USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 364 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 163:sc= 0 (180deg=-0.413) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.0833 (180deg=-0.74) USER MOD Single : A 15 SER OG : rot 17:sc= -0.209 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.229) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00349) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -167:sc= -0.096 (180deg=-0.484) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.054 -13.626 -14.082 1.00 0.00 N ATOM 2 CA MET A 1 18.653 -13.507 -15.511 1.00 0.00 C ATOM 3 C MET A 1 19.693 -12.681 -16.260 1.00 0.00 C ATOM 4 O MET A 1 20.817 -13.132 -16.478 1.00 0.00 O ATOM 5 CB MET A 1 17.282 -12.833 -15.601 1.00 0.00 C ATOM 6 CG MET A 1 16.229 -13.740 -14.960 1.00 0.00 C ATOM 7 SD MET A 1 15.146 -12.750 -13.900 1.00 0.00 S ATOM 8 CE MET A 1 14.461 -11.693 -15.198 1.00 0.00 C ATOM 0 H1 MET A 1 18.793 -14.567 -13.725 1.00 0.00 H new ATOM 0 H2 MET A 1 20.083 -13.497 -13.998 1.00 0.00 H new ATOM 0 H3 MET A 1 18.567 -12.897 -13.523 1.00 0.00 H new ATOM 0 HA MET A 1 18.592 -14.498 -15.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.304 -11.868 -15.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.027 -12.640 -16.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.643 -14.238 -15.733 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.714 -14.521 -14.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.555 -11.209 -14.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.193 -10.934 -15.473 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.221 -12.299 -16.072 1.00 0.00 H new ATOM 18 N GLY A 2 19.313 -11.470 -16.653 1.00 0.00 N ATOM 19 CA GLY A 2 20.227 -10.594 -17.376 1.00 0.00 C ATOM 20 C GLY A 2 19.619 -9.211 -17.578 1.00 0.00 C ATOM 21 O GLY A 2 18.942 -8.960 -18.573 1.00 0.00 O ATOM 0 H GLY A 2 18.387 -11.076 -16.485 1.00 0.00 H new ATOM 0 HA2 GLY A 2 21.163 -10.506 -16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 2 20.467 -11.034 -18.344 1.00 0.00 H new ATOM 25 N LEU A 3 19.870 -8.316 -16.628 1.00 0.00 N ATOM 26 CA LEU A 3 19.344 -6.958 -16.717 1.00 0.00 C ATOM 27 C LEU A 3 20.123 -6.161 -17.765 1.00 0.00 C ATOM 28 O LEU A 3 21.302 -6.428 -17.993 1.00 0.00 O ATOM 29 CB LEU A 3 19.455 -6.262 -15.359 1.00 0.00 C ATOM 30 CG LEU A 3 18.102 -6.310 -14.646 1.00 0.00 C ATOM 31 CD1 LEU A 3 17.671 -7.767 -14.466 1.00 0.00 C ATOM 32 CD2 LEU A 3 18.224 -5.643 -13.273 1.00 0.00 C ATOM 0 H LEU A 3 20.429 -8.503 -15.795 1.00 0.00 H new ATOM 0 HA LEU A 3 18.295 -7.008 -17.010 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.216 -6.750 -14.750 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.770 -5.227 -15.494 1.00 0.00 H new ATOM 0 HG LEU A 3 17.359 -5.781 -15.243 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.707 -7.801 -13.958 1.00 0.00 H new ATOM 0 HD12 LEU A 3 17.584 -8.244 -15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.415 -8.295 -13.869 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.260 -5.677 -12.765 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.968 -6.172 -12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.531 -4.605 -13.399 1.00 0.00 H new ATOM 43 N PRO A 4 19.502 -5.197 -18.404 1.00 0.00 N ATOM 44 CA PRO A 4 20.179 -4.371 -19.437 1.00 0.00 C ATOM 45 C PRO A 4 21.625 -4.054 -19.066 1.00 0.00 C ATOM 46 O PRO A 4 22.445 -3.754 -19.933 1.00 0.00 O ATOM 47 CB PRO A 4 19.333 -3.099 -19.484 1.00 0.00 C ATOM 48 CG PRO A 4 17.960 -3.514 -19.068 1.00 0.00 C ATOM 49 CD PRO A 4 18.101 -4.784 -18.218 1.00 0.00 C ATOM 0 HA PRO A 4 20.244 -4.883 -20.397 1.00 0.00 H new ATOM 0 HB2 PRO A 4 19.732 -2.338 -18.814 1.00 0.00 H new ATOM 0 HB3 PRO A 4 19.326 -2.670 -20.486 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.476 -2.722 -18.497 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.336 -3.704 -19.941 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.881 -4.586 -17.169 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.411 -5.561 -18.547 1.00 0.00 H new ATOM 54 N GLY A 5 21.925 -4.093 -17.769 1.00 0.00 N ATOM 55 CA GLY A 5 23.264 -3.777 -17.283 1.00 0.00 C ATOM 56 C GLY A 5 23.355 -2.296 -16.927 1.00 0.00 C ATOM 57 O GLY A 5 24.268 -1.867 -16.221 1.00 0.00 O ATOM 0 H GLY A 5 21.259 -4.340 -17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.495 -4.384 -16.408 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.004 -4.022 -18.045 1.00 0.00 H new ATOM 61 N ARG A 6 22.377 -1.534 -17.401 1.00 0.00 N ATOM 62 CA ARG A 6 22.311 -0.102 -17.122 1.00 0.00 C ATOM 63 C ARG A 6 20.865 0.280 -16.829 1.00 0.00 C ATOM 64 O ARG A 6 19.955 -0.210 -17.494 1.00 0.00 O ATOM 65 CB ARG A 6 22.806 0.703 -18.333 1.00 0.00 C ATOM 66 CG ARG A 6 24.016 1.567 -17.949 1.00 0.00 C ATOM 67 CD ARG A 6 25.259 0.685 -17.800 1.00 0.00 C ATOM 68 NE ARG A 6 25.907 0.933 -16.518 1.00 0.00 N ATOM 69 CZ ARG A 6 26.817 0.088 -16.041 1.00 0.00 C ATOM 70 NH1 ARG A 6 27.127 -0.986 -16.716 1.00 0.00 N ATOM 71 NH2 ARG A 6 27.399 0.332 -14.899 1.00 0.00 N ATOM 0 H ARG A 6 21.616 -1.884 -17.983 1.00 0.00 H new ATOM 0 HA ARG A 6 22.945 0.122 -16.264 1.00 0.00 H new ATOM 0 HB2 ARG A 6 23.079 0.024 -19.141 1.00 0.00 H new ATOM 0 HB3 ARG A 6 22.003 1.338 -18.707 1.00 0.00 H new ATOM 0 HG2 ARG A 6 24.188 2.327 -18.711 1.00 0.00 H new ATOM 0 HG3 ARG A 6 23.817 2.092 -17.015 1.00 0.00 H new ATOM 0 HD2 ARG A 6 24.979 -0.366 -17.876 1.00 0.00 H new ATOM 0 HD3 ARG A 6 25.956 0.888 -18.613 1.00 0.00 H new ATOM 0 HE ARG A 6 25.660 1.764 -15.981 1.00 0.00 H new ATOM 0 HH11 ARG A 6 26.671 -1.177 -17.609 1.00 0.00 H new ATOM 0 HH12 ARG A 6 27.825 -1.634 -16.351 1.00 0.00 H new ATOM 0 HH21 ARG A 6 27.156 1.171 -14.372 1.00 0.00 H new ATOM 0 HH22 ARG A 6 28.097 -0.316 -14.533 1.00 0.00 H new ATOM 82 N VAL A 7 20.648 1.135 -15.830 1.00 0.00 N ATOM 83 CA VAL A 7 19.290 1.544 -15.477 1.00 0.00 C ATOM 84 C VAL A 7 19.002 2.971 -15.969 1.00 0.00 C ATOM 85 O VAL A 7 19.333 3.936 -15.278 1.00 0.00 O ATOM 86 CB VAL A 7 19.126 1.501 -13.955 1.00 0.00 C ATOM 87 CG1 VAL A 7 19.044 0.045 -13.493 1.00 0.00 C ATOM 88 CG2 VAL A 7 20.326 2.178 -13.287 1.00 0.00 C ATOM 0 H VAL A 7 21.383 1.552 -15.259 1.00 0.00 H new ATOM 0 HA VAL A 7 18.589 0.859 -15.954 1.00 0.00 H new ATOM 0 HB VAL A 7 18.213 2.026 -13.676 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.927 0.013 -12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.189 -0.439 -13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.958 -0.478 -13.775 1.00 0.00 H new ATOM 0 HG21 VAL A 7 20.206 2.146 -12.204 1.00 0.00 H new ATOM 0 HG22 VAL A 7 21.241 1.655 -13.566 1.00 0.00 H new ATOM 0 HG23 VAL A 7 20.387 3.216 -13.614 1.00 0.00 H new ATOM 98 N PRO A 8 18.402 3.145 -17.132 1.00 0.00 N ATOM 99 CA PRO A 8 18.098 4.506 -17.662 1.00 0.00 C ATOM 100 C PRO A 8 16.995 5.205 -16.870 1.00 0.00 C ATOM 101 O PRO A 8 16.115 4.557 -16.305 1.00 0.00 O ATOM 102 CB PRO A 8 17.675 4.268 -19.111 1.00 0.00 C ATOM 103 CG PRO A 8 17.240 2.846 -19.188 1.00 0.00 C ATOM 104 CD PRO A 8 17.945 2.090 -18.062 1.00 0.00 C ATOM 0 HA PRO A 8 18.960 5.168 -17.581 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.864 4.939 -19.395 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.502 4.460 -19.795 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.158 2.770 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.497 2.418 -20.157 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.268 1.393 -17.568 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.783 1.506 -18.441 1.00 0.00 H new ATOM 109 N LEU A 9 17.051 6.532 -16.840 1.00 0.00 N ATOM 110 CA LEU A 9 16.056 7.319 -16.122 1.00 0.00 C ATOM 111 C LEU A 9 14.660 6.777 -16.391 1.00 0.00 C ATOM 112 O LEU A 9 13.756 6.918 -15.567 1.00 0.00 O ATOM 113 CB LEU A 9 16.115 8.773 -16.576 1.00 0.00 C ATOM 114 CG LEU A 9 17.542 9.300 -16.433 1.00 0.00 C ATOM 115 CD1 LEU A 9 18.162 9.473 -17.820 1.00 0.00 C ATOM 116 CD2 LEU A 9 17.517 10.653 -15.716 1.00 0.00 C ATOM 0 H LEU A 9 17.773 7.084 -17.303 1.00 0.00 H new ATOM 0 HA LEU A 9 16.272 7.255 -15.056 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.790 8.854 -17.613 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.432 9.378 -15.980 1.00 0.00 H new ATOM 0 HG LEU A 9 18.134 8.591 -15.854 1.00 0.00 H new ATOM 0 HD11 LEU A 9 19.180 9.849 -17.719 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.179 8.512 -18.333 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.569 10.182 -18.398 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.535 11.029 -15.614 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.925 11.361 -16.296 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.074 10.533 -14.728 1.00 0.00 H new ATOM 127 N TRP A 10 14.495 6.161 -17.551 1.00 0.00 N ATOM 128 CA TRP A 10 13.207 5.601 -17.930 1.00 0.00 C ATOM 129 C TRP A 10 12.708 4.688 -16.820 1.00 0.00 C ATOM 130 O TRP A 10 11.532 4.714 -16.454 1.00 0.00 O ATOM 131 CB TRP A 10 13.381 4.771 -19.202 1.00 0.00 C ATOM 132 CG TRP A 10 12.670 5.397 -20.359 1.00 0.00 C ATOM 133 CD1 TRP A 10 11.375 5.786 -20.373 1.00 0.00 C ATOM 134 CD2 TRP A 10 13.197 5.686 -21.688 1.00 0.00 C ATOM 135 NE1 TRP A 10 11.074 6.294 -21.624 1.00 0.00 N ATOM 136 CE2 TRP A 10 12.165 6.254 -22.468 1.00 0.00 C ATOM 137 CE3 TRP A 10 14.460 5.511 -22.283 1.00 0.00 C ATOM 138 CZ2 TRP A 10 12.376 6.635 -23.794 1.00 0.00 C ATOM 139 CZ3 TRP A 10 14.676 5.895 -23.616 1.00 0.00 C ATOM 140 CH2 TRP A 10 13.636 6.456 -24.370 1.00 0.00 C ATOM 0 H TRP A 10 15.233 6.036 -18.244 1.00 0.00 H new ATOM 0 HA TRP A 10 12.493 6.407 -18.098 1.00 0.00 H new ATOM 0 HB2 TRP A 10 14.442 4.674 -19.433 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.997 3.764 -19.038 1.00 0.00 H new ATOM 0 HD1 TRP A 10 10.688 5.712 -19.543 1.00 0.00 H new ATOM 0 HE1 TRP A 10 10.158 6.654 -21.890 1.00 0.00 H new ATOM 0 HE3 TRP A 10 15.268 5.079 -21.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 11.571 7.065 -24.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 15.649 5.757 -24.063 1.00 0.00 H new ATOM 0 HH2 TRP A 10 13.809 6.749 -25.395 1.00 0.00 H new ATOM 150 N VAL A 11 13.616 3.876 -16.300 1.00 0.00 N ATOM 151 CA VAL A 11 13.278 2.936 -15.234 1.00 0.00 C ATOM 152 C VAL A 11 12.680 3.663 -14.034 1.00 0.00 C ATOM 153 O VAL A 11 11.753 3.166 -13.393 1.00 0.00 O ATOM 154 CB VAL A 11 14.526 2.170 -14.792 1.00 0.00 C ATOM 155 CG1 VAL A 11 14.290 1.563 -13.409 1.00 0.00 C ATOM 156 CG2 VAL A 11 14.818 1.048 -15.792 1.00 0.00 C ATOM 0 H VAL A 11 14.592 3.846 -16.596 1.00 0.00 H new ATOM 0 HA VAL A 11 12.538 2.237 -15.625 1.00 0.00 H new ATOM 0 HB VAL A 11 15.374 2.854 -14.751 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.180 1.017 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 11 14.080 2.358 -12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.442 0.880 -13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.707 0.502 -15.477 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.969 0.366 -15.832 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.986 1.476 -16.780 1.00 0.00 H new ATOM 166 N ILE A 12 13.222 4.836 -13.725 1.00 0.00 N ATOM 167 CA ILE A 12 12.739 5.615 -12.587 1.00 0.00 C ATOM 168 C ILE A 12 11.237 5.871 -12.692 1.00 0.00 C ATOM 169 O ILE A 12 10.501 5.708 -11.720 1.00 0.00 O ATOM 170 CB ILE A 12 13.483 6.947 -12.505 1.00 0.00 C ATOM 171 CG1 ILE A 12 14.990 6.685 -12.503 1.00 0.00 C ATOM 172 CG2 ILE A 12 13.086 7.665 -11.211 1.00 0.00 C ATOM 173 CD1 ILE A 12 15.744 8.013 -12.595 1.00 0.00 C ATOM 0 H ILE A 12 13.989 5.267 -14.241 1.00 0.00 H new ATOM 0 HA ILE A 12 12.928 5.038 -11.682 1.00 0.00 H new ATOM 0 HB ILE A 12 13.224 7.569 -13.362 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.276 6.156 -11.594 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.259 6.044 -13.343 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.614 8.617 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.011 7.845 -11.210 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.351 7.045 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.817 7.823 -12.593 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.468 8.525 -13.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.485 8.638 -11.741 1.00 0.00 H new ATOM 184 N LEU A 13 10.790 6.280 -13.869 1.00 0.00 N ATOM 185 CA LEU A 13 9.373 6.561 -14.074 1.00 0.00 C ATOM 186 C LEU A 13 8.550 5.371 -13.617 1.00 0.00 C ATOM 187 O LEU A 13 7.578 5.517 -12.876 1.00 0.00 O ATOM 188 CB LEU A 13 9.098 6.835 -15.554 1.00 0.00 C ATOM 189 CG LEU A 13 9.263 8.329 -15.841 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.668 8.525 -17.301 1.00 0.00 C ATOM 191 CD2 LEU A 13 7.935 9.044 -15.578 1.00 0.00 C ATOM 0 H LEU A 13 11.378 6.424 -14.690 1.00 0.00 H new ATOM 0 HA LEU A 13 9.098 7.442 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.784 6.258 -16.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.089 6.515 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 13 10.035 8.743 -15.193 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.786 9.589 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.612 8.013 -17.489 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.896 8.113 -17.951 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.049 10.109 -15.781 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.164 8.631 -16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.646 8.902 -14.537 1.00 0.00 H new ATOM 202 N LEU A 14 8.958 4.189 -14.055 1.00 0.00 N ATOM 203 CA LEU A 14 8.271 2.967 -13.682 1.00 0.00 C ATOM 204 C LEU A 14 8.540 2.651 -12.216 1.00 0.00 C ATOM 205 O LEU A 14 7.710 2.058 -11.531 1.00 0.00 O ATOM 206 CB LEU A 14 8.753 1.807 -14.556 1.00 0.00 C ATOM 207 CG LEU A 14 7.891 0.573 -14.283 1.00 0.00 C ATOM 208 CD1 LEU A 14 7.099 0.218 -15.542 1.00 0.00 C ATOM 209 CD2 LEU A 14 8.791 -0.603 -13.899 1.00 0.00 C ATOM 0 H LEU A 14 9.761 4.053 -14.669 1.00 0.00 H new ATOM 0 HA LEU A 14 7.200 3.104 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.692 2.081 -15.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.799 1.588 -14.344 1.00 0.00 H new ATOM 0 HG LEU A 14 7.201 0.784 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.484 -0.661 -15.349 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.458 1.056 -15.817 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.789 0.006 -16.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.177 -1.482 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.481 -0.815 -14.716 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.357 -0.350 -13.003 1.00 0.00 H new ATOM 220 N SER A 15 9.723 3.027 -11.750 1.00 0.00 N ATOM 221 CA SER A 15 10.087 2.747 -10.368 1.00 0.00 C ATOM 222 C SER A 15 9.045 3.349 -9.443 1.00 0.00 C ATOM 223 O SER A 15 8.462 2.650 -8.615 1.00 0.00 O ATOM 224 CB SER A 15 11.466 3.319 -10.044 1.00 0.00 C ATOM 225 OG SER A 15 12.392 2.890 -11.034 1.00 0.00 O ATOM 0 H SER A 15 10.433 3.516 -12.295 1.00 0.00 H new ATOM 0 HA SER A 15 10.125 1.667 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.424 4.408 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.789 2.986 -9.058 1.00 0.00 H new ATOM 0 HG SER A 15 11.904 2.568 -11.820 1.00 0.00 H new ATOM 230 N ALA A 16 8.798 4.647 -9.588 1.00 0.00 N ATOM 231 CA ALA A 16 7.809 5.315 -8.760 1.00 0.00 C ATOM 232 C ALA A 16 6.427 4.730 -9.022 1.00 0.00 C ATOM 233 O ALA A 16 5.581 4.691 -8.131 1.00 0.00 O ATOM 234 CB ALA A 16 7.798 6.813 -9.070 1.00 0.00 C ATOM 0 H ALA A 16 9.266 5.250 -10.265 1.00 0.00 H new ATOM 0 HA ALA A 16 8.068 5.165 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.054 7.308 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.782 7.234 -8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.550 6.965 -10.120 1.00 0.00 H new ATOM 240 N PHE A 17 6.211 4.268 -10.252 1.00 0.00 N ATOM 241 CA PHE A 17 4.922 3.679 -10.610 1.00 0.00 C ATOM 242 C PHE A 17 4.684 2.428 -9.780 1.00 0.00 C ATOM 243 O PHE A 17 3.577 2.193 -9.293 1.00 0.00 O ATOM 244 CB PHE A 17 4.887 3.325 -12.096 1.00 0.00 C ATOM 245 CG PHE A 17 3.500 2.872 -12.485 1.00 0.00 C ATOM 246 CD1 PHE A 17 2.552 3.804 -12.923 1.00 0.00 C ATOM 247 CD2 PHE A 17 3.170 1.513 -12.421 1.00 0.00 C ATOM 248 CE1 PHE A 17 1.272 3.377 -13.299 1.00 0.00 C ATOM 249 CE2 PHE A 17 1.890 1.087 -12.796 1.00 0.00 C ATOM 250 CZ PHE A 17 0.941 2.018 -13.235 1.00 0.00 C ATOM 0 H PHE A 17 6.898 4.289 -11.006 1.00 0.00 H new ATOM 0 HA PHE A 17 4.137 4.407 -10.407 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.176 4.191 -12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.609 2.536 -12.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.807 4.852 -12.971 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.902 0.794 -12.083 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.541 4.096 -13.638 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.634 0.039 -12.747 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.046 1.688 -13.524 1.00 0.00 H new ATOM 259 N ALA A 18 5.735 1.634 -9.608 1.00 0.00 N ATOM 260 CA ALA A 18 5.629 0.415 -8.816 1.00 0.00 C ATOM 261 C ALA A 18 5.555 0.771 -7.335 1.00 0.00 C ATOM 262 O ALA A 18 4.874 0.106 -6.556 1.00 0.00 O ATOM 263 CB ALA A 18 6.838 -0.487 -9.072 1.00 0.00 C ATOM 0 H ALA A 18 6.660 1.810 -10.001 1.00 0.00 H new ATOM 0 HA ALA A 18 4.724 -0.119 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.748 -1.394 -8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.878 -0.750 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.751 0.040 -8.795 1.00 0.00 H new ATOM 269 N GLY A 19 6.263 1.832 -6.962 1.00 0.00 N ATOM 270 CA GLY A 19 6.278 2.285 -5.576 1.00 0.00 C ATOM 271 C GLY A 19 4.915 2.837 -5.173 1.00 0.00 C ATOM 272 O GLY A 19 4.413 2.537 -4.093 1.00 0.00 O ATOM 0 H GLY A 19 6.832 2.392 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.548 1.457 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.039 3.054 -5.448 1.00 0.00 H new ATOM 276 N LEU A 20 4.325 3.642 -6.050 1.00 0.00 N ATOM 277 CA LEU A 20 3.015 4.238 -5.787 1.00 0.00 C ATOM 278 C LEU A 20 1.937 3.158 -5.689 1.00 0.00 C ATOM 279 O LEU A 20 0.971 3.291 -4.937 1.00 0.00 O ATOM 280 CB LEU A 20 2.652 5.216 -6.913 1.00 0.00 C ATOM 281 CG LEU A 20 2.853 6.662 -6.445 1.00 0.00 C ATOM 282 CD1 LEU A 20 1.826 7.008 -5.362 1.00 0.00 C ATOM 283 CD2 LEU A 20 4.267 6.826 -5.877 1.00 0.00 C ATOM 0 H LEU A 20 4.731 3.898 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 20 3.067 4.771 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.271 5.020 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.616 5.065 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 20 2.720 7.333 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.975 8.037 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.820 6.898 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.951 6.335 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.409 7.854 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.400 6.150 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.999 6.590 -6.649 1.00 0.00 H new ATOM 294 N LEU A 21 2.122 2.098 -6.458 1.00 0.00 N ATOM 295 CA LEU A 21 1.173 0.989 -6.465 1.00 0.00 C ATOM 296 C LEU A 21 1.329 0.148 -5.203 1.00 0.00 C ATOM 297 O LEU A 21 0.349 -0.195 -4.541 1.00 0.00 O ATOM 298 CB LEU A 21 1.398 0.114 -7.700 1.00 0.00 C ATOM 299 CG LEU A 21 0.126 0.082 -8.546 1.00 0.00 C ATOM 300 CD1 LEU A 21 0.384 -0.709 -9.829 1.00 0.00 C ATOM 301 CD2 LEU A 21 -0.998 -0.588 -7.751 1.00 0.00 C ATOM 0 H LEU A 21 2.917 1.979 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 21 0.163 1.397 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.228 0.505 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.670 -0.897 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.165 1.101 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.524 -0.731 -10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.184 -0.232 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.676 -1.728 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.906 -0.611 -8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.706 -1.607 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.184 -0.024 -6.837 1.00 0.00 H new ATOM 312 N LEU A 22 2.574 -0.171 -4.878 1.00 0.00 N ATOM 313 CA LEU A 22 2.881 -0.963 -3.696 1.00 0.00 C ATOM 314 C LEU A 22 2.731 -0.120 -2.435 1.00 0.00 C ATOM 315 O LEU A 22 2.352 -0.622 -1.377 1.00 0.00 O ATOM 316 CB LEU A 22 4.307 -1.514 -3.784 1.00 0.00 C ATOM 317 CG LEU A 22 4.391 -2.847 -3.035 1.00 0.00 C ATOM 318 CD1 LEU A 22 4.038 -3.992 -3.987 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.813 -3.046 -2.508 1.00 0.00 C ATOM 0 H LEU A 22 3.392 0.109 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 22 2.179 -1.795 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.590 -1.653 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.010 -0.800 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 22 3.690 -2.838 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.098 -4.941 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.025 -3.852 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.739 -4.000 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.874 -3.995 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.513 -3.054 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.067 -2.231 -1.830 1.00 0.00 H new ATOM 330 N LEU A 23 3.055 1.163 -2.556 1.00 0.00 N ATOM 331 CA LEU A 23 2.964 2.037 -1.390 1.00 0.00 C ATOM 332 C LEU A 23 1.593 1.837 -0.759 1.00 0.00 C ATOM 333 O LEU A 23 1.487 1.520 0.425 1.00 0.00 O ATOM 334 CB LEU A 23 3.140 3.505 -1.784 1.00 0.00 C ATOM 335 CG LEU A 23 4.613 3.901 -1.645 1.00 0.00 C ATOM 336 CD1 LEU A 23 4.899 5.120 -2.524 1.00 0.00 C ATOM 337 CD2 LEU A 23 4.916 4.247 -0.184 1.00 0.00 C ATOM 0 H LEU A 23 3.372 1.610 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 23 3.757 1.785 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.807 3.659 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.521 4.139 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 23 5.242 3.068 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.947 5.402 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.685 4.876 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.268 5.952 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.965 4.529 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.286 5.079 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.713 3.380 0.445 1.00 0.00 H new ATOM 348 N MET A 24 0.547 2.042 -1.546 1.00 0.00 N ATOM 349 CA MET A 24 -0.808 1.894 -1.030 1.00 0.00 C ATOM 350 C MET A 24 -0.948 0.563 -0.296 1.00 0.00 C ATOM 351 O MET A 24 -1.516 0.506 0.794 1.00 0.00 O ATOM 352 CB MET A 24 -1.822 1.961 -2.174 1.00 0.00 C ATOM 353 CG MET A 24 -3.115 2.606 -1.672 1.00 0.00 C ATOM 354 SD MET A 24 -2.855 4.384 -1.452 1.00 0.00 S ATOM 355 CE MET A 24 -4.579 4.828 -1.119 1.00 0.00 C ATOM 0 H MET A 24 0.606 2.307 -2.529 1.00 0.00 H new ATOM 0 HA MET A 24 -1.005 2.709 -0.334 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.413 2.538 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.026 0.959 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.922 2.431 -2.384 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.418 2.152 -0.728 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.652 5.902 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.197 4.552 -1.973 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.927 4.297 -0.233 1.00 0.00 H new ATOM 363 N LEU A 25 -0.420 -0.502 -0.889 1.00 0.00 N ATOM 364 CA LEU A 25 -0.488 -1.818 -0.266 1.00 0.00 C ATOM 365 C LEU A 25 0.089 -1.762 1.147 1.00 0.00 C ATOM 366 O LEU A 25 -0.498 -2.289 2.087 1.00 0.00 O ATOM 367 CB LEU A 25 0.298 -2.831 -1.103 1.00 0.00 C ATOM 368 CG LEU A 25 -0.394 -4.193 -1.044 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.541 -4.233 -2.057 1.00 0.00 C ATOM 370 CD2 LEU A 25 0.617 -5.290 -1.379 1.00 0.00 C ATOM 0 H LEU A 25 0.055 -0.481 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.532 -2.127 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.365 -2.490 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.318 -2.914 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.791 -4.354 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.032 -5.205 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.262 -3.451 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.146 -4.072 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.126 -6.262 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.013 -5.126 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.434 -5.265 -0.657 1.00 0.00 H new ATOM 381 N LEU A 26 1.254 -1.139 1.281 1.00 0.00 N ATOM 382 CA LEU A 26 1.909 -1.043 2.583 1.00 0.00 C ATOM 383 C LEU A 26 0.971 -0.402 3.603 1.00 0.00 C ATOM 384 O LEU A 26 0.952 -0.794 4.771 1.00 0.00 O ATOM 385 CB LEU A 26 3.191 -0.207 2.473 1.00 0.00 C ATOM 386 CG LEU A 26 4.423 -1.119 2.496 1.00 0.00 C ATOM 387 CD1 LEU A 26 4.563 -1.777 3.871 1.00 0.00 C ATOM 388 CD2 LEU A 26 4.277 -2.202 1.424 1.00 0.00 C ATOM 0 H LEU A 26 1.761 -0.697 0.514 1.00 0.00 H new ATOM 0 HA LEU A 26 2.164 -2.050 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.177 0.374 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.241 0.505 3.297 1.00 0.00 H new ATOM 0 HG LEU A 26 5.312 -0.522 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.441 -2.423 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.674 -1.006 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.674 -2.371 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.153 -2.850 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.384 -2.794 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.190 -1.734 0.443 1.00 0.00 H new ATOM 399 N ILE A 27 0.155 0.544 3.149 1.00 0.00 N ATOM 400 CA ILE A 27 -0.816 1.167 4.043 1.00 0.00 C ATOM 401 C ILE A 27 -2.000 0.219 4.209 1.00 0.00 C ATOM 402 O ILE A 27 -2.352 -0.186 5.317 1.00 0.00 O ATOM 403 CB ILE A 27 -1.291 2.500 3.459 1.00 0.00 C ATOM 404 CG1 ILE A 27 -0.261 3.588 3.769 1.00 0.00 C ATOM 405 CG2 ILE A 27 -2.637 2.880 4.080 1.00 0.00 C ATOM 406 CD1 ILE A 27 -0.479 4.781 2.836 1.00 0.00 C ATOM 0 H ILE A 27 0.144 0.890 2.190 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.355 1.361 5.012 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.404 2.403 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.353 3.904 4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.748 3.195 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.975 3.829 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.371 2.105 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.525 2.977 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.255 5.555 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.365 4.459 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.483 5.180 2.984 1.00 0.00 H new ATOM 417 N LEU A 28 -2.612 -0.104 3.075 1.00 0.00 N ATOM 418 CA LEU A 28 -3.774 -0.983 3.058 1.00 0.00 C ATOM 419 C LEU A 28 -3.518 -2.214 3.924 1.00 0.00 C ATOM 420 O LEU A 28 -4.382 -2.622 4.701 1.00 0.00 O ATOM 421 CB LEU A 28 -4.102 -1.408 1.623 1.00 0.00 C ATOM 422 CG LEU A 28 -5.423 -0.768 1.193 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.291 0.756 1.245 1.00 0.00 C ATOM 424 CD2 LEU A 28 -5.759 -1.201 -0.235 1.00 0.00 C ATOM 0 H LEU A 28 -2.322 0.230 2.156 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.626 -0.438 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.301 -1.103 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.174 -2.494 1.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.218 -1.088 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.232 1.213 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.051 1.066 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.496 1.076 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.700 -0.745 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.964 -0.881 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.852 -2.286 -0.274 1.00 0.00 H new ATOM 435 N ALA A 29 -2.329 -2.798 3.800 1.00 0.00 N ATOM 436 CA ALA A 29 -1.986 -3.972 4.598 1.00 0.00 C ATOM 437 C ALA A 29 -1.905 -3.590 6.071 1.00 0.00 C ATOM 438 O ALA A 29 -2.276 -4.364 6.953 1.00 0.00 O ATOM 439 CB ALA A 29 -0.644 -4.547 4.140 1.00 0.00 C ATOM 0 H ALA A 29 -1.596 -2.483 3.164 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.760 -4.728 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.399 -5.422 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.711 -4.835 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.135 -3.794 4.260 1.00 0.00 H new ATOM 445 N LEU A 30 -1.417 -2.382 6.318 1.00 0.00 N ATOM 446 CA LEU A 30 -1.288 -1.889 7.681 1.00 0.00 C ATOM 447 C LEU A 30 -2.603 -2.096 8.425 1.00 0.00 C ATOM 448 O LEU A 30 -2.618 -2.465 9.599 1.00 0.00 O ATOM 449 CB LEU A 30 -0.929 -0.401 7.671 1.00 0.00 C ATOM 450 CG LEU A 30 -0.209 -0.043 8.972 1.00 0.00 C ATOM 451 CD1 LEU A 30 1.294 -0.267 8.803 1.00 0.00 C ATOM 452 CD2 LEU A 30 -0.468 1.427 9.310 1.00 0.00 C ATOM 0 H LEU A 30 -1.106 -1.730 5.598 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.494 -2.440 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.292 -0.175 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.831 0.201 7.564 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.583 -0.674 9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.806 -0.012 9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.481 -1.313 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.668 0.364 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.045 1.683 10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.095 2.057 8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.539 1.589 9.431 1.00 0.00 H new ATOM 463 N TRP A 31 -3.704 -1.855 7.723 1.00 0.00 N ATOM 464 CA TRP A 31 -5.034 -2.014 8.301 1.00 0.00 C ATOM 465 C TRP A 31 -5.328 -3.480 8.611 1.00 0.00 C ATOM 466 O TRP A 31 -5.968 -3.790 9.613 1.00 0.00 O ATOM 467 CB TRP A 31 -6.090 -1.467 7.338 1.00 0.00 C ATOM 468 CG TRP A 31 -6.312 -0.016 7.616 1.00 0.00 C ATOM 469 CD1 TRP A 31 -5.396 0.961 7.427 1.00 0.00 C ATOM 470 CD2 TRP A 31 -7.507 0.637 8.133 1.00 0.00 C ATOM 471 NE1 TRP A 31 -5.954 2.173 7.793 1.00 0.00 N ATOM 472 CE2 TRP A 31 -7.254 2.025 8.236 1.00 0.00 C ATOM 473 CE3 TRP A 31 -8.776 0.164 8.517 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -8.223 2.913 8.703 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -9.753 1.056 8.990 1.00 0.00 C ATOM 476 CH2 TRP A 31 -9.477 2.428 9.082 1.00 0.00 C ATOM 0 H TRP A 31 -3.702 -1.548 6.750 1.00 0.00 H new ATOM 0 HA TRP A 31 -5.067 -1.453 9.235 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.764 -1.605 6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.024 -2.018 7.454 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.393 0.818 7.052 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -5.465 3.067 7.742 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.000 -0.890 8.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.005 3.969 8.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -10.723 0.683 9.285 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -10.233 3.109 9.445 1.00 0.00 H new ATOM 486 N LYS A 32 -4.819 -4.377 7.774 1.00 0.00 N ATOM 487 CA LYS A 32 -5.026 -5.797 8.025 1.00 0.00 C ATOM 488 C LYS A 32 -4.357 -6.139 9.347 1.00 0.00 C ATOM 489 O LYS A 32 -4.965 -6.722 10.244 1.00 0.00 O ATOM 490 CB LYS A 32 -4.423 -6.638 6.901 1.00 0.00 C ATOM 491 CG LYS A 32 -5.093 -6.268 5.575 1.00 0.00 C ATOM 492 CD LYS A 32 -4.495 -7.109 4.442 1.00 0.00 C ATOM 493 CE LYS A 32 -4.756 -8.593 4.703 1.00 0.00 C ATOM 494 NZ LYS A 32 -4.853 -9.317 3.405 1.00 0.00 N ATOM 0 H LYS A 32 -4.276 -4.156 6.940 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.093 -6.015 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.349 -6.466 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.564 -7.699 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.168 -6.439 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.950 -5.207 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.934 -6.816 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.423 -6.927 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.952 -9.014 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.679 -8.716 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.031 -10.326 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.635 -8.921 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.962 -9.210 2.880 1.00 0.00 H new ATOM 504 N ILE A 33 -3.096 -5.750 9.448 1.00 0.00 N ATOM 505 CA ILE A 33 -2.318 -5.987 10.653 1.00 0.00 C ATOM 506 C ILE A 33 -2.831 -5.102 11.783 1.00 0.00 C ATOM 507 O ILE A 33 -2.219 -5.027 12.851 1.00 0.00 O ATOM 508 CB ILE A 33 -0.839 -5.689 10.397 1.00 0.00 C ATOM 509 CG1 ILE A 33 -0.324 -6.597 9.276 1.00 0.00 C ATOM 510 CG2 ILE A 33 -0.033 -5.944 11.673 1.00 0.00 C ATOM 511 CD1 ILE A 33 1.026 -6.078 8.778 1.00 0.00 C ATOM 0 H ILE A 33 -2.588 -5.267 8.707 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.424 -7.034 10.937 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.726 -4.646 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.221 -7.619 9.640 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.041 -6.622 8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.020 -5.731 11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.399 -5.297 12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.145 -6.986 11.972 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.392 -6.724 7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.908 -5.063 8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.741 -6.076 9.601 1.00 0.00 H new ATOM 522 N GLY A 34 -3.952 -4.423 11.534 1.00 0.00 N ATOM 523 CA GLY A 34 -4.535 -3.531 12.534 1.00 0.00 C ATOM 524 C GLY A 34 -5.943 -3.965 12.909 1.00 0.00 C ATOM 525 O GLY A 34 -6.900 -3.211 12.738 1.00 0.00 O ATOM 0 H GLY A 34 -4.469 -4.473 10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.907 -3.520 13.425 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.557 -2.512 12.147 1.00 0.00 H new ATOM 529 N PHE A 35 -6.053 -5.183 13.430 1.00 0.00 N ATOM 530 CA PHE A 35 -7.343 -5.721 13.836 1.00 0.00 C ATOM 531 C PHE A 35 -8.439 -5.298 12.859 1.00 0.00 C ATOM 532 O PHE A 35 -9.503 -4.850 13.244 1.00 0.00 O ATOM 533 CB PHE A 35 -7.681 -5.262 15.260 1.00 0.00 C ATOM 534 CG PHE A 35 -8.974 -5.910 15.711 1.00 0.00 C ATOM 535 CD1 PHE A 35 -8.979 -7.225 16.193 1.00 0.00 C ATOM 536 CD2 PHE A 35 -10.172 -5.195 15.617 1.00 0.00 C ATOM 537 CE1 PHE A 35 -10.183 -7.823 16.580 1.00 0.00 C ATOM 538 CE2 PHE A 35 -11.378 -5.794 16.005 1.00 0.00 C ATOM 539 CZ PHE A 35 -11.383 -7.108 16.486 1.00 0.00 C ATOM 0 H PHE A 35 -5.265 -5.813 13.580 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.284 -6.809 13.824 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.872 -5.529 15.940 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.777 -4.177 15.290 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.054 -7.777 16.266 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.168 -4.181 15.245 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.187 -8.837 16.952 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.303 -5.242 15.933 1.00 0.00 H new ATOM 0 HZ PHE A 35 -12.312 -7.570 16.785 1.00 0.00 H new ATOM 548 N PHE A 36 -8.184 -5.483 11.585 1.00 0.00 N ATOM 549 CA PHE A 36 -9.167 -5.167 10.559 1.00 0.00 C ATOM 550 C PHE A 36 -9.374 -6.394 9.684 1.00 0.00 C ATOM 551 O PHE A 36 -10.157 -6.375 8.736 1.00 0.00 O ATOM 552 CB PHE A 36 -8.703 -4.002 9.692 1.00 0.00 C ATOM 553 CG PHE A 36 -9.920 -3.336 9.118 1.00 0.00 C ATOM 554 CD1 PHE A 36 -10.617 -2.386 9.875 1.00 0.00 C ATOM 555 CD2 PHE A 36 -10.375 -3.681 7.839 1.00 0.00 C ATOM 556 CE1 PHE A 36 -11.767 -1.782 9.354 1.00 0.00 C ATOM 557 CE2 PHE A 36 -11.524 -3.076 7.318 1.00 0.00 C ATOM 558 CZ PHE A 36 -12.221 -2.127 8.076 1.00 0.00 C ATOM 0 H PHE A 36 -7.303 -5.852 11.227 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.100 -4.880 11.044 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.125 -3.293 10.284 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.051 -4.357 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.267 -2.119 10.861 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.839 -4.414 7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.304 -1.050 9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.873 -3.341 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 36 -13.109 -1.661 7.674 1.00 0.00 H new ATOM 567 N LYS A 37 -8.665 -7.464 10.027 1.00 0.00 N ATOM 568 CA LYS A 37 -8.772 -8.715 9.284 1.00 0.00 C ATOM 569 C LYS A 37 -10.171 -9.302 9.448 1.00 0.00 C ATOM 570 O LYS A 37 -10.864 -9.569 8.468 1.00 0.00 O ATOM 571 CB LYS A 37 -7.727 -9.715 9.783 1.00 0.00 C ATOM 572 CG LYS A 37 -6.813 -10.120 8.624 1.00 0.00 C ATOM 573 CD LYS A 37 -7.629 -10.847 7.552 1.00 0.00 C ATOM 574 CE LYS A 37 -6.990 -12.206 7.253 1.00 0.00 C ATOM 575 NZ LYS A 37 -5.624 -12.000 6.696 1.00 0.00 N ATOM 0 H LYS A 37 -8.013 -7.491 10.811 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.592 -8.513 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.139 -9.272 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.219 -10.595 10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.339 -9.237 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.014 -10.767 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.655 -10.984 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.672 -10.246 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.937 -12.803 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.604 -12.760 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.358 -12.822 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.615 -11.143 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.944 -11.891 7.475 1.00 0.00 H new ATOM 585 N ARG A 38 -10.583 -9.491 10.700 1.00 0.00 N ATOM 586 CA ARG A 38 -11.904 -10.032 10.990 1.00 0.00 C ATOM 587 C ARG A 38 -12.077 -11.417 10.361 1.00 0.00 C ATOM 588 O ARG A 38 -12.749 -11.565 9.341 1.00 0.00 O ATOM 589 CB ARG A 38 -12.971 -9.079 10.449 1.00 0.00 C ATOM 590 CG ARG A 38 -14.344 -9.461 11.005 1.00 0.00 C ATOM 591 CD ARG A 38 -15.436 -8.836 10.136 1.00 0.00 C ATOM 592 NE ARG A 38 -15.552 -9.564 8.878 1.00 0.00 N ATOM 593 CZ ARG A 38 -16.593 -9.387 8.070 1.00 0.00 C ATOM 594 NH1 ARG A 38 -17.534 -8.543 8.393 1.00 0.00 N ATOM 595 NH2 ARG A 38 -16.673 -10.058 6.953 1.00 0.00 N ATOM 0 H ARG A 38 -10.022 -9.278 11.525 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.012 -10.133 12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.729 -8.053 10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.987 -9.118 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.453 -10.545 11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.441 -9.115 12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -16.389 -8.855 10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -15.201 -7.790 9.940 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.820 -10.222 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -17.471 -8.019 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -18.332 -8.407 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.937 -10.718 6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.471 -9.923 6.333 1.00 0.00 H new ATOM 606 N PRO A 39 -11.486 -12.425 10.951 1.00 0.00 N ATOM 607 CA PRO A 39 -11.578 -13.818 10.439 1.00 0.00 C ATOM 608 C PRO A 39 -12.905 -14.474 10.815 1.00 0.00 C ATOM 609 O PRO A 39 -13.887 -14.329 10.086 1.00 0.00 O ATOM 610 CB PRO A 39 -10.392 -14.522 11.102 1.00 0.00 C ATOM 611 CG PRO A 39 -10.129 -13.768 12.366 1.00 0.00 C ATOM 612 CD PRO A 39 -10.666 -12.345 12.171 1.00 0.00 C ATOM 0 HA PRO A 39 -11.544 -13.868 9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.623 -15.567 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.518 -14.513 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.620 -14.251 13.211 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.062 -13.749 12.586 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.259 -12.024 13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.854 -11.626 12.057 1.00 0.00 H new ATOM 617 N LEU A 40 -12.909 -15.181 11.953 1.00 0.00 N ATOM 618 CA LEU A 40 -14.102 -15.875 12.466 1.00 0.00 C ATOM 619 C LEU A 40 -15.284 -15.791 11.505 1.00 0.00 C ATOM 620 O LEU A 40 -16.109 -14.882 11.601 1.00 0.00 O ATOM 621 CB LEU A 40 -14.506 -15.273 13.814 1.00 0.00 C ATOM 622 CG LEU A 40 -14.602 -13.746 13.695 1.00 0.00 C ATOM 623 CD1 LEU A 40 -15.979 -13.273 14.171 1.00 0.00 C ATOM 624 CD2 LEU A 40 -13.520 -13.101 14.566 1.00 0.00 C ATOM 0 H LEU A 40 -12.086 -15.289 12.545 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.841 -16.927 12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -15.464 -15.683 14.133 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.775 -15.542 14.576 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.461 -13.458 12.653 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.041 -12.188 14.084 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -16.754 -13.731 13.556 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.123 -13.563 15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.585 -12.016 14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.666 -13.396 15.605 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.537 -13.432 14.230 1.00 0.00 H new ATOM 635 N LYS A 41 -15.358 -16.735 10.573 1.00 0.00 N ATOM 636 CA LYS A 41 -16.441 -16.749 9.595 1.00 0.00 C ATOM 637 C LYS A 41 -17.803 -16.615 10.271 1.00 0.00 C ATOM 638 O LYS A 41 -18.478 -15.593 10.132 1.00 0.00 O ATOM 639 CB LYS A 41 -16.395 -18.054 8.797 1.00 0.00 C ATOM 640 CG LYS A 41 -15.652 -17.825 7.479 1.00 0.00 C ATOM 641 CD LYS A 41 -16.541 -17.048 6.503 1.00 0.00 C ATOM 642 CE LYS A 41 -15.761 -15.857 5.943 1.00 0.00 C ATOM 643 NZ LYS A 41 -16.628 -15.094 5.000 1.00 0.00 N ATOM 0 H LYS A 41 -14.686 -17.496 10.474 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.306 -15.898 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.895 -18.829 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.407 -18.407 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.731 -17.272 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.368 -18.782 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.864 -17.699 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -17.441 -16.701 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.432 -15.210 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.865 -16.205 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.098 -14.284 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.921 -15.714 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.470 -14.750 5.504 1.00 0.00 H new ATOM 653 N LYS A 42 -18.207 -17.652 10.998 1.00 0.00 N ATOM 654 CA LYS A 42 -19.496 -17.638 11.685 1.00 0.00 C ATOM 655 C LYS A 42 -20.598 -17.152 10.746 1.00 0.00 C ATOM 656 O LYS A 42 -20.799 -15.949 10.578 1.00 0.00 O ATOM 657 CB LYS A 42 -19.427 -16.729 12.913 1.00 0.00 C ATOM 658 CG LYS A 42 -18.497 -17.352 13.957 1.00 0.00 C ATOM 659 CD LYS A 42 -19.301 -18.264 14.885 1.00 0.00 C ATOM 660 CE LYS A 42 -19.846 -17.445 16.057 1.00 0.00 C ATOM 661 NZ LYS A 42 -18.784 -17.291 17.091 1.00 0.00 N ATOM 0 H LYS A 42 -17.666 -18.507 11.127 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.728 -18.655 12.003 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -19.062 -15.742 12.628 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -20.423 -16.592 13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.710 -17.922 13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.008 -16.569 14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.122 -18.726 14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.670 -19.072 15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.174 -16.466 15.709 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -20.718 -17.939 16.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.012 -16.484 17.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.729 -18.157 17.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.869 -17.124 16.626 1.00 0.00 H new ATOM 671 N LYS A 43 -21.310 -18.095 10.135 1.00 0.00 N ATOM 672 CA LYS A 43 -22.390 -17.748 9.211 1.00 0.00 C ATOM 673 C LYS A 43 -23.587 -18.672 9.412 1.00 0.00 C ATOM 674 O LYS A 43 -23.448 -19.895 9.412 1.00 0.00 O ATOM 675 CB LYS A 43 -21.896 -17.855 7.765 1.00 0.00 C ATOM 676 CG LYS A 43 -20.746 -16.868 7.542 1.00 0.00 C ATOM 677 CD LYS A 43 -20.606 -16.579 6.046 1.00 0.00 C ATOM 678 CE LYS A 43 -21.400 -15.320 5.692 1.00 0.00 C ATOM 679 NZ LYS A 43 -21.445 -15.164 4.211 1.00 0.00 N ATOM 0 H LYS A 43 -21.162 -19.096 10.260 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.700 -16.723 9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.562 -18.872 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.712 -17.641 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.936 -15.943 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.816 -17.282 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.556 -16.444 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.970 -17.427 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.411 -15.390 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.937 -14.445 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.984 -14.309 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.477 -15.079 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.905 -15.995 3.788 1.00 0.00 H new ATOM 689 N MET A 44 -24.763 -18.075 9.585 1.00 0.00 N ATOM 690 CA MET A 44 -25.982 -18.851 9.788 1.00 0.00 C ATOM 691 C MET A 44 -26.364 -19.596 8.514 1.00 0.00 C ATOM 692 O MET A 44 -26.287 -19.046 7.415 1.00 0.00 O ATOM 693 CB MET A 44 -27.126 -17.923 10.203 1.00 0.00 C ATOM 694 CG MET A 44 -26.768 -17.225 11.515 1.00 0.00 C ATOM 695 SD MET A 44 -27.293 -15.494 11.441 1.00 0.00 S ATOM 696 CE MET A 44 -25.832 -14.841 10.595 1.00 0.00 C ATOM 0 H MET A 44 -24.897 -17.064 9.589 1.00 0.00 H new ATOM 0 HA MET A 44 -25.799 -19.580 10.578 1.00 0.00 H new ATOM 0 HB2 MET A 44 -27.309 -17.183 9.424 1.00 0.00 H new ATOM 0 HB3 MET A 44 -28.046 -18.494 10.322 1.00 0.00 H new ATOM 0 HG2 MET A 44 -27.254 -17.728 12.351 1.00 0.00 H new ATOM 0 HG3 MET A 44 -25.694 -17.283 11.689 1.00 0.00 H new ATOM 0 HE1 MET A 44 -25.836 -13.752 10.649 1.00 0.00 H new ATOM 0 HE2 MET A 44 -24.932 -15.225 11.075 1.00 0.00 H new ATOM 0 HE3 MET A 44 -25.847 -15.152 9.550 1.00 0.00 H new ATOM 704 N GLU A 45 -26.777 -20.851 8.669 1.00 0.00 N ATOM 705 CA GLU A 45 -27.172 -21.666 7.525 1.00 0.00 C ATOM 706 C GLU A 45 -28.573 -21.278 7.055 1.00 0.00 C ATOM 707 O GLU A 45 -28.915 -20.097 7.012 1.00 0.00 O ATOM 708 CB GLU A 45 -27.136 -23.147 7.911 1.00 0.00 C ATOM 709 CG GLU A 45 -26.851 -24.003 6.673 1.00 0.00 C ATOM 710 CD GLU A 45 -26.825 -25.474 7.069 1.00 0.00 C ATOM 711 OE1 GLU A 45 -27.126 -25.758 8.218 1.00 0.00 O ATOM 712 OE2 GLU A 45 -26.496 -26.294 6.228 1.00 0.00 O ATOM 0 H GLU A 45 -26.847 -21.323 9.570 1.00 0.00 H new ATOM 0 HA GLU A 45 -26.473 -21.492 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -26.368 -23.316 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -28.088 -23.439 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -27.616 -23.833 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -25.896 -23.717 6.232 1.00 0.00 H new ATOM 717 N LYS A 46 -29.379 -22.274 6.702 1.00 0.00 N ATOM 718 CA LYS A 46 -30.734 -22.018 6.238 1.00 0.00 C ATOM 719 C LYS A 46 -31.579 -23.286 6.326 1.00 0.00 C ATOM 720 O LYS A 46 -31.322 -24.198 5.559 1.00 0.00 O ATOM 721 CB LYS A 46 -30.700 -21.523 4.790 1.00 0.00 C ATOM 722 CG LYS A 46 -31.131 -20.056 4.729 1.00 0.00 C ATOM 723 CD LYS A 46 -30.819 -19.491 3.341 1.00 0.00 C ATOM 724 CE LYS A 46 -31.489 -20.359 2.276 1.00 0.00 C ATOM 725 NZ LYS A 46 -31.666 -19.561 1.029 1.00 0.00 N ATOM 0 H LYS A 46 -29.118 -23.260 6.729 1.00 0.00 H new ATOM 0 HA LYS A 46 -31.181 -21.254 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -29.695 -21.633 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.362 -22.131 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -32.197 -19.970 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -30.609 -19.480 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -31.176 -18.464 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -29.741 -19.466 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -30.881 -21.241 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -32.455 -20.714 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -32.122 -20.149 0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -32.263 -18.733 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -30.737 -19.244 0.685 1.00 0.00 H new TER 735 LYS A 46