USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 392 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 Set 1.1: A 16 GLN :FLIP amide:sc= -9.8! C(o=-12!,f=-9.8!) USER MOD Set 1.2: A 20 MET CE :methyl 180:sc= -0.0452 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 105:sc=-0.00537! USER MOD Single : A 15 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 17 MET CE :methyl 155:sc= -2.2 (180deg=-3.61!) USER MOD Single : A 19 SER OG : rot 55:sc= 1.12 USER MOD Single : A 23 SER OG : rot 33:sc= 0.0388 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 34 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.00082) USER MOD Single : A 35 THR OG1 : rot -73:sc= 0.471 USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.633 (180deg=-2.18!) USER MOD Single : A 37 ASN : amide:sc= -4.8! C(o=-4.8!,f=-9.4!) USER MOD Single : A 38 TYR OH : rot 30:sc= -1.53! USER MOD Single : A 46 THR OG1 : rot 100:sc= 0.887 USER MOD Single : A 48 GLN : amide:sc= -7.32! C(o=-7.3!,f=-8.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.0978 K(o=-0.098,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.625 -16.055 2.717 1.00 0.00 N ATOM 2 CA GLY A 1 26.051 -16.031 2.287 1.00 0.00 C ATOM 3 C GLY A 1 26.483 -14.669 1.781 1.00 0.00 C ATOM 4 O GLY A 1 25.835 -14.087 0.910 1.00 0.00 O ATOM 0 H1 GLY A 1 24.380 -17.008 3.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.482 -15.369 3.485 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.015 -15.805 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.685 -16.321 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.203 -16.771 1.502 1.00 0.00 H new ATOM 10 N SER A 2 27.582 -14.159 2.328 1.00 0.00 N ATOM 11 CA SER A 2 28.100 -12.858 1.926 1.00 0.00 C ATOM 12 C SER A 2 28.600 -12.897 0.485 1.00 0.00 C ATOM 13 O SER A 2 29.489 -13.678 0.147 1.00 0.00 O ATOM 14 CB SER A 2 29.229 -12.422 2.862 1.00 0.00 C ATOM 15 OG SER A 2 28.793 -11.410 3.752 1.00 0.00 O ATOM 0 H SER A 2 28.130 -14.627 3.050 1.00 0.00 H new ATOM 0 HA SER A 2 27.288 -12.134 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.586 -13.281 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.071 -12.056 2.275 1.00 0.00 H new ATOM 0 HG SER A 2 29.533 -11.151 4.340 1.00 0.00 H new ATOM 21 N PRO A 3 28.028 -12.051 -0.384 1.00 0.00 N ATOM 22 CA PRO A 3 28.406 -11.985 -1.790 1.00 0.00 C ATOM 23 C PRO A 3 29.583 -11.048 -2.030 1.00 0.00 C ATOM 24 O PRO A 3 29.880 -10.185 -1.205 1.00 0.00 O ATOM 25 CB PRO A 3 27.142 -11.438 -2.447 1.00 0.00 C ATOM 26 CG PRO A 3 26.519 -10.563 -1.409 1.00 0.00 C ATOM 27 CD PRO A 3 26.959 -11.089 -0.061 1.00 0.00 C ATOM 0 HA PRO A 3 28.733 -12.948 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 3 27.378 -10.874 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 3 26.469 -12.243 -2.741 1.00 0.00 H new ATOM 0 HG2 PRO A 3 26.833 -9.527 -1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 3 25.432 -10.580 -1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 3 27.324 -10.287 0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 3 26.136 -11.570 0.468 1.00 0.00 H new ATOM 35 N PRO A 4 30.268 -11.204 -3.171 1.00 0.00 N ATOM 36 CA PRO A 4 31.414 -10.365 -3.526 1.00 0.00 C ATOM 37 C PRO A 4 31.010 -8.912 -3.741 1.00 0.00 C ATOM 38 O PRO A 4 31.001 -8.422 -4.870 1.00 0.00 O ATOM 39 CB PRO A 4 31.928 -10.981 -4.830 1.00 0.00 C ATOM 40 CG PRO A 4 30.765 -11.728 -5.389 1.00 0.00 C ATOM 41 CD PRO A 4 29.969 -12.206 -4.207 1.00 0.00 C ATOM 0 HA PRO A 4 32.164 -10.342 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 4 32.272 -10.212 -5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 4 32.772 -11.645 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 4 30.162 -11.086 -6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 4 31.098 -12.567 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 4 28.903 -12.248 -4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 4 30.270 -13.207 -3.898 1.00 0.00 H new ATOM 49 N GLU A 5 30.684 -8.232 -2.645 1.00 0.00 N ATOM 50 CA GLU A 5 30.280 -6.830 -2.697 1.00 0.00 C ATOM 51 C GLU A 5 29.394 -6.468 -1.510 1.00 0.00 C ATOM 52 O GLU A 5 28.176 -6.626 -1.571 1.00 0.00 O ATOM 53 CB GLU A 5 29.535 -6.532 -3.999 1.00 0.00 C ATOM 54 CG GLU A 5 30.408 -5.883 -5.061 1.00 0.00 C ATOM 55 CD GLU A 5 29.889 -6.120 -6.466 1.00 0.00 C ATOM 56 OE1 GLU A 5 28.687 -5.882 -6.703 1.00 0.00 O ATOM 57 OE2 GLU A 5 30.686 -6.546 -7.329 1.00 0.00 O ATOM 0 H GLU A 5 30.692 -8.631 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 5 31.186 -6.226 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 5 29.125 -7.461 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.691 -5.877 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.464 -4.811 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.422 -6.274 -4.981 1.00 0.00 H new ATOM 64 N ALA A 6 30.031 -5.987 -0.439 1.00 0.00 N ATOM 65 CA ALA A 6 29.344 -5.587 0.793 1.00 0.00 C ATOM 66 C ALA A 6 29.687 -6.537 1.928 1.00 0.00 C ATOM 67 O ALA A 6 28.848 -6.843 2.775 1.00 0.00 O ATOM 68 CB ALA A 6 27.834 -5.509 0.610 1.00 0.00 C ATOM 0 H ALA A 6 31.043 -5.863 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 6 29.695 -4.586 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 6 27.369 -5.209 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 6 27.598 -4.776 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 6 27.453 -6.486 0.312 1.00 0.00 H new ATOM 74 N ASP A 7 30.934 -6.987 1.944 1.00 0.00 N ATOM 75 CA ASP A 7 31.408 -7.890 2.980 1.00 0.00 C ATOM 76 C ASP A 7 31.975 -7.081 4.132 1.00 0.00 C ATOM 77 O ASP A 7 32.442 -5.964 3.932 1.00 0.00 O ATOM 78 CB ASP A 7 32.474 -8.832 2.421 1.00 0.00 C ATOM 79 CG ASP A 7 32.044 -9.485 1.122 1.00 0.00 C ATOM 80 OD1 ASP A 7 30.832 -9.461 0.820 1.00 0.00 O ATOM 81 OD2 ASP A 7 32.916 -10.018 0.407 1.00 0.00 O ATOM 0 H ASP A 7 31.637 -6.739 1.248 1.00 0.00 H new ATOM 0 HA ASP A 7 30.573 -8.493 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.397 -8.276 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.695 -9.605 3.157 1.00 0.00 H new ATOM 86 N PRO A 8 31.948 -7.626 5.352 1.00 0.00 N ATOM 87 CA PRO A 8 32.464 -6.944 6.526 1.00 0.00 C ATOM 88 C PRO A 8 33.605 -5.989 6.186 1.00 0.00 C ATOM 89 O PRO A 8 33.540 -4.801 6.486 1.00 0.00 O ATOM 90 CB PRO A 8 32.948 -8.111 7.376 1.00 0.00 C ATOM 91 CG PRO A 8 31.981 -9.215 7.078 1.00 0.00 C ATOM 92 CD PRO A 8 31.427 -8.959 5.691 1.00 0.00 C ATOM 0 HA PRO A 8 31.726 -6.310 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.968 -8.395 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 8 32.947 -7.858 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.478 -10.184 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 8 31.179 -9.234 7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.762 -9.714 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 8 30.337 -8.977 5.685 1.00 0.00 H new ATOM 100 N ARG A 9 34.649 -6.519 5.564 1.00 0.00 N ATOM 101 CA ARG A 9 35.813 -5.720 5.187 1.00 0.00 C ATOM 102 C ARG A 9 35.475 -4.646 4.149 1.00 0.00 C ATOM 103 O ARG A 9 36.013 -3.541 4.195 1.00 0.00 O ATOM 104 CB ARG A 9 36.905 -6.629 4.628 1.00 0.00 C ATOM 105 CG ARG A 9 37.331 -7.729 5.585 1.00 0.00 C ATOM 106 CD ARG A 9 38.681 -7.425 6.216 1.00 0.00 C ATOM 107 NE ARG A 9 39.774 -8.089 5.512 1.00 0.00 N ATOM 108 CZ ARG A 9 40.128 -9.353 5.723 1.00 0.00 C ATOM 109 NH1 ARG A 9 39.487 -10.083 6.625 1.00 0.00 N ATOM 110 NH2 ARG A 9 41.126 -9.888 5.033 1.00 0.00 N ATOM 0 H ARG A 9 34.716 -7.504 5.307 1.00 0.00 H new ATOM 0 HA ARG A 9 36.159 -5.214 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 9 36.550 -7.082 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.775 -6.023 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.580 -7.844 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.383 -8.678 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.849 -6.348 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.674 -7.744 7.258 1.00 0.00 H new ATOM 0 HE ARG A 9 40.296 -7.553 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.720 -9.675 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.761 -11.052 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 9 41.623 -9.330 4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 9 41.396 -10.858 5.196 1.00 0.00 H new ATOM 124 N LEU A 10 34.607 -4.982 3.199 1.00 0.00 N ATOM 125 CA LEU A 10 34.235 -4.053 2.142 1.00 0.00 C ATOM 126 C LEU A 10 33.087 -3.144 2.572 1.00 0.00 C ATOM 127 O LEU A 10 32.995 -1.989 2.158 1.00 0.00 O ATOM 128 CB LEU A 10 33.878 -4.832 0.875 1.00 0.00 C ATOM 129 CG LEU A 10 34.882 -5.928 0.491 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.990 -6.054 -1.020 1.00 0.00 C ATOM 131 CD2 LEU A 10 36.253 -5.646 1.095 1.00 0.00 C ATOM 0 H LEU A 10 34.149 -5.892 3.141 1.00 0.00 H new ATOM 0 HA LEU A 10 35.088 -3.408 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.897 -5.288 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.792 -4.130 0.045 1.00 0.00 H new ATOM 0 HG LEU A 10 34.516 -6.872 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.707 -6.836 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.015 -6.310 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 10 35.326 -5.106 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.946 -6.437 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 36.622 -4.689 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 10 36.172 -5.611 2.181 1.00 0.00 H new ATOM 143 N ILE A 11 32.237 -3.647 3.444 1.00 0.00 N ATOM 144 CA ILE A 11 31.142 -2.847 3.954 1.00 0.00 C ATOM 145 C ILE A 11 31.655 -1.979 5.092 1.00 0.00 C ATOM 146 O ILE A 11 31.095 -0.929 5.405 1.00 0.00 O ATOM 147 CB ILE A 11 29.971 -3.720 4.445 1.00 0.00 C ATOM 148 CG1 ILE A 11 28.739 -2.859 4.723 1.00 0.00 C ATOM 149 CG2 ILE A 11 30.375 -4.494 5.690 1.00 0.00 C ATOM 150 CD1 ILE A 11 27.637 -3.601 5.448 1.00 0.00 C ATOM 0 H ILE A 11 32.282 -4.597 3.812 1.00 0.00 H new ATOM 0 HA ILE A 11 30.764 -2.225 3.142 1.00 0.00 H new ATOM 0 HB ILE A 11 29.718 -4.434 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 11 29.036 -1.994 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 11 28.350 -2.479 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 11 29.538 -5.106 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 11 31.225 -5.136 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 11 30.652 -3.795 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 26.794 -2.930 5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.313 -4.450 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 11 28.009 -3.958 6.408 1.00 0.00 H new ATOM 162 N GLU A 12 32.759 -2.428 5.674 1.00 0.00 N ATOM 163 CA GLU A 12 33.413 -1.707 6.753 1.00 0.00 C ATOM 164 C GLU A 12 34.564 -0.863 6.213 1.00 0.00 C ATOM 165 O GLU A 12 34.648 0.337 6.475 1.00 0.00 O ATOM 166 CB GLU A 12 33.930 -2.676 7.819 1.00 0.00 C ATOM 167 CG GLU A 12 34.319 -1.998 9.123 1.00 0.00 C ATOM 168 CD GLU A 12 33.367 -2.326 10.257 1.00 0.00 C ATOM 169 OE1 GLU A 12 32.528 -3.235 10.084 1.00 0.00 O ATOM 170 OE2 GLU A 12 33.462 -1.675 11.319 1.00 0.00 O ATOM 0 H GLU A 12 33.223 -3.298 5.412 1.00 0.00 H new ATOM 0 HA GLU A 12 32.677 -1.046 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 12 33.162 -3.422 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 12 34.795 -3.209 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 12 35.328 -2.304 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 12 34.343 -0.918 8.974 1.00 0.00 H new ATOM 177 N SER A 13 35.477 -1.519 5.496 1.00 0.00 N ATOM 178 CA SER A 13 36.662 -0.854 4.961 1.00 0.00 C ATOM 179 C SER A 13 36.511 -0.358 3.517 1.00 0.00 C ATOM 180 O SER A 13 37.039 0.702 3.181 1.00 0.00 O ATOM 181 CB SER A 13 37.863 -1.797 5.048 1.00 0.00 C ATOM 182 OG SER A 13 37.567 -2.926 5.850 1.00 0.00 O ATOM 0 H SER A 13 35.417 -2.512 5.273 1.00 0.00 H new ATOM 0 HA SER A 13 36.810 0.034 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.147 -2.122 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.718 -1.265 5.465 1.00 0.00 H new ATOM 0 HG SER A 13 37.427 -3.708 5.276 1.00 0.00 H new ATOM 188 N LEU A 14 35.827 -1.105 2.647 1.00 0.00 N ATOM 189 CA LEU A 14 35.698 -0.660 1.257 1.00 0.00 C ATOM 190 C LEU A 14 34.785 0.547 1.158 1.00 0.00 C ATOM 191 O LEU A 14 35.198 1.596 0.669 1.00 0.00 O ATOM 192 CB LEU A 14 35.212 -1.772 0.325 1.00 0.00 C ATOM 193 CG LEU A 14 34.876 -1.310 -1.094 1.00 0.00 C ATOM 194 CD1 LEU A 14 35.434 -2.283 -2.119 1.00 0.00 C ATOM 195 CD2 LEU A 14 33.372 -1.156 -1.263 1.00 0.00 C ATOM 0 H LEU A 14 35.369 -1.989 2.868 1.00 0.00 H new ATOM 0 HA LEU A 14 36.698 -0.378 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.980 -2.544 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 14 34.327 -2.234 0.762 1.00 0.00 H new ATOM 0 HG LEU A 14 35.340 -0.338 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.185 -1.937 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 14 36.517 -2.341 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 14 35.001 -3.270 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 33.152 -0.827 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.885 -2.114 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 33.000 -0.417 -0.553 1.00 0.00 H new ATOM 207 N SER A 15 33.545 0.408 1.618 1.00 0.00 N ATOM 208 CA SER A 15 32.602 1.520 1.571 1.00 0.00 C ATOM 209 C SER A 15 33.321 2.824 1.895 1.00 0.00 C ATOM 210 O SER A 15 33.394 3.729 1.065 1.00 0.00 O ATOM 211 CB SER A 15 31.456 1.289 2.557 1.00 0.00 C ATOM 212 OG SER A 15 31.065 2.502 3.176 1.00 0.00 O ATOM 0 H SER A 15 33.173 -0.452 2.022 1.00 0.00 H new ATOM 0 HA SER A 15 32.185 1.585 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.605 0.853 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 15 31.765 0.572 3.317 1.00 0.00 H new ATOM 0 HG SER A 15 30.330 2.328 3.801 1.00 0.00 H new ATOM 218 N GLN A 16 33.860 2.906 3.109 1.00 0.00 N ATOM 219 CA GLN A 16 34.587 4.092 3.547 1.00 0.00 C ATOM 220 C GLN A 16 35.495 4.617 2.434 1.00 0.00 C ATOM 221 O GLN A 16 35.866 5.785 2.427 1.00 0.00 O ATOM 222 CB GLN A 16 35.402 3.779 4.816 1.00 0.00 C ATOM 223 CG GLN A 16 36.913 3.738 4.610 1.00 0.00 C ATOM 224 CD GLN A 16 37.502 5.106 4.318 1.00 0.00 C ATOM 225 OE1 GLN A 16 38.168 5.231 3.175 1.00 0.00 O flip ATOM 226 NE2 GLN A 16 37.362 6.038 5.110 1.00 0.00 N flip ATOM 0 H GLN A 16 33.806 2.164 3.807 1.00 0.00 H new ATOM 0 HA GLN A 16 33.863 4.872 3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 16 35.173 4.529 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 16 35.077 2.817 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 16 37.386 3.326 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 16 37.145 3.064 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 16 36.843 5.897 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 16 37.765 6.951 4.900 1.00 0.00 H new ATOM 235 N MET A 17 35.871 3.743 1.506 1.00 0.00 N ATOM 236 CA MET A 17 36.744 4.128 0.409 1.00 0.00 C ATOM 237 C MET A 17 35.947 4.550 -0.824 1.00 0.00 C ATOM 238 O MET A 17 36.404 5.387 -1.603 1.00 0.00 O ATOM 239 CB MET A 17 37.684 2.976 0.051 1.00 0.00 C ATOM 240 CG MET A 17 39.150 3.375 0.017 1.00 0.00 C ATOM 241 SD MET A 17 40.130 2.334 -1.082 1.00 0.00 S ATOM 242 CE MET A 17 39.771 3.079 -2.672 1.00 0.00 C ATOM 0 H MET A 17 35.584 2.764 1.494 1.00 0.00 H new ATOM 0 HA MET A 17 37.330 4.985 0.740 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.552 2.172 0.775 1.00 0.00 H new ATOM 0 HB3 MET A 17 37.402 2.577 -0.923 1.00 0.00 H new ATOM 0 HG2 MET A 17 39.232 4.413 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 17 39.561 3.320 1.025 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.589 2.874 -3.363 1.00 0.00 H new ATOM 0 HE2 MET A 17 38.847 2.660 -3.070 1.00 0.00 H new ATOM 0 HE3 MET A 17 39.659 4.157 -2.552 1.00 0.00 H new ATOM 252 N LEU A 18 34.762 3.965 -1.016 1.00 0.00 N ATOM 253 CA LEU A 18 33.945 4.304 -2.181 1.00 0.00 C ATOM 254 C LEU A 18 32.981 5.454 -1.887 1.00 0.00 C ATOM 255 O LEU A 18 33.169 6.566 -2.383 1.00 0.00 O ATOM 256 CB LEU A 18 33.166 3.078 -2.660 1.00 0.00 C ATOM 257 CG LEU A 18 33.764 2.371 -3.880 1.00 0.00 C ATOM 258 CD1 LEU A 18 32.909 1.179 -4.283 1.00 0.00 C ATOM 259 CD2 LEU A 18 33.906 3.344 -5.041 1.00 0.00 C ATOM 0 H LEU A 18 34.354 3.268 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 18 34.623 4.632 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.101 2.363 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.147 3.383 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 18 34.755 2.005 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.351 0.691 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.858 0.471 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.904 1.520 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.332 2.826 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.926 3.740 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 34.562 4.164 -4.750 1.00 0.00 H new ATOM 271 N SER A 19 31.934 5.185 -1.106 1.00 0.00 N ATOM 272 CA SER A 19 30.920 6.191 -0.775 1.00 0.00 C ATOM 273 C SER A 19 31.436 7.286 0.163 1.00 0.00 C ATOM 274 O SER A 19 30.651 8.093 0.665 1.00 0.00 O ATOM 275 CB SER A 19 29.700 5.511 -0.152 1.00 0.00 C ATOM 276 OG SER A 19 29.462 5.984 1.161 1.00 0.00 O ATOM 0 H SER A 19 31.764 4.271 -0.687 1.00 0.00 H new ATOM 0 HA SER A 19 30.648 6.681 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 19 28.822 5.695 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 29.854 4.432 -0.130 1.00 0.00 H new ATOM 0 HG SER A 19 29.383 6.961 1.148 1.00 0.00 H new ATOM 282 N MET A 20 32.744 7.345 0.370 1.00 0.00 N ATOM 283 CA MET A 20 33.323 8.380 1.210 1.00 0.00 C ATOM 284 C MET A 20 33.700 9.573 0.349 1.00 0.00 C ATOM 285 O MET A 20 33.914 10.677 0.850 1.00 0.00 O ATOM 286 CB MET A 20 34.556 7.866 1.945 1.00 0.00 C ATOM 287 CG MET A 20 35.353 8.961 2.634 1.00 0.00 C ATOM 288 SD MET A 20 36.711 8.312 3.625 1.00 0.00 S ATOM 289 CE MET A 20 36.380 9.097 5.200 1.00 0.00 C ATOM 0 H MET A 20 33.419 6.693 -0.030 1.00 0.00 H new ATOM 0 HA MET A 20 32.584 8.676 1.954 1.00 0.00 H new ATOM 0 HB2 MET A 20 34.246 7.131 2.688 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.202 7.349 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 20 35.750 9.643 1.883 1.00 0.00 H new ATOM 0 HG3 MET A 20 34.688 9.542 3.273 1.00 0.00 H new ATOM 0 HE1 MET A 20 37.137 8.794 5.924 1.00 0.00 H new ATOM 0 HE2 MET A 20 36.406 10.180 5.079 1.00 0.00 H new ATOM 0 HE3 MET A 20 35.395 8.795 5.557 1.00 0.00 H new ATOM 299 N GLY A 21 33.771 9.337 -0.957 1.00 0.00 N ATOM 300 CA GLY A 21 34.114 10.391 -1.881 1.00 0.00 C ATOM 301 C GLY A 21 35.457 10.171 -2.543 1.00 0.00 C ATOM 302 O GLY A 21 36.026 11.100 -3.114 1.00 0.00 O ATOM 0 H GLY A 21 33.596 8.430 -1.389 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.343 10.462 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.126 11.344 -1.351 1.00 0.00 H new ATOM 306 N PHE A 22 35.975 8.943 -2.477 1.00 0.00 N ATOM 307 CA PHE A 22 37.256 8.629 -3.080 1.00 0.00 C ATOM 308 C PHE A 22 37.119 7.385 -3.941 1.00 0.00 C ATOM 309 O PHE A 22 36.028 6.826 -4.062 1.00 0.00 O ATOM 310 CB PHE A 22 38.310 8.400 -1.996 1.00 0.00 C ATOM 311 CG PHE A 22 38.968 9.664 -1.524 1.00 0.00 C ATOM 312 CD1 PHE A 22 38.289 10.553 -0.707 1.00 0.00 C ATOM 313 CD2 PHE A 22 40.268 9.962 -1.896 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.894 11.717 -0.272 1.00 0.00 C ATOM 315 CE2 PHE A 22 40.877 11.123 -1.464 1.00 0.00 C ATOM 316 CZ PHE A 22 40.190 12.002 -0.651 1.00 0.00 C ATOM 0 H PHE A 22 35.522 8.156 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 22 37.573 9.467 -3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 22 37.843 7.903 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.074 7.724 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 22 37.275 10.334 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 40.812 9.278 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 22 38.353 12.403 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 22 41.891 11.344 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 22 40.666 12.911 -0.312 1.00 0.00 H new ATOM 326 N SER A 23 38.214 6.951 -4.542 1.00 0.00 N ATOM 327 CA SER A 23 38.172 5.773 -5.389 1.00 0.00 C ATOM 328 C SER A 23 39.494 5.008 -5.340 1.00 0.00 C ATOM 329 O SER A 23 40.324 5.249 -4.472 1.00 0.00 O ATOM 330 CB SER A 23 37.851 6.187 -6.827 1.00 0.00 C ATOM 331 OG SER A 23 36.465 6.060 -7.097 1.00 0.00 O ATOM 0 H SER A 23 39.131 7.390 -4.461 1.00 0.00 H new ATOM 0 HA SER A 23 37.391 5.109 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.163 7.218 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 23 38.418 5.568 -7.522 1.00 0.00 H new ATOM 0 HG SER A 23 35.954 6.248 -6.282 1.00 0.00 H new ATOM 337 N ASP A 24 39.684 4.095 -6.291 1.00 0.00 N ATOM 338 CA ASP A 24 40.914 3.313 -6.364 1.00 0.00 C ATOM 339 C ASP A 24 41.955 4.059 -7.193 1.00 0.00 C ATOM 340 O ASP A 24 41.743 4.322 -8.376 1.00 0.00 O ATOM 341 CB ASP A 24 40.639 1.937 -6.977 1.00 0.00 C ATOM 342 CG ASP A 24 40.019 2.035 -8.358 1.00 0.00 C ATOM 343 OD1 ASP A 24 38.774 2.077 -8.449 1.00 0.00 O ATOM 344 OD2 ASP A 24 40.779 2.070 -9.349 1.00 0.00 O ATOM 0 H ASP A 24 39.003 3.880 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 24 41.298 3.170 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 24 41.572 1.376 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 24 39.973 1.376 -6.321 1.00 0.00 H new ATOM 349 N GLU A 25 43.071 4.424 -6.564 1.00 0.00 N ATOM 350 CA GLU A 25 44.117 5.166 -7.261 1.00 0.00 C ATOM 351 C GLU A 25 44.398 4.566 -8.625 1.00 0.00 C ATOM 352 O GLU A 25 44.140 5.184 -9.657 1.00 0.00 O ATOM 353 CB GLU A 25 45.401 5.214 -6.432 1.00 0.00 C ATOM 354 CG GLU A 25 46.526 5.989 -7.099 1.00 0.00 C ATOM 355 CD GLU A 25 47.894 5.420 -6.774 1.00 0.00 C ATOM 356 OE1 GLU A 25 48.337 4.493 -7.486 1.00 0.00 O ATOM 357 OE2 GLU A 25 48.522 5.900 -5.807 1.00 0.00 O ATOM 0 H GLU A 25 43.272 4.221 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 25 43.757 6.185 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.183 5.667 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.737 4.195 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 25 46.379 5.980 -8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 25 46.484 7.031 -6.781 1.00 0.00 H new ATOM 364 N GLY A 26 44.938 3.366 -8.616 1.00 0.00 N ATOM 365 CA GLY A 26 45.263 2.695 -9.858 1.00 0.00 C ATOM 366 C GLY A 26 44.901 1.221 -9.857 1.00 0.00 C ATOM 367 O GLY A 26 45.664 0.391 -10.352 1.00 0.00 O ATOM 0 H GLY A 26 45.160 2.839 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 26 44.741 3.190 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.331 2.800 -10.051 1.00 0.00 H new ATOM 371 N GLY A 27 43.737 0.892 -9.306 1.00 0.00 N ATOM 372 CA GLY A 27 43.305 -0.493 -9.262 1.00 0.00 C ATOM 373 C GLY A 27 43.991 -1.274 -8.161 1.00 0.00 C ATOM 374 O GLY A 27 44.239 -2.472 -8.296 1.00 0.00 O ATOM 0 H GLY A 27 43.086 1.558 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.226 -0.530 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.510 -0.966 -10.222 1.00 0.00 H new ATOM 378 N TRP A 28 44.290 -0.590 -7.064 1.00 0.00 N ATOM 379 CA TRP A 28 44.939 -1.224 -5.929 1.00 0.00 C ATOM 380 C TRP A 28 43.923 -1.637 -4.873 1.00 0.00 C ATOM 381 O TRP A 28 44.114 -2.636 -4.189 1.00 0.00 O ATOM 382 CB TRP A 28 46.010 -0.315 -5.324 1.00 0.00 C ATOM 383 CG TRP A 28 45.476 0.931 -4.691 1.00 0.00 C ATOM 384 CD1 TRP A 28 45.668 2.201 -5.135 1.00 0.00 C ATOM 385 CD2 TRP A 28 44.680 1.036 -3.503 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.044 3.096 -4.301 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.428 2.405 -3.292 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.152 0.113 -2.598 1.00 0.00 C ATOM 389 CZ2 TRP A 28 43.675 2.868 -2.214 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.404 0.576 -1.531 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.174 1.941 -1.348 1.00 0.00 C ATOM 0 H TRP A 28 44.093 0.403 -6.938 1.00 0.00 H new ATOM 0 HA TRP A 28 45.430 -2.126 -6.295 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.567 -0.878 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 28 46.717 -0.037 -6.105 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.231 2.468 -6.017 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.040 4.110 -4.415 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.325 -0.945 -2.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 43.495 3.923 -2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 42.990 -0.131 -0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.587 2.270 -0.503 1.00 0.00 H new ATOM 402 N LEU A 29 42.835 -0.877 -4.744 1.00 0.00 N ATOM 403 CA LEU A 29 41.798 -1.197 -3.767 1.00 0.00 C ATOM 404 C LEU A 29 41.637 -2.703 -3.627 1.00 0.00 C ATOM 405 O LEU A 29 41.966 -3.281 -2.595 1.00 0.00 O ATOM 406 CB LEU A 29 40.470 -0.549 -4.174 1.00 0.00 C ATOM 407 CG LEU A 29 39.219 -1.151 -3.530 1.00 0.00 C ATOM 408 CD1 LEU A 29 38.772 -0.311 -2.344 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.100 -1.267 -4.554 1.00 0.00 C ATOM 0 H LEU A 29 42.651 -0.042 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 29 42.099 -0.797 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 40.512 0.511 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.369 -0.618 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 29 39.463 -2.150 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.881 -0.755 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 29 39.569 -0.276 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.544 0.701 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.217 -1.697 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.858 -0.278 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.422 -1.910 -5.373 1.00 0.00 H new ATOM 421 N THR A 30 41.131 -3.332 -4.669 1.00 0.00 N ATOM 422 CA THR A 30 40.925 -4.770 -4.653 1.00 0.00 C ATOM 423 C THR A 30 42.204 -5.526 -4.291 1.00 0.00 C ATOM 424 O THR A 30 42.139 -6.629 -3.747 1.00 0.00 O ATOM 425 CB THR A 30 40.411 -5.241 -6.014 1.00 0.00 C ATOM 426 OG1 THR A 30 41.486 -5.465 -6.908 1.00 0.00 O ATOM 427 CG2 THR A 30 39.467 -4.256 -6.667 1.00 0.00 C ATOM 0 H THR A 30 40.855 -2.873 -5.537 1.00 0.00 H new ATOM 0 HA THR A 30 40.183 -4.987 -3.885 1.00 0.00 H new ATOM 0 HB THR A 30 39.868 -6.165 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.136 -5.767 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.139 -4.650 -7.629 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.601 -4.101 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.980 -3.307 -6.820 1.00 0.00 H new ATOM 435 N ARG A 31 43.368 -4.957 -4.614 1.00 0.00 N ATOM 436 CA ARG A 31 44.643 -5.620 -4.337 1.00 0.00 C ATOM 437 C ARG A 31 45.289 -5.162 -3.022 1.00 0.00 C ATOM 438 O ARG A 31 45.417 -5.940 -2.078 1.00 0.00 O ATOM 439 CB ARG A 31 45.613 -5.357 -5.495 1.00 0.00 C ATOM 440 CG ARG A 31 44.928 -4.999 -6.809 1.00 0.00 C ATOM 441 CD ARG A 31 45.429 -5.866 -7.953 1.00 0.00 C ATOM 442 NE ARG A 31 46.776 -5.490 -8.378 1.00 0.00 N ATOM 443 CZ ARG A 31 47.036 -4.693 -9.414 1.00 0.00 C ATOM 444 NH1 ARG A 31 46.048 -4.166 -10.124 1.00 0.00 N ATOM 445 NH2 ARG A 31 48.293 -4.417 -9.737 1.00 0.00 N ATOM 0 H ARG A 31 43.453 -4.046 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 31 44.433 -6.685 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.285 -4.546 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 31 46.229 -6.243 -5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 31 43.850 -5.121 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 31 45.109 -3.949 -7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 31 45.425 -6.911 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 31 44.746 -5.781 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 31 47.566 -5.860 -7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 31 45.079 -4.369 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 31 46.257 -3.557 -10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 31 49.059 -4.815 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 31 48.494 -3.807 -10.530 1.00 0.00 H new ATOM 459 N LEU A 32 45.721 -3.903 -2.989 1.00 0.00 N ATOM 460 CA LEU A 32 46.388 -3.329 -1.818 1.00 0.00 C ATOM 461 C LEU A 32 45.622 -3.610 -0.525 1.00 0.00 C ATOM 462 O LEU A 32 46.189 -4.129 0.436 1.00 0.00 O ATOM 463 CB LEU A 32 46.601 -1.819 -2.032 1.00 0.00 C ATOM 464 CG LEU A 32 46.159 -0.888 -0.893 1.00 0.00 C ATOM 465 CD1 LEU A 32 46.825 -1.274 0.409 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.494 0.558 -1.228 1.00 0.00 C ATOM 0 H LEU A 32 45.620 -3.253 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 32 47.360 -3.810 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.661 -1.649 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.068 -1.526 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 32 45.080 -0.989 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.496 -0.600 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.553 -2.297 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.907 -1.203 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.174 1.204 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 32 47.570 0.659 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.978 0.848 -2.143 1.00 0.00 H new ATOM 478 N LEU A 33 44.341 -3.267 -0.499 1.00 0.00 N ATOM 479 CA LEU A 33 43.518 -3.488 0.688 1.00 0.00 C ATOM 480 C LEU A 33 43.489 -4.967 1.076 1.00 0.00 C ATOM 481 O LEU A 33 43.837 -5.339 2.197 1.00 0.00 O ATOM 482 CB LEU A 33 42.092 -2.978 0.436 1.00 0.00 C ATOM 483 CG LEU A 33 41.706 -1.717 1.208 1.00 0.00 C ATOM 484 CD1 LEU A 33 42.934 -0.868 1.476 1.00 0.00 C ATOM 485 CD2 LEU A 33 40.657 -0.921 0.447 1.00 0.00 C ATOM 0 H LEU A 33 43.849 -2.836 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 33 43.959 -2.934 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 41.977 -2.782 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 41.389 -3.771 0.692 1.00 0.00 H new ATOM 0 HG LEU A 33 41.276 -2.015 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 33 42.644 0.027 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 33 43.651 -1.440 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 43.391 -0.580 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.396 -0.027 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.055 -0.631 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.767 -1.534 0.306 1.00 0.00 H new ATOM 497 N GLN A 34 43.052 -5.793 0.139 1.00 0.00 N ATOM 498 CA GLN A 34 42.936 -7.238 0.339 1.00 0.00 C ATOM 499 C GLN A 34 44.130 -7.855 1.075 1.00 0.00 C ATOM 500 O GLN A 34 44.008 -8.935 1.652 1.00 0.00 O ATOM 501 CB GLN A 34 42.766 -7.907 -1.014 1.00 0.00 C ATOM 502 CG GLN A 34 41.977 -9.204 -0.964 1.00 0.00 C ATOM 503 CD GLN A 34 40.585 -9.063 -1.546 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.279 -9.628 -2.597 1.00 0.00 O ATOM 505 NE2 GLN A 34 39.732 -8.305 -0.866 1.00 0.00 N ATOM 0 H GLN A 34 42.765 -5.483 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 34 42.067 -7.406 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 34 42.265 -7.214 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 34 43.751 -8.108 -1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 42.519 -9.976 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 34 41.902 -9.539 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 34 40.028 -7.856 0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 34 38.781 -8.172 -1.210 1.00 0.00 H new ATOM 514 N THR A 35 45.272 -7.181 1.065 1.00 0.00 N ATOM 515 CA THR A 35 46.450 -7.710 1.754 1.00 0.00 C ATOM 516 C THR A 35 46.418 -7.307 3.223 1.00 0.00 C ATOM 517 O THR A 35 46.260 -8.147 4.110 1.00 0.00 O ATOM 518 CB THR A 35 47.729 -7.196 1.093 1.00 0.00 C ATOM 519 OG1 THR A 35 47.740 -5.781 1.057 1.00 0.00 O ATOM 520 CG2 THR A 35 47.909 -7.693 -0.325 1.00 0.00 C ATOM 0 H THR A 35 45.411 -6.285 0.599 1.00 0.00 H new ATOM 0 HA THR A 35 46.438 -8.798 1.685 1.00 0.00 H new ATOM 0 HB THR A 35 48.546 -7.582 1.703 1.00 0.00 H new ATOM 0 HG1 THR A 35 47.105 -5.466 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 35 48.835 -7.292 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 35 47.953 -8.782 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 35 47.068 -7.364 -0.935 1.00 0.00 H new ATOM 528 N LYS A 36 46.571 -6.016 3.466 1.00 0.00 N ATOM 529 CA LYS A 36 46.566 -5.465 4.820 1.00 0.00 C ATOM 530 C LYS A 36 45.158 -5.450 5.429 1.00 0.00 C ATOM 531 O LYS A 36 44.778 -4.484 6.089 1.00 0.00 O ATOM 532 CB LYS A 36 47.142 -4.049 4.809 1.00 0.00 C ATOM 533 CG LYS A 36 48.602 -3.991 4.388 1.00 0.00 C ATOM 534 CD LYS A 36 48.814 -3.006 3.250 1.00 0.00 C ATOM 535 CE LYS A 36 49.762 -1.889 3.653 1.00 0.00 C ATOM 536 NZ LYS A 36 49.601 -1.514 5.084 1.00 0.00 N ATOM 0 H LYS A 36 46.702 -5.317 2.735 1.00 0.00 H new ATOM 0 HA LYS A 36 47.187 -6.111 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 36 46.552 -3.431 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 36 47.042 -3.617 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 36 49.217 -3.702 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 36 48.932 -4.983 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 36 49.215 -3.531 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 36 47.856 -2.582 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 50.790 -2.203 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 49.581 -1.016 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 49.882 -0.521 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 48.607 -1.633 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 50.202 -2.125 5.673 1.00 0.00 H new ATOM 550 N ASN A 37 44.381 -6.514 5.205 1.00 0.00 N ATOM 551 CA ASN A 37 43.024 -6.589 5.737 1.00 0.00 C ATOM 552 C ASN A 37 42.234 -5.356 5.330 1.00 0.00 C ATOM 553 O ASN A 37 41.621 -4.689 6.164 1.00 0.00 O ATOM 554 CB ASN A 37 43.054 -6.715 7.260 1.00 0.00 C ATOM 555 CG ASN A 37 41.666 -6.862 7.853 1.00 0.00 C ATOM 556 OD1 ASN A 37 41.049 -7.924 7.764 1.00 0.00 O ATOM 557 ND2 ASN A 37 41.168 -5.792 8.462 1.00 0.00 N ATOM 0 H ASN A 37 44.669 -7.328 4.662 1.00 0.00 H new ATOM 0 HA ASN A 37 42.537 -7.473 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.659 -7.578 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 37 43.537 -5.836 7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 37 40.238 -5.830 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 37 41.715 -4.933 8.512 1.00 0.00 H new ATOM 564 N TYR A 38 42.278 -5.049 4.042 1.00 0.00 N ATOM 565 CA TYR A 38 41.592 -3.883 3.515 1.00 0.00 C ATOM 566 C TYR A 38 41.940 -2.658 4.347 1.00 0.00 C ATOM 567 O TYR A 38 41.081 -2.069 5.001 1.00 0.00 O ATOM 568 CB TYR A 38 40.080 -4.103 3.491 1.00 0.00 C ATOM 569 CG TYR A 38 39.494 -4.065 2.099 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.592 -5.163 1.255 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.850 -2.928 1.625 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.065 -5.132 -0.022 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.318 -2.891 0.349 1.00 0.00 C ATOM 574 CZ TYR A 38 38.429 -3.994 -0.469 1.00 0.00 C ATOM 575 OH TYR A 38 37.902 -3.960 -1.741 1.00 0.00 O ATOM 0 H TYR A 38 42.783 -5.594 3.343 1.00 0.00 H new ATOM 0 HA TYR A 38 41.923 -3.720 2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.852 -5.066 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 38 39.599 -3.339 4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.089 -6.057 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 38 38.764 -2.061 2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 38 39.151 -5.995 -0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 38 37.818 -2.002 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 38 37.626 -4.863 -2.005 1.00 0.00 H new ATOM 585 N ASP A 39 43.222 -2.309 4.346 1.00 0.00 N ATOM 586 CA ASP A 39 43.714 -1.180 5.129 1.00 0.00 C ATOM 587 C ASP A 39 43.298 0.163 4.544 1.00 0.00 C ATOM 588 O ASP A 39 43.698 0.532 3.442 1.00 0.00 O ATOM 589 CB ASP A 39 45.236 -1.243 5.245 1.00 0.00 C ATOM 590 CG ASP A 39 45.920 -1.223 3.892 1.00 0.00 C ATOM 591 OD1 ASP A 39 45.362 -1.803 2.939 1.00 0.00 O ATOM 592 OD2 ASP A 39 47.012 -0.627 3.788 1.00 0.00 O ATOM 0 H ASP A 39 43.942 -2.793 3.810 1.00 0.00 H new ATOM 0 HA ASP A 39 43.262 -1.259 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 45.588 -0.400 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 39 45.520 -2.150 5.779 1.00 0.00 H new ATOM 597 N ILE A 40 42.545 0.919 5.325 1.00 0.00 N ATOM 598 CA ILE A 40 42.127 2.240 4.915 1.00 0.00 C ATOM 599 C ILE A 40 43.208 3.205 5.316 1.00 0.00 C ATOM 600 O ILE A 40 43.629 4.062 4.540 1.00 0.00 O ATOM 601 CB ILE A 40 40.800 2.656 5.569 1.00 0.00 C ATOM 602 CG1 ILE A 40 39.841 1.472 5.575 1.00 0.00 C ATOM 603 CG2 ILE A 40 40.191 3.840 4.834 1.00 0.00 C ATOM 604 CD1 ILE A 40 39.359 1.088 4.195 1.00 0.00 C ATOM 0 H ILE A 40 42.213 0.636 6.247 1.00 0.00 H new ATOM 0 HA ILE A 40 41.967 2.242 3.837 1.00 0.00 H new ATOM 0 HB ILE A 40 40.989 2.962 6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 40.336 0.615 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.981 1.713 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 40 39.252 4.121 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 40 40.881 4.683 4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 40 40.003 3.566 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 40 38.680 0.239 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 40 38.836 1.932 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 40 40.213 0.816 3.574 1.00 0.00 H new ATOM 616 N GLY A 41 43.667 3.034 6.545 1.00 0.00 N ATOM 617 CA GLY A 41 44.713 3.871 7.050 1.00 0.00 C ATOM 618 C GLY A 41 45.768 4.116 6.002 1.00 0.00 C ATOM 619 O GLY A 41 46.394 5.175 5.960 1.00 0.00 O ATOM 0 H GLY A 41 43.328 2.327 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 41 44.295 4.823 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 41 45.166 3.404 7.924 1.00 0.00 H new ATOM 623 N ALA A 42 45.942 3.125 5.140 1.00 0.00 N ATOM 624 CA ALA A 42 46.906 3.211 4.053 1.00 0.00 C ATOM 625 C ALA A 42 46.201 3.564 2.758 1.00 0.00 C ATOM 626 O ALA A 42 46.772 4.194 1.868 1.00 0.00 O ATOM 627 CB ALA A 42 47.672 1.905 3.911 1.00 0.00 C ATOM 0 H ALA A 42 45.424 2.247 5.173 1.00 0.00 H new ATOM 0 HA ALA A 42 47.623 3.999 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 48.387 1.990 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 48.204 1.693 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.974 1.095 3.700 1.00 0.00 H new ATOM 633 N ALA A 43 44.948 3.150 2.672 1.00 0.00 N ATOM 634 CA ALA A 43 44.133 3.415 1.494 1.00 0.00 C ATOM 635 C ALA A 43 44.243 4.875 1.078 1.00 0.00 C ATOM 636 O ALA A 43 44.495 5.185 -0.085 1.00 0.00 O ATOM 637 CB ALA A 43 42.680 3.063 1.769 1.00 0.00 C ATOM 0 H ALA A 43 44.470 2.627 3.406 1.00 0.00 H new ATOM 0 HA ALA A 43 44.502 2.793 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 43 42.082 3.266 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.604 2.006 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 43 42.311 3.664 2.600 1.00 0.00 H new ATOM 643 N LEU A 44 44.071 5.766 2.048 1.00 0.00 N ATOM 644 CA LEU A 44 44.164 7.198 1.798 1.00 0.00 C ATOM 645 C LEU A 44 45.538 7.547 1.255 1.00 0.00 C ATOM 646 O LEU A 44 45.664 8.100 0.161 1.00 0.00 O ATOM 647 CB LEU A 44 43.890 7.979 3.087 1.00 0.00 C ATOM 648 CG LEU A 44 42.415 8.282 3.358 1.00 0.00 C ATOM 649 CD1 LEU A 44 41.681 7.019 3.780 1.00 0.00 C ATOM 650 CD2 LEU A 44 42.280 9.366 4.420 1.00 0.00 C ATOM 0 H LEU A 44 43.866 5.520 3.017 1.00 0.00 H new ATOM 0 HA LEU A 44 43.414 7.473 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 44.290 7.413 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 44 44.437 8.921 3.047 1.00 0.00 H new ATOM 0 HG LEU A 44 41.961 8.648 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.633 7.253 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.749 6.276 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 42.133 6.622 4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.224 9.569 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 42.748 9.029 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.771 10.276 4.075 1.00 0.00 H new ATOM 662 N ASP A 45 46.565 7.214 2.023 1.00 0.00 N ATOM 663 CA ASP A 45 47.935 7.482 1.617 1.00 0.00 C ATOM 664 C ASP A 45 48.096 7.283 0.112 1.00 0.00 C ATOM 665 O ASP A 45 48.757 8.072 -0.563 1.00 0.00 O ATOM 666 CB ASP A 45 48.898 6.563 2.373 1.00 0.00 C ATOM 667 CG ASP A 45 50.250 7.211 2.605 1.00 0.00 C ATOM 668 OD1 ASP A 45 51.104 7.142 1.697 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.452 7.785 3.694 1.00 0.00 O ATOM 0 H ASP A 45 46.475 6.758 2.931 1.00 0.00 H new ATOM 0 HA ASP A 45 48.170 8.519 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 45 48.459 6.291 3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 45 49.032 5.639 1.810 1.00 0.00 H new ATOM 674 N THR A 46 47.517 6.199 -0.398 1.00 0.00 N ATOM 675 CA THR A 46 47.622 5.861 -1.815 1.00 0.00 C ATOM 676 C THR A 46 46.598 6.580 -2.700 1.00 0.00 C ATOM 677 O THR A 46 46.941 7.030 -3.793 1.00 0.00 O ATOM 678 CB THR A 46 47.472 4.352 -2.001 1.00 0.00 C ATOM 679 OG1 THR A 46 46.169 3.931 -1.639 1.00 0.00 O ATOM 680 CG2 THR A 46 48.460 3.545 -1.186 1.00 0.00 C ATOM 0 H THR A 46 46.968 5.537 0.151 1.00 0.00 H new ATOM 0 HA THR A 46 48.608 6.199 -2.134 1.00 0.00 H new ATOM 0 HB THR A 46 47.667 4.170 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.624 3.822 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.298 2.482 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.476 3.811 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.319 3.760 -0.127 1.00 0.00 H new ATOM 688 N ILE A 47 45.343 6.672 -2.258 1.00 0.00 N ATOM 689 CA ILE A 47 44.313 7.322 -3.072 1.00 0.00 C ATOM 690 C ILE A 47 44.291 8.833 -2.883 1.00 0.00 C ATOM 691 O ILE A 47 43.296 9.401 -2.431 1.00 0.00 O ATOM 692 CB ILE A 47 42.904 6.761 -2.795 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.695 6.520 -1.299 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.687 5.479 -3.583 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.391 7.078 -0.774 1.00 0.00 C ATOM 0 H ILE A 47 45.019 6.313 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 47 44.584 7.100 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 47 42.169 7.498 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.727 5.448 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.521 6.969 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.689 5.092 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.786 5.686 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 47 43.431 4.739 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.310 6.871 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 47 41.364 8.155 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.558 6.611 -1.299 1.00 0.00 H new ATOM 707 N GLN A 48 45.396 9.473 -3.241 1.00 0.00 N ATOM 708 CA GLN A 48 45.528 10.924 -3.130 1.00 0.00 C ATOM 709 C GLN A 48 46.070 11.306 -1.763 1.00 0.00 C ATOM 710 O GLN A 48 47.197 11.786 -1.642 1.00 0.00 O ATOM 711 CB GLN A 48 44.184 11.617 -3.366 1.00 0.00 C ATOM 712 CG GLN A 48 43.399 11.074 -4.552 1.00 0.00 C ATOM 713 CD GLN A 48 41.903 11.067 -4.299 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.332 12.066 -3.862 1.00 0.00 O ATOM 715 NE2 GLN A 48 41.259 9.938 -4.573 1.00 0.00 N ATOM 0 H GLN A 48 46.223 9.007 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 48 46.229 11.255 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 48 43.575 11.519 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 48 44.359 12.682 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.613 11.678 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 48 43.733 10.060 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.771 9.133 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.252 9.876 -4.422 1.00 0.00 H new ATOM 724 N TYR A 49 45.264 11.084 -0.732 1.00 0.00 N ATOM 725 CA TYR A 49 45.670 11.398 0.624 1.00 0.00 C ATOM 726 C TYR A 49 47.096 10.926 0.864 1.00 0.00 C ATOM 727 O TYR A 49 47.478 9.835 0.445 1.00 0.00 O ATOM 728 CB TYR A 49 44.728 10.737 1.631 1.00 0.00 C ATOM 729 CG TYR A 49 43.498 11.556 1.950 1.00 0.00 C ATOM 730 CD1 TYR A 49 43.605 12.825 2.502 1.00 0.00 C ATOM 731 CD2 TYR A 49 42.227 11.052 1.705 1.00 0.00 C ATOM 732 CE1 TYR A 49 42.480 13.571 2.800 1.00 0.00 C ATOM 733 CE2 TYR A 49 41.097 11.791 2.000 1.00 0.00 C ATOM 734 CZ TYR A 49 41.229 13.048 2.546 1.00 0.00 C ATOM 735 OH TYR A 49 40.105 13.785 2.843 1.00 0.00 O ATOM 0 H TYR A 49 44.327 10.688 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 49 45.623 12.479 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 49 44.416 9.769 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 49 45.275 10.547 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 49 44.583 13.236 2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 49 42.120 10.066 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 49 42.580 14.557 3.229 1.00 0.00 H new ATOM 0 HE2 TYR A 49 40.116 11.385 1.803 1.00 0.00 H new ATOM 0 HH TYR A 49 39.305 13.273 2.602 1.00 0.00 H new ATOM 745 N SER A 50 47.878 11.757 1.534 1.00 0.00 N ATOM 746 CA SER A 50 49.267 11.431 1.831 1.00 0.00 C ATOM 747 C SER A 50 49.562 11.644 3.311 1.00 0.00 C ATOM 748 O SER A 50 50.692 11.958 3.684 1.00 0.00 O ATOM 749 CB SER A 50 50.207 12.285 0.979 1.00 0.00 C ATOM 750 OG SER A 50 50.053 13.662 1.275 1.00 0.00 O ATOM 0 H SER A 50 47.575 12.666 1.884 1.00 0.00 H new ATOM 0 HA SER A 50 49.432 10.381 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.239 11.984 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 50 50.003 12.112 -0.078 1.00 0.00 H new ATOM 0 HG SER A 50 50.666 14.187 0.719 1.00 0.00 H new ATOM 756 N LYS A 51 48.522 11.471 4.135 1.00 0.00 N ATOM 757 CA LYS A 51 48.606 11.636 5.589 1.00 0.00 C ATOM 758 C LYS A 51 47.731 12.796 6.047 1.00 0.00 C ATOM 759 O LYS A 51 48.066 13.963 5.838 1.00 0.00 O ATOM 760 CB LYS A 51 50.046 11.858 6.063 1.00 0.00 C ATOM 761 CG LYS A 51 50.186 11.908 7.575 1.00 0.00 C ATOM 762 CD LYS A 51 51.480 11.257 8.039 1.00 0.00 C ATOM 763 CE LYS A 51 51.263 10.421 9.290 1.00 0.00 C ATOM 764 NZ LYS A 51 52.537 9.844 9.800 1.00 0.00 N ATOM 0 H LYS A 51 47.592 11.211 3.808 1.00 0.00 H new ATOM 0 HA LYS A 51 48.246 10.709 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 51 50.675 11.058 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 51 50.419 12.791 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 51 50.159 12.945 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 51 49.338 11.402 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 51 51.878 10.627 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.225 12.027 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 51 50.808 11.038 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 51 50.562 9.616 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.346 9.281 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 52.959 9.235 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 53.198 10.613 10.033 1.00 0.00 H new ATOM 778 N HIS A 52 46.609 12.466 6.676 1.00 0.00 N ATOM 779 CA HIS A 52 45.680 13.475 7.168 1.00 0.00 C ATOM 780 C HIS A 52 46.430 14.660 7.768 1.00 0.00 C ATOM 781 O HIS A 52 47.134 14.462 8.780 1.00 0.00 O ATOM 782 CB HIS A 52 44.745 12.864 8.213 1.00 0.00 C ATOM 783 CG HIS A 52 43.463 13.617 8.386 1.00 0.00 C ATOM 784 ND1 HIS A 52 43.350 14.984 8.259 1.00 0.00 N ATOM 785 CD2 HIS A 52 42.217 13.165 8.682 1.00 0.00 C ATOM 786 CE1 HIS A 52 42.070 15.313 8.478 1.00 0.00 C ATOM 787 NE2 HIS A 52 41.341 14.245 8.739 1.00 0.00 N ATOM 788 OXT HIS A 52 46.307 15.775 7.220 1.00 0.00 O ATOM 0 H HIS A 52 46.320 11.505 6.857 1.00 0.00 H new ATOM 0 HA HIS A 52 45.089 13.834 6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 52 44.517 11.837 7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 52 45.263 12.821 9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 52 41.949 12.132 8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 52 41.685 16.321 8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 52 40.342 14.217 8.941 1.00 0.00 H new TER 796 HIS A 52