349 CA GLY A 22 10.525 0.133 -9.512 1.00 0.00 C ATOM 350 C GLY A 22 11.910 0.783 -9.528 1.00 0.00 C ATOM 351 O GLY A 22 12.706 0.536 -10.433 1.00 0.00 O ATOM 0 H GLY A 22 8.870 0.980 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.470 -0.593 -8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.365 -0.414 -10.441 1.00 0.00 H new ATOM 355 N LEU A 23 12.156 1.602 -8.515 1.00 0.00 N ATOM 356 CA LEU A 23 13.430 2.290 -8.401 1.00 0.00 C ATOM 357 C LEU A 23 13.678 3.110 -9.669 1.00 0.00 C ATOM 358 O LEU A 23 14.541 2.767 -10.475 1.00 0.00 O ATOM 359 CB LEU A 23 14.549 1.296 -8.083 1.00 0.00 C ATOM 360 CG LEU A 23 15.418 1.631 -6.869 1.00 0.00 C ATOM 361 CD1 LEU A 23 14.632 1.457 -5.568 1.00 0.00 C ATOM 362 CD2 LEU A 23 16.707 0.807 -6.875 1.00 0.00 C ATOM 0 H LEU A 23 11.494 1.804 -7.766 1.00 0.00 H new ATOM 0 HA LEU A 23 13.411 2.991 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.102 0.314 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 23 15.196 1.215 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 23 15.706 2.680 -6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.272 1.701 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.768 2.121 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.295 0.424 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.307 1.064 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.460 -0.254 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.273 1.024 -7.781 1.00 0.00 H new ATOM 374 N CYS A 24 12.905 4.178 -9.805 1.00 0.00 N ATOM 375 CA CYS A 24 13.030 5.049 -10.961 1.00 0.00 C ATOM 376 C CYS A 24 14.472 5.558 -11.026 1.00 0.00 C ATOM 377 O CYS A 24 14.941 5.970 -12.086 1.00 0.00 O ATOM 378 CB CYS A 24 12.021 6.198 -10.915 1.00 0.00 C ATOM 379 SG CYS A 24 11.786 6.893 -12.591 1.00 0.00 S ATOM 0 H CYS A 24 12.190 4.459 -9.134 1.00 0.00 H new ATOM 0 HA CYS A 24 12.802 4.489 -11.868 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.068 5.841 -10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.373 6.975 -10.236 1.00 0.00 H new ATOM 0 HG CYS A 24 10.926 7.866 -12.540 1.00 0.00 H new ATOM 385 N LYS A 25 15.134 5.511 -9.879 1.00 0.00 N ATOM 386 CA LYS A 25 16.512 5.962 -9.793 1.00 0.00 C ATOM 387 C LYS A 25 17.422 4.946 -10.487 1.00 0.00 C ATOM 388 O LYS A 25 18.562 5.258 -10.827 1.00 0.00 O ATOM 389 CB LYS A 25 16.896 6.237 -8.337 1.00 0.00 C ATOM 390 CG LYS A 25 17.647 7.563 -8.209 1.00 0.00 C ATOM 391 CD LYS A 25 17.980 7.866 -6.746 1.00 0.00 C ATOM 392 CE LYS A 25 19.345 8.546 -6.624 1.00 0.00 C ATOM 393 NZ LYS A 25 19.767 8.610 -5.207 1.00 0.00 N ATOM 0 H LYS A 25 14.742 5.168 -9.002 1.00 0.00 H new ATOM 0 HA LYS A 25 16.635 6.910 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.998 6.262 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.519 5.425 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.566 7.523 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.041 8.369 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.210 8.509 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.978 6.941 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.085 7.996 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.295 9.552 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.695 9.074 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.069 9.154 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.834 7.647 -4.821 1.00 0.00 H new ATOM 406 N LYS A 26 16.881 3.751 -10.678 1.00 0.00 N ATOM 407 CA LYS A 26 17.630 2.687 -11.326 1.00 0.00 C ATOM 408 C LYS A 26 17.160 2.549 -12.776 1.00 0.00 C ATOM 409 O LYS A 26 16.797 1.458 -13.213 1.00 0.00 O ATOM 410 CB LYS A 26 17.525 1.391 -10.520 1.00 0.00 C ATOM 411 CG LYS A 26 18.628 0.408 -10.917 1.00 0.00 C ATOM 412 CD LYS A 26 18.050 -0.980 -11.199 1.00 0.00 C ATOM 413 CE LYS A 26 19.016 -2.078 -10.747 1.00 0.00 C ATOM 414 NZ LYS A 26 18.887 -3.271 -11.614 1.00 0.00 N ATOM 0 H LYS A 26 15.934 3.496 -10.396 1.00 0.00 H new ATOM 0 HA LYS A 26 18.692 2.932 -11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.597 1.614 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.549 0.934 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.147 0.776 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 26 19.367 0.343 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.097 -1.093 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.848 -1.084 -12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.040 -1.706 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.809 -2.349 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.549 -4.006 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.914 -3.635 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.107 -3.011 -12.597 1.00 0.00 H new ATOM 427 N ARG A 27 17.184 3.670 -13.481 1.00 0.00 N ATOM 428 CA ARG A 27 16.765 3.689 -14.872 1.00 0.00 C ATOM 429 C ARG A 27 15.285 3.323 -14.986 1.00 0.00 C ATOM 430 O ARG A 27 14.871 2.251 -14.546 1.00 0.00 O ATOM 431 CB ARG A 27 17.592 2.709 -15.709 1.00 0.00 C ATOM 432 CG ARG A 27 19.077 3.078 -15.677 1.00 0.00 C ATOM 433 CD ARG A 27 19.435 4.009 -16.837 1.00 0.00 C ATOM 434 NE ARG A 27 20.904 4.160 -16.929 1.00 0.00 N ATOM 435 CZ ARG A 27 21.738 3.196 -17.376 1.00 0.00 C ATOM 436 NH1 ARG A 27 21.252 2.002 -17.777 1.00 0.00 N ATOM 437 NH2 ARG A 27 23.034 3.439 -17.416 1.00 0.00 N ATOM 0 H ARG A 27 17.487 4.572 -13.115 1.00 0.00 H new ATOM 0 HA ARG A 27 16.923 4.698 -15.252 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.457 1.696 -15.329 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.235 2.713 -16.739 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.315 3.563 -14.730 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.682 2.173 -15.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.043 3.607 -17.771 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.969 4.983 -16.689 1.00 0.00 H new ATOM 0 HE ARG A 27 21.313 5.048 -16.637 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.248 1.823 -17.744 1.00 0.00 H new ATOM 0 HH12 ARG A 27 21.888 1.279 -18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.393 4.344 -17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.677 2.722 -17.751 1.00 0.00 H new ATOM 450 N PRO A 28 14.506 4.257 -15.593 1.00 0.00 N ATOM 451 CA PRO A 28 13.080 4.043 -15.770 1.00 0.00 C ATOM 452 C PRO A 28 12.811 3.039 -16.894 1.00 0.00 C ATOM 453 O PRO A 28 13.742 2.455 -17.445 1.00 0.00 O ATOM 454 CB PRO A 28 12.507 5.422 -16.058 1.00 0.00 C ATOM 455 CG PRO A 28 13.685 6.280 -16.489 1.00 0.00 C ATOM 456 CD PRO A 28 14.961 5.538 -16.127 1.00 0.00 C ATOM 0 HA PRO A 28 12.609 3.606 -14.890 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.751 5.375 -16.841 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.024 5.837 -15.173 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.646 6.471 -17.561 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.653 7.249 -15.992 1.00 0.00 H new ATOM 0 HD2 PRO A 28 15.599 5.399 -16.999 1.00 0.00 H new ATOM 0 HD3 PRO A 28 15.544 6.090 -15.390 1.00 0.00 H new ATOM 464 N LYS A 29 11.533 2.869 -17.198 1.00 0.00 N ATOM 465 CA LYS A 29 11.130 1.946 -18.246 1.00 0.00 C ATOM 466 C LYS A 29 12.074 2.093 -19.441 1.00 0.00 C ATOM 467 O LYS A 29 12.717 3.129 -19.604 1.00 0.00 O ATOM 468 CB LYS A 29 9.655 2.146 -18.599 1.00 0.00 C ATOM 469 CG LYS A 29 8.757 1.276 -17.717 1.00 0.00 C ATOM 470 CD LYS A 29 7.412 1.011 -18.397 1.00 0.00 C ATOM 471 CE LYS A 29 6.556 2.279 -18.430 1.00 0.00 C ATOM 472 NZ LYS A 29 5.848 2.392 -19.725 1.00 0.00 N ATOM 0 H LYS A 29 10.763 3.354 -16.737 1.00 0.00 H new ATOM 0 HA LYS A 29 11.214 0.916 -17.899 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.387 3.195 -18.474 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.491 1.898 -19.648 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.255 0.329 -17.507 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.593 1.770 -16.759 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.578 0.653 -19.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.880 0.222 -17.865 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.833 2.259 -17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.186 3.155 -18.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.272 3.258 -19.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.543 2.433 -20.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.232 1.565 -19.857 1.00 0.00 H new ATOM 485 N PRO A 30 12.129 1.014 -20.267 1.00 0.00 N ATOM 486 CA PRO A 30 12.983 1.014 -21.442 1.00 0.00 C ATOM 487 C PRO A 30 12.386 1.879 -22.554 1.00 0.00 C ATOM 488 O PRO A 30 11.759 2.902 -22.282 1.00 0.00 O ATOM 489 CB PRO A 30 13.114 -0.449 -21.832 1.00 0.00 C ATOM 490 CG PRO A 30 11.962 -1.168 -21.150 1.00 0.00 C ATOM 491 CD PRO A 30 11.381 -0.229 -20.105 1.00 0.00 C ATOM 0 HA PRO A 30 13.963 1.451 -21.250 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.064 -0.570 -22.914 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.073 -0.855 -21.510 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.201 -1.446 -21.879 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.310 -2.090 -20.684 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.314 -0.072 -20.263 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.499 -0.634 -19.100 1.00 0.00 H new TER 499 PRO A 30