USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 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 39 SER OG : rot 159:sc= 0.0361 USER MOD Set 1.2: A 41 SER OG : rot -67:sc= 0.703 USER MOD Set 1.3: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot -56:sc= 0.537 USER MOD Set 2.2: A 10 CYS SG : rot 180:sc= -0.691 USER MOD Set 2.3: A 19 LYS NZ :NH3+ -153:sc= 0.621 (180deg=-0.0671) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.409 USER MOD Single : A 37 TYR OH : rot 143:sc= -0.962 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0382) USER MOD Single : A 44 LYS NZ :NH3+ -124:sc= -0.0273 (180deg=-0.414) USER MOD Single : A 47 SER OG : rot 104:sc= -0.962! USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -3.91! (180deg=-3.99!) USER MOD Single : A 50 GLN : amide:sc= -14.3! C(o=-14!,f=-22!) USER MOD Single : A 57 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.032) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 172:sc= -0.071 (180deg=-0.0985) USER MOD ----------------------------------------------------------------- ATOM 52 N GLY A 6 -4.258 -1.041 12.921 1.00 0.00 N ATOM 53 CA GLY A 6 -3.305 0.104 12.971 1.00 0.00 C ATOM 54 C GLY A 6 -1.882 -0.423 13.163 1.00 0.00 C ATOM 55 O GLY A 6 -1.126 0.079 13.970 1.00 0.00 O ATOM 0 HA2 GLY A 6 -3.368 0.684 12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.569 0.775 13.789 1.00 0.00 H new ATOM 59 N ARG A 7 -1.511 -1.434 12.427 1.00 0.00 N ATOM 60 CA ARG A 7 -0.133 -1.987 12.559 1.00 0.00 C ATOM 61 C ARG A 7 0.812 -1.234 11.622 1.00 0.00 C ATOM 62 O ARG A 7 0.464 -0.905 10.505 1.00 0.00 O ATOM 63 CB ARG A 7 -0.141 -3.472 12.190 1.00 0.00 C ATOM 64 CG ARG A 7 -1.017 -4.240 13.181 1.00 0.00 C ATOM 65 CD ARG A 7 -1.080 -5.714 12.775 1.00 0.00 C ATOM 66 NE ARG A 7 0.255 -6.342 12.983 1.00 0.00 N ATOM 67 CZ ARG A 7 0.383 -7.639 12.911 1.00 0.00 C ATOM 68 NH1 ARG A 7 -0.657 -8.385 12.655 1.00 0.00 N ATOM 69 NH2 ARG A 7 1.552 -8.191 13.093 1.00 0.00 N ATOM 0 H ARG A 7 -2.102 -1.901 11.740 1.00 0.00 H new ATOM 0 HA ARG A 7 0.207 -1.870 13.588 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.519 -3.604 11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.875 -3.867 12.205 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.611 -4.147 14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.020 -3.815 13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.835 -6.233 13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.377 -5.802 11.730 1.00 0.00 H new ATOM 0 HE ARG A 7 1.068 -5.759 13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.570 -7.955 12.511 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.556 -9.398 12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.366 -7.609 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.652 -9.205 13.037 1.00 0.00 H new ATOM 83 N THR A 8 2.008 -0.959 12.067 1.00 0.00 N ATOM 84 CA THR A 8 2.972 -0.220 11.204 1.00 0.00 C ATOM 85 C THR A 8 4.378 -0.788 11.410 1.00 0.00 C ATOM 86 O THR A 8 4.703 -1.299 12.464 1.00 0.00 O ATOM 87 CB THR A 8 2.962 1.263 11.580 1.00 0.00 C ATOM 88 OG1 THR A 8 3.403 1.413 12.923 1.00 0.00 O ATOM 89 CG2 THR A 8 1.543 1.816 11.443 1.00 0.00 C ATOM 0 H THR A 8 2.359 -1.214 12.990 1.00 0.00 H new ATOM 0 HA THR A 8 2.683 -0.331 10.159 1.00 0.00 H new ATOM 0 HB THR A 8 3.629 1.811 10.915 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.837 0.875 13.515 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.537 2.873 11.711 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.206 1.701 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.874 1.269 12.107 1.00 0.00 H new ATOM 97 N ASP A 9 5.215 -0.703 10.412 1.00 0.00 N ATOM 98 CA ASP A 9 6.599 -1.238 10.553 1.00 0.00 C ATOM 99 C ASP A 9 7.418 -0.305 11.446 1.00 0.00 C ATOM 100 O ASP A 9 7.148 0.877 11.539 1.00 0.00 O ATOM 101 CB ASP A 9 7.253 -1.328 9.173 1.00 0.00 C ATOM 102 CG ASP A 9 6.635 -2.486 8.389 1.00 0.00 C ATOM 103 OD1 ASP A 9 5.874 -3.236 8.978 1.00 0.00 O ATOM 104 OD2 ASP A 9 6.932 -2.604 7.211 1.00 0.00 O ATOM 0 H ASP A 9 5.000 -0.287 9.506 1.00 0.00 H new ATOM 0 HA ASP A 9 6.561 -2.230 11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.113 -0.393 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.328 -1.478 9.277 1.00 0.00 H new ATOM 109 N CYS A 10 8.417 -0.824 12.105 1.00 0.00 N ATOM 110 CA CYS A 10 9.253 0.035 12.991 1.00 0.00 C ATOM 111 C CYS A 10 10.609 0.283 12.328 1.00 0.00 C ATOM 112 O CYS A 10 11.371 -0.632 12.091 1.00 0.00 O ATOM 113 CB CYS A 10 9.462 -0.670 14.334 1.00 0.00 C ATOM 114 SG CYS A 10 7.880 -0.795 15.203 1.00 0.00 S ATOM 0 H CYS A 10 8.691 -1.806 12.068 1.00 0.00 H new ATOM 0 HA CYS A 10 8.750 0.988 13.155 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.880 -1.664 14.174 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.179 -0.116 14.940 1.00 0.00 H new ATOM 0 HG CYS A 10 8.057 -1.396 16.342 1.00 0.00 H new ATOM 120 N PRO A 11 10.902 1.520 12.033 1.00 0.00 N ATOM 121 CA PRO A 11 12.179 1.911 11.369 1.00 0.00 C ATOM 122 C PRO A 11 13.373 1.850 12.327 1.00 0.00 C ATOM 123 O PRO A 11 14.494 1.614 11.923 1.00 0.00 O ATOM 124 CB PRO A 11 11.930 3.351 10.919 1.00 0.00 C ATOM 125 CG PRO A 11 10.882 3.882 11.841 1.00 0.00 C ATOM 126 CD PRO A 11 10.044 2.683 12.301 1.00 0.00 C ATOM 0 HA PRO A 11 12.432 1.237 10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.842 3.944 10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.595 3.386 9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.337 4.385 12.694 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.258 4.617 11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.791 2.756 13.359 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.104 2.620 11.752 1.00 0.00 H new ATOM 134 N ALA A 12 13.141 2.060 13.594 1.00 0.00 N ATOM 135 CA ALA A 12 14.263 2.014 14.574 1.00 0.00 C ATOM 136 C ALA A 12 14.517 0.564 14.990 1.00 0.00 C ATOM 137 O ALA A 12 15.458 0.268 15.701 1.00 0.00 O ATOM 138 CB ALA A 12 13.896 2.842 15.808 1.00 0.00 C ATOM 0 H ALA A 12 12.224 2.261 13.993 1.00 0.00 H new ATOM 0 HA ALA A 12 15.163 2.424 14.116 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.716 2.809 16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.714 3.875 15.512 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.996 2.432 16.267 1.00 0.00 H new ATOM 144 N LEU A 13 13.687 -0.344 14.554 1.00 0.00 N ATOM 145 CA LEU A 13 13.883 -1.774 14.926 1.00 0.00 C ATOM 146 C LEU A 13 14.049 -2.613 13.658 1.00 0.00 C ATOM 147 O LEU A 13 13.502 -2.299 12.619 1.00 0.00 O ATOM 148 CB LEU A 13 12.665 -2.268 15.709 1.00 0.00 C ATOM 149 CG LEU A 13 12.877 -2.007 17.201 1.00 0.00 C ATOM 150 CD1 LEU A 13 12.918 -0.500 17.457 1.00 0.00 C ATOM 151 CD2 LEU A 13 11.723 -2.625 17.994 1.00 0.00 C ATOM 0 H LEU A 13 12.882 -0.157 13.956 1.00 0.00 H new ATOM 0 HA LEU A 13 14.776 -1.870 15.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.766 -1.757 15.364 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.514 -3.333 15.533 1.00 0.00 H new ATOM 0 HG LEU A 13 13.819 -2.454 17.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.069 -0.316 18.521 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.738 -0.057 16.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.976 -0.052 17.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.872 -2.440 19.058 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.782 -2.176 17.676 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.692 -3.699 17.813 1.00 0.00 H new ATOM 163 N PRO A 14 14.802 -3.675 13.748 1.00 0.00 N ATOM 164 CA PRO A 14 15.050 -4.590 12.597 1.00 0.00 C ATOM 165 C PRO A 14 13.787 -4.824 11.762 1.00 0.00 C ATOM 166 O PRO A 14 12.687 -4.857 12.278 1.00 0.00 O ATOM 167 CB PRO A 14 15.503 -5.896 13.253 1.00 0.00 C ATOM 168 CG PRO A 14 16.074 -5.502 14.577 1.00 0.00 C ATOM 169 CD PRO A 14 15.501 -4.118 14.963 1.00 0.00 C ATOM 0 HA PRO A 14 15.783 -4.176 11.905 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.667 -6.584 13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.247 -6.405 12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.820 -6.243 15.335 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.162 -5.461 14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.821 -4.189 15.812 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.291 -3.423 15.245 1.00 0.00 H new ATOM 177 N PRO A 15 13.951 -4.984 10.477 1.00 0.00 N ATOM 178 CA PRO A 15 12.817 -5.225 9.541 1.00 0.00 C ATOM 179 C PRO A 15 11.885 -6.337 10.033 1.00 0.00 C ATOM 180 O PRO A 15 12.309 -7.444 10.295 1.00 0.00 O ATOM 181 CB PRO A 15 13.502 -5.639 8.239 1.00 0.00 C ATOM 182 CG PRO A 15 14.870 -5.044 8.302 1.00 0.00 C ATOM 183 CD PRO A 15 15.244 -4.953 9.777 1.00 0.00 C ATOM 0 HA PRO A 15 12.183 -4.344 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.550 -6.724 8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.953 -5.271 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.585 -5.662 7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.884 -4.058 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 15 15.881 -5.785 10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 15 15.793 -4.036 9.993 1.00 0.00 H new ATOM 191 N GLY A 16 10.618 -6.049 10.161 1.00 0.00 N ATOM 192 CA GLY A 16 9.660 -7.094 10.620 1.00 0.00 C ATOM 193 C GLY A 16 8.953 -6.615 11.889 1.00 0.00 C ATOM 194 O GLY A 16 7.807 -6.938 12.132 1.00 0.00 O ATOM 0 H GLY A 16 10.206 -5.136 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.928 -7.300 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.189 -8.027 10.815 1.00 0.00 H new ATOM 198 N TRP A 17 9.627 -5.848 12.701 1.00 0.00 N ATOM 199 CA TRP A 17 8.997 -5.361 13.961 1.00 0.00 C ATOM 200 C TRP A 17 7.754 -4.535 13.623 1.00 0.00 C ATOM 201 O TRP A 17 7.769 -3.710 12.732 1.00 0.00 O ATOM 202 CB TRP A 17 9.995 -4.490 14.726 1.00 0.00 C ATOM 203 CG TRP A 17 10.809 -5.349 15.640 1.00 0.00 C ATOM 204 CD1 TRP A 17 11.983 -5.936 15.312 1.00 0.00 C ATOM 205 CD2 TRP A 17 10.533 -5.728 17.019 1.00 0.00 C ATOM 206 NE1 TRP A 17 12.445 -6.652 16.402 1.00 0.00 N ATOM 207 CE2 TRP A 17 11.586 -6.554 17.479 1.00 0.00 C ATOM 208 CE3 TRP A 17 9.481 -5.437 17.907 1.00 0.00 C ATOM 209 CZ2 TRP A 17 11.596 -7.073 18.775 1.00 0.00 C ATOM 210 CZ3 TRP A 17 9.488 -5.959 19.212 1.00 0.00 C ATOM 211 CH2 TRP A 17 10.542 -6.775 19.643 1.00 0.00 C ATOM 0 H TRP A 17 10.586 -5.537 12.547 1.00 0.00 H new ATOM 0 HA TRP A 17 8.711 -6.213 14.578 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.646 -3.965 14.027 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.465 -3.730 15.300 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.479 -5.858 14.356 1.00 0.00 H new ATOM 0 HE1 TRP A 17 13.314 -7.187 16.409 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.664 -4.809 17.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 12.412 -7.700 19.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.676 -5.730 19.886 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.540 -7.174 20.647 1.00 0.00 H new ATOM 222 N LYS A 18 6.678 -4.751 14.330 1.00 0.00 N ATOM 223 CA LYS A 18 5.435 -3.980 14.046 1.00 0.00 C ATOM 224 C LYS A 18 4.911 -3.364 15.345 1.00 0.00 C ATOM 225 O LYS A 18 5.160 -3.861 16.424 1.00 0.00 O ATOM 226 CB LYS A 18 4.376 -4.916 13.461 1.00 0.00 C ATOM 227 CG LYS A 18 4.786 -5.332 12.047 1.00 0.00 C ATOM 228 CD LYS A 18 3.719 -6.254 11.456 1.00 0.00 C ATOM 229 CE LYS A 18 4.121 -6.656 10.036 1.00 0.00 C ATOM 230 NZ LYS A 18 3.117 -7.611 9.487 1.00 0.00 N ATOM 0 H LYS A 18 6.606 -5.427 15.091 1.00 0.00 H new ATOM 0 HA LYS A 18 5.654 -3.188 13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.266 -5.797 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.407 -4.417 13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.908 -4.450 11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.749 -5.842 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.605 -7.142 12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.753 -5.748 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.184 -5.773 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.110 -7.115 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.390 -7.885 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.078 -8.458 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.181 -7.158 9.467 1.00 0.00 H new ATOM 244 N LYS A 19 4.184 -2.283 15.249 1.00 0.00 N ATOM 245 CA LYS A 19 3.646 -1.637 16.478 1.00 0.00 C ATOM 246 C LYS A 19 2.265 -1.047 16.182 1.00 0.00 C ATOM 247 O LYS A 19 1.972 -0.657 15.069 1.00 0.00 O ATOM 248 CB LYS A 19 4.591 -0.521 16.926 1.00 0.00 C ATOM 249 CG LYS A 19 4.581 0.603 15.888 1.00 0.00 C ATOM 250 CD LYS A 19 5.557 1.702 16.315 1.00 0.00 C ATOM 251 CE LYS A 19 5.382 2.922 15.408 1.00 0.00 C ATOM 252 NZ LYS A 19 5.893 2.605 14.045 1.00 0.00 N ATOM 0 H LYS A 19 3.940 -1.821 14.373 1.00 0.00 H new ATOM 0 HA LYS A 19 3.562 -2.381 17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.281 -0.136 17.898 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.602 -0.912 17.045 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.863 0.212 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.576 1.013 15.790 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.377 1.979 17.354 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.582 1.336 16.256 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.330 3.203 15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.920 3.775 15.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.204 3.481 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.696 1.948 14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.136 2.164 13.484 1.00 0.00 H new ATOM 266 N GLU A 20 1.414 -0.979 17.169 1.00 0.00 N ATOM 267 CA GLU A 20 0.053 -0.416 16.942 1.00 0.00 C ATOM 268 C GLU A 20 -0.213 0.697 17.958 1.00 0.00 C ATOM 269 O GLU A 20 0.370 0.730 19.024 1.00 0.00 O ATOM 270 CB GLU A 20 -0.990 -1.522 17.113 1.00 0.00 C ATOM 271 CG GLU A 20 -2.386 -0.954 16.843 1.00 0.00 C ATOM 272 CD GLU A 20 -3.424 -2.071 16.964 1.00 0.00 C ATOM 273 OE1 GLU A 20 -3.067 -3.136 17.439 1.00 0.00 O ATOM 274 OE2 GLU A 20 -4.559 -1.841 16.580 1.00 0.00 O ATOM 0 H GLU A 20 1.602 -1.289 18.122 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.010 -0.010 15.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.781 -2.343 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.941 -1.930 18.123 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.609 -0.157 17.552 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.425 -0.514 15.847 1.00 0.00 H new ATOM 281 N GLU A 21 -1.089 1.610 17.636 1.00 0.00 N ATOM 282 CA GLU A 21 -1.395 2.716 18.587 1.00 0.00 C ATOM 283 C GLU A 21 -2.904 2.776 18.831 1.00 0.00 C ATOM 284 O GLU A 21 -3.676 3.068 17.939 1.00 0.00 O ATOM 285 CB GLU A 21 -0.920 4.044 17.994 1.00 0.00 C ATOM 286 CG GLU A 21 -1.162 5.169 19.003 1.00 0.00 C ATOM 287 CD GLU A 21 -0.650 6.490 18.427 1.00 0.00 C ATOM 288 OE1 GLU A 21 -0.356 6.524 17.244 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.563 7.447 19.180 1.00 0.00 O ATOM 0 H GLU A 21 -1.605 1.638 16.757 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.882 2.536 19.532 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.140 3.985 17.746 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.454 4.252 17.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.225 5.247 19.229 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.652 4.947 19.940 1.00 0.00 H new ATOM 296 N VAL A 22 -3.331 2.502 20.033 1.00 0.00 N ATOM 297 CA VAL A 22 -4.791 2.539 20.332 1.00 0.00 C ATOM 298 C VAL A 22 -5.085 3.698 21.288 1.00 0.00 C ATOM 299 O VAL A 22 -4.430 3.864 22.298 1.00 0.00 O ATOM 300 CB VAL A 22 -5.212 1.222 20.984 1.00 0.00 C ATOM 301 CG1 VAL A 22 -6.618 1.367 21.569 1.00 0.00 C ATOM 302 CG2 VAL A 22 -5.211 0.111 19.931 1.00 0.00 C ATOM 0 H VAL A 22 -2.733 2.254 20.821 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.348 2.680 19.406 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.512 0.971 21.781 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.917 0.428 22.034 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.621 2.159 22.318 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.319 1.618 20.773 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.511 -0.829 20.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.912 0.363 19.135 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.210 0.007 19.513 1.00 0.00 H new ATOM 312 N ILE A 23 -6.065 4.501 20.977 1.00 0.00 N ATOM 313 CA ILE A 23 -6.400 5.647 21.869 1.00 0.00 C ATOM 314 C ILE A 23 -7.648 5.309 22.688 1.00 0.00 C ATOM 315 O ILE A 23 -8.615 4.783 22.173 1.00 0.00 O ATOM 316 CB ILE A 23 -6.668 6.892 21.022 1.00 0.00 C ATOM 317 CG1 ILE A 23 -5.416 7.235 20.212 1.00 0.00 C ATOM 318 CG2 ILE A 23 -7.021 8.066 21.936 1.00 0.00 C ATOM 319 CD1 ILE A 23 -5.744 8.341 19.207 1.00 0.00 C ATOM 0 H ILE A 23 -6.648 4.413 20.145 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.565 5.839 22.542 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.499 6.698 20.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.617 7.560 20.878 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.055 6.350 19.689 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.212 8.953 21.332 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.912 7.822 22.514 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.191 8.261 22.615 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.852 8.585 18.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.529 7.999 18.533 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.085 9.228 19.741 1.00 0.00 H new ATOM 331 N ARG A 24 -7.633 5.605 23.958 1.00 0.00 N ATOM 332 CA ARG A 24 -8.814 5.290 24.810 1.00 0.00 C ATOM 333 C ARG A 24 -10.088 5.773 24.115 1.00 0.00 C ATOM 334 O ARG A 24 -10.370 6.953 24.064 1.00 0.00 O ATOM 335 CB ARG A 24 -8.671 5.995 26.160 1.00 0.00 C ATOM 336 CG ARG A 24 -8.283 4.974 27.231 1.00 0.00 C ATOM 337 CD ARG A 24 -6.787 4.673 27.133 1.00 0.00 C ATOM 338 NE ARG A 24 -6.519 3.306 27.661 1.00 0.00 N ATOM 339 CZ ARG A 24 -6.828 3.011 28.894 1.00 0.00 C ATOM 340 NH1 ARG A 24 -7.381 3.912 29.661 1.00 0.00 N ATOM 341 NH2 ARG A 24 -6.587 1.816 29.361 1.00 0.00 N ATOM 0 H ARG A 24 -6.854 6.051 24.443 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.872 4.213 24.967 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.913 6.776 26.096 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.608 6.482 26.429 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.522 5.362 28.221 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.858 4.057 27.100 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.458 4.745 26.096 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.219 5.411 27.699 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.094 2.601 27.059 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.571 4.845 29.296 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.623 3.682 30.625 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.157 1.112 28.762 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.829 1.587 30.325 1.00 0.00 H new ATOM 355 N LYS A 25 -10.862 4.869 23.579 1.00 0.00 N ATOM 356 CA LYS A 25 -12.123 5.275 22.897 1.00 0.00 C ATOM 357 C LYS A 25 -13.251 5.366 23.926 1.00 0.00 C ATOM 358 O LYS A 25 -14.281 5.961 23.680 1.00 0.00 O ATOM 359 CB LYS A 25 -12.485 4.236 21.833 1.00 0.00 C ATOM 360 CG LYS A 25 -11.248 3.913 20.992 1.00 0.00 C ATOM 361 CD LYS A 25 -11.597 2.839 19.961 1.00 0.00 C ATOM 362 CE LYS A 25 -10.335 2.430 19.200 1.00 0.00 C ATOM 363 NZ LYS A 25 -10.698 1.486 18.107 1.00 0.00 N ATOM 0 H LYS A 25 -10.675 3.866 23.584 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.984 6.247 22.423 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.862 3.330 22.308 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.282 4.616 21.195 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.892 4.812 20.489 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.439 3.566 21.635 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.032 1.971 20.457 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.347 3.217 19.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.845 3.311 18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.624 1.960 19.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.840 1.208 17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.147 0.640 18.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.361 1.950 17.454 1.00 0.00 H new ATOM 377 N SER A 26 -13.066 4.781 25.077 1.00 0.00 N ATOM 378 CA SER A 26 -14.143 4.802 26.107 1.00 0.00 C ATOM 379 C SER A 26 -13.735 5.730 27.253 1.00 0.00 C ATOM 380 O SER A 26 -12.621 5.681 27.737 1.00 0.00 O ATOM 381 CB SER A 26 -14.360 3.388 26.646 1.00 0.00 C ATOM 382 OG SER A 26 -14.741 2.532 25.577 1.00 0.00 O ATOM 0 H SER A 26 -12.215 4.289 25.349 1.00 0.00 H new ATOM 0 HA SER A 26 -15.068 5.165 25.659 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.447 3.020 27.114 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.132 3.394 27.415 1.00 0.00 H new ATOM 0 HG SER A 26 -14.879 1.624 25.918 1.00 0.00 H new ATOM 388 N GLY A 27 -14.627 6.575 27.692 1.00 0.00 N ATOM 389 CA GLY A 27 -14.300 7.482 28.827 1.00 0.00 C ATOM 390 C GLY A 27 -14.166 8.917 28.312 1.00 0.00 C ATOM 391 O GLY A 27 -13.605 9.161 27.263 1.00 0.00 O ATOM 0 H GLY A 27 -15.569 6.676 27.313 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.081 7.428 29.586 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.371 7.167 29.302 1.00 0.00 H new ATOM 395 N LEU A 28 -14.678 9.869 29.043 1.00 0.00 N ATOM 396 CA LEU A 28 -14.579 11.287 28.594 1.00 0.00 C ATOM 397 C LEU A 28 -13.125 11.753 28.698 1.00 0.00 C ATOM 398 O LEU A 28 -12.658 12.542 27.900 1.00 0.00 O ATOM 399 CB LEU A 28 -15.461 12.166 29.483 1.00 0.00 C ATOM 400 CG LEU A 28 -15.390 13.615 28.999 1.00 0.00 C ATOM 401 CD1 LEU A 28 -15.853 13.691 27.543 1.00 0.00 C ATOM 402 CD2 LEU A 28 -16.300 14.487 29.867 1.00 0.00 C ATOM 0 H LEU A 28 -15.160 9.727 29.931 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.913 11.366 27.560 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -16.492 11.812 29.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -15.130 12.101 30.520 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.363 13.972 29.073 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.802 14.724 27.199 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.207 13.069 26.923 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.880 13.334 27.469 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -16.250 15.520 29.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -17.327 14.129 29.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.972 14.434 30.905 1.00 0.00 H new ATOM 414 N SER A 29 -12.406 11.272 29.676 1.00 0.00 N ATOM 415 CA SER A 29 -10.983 11.688 29.829 1.00 0.00 C ATOM 416 C SER A 29 -10.191 11.260 28.593 1.00 0.00 C ATOM 417 O SER A 29 -8.992 11.067 28.648 1.00 0.00 O ATOM 418 CB SER A 29 -10.390 11.024 31.071 1.00 0.00 C ATOM 419 OG SER A 29 -11.148 11.400 32.213 1.00 0.00 O ATOM 0 H SER A 29 -12.742 10.610 30.375 1.00 0.00 H new ATOM 0 HA SER A 29 -10.930 12.771 29.936 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.397 9.940 30.956 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.350 11.324 31.196 1.00 0.00 H new ATOM 0 HG SER A 29 -10.771 10.974 33.011 1.00 0.00 H new ATOM 425 N ALA A 30 -10.850 11.110 27.477 1.00 0.00 N ATOM 426 CA ALA A 30 -10.137 10.671 26.244 1.00 0.00 C ATOM 427 C ALA A 30 -8.790 11.391 26.149 1.00 0.00 C ATOM 428 O ALA A 30 -8.620 12.480 26.661 1.00 0.00 O ATOM 429 CB ALA A 30 -10.984 11.010 25.016 1.00 0.00 C ATOM 0 H ALA A 30 -11.851 11.272 27.365 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.971 9.594 26.285 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.462 10.689 24.114 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.943 10.497 25.083 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.151 12.086 24.975 1.00 0.00 H new ATOM 435 N GLY A 31 -7.831 10.792 25.498 1.00 0.00 N ATOM 436 CA GLY A 31 -6.497 11.443 25.371 1.00 0.00 C ATOM 437 C GLY A 31 -5.405 10.468 25.815 1.00 0.00 C ATOM 438 O GLY A 31 -4.255 10.601 25.451 1.00 0.00 O ATOM 0 H GLY A 31 -7.914 9.880 25.049 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.327 11.749 24.339 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.462 12.346 25.981 1.00 0.00 H new ATOM 442 N LYS A 32 -5.759 9.486 26.600 1.00 0.00 N ATOM 443 CA LYS A 32 -4.749 8.479 27.032 1.00 0.00 C ATOM 444 C LYS A 32 -4.663 7.362 25.990 1.00 0.00 C ATOM 445 O LYS A 32 -5.665 6.846 25.535 1.00 0.00 O ATOM 446 CB LYS A 32 -5.165 7.887 28.381 1.00 0.00 C ATOM 447 CG LYS A 32 -5.033 8.953 29.470 1.00 0.00 C ATOM 448 CD LYS A 32 -5.470 8.368 30.815 1.00 0.00 C ATOM 449 CE LYS A 32 -5.274 9.414 31.914 1.00 0.00 C ATOM 450 NZ LYS A 32 -5.692 8.841 33.224 1.00 0.00 N ATOM 0 H LYS A 32 -6.702 9.338 26.960 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.776 8.960 27.130 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.193 7.529 28.331 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.539 7.027 28.621 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.001 9.300 29.531 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.647 9.819 29.222 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.516 8.065 30.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.889 7.474 31.041 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.229 9.722 31.956 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.860 10.306 31.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.559 9.551 33.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.695 8.568 33.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.114 8.003 33.436 1.00 0.00 H new ATOM 464 N SER A 33 -3.474 6.986 25.607 1.00 0.00 N ATOM 465 CA SER A 33 -3.326 5.941 24.556 1.00 0.00 C ATOM 466 C SER A 33 -2.193 4.986 24.941 1.00 0.00 C ATOM 467 O SER A 33 -1.332 5.317 25.731 1.00 0.00 O ATOM 468 CB SER A 33 -2.999 6.605 23.218 1.00 0.00 C ATOM 469 OG SER A 33 -1.713 7.206 23.295 1.00 0.00 O ATOM 0 H SER A 33 -2.599 7.357 25.977 1.00 0.00 H new ATOM 0 HA SER A 33 -4.258 5.383 24.467 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.021 5.866 22.417 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.751 7.357 22.978 1.00 0.00 H new ATOM 0 HG SER A 33 -1.499 7.631 22.438 1.00 0.00 H new ATOM 475 N ASP A 34 -2.189 3.804 24.389 1.00 0.00 N ATOM 476 CA ASP A 34 -1.110 2.831 24.720 1.00 0.00 C ATOM 477 C ASP A 34 -0.479 2.311 23.428 1.00 0.00 C ATOM 478 O ASP A 34 -1.137 2.171 22.416 1.00 0.00 O ATOM 479 CB ASP A 34 -1.703 1.660 25.505 1.00 0.00 C ATOM 480 CG ASP A 34 -0.573 0.800 26.074 1.00 0.00 C ATOM 481 OD1 ASP A 34 0.566 1.030 25.698 1.00 0.00 O ATOM 482 OD2 ASP A 34 -0.863 -0.073 26.874 1.00 0.00 O ATOM 0 H ASP A 34 -2.886 3.470 23.723 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.348 3.324 25.324 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.333 2.032 26.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.340 1.059 24.856 1.00 0.00 H new ATOM 487 N VAL A 35 0.794 2.023 23.452 1.00 0.00 N ATOM 488 CA VAL A 35 1.469 1.523 22.219 1.00 0.00 C ATOM 489 C VAL A 35 1.910 0.075 22.431 1.00 0.00 C ATOM 490 O VAL A 35 2.489 -0.267 23.443 1.00 0.00 O ATOM 491 CB VAL A 35 2.692 2.392 21.921 1.00 0.00 C ATOM 492 CG1 VAL A 35 3.367 1.899 20.639 1.00 0.00 C ATOM 493 CG2 VAL A 35 2.251 3.846 21.737 1.00 0.00 C ATOM 0 H VAL A 35 1.396 2.112 24.271 1.00 0.00 H new ATOM 0 HA VAL A 35 0.776 1.571 21.379 1.00 0.00 H new ATOM 0 HB VAL A 35 3.395 2.327 22.751 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.239 2.518 20.426 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.680 0.863 20.768 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.664 1.965 19.809 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.122 4.466 21.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.548 3.911 20.906 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.769 4.198 22.649 1.00 0.00 H new ATOM 503 N TYR A 36 1.643 -0.781 21.483 1.00 0.00 N ATOM 504 CA TYR A 36 2.052 -2.206 21.627 1.00 0.00 C ATOM 505 C TYR A 36 3.086 -2.551 20.553 1.00 0.00 C ATOM 506 O TYR A 36 3.052 -2.030 19.457 1.00 0.00 O ATOM 507 CB TYR A 36 0.826 -3.108 21.464 1.00 0.00 C ATOM 508 CG TYR A 36 -0.348 -2.500 22.192 1.00 0.00 C ATOM 509 CD1 TYR A 36 -0.325 -2.393 23.588 1.00 0.00 C ATOM 510 CD2 TYR A 36 -1.458 -2.045 21.473 1.00 0.00 C ATOM 511 CE1 TYR A 36 -1.415 -1.829 24.264 1.00 0.00 C ATOM 512 CE2 TYR A 36 -2.548 -1.481 22.148 1.00 0.00 C ATOM 513 CZ TYR A 36 -2.525 -1.373 23.544 1.00 0.00 C ATOM 514 OH TYR A 36 -3.599 -0.818 24.211 1.00 0.00 O ATOM 0 H TYR A 36 1.159 -0.554 20.614 1.00 0.00 H new ATOM 0 HA TYR A 36 2.488 -2.361 22.614 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.589 -3.229 20.407 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.037 -4.102 21.859 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.532 -2.745 24.143 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.475 -2.129 20.396 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.399 -1.746 25.341 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.405 -1.130 21.593 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.285 -0.552 23.563 1.00 0.00 H new ATOM 524 N TYR A 37 4.004 -3.426 20.859 1.00 0.00 N ATOM 525 CA TYR A 37 5.038 -3.803 19.855 1.00 0.00 C ATOM 526 C TYR A 37 5.026 -5.320 19.653 1.00 0.00 C ATOM 527 O TYR A 37 4.910 -6.079 20.594 1.00 0.00 O ATOM 528 CB TYR A 37 6.417 -3.366 20.354 1.00 0.00 C ATOM 529 CG TYR A 37 6.497 -1.858 20.356 1.00 0.00 C ATOM 530 CD1 TYR A 37 6.098 -1.137 21.488 1.00 0.00 C ATOM 531 CD2 TYR A 37 6.969 -1.180 19.226 1.00 0.00 C ATOM 532 CE1 TYR A 37 6.172 0.261 21.490 1.00 0.00 C ATOM 533 CE2 TYR A 37 7.044 0.218 19.228 1.00 0.00 C ATOM 534 CZ TYR A 37 6.645 0.938 20.360 1.00 0.00 C ATOM 535 OH TYR A 37 6.718 2.317 20.362 1.00 0.00 O ATOM 0 H TYR A 37 4.083 -3.896 21.761 1.00 0.00 H new ATOM 0 HA TYR A 37 4.821 -3.309 18.908 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.591 -3.751 21.359 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.196 -3.781 19.714 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.733 -1.660 22.360 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.275 -1.736 18.352 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.864 0.817 22.363 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.410 0.741 18.356 1.00 0.00 H new ATOM 0 HH TYR A 37 7.519 2.603 19.875 1.00 0.00 H new ATOM 545 N PHE A 38 5.144 -5.766 18.433 1.00 0.00 N ATOM 546 CA PHE A 38 5.145 -7.234 18.174 1.00 0.00 C ATOM 547 C PHE A 38 6.523 -7.661 17.662 1.00 0.00 C ATOM 548 O PHE A 38 7.064 -7.073 16.747 1.00 0.00 O ATOM 549 CB PHE A 38 4.084 -7.567 17.123 1.00 0.00 C ATOM 550 CG PHE A 38 2.712 -7.483 17.747 1.00 0.00 C ATOM 551 CD1 PHE A 38 2.035 -6.258 17.786 1.00 0.00 C ATOM 552 CD2 PHE A 38 2.117 -8.629 18.287 1.00 0.00 C ATOM 553 CE1 PHE A 38 0.763 -6.180 18.364 1.00 0.00 C ATOM 554 CE2 PHE A 38 0.845 -8.551 18.865 1.00 0.00 C ATOM 555 CZ PHE A 38 0.167 -7.327 18.904 1.00 0.00 C ATOM 0 H PHE A 38 5.240 -5.178 17.605 1.00 0.00 H new ATOM 0 HA PHE A 38 4.920 -7.766 19.098 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.157 -6.874 16.285 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.253 -8.567 16.725 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.494 -5.374 17.370 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.640 -9.574 18.258 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.241 -5.235 18.394 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.386 -9.436 19.281 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.815 -7.267 19.350 1.00 0.00 H new ATOM 565 N SER A 39 7.093 -8.680 18.244 1.00 0.00 N ATOM 566 CA SER A 39 8.432 -9.145 17.789 1.00 0.00 C ATOM 567 C SER A 39 8.263 -10.125 16.626 1.00 0.00 C ATOM 568 O SER A 39 7.187 -10.634 16.383 1.00 0.00 O ATOM 569 CB SER A 39 9.150 -9.843 18.944 1.00 0.00 C ATOM 570 OG SER A 39 9.729 -11.053 18.475 1.00 0.00 O ATOM 0 H SER A 39 6.688 -9.211 19.015 1.00 0.00 H new ATOM 0 HA SER A 39 9.021 -8.289 17.460 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.922 -9.192 19.354 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.448 -10.051 19.751 1.00 0.00 H new ATOM 0 HG SER A 39 10.450 -11.327 19.080 1.00 0.00 H new ATOM 576 N PRO A 40 9.326 -10.386 15.915 1.00 0.00 N ATOM 577 CA PRO A 40 9.323 -11.354 14.783 1.00 0.00 C ATOM 578 C PRO A 40 8.897 -12.758 15.223 1.00 0.00 C ATOM 579 O PRO A 40 8.381 -13.534 14.442 1.00 0.00 O ATOM 580 CB PRO A 40 10.775 -11.359 14.306 1.00 0.00 C ATOM 581 CG PRO A 40 11.565 -10.784 15.434 1.00 0.00 C ATOM 582 CD PRO A 40 10.652 -9.782 16.117 1.00 0.00 C ATOM 0 HA PRO A 40 8.612 -11.069 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.107 -12.370 14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.893 -10.764 13.400 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.877 -11.564 16.129 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.471 -10.300 15.069 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.891 -9.667 17.174 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.722 -8.792 15.665 1.00 0.00 H new ATOM 590 N SER A 41 9.111 -13.091 16.466 1.00 0.00 N ATOM 591 CA SER A 41 8.699 -14.436 16.958 1.00 0.00 C ATOM 592 C SER A 41 7.176 -14.487 17.089 1.00 0.00 C ATOM 593 O SER A 41 6.570 -15.536 16.994 1.00 0.00 O ATOM 594 CB SER A 41 9.337 -14.696 18.323 1.00 0.00 C ATOM 595 OG SER A 41 8.908 -13.697 19.240 1.00 0.00 O ATOM 0 H SER A 41 9.553 -12.490 17.162 1.00 0.00 H new ATOM 0 HA SER A 41 9.028 -15.198 16.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.056 -15.684 18.686 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.424 -14.685 18.237 1.00 0.00 H new ATOM 0 HG SER A 41 9.281 -12.830 18.977 1.00 0.00 H new ATOM 601 N GLY A 42 6.551 -13.362 17.305 1.00 0.00 N ATOM 602 CA GLY A 42 5.065 -13.343 17.417 1.00 0.00 C ATOM 603 C GLY A 42 4.665 -13.000 18.853 1.00 0.00 C ATOM 604 O GLY A 42 3.498 -12.948 19.186 1.00 0.00 O ATOM 0 H GLY A 42 7.005 -12.455 17.409 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.647 -12.610 16.727 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.656 -14.314 17.137 1.00 0.00 H new ATOM 608 N LYS A 43 5.623 -12.765 19.707 1.00 0.00 N ATOM 609 CA LYS A 43 5.295 -12.415 21.117 1.00 0.00 C ATOM 610 C LYS A 43 4.730 -10.994 21.173 1.00 0.00 C ATOM 611 O LYS A 43 5.179 -10.110 20.472 1.00 0.00 O ATOM 612 CB LYS A 43 6.564 -12.492 21.970 1.00 0.00 C ATOM 613 CG LYS A 43 6.213 -12.221 23.434 1.00 0.00 C ATOM 614 CD LYS A 43 5.348 -13.363 23.972 1.00 0.00 C ATOM 615 CE LYS A 43 5.451 -13.408 25.497 1.00 0.00 C ATOM 616 NZ LYS A 43 4.837 -12.178 26.072 1.00 0.00 N ATOM 0 H LYS A 43 6.619 -12.800 19.489 1.00 0.00 H new ATOM 0 HA LYS A 43 4.554 -13.116 21.502 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.022 -13.476 21.871 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.295 -11.763 21.620 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.123 -12.130 24.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.680 -11.274 23.522 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.310 -13.220 23.671 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.675 -14.312 23.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.945 -14.294 25.881 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.496 -13.482 25.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.768 -12.275 27.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.428 -11.354 25.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.886 -12.046 25.673 1.00 0.00 H new ATOM 630 N LYS A 44 3.747 -10.769 22.001 1.00 0.00 N ATOM 631 CA LYS A 44 3.137 -9.411 22.082 1.00 0.00 C ATOM 632 C LYS A 44 3.727 -8.659 23.275 1.00 0.00 C ATOM 633 O LYS A 44 3.957 -9.224 24.326 1.00 0.00 O ATOM 634 CB LYS A 44 1.623 -9.542 22.258 1.00 0.00 C ATOM 635 CG LYS A 44 0.990 -8.150 22.293 1.00 0.00 C ATOM 636 CD LYS A 44 -0.534 -8.281 22.312 1.00 0.00 C ATOM 637 CE LYS A 44 -1.166 -6.889 22.311 1.00 0.00 C ATOM 638 NZ LYS A 44 -0.888 -6.215 23.611 1.00 0.00 N ATOM 0 H LYS A 44 3.340 -11.466 22.625 1.00 0.00 H new ATOM 0 HA LYS A 44 3.349 -8.861 21.165 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.200 -10.125 21.439 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.399 -10.078 23.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.330 -7.607 23.175 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.305 -7.574 21.423 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.872 -8.846 21.443 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.851 -8.835 23.195 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.764 -6.296 21.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.242 -6.967 22.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.785 -5.927 24.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.387 -6.872 24.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.298 -5.375 23.447 1.00 0.00 H new ATOM 652 N PHE A 45 3.974 -7.386 23.124 1.00 0.00 N ATOM 653 CA PHE A 45 4.542 -6.598 24.253 1.00 0.00 C ATOM 654 C PHE A 45 3.748 -5.300 24.420 1.00 0.00 C ATOM 655 O PHE A 45 2.967 -4.926 23.569 1.00 0.00 O ATOM 656 CB PHE A 45 6.006 -6.265 23.958 1.00 0.00 C ATOM 657 CG PHE A 45 6.793 -7.545 23.805 1.00 0.00 C ATOM 658 CD1 PHE A 45 6.776 -8.504 24.825 1.00 0.00 C ATOM 659 CD2 PHE A 45 7.538 -7.773 22.642 1.00 0.00 C ATOM 660 CE1 PHE A 45 7.504 -9.690 24.683 1.00 0.00 C ATOM 661 CE2 PHE A 45 8.268 -8.959 22.501 1.00 0.00 C ATOM 662 CZ PHE A 45 8.251 -9.918 23.520 1.00 0.00 C ATOM 0 H PHE A 45 3.807 -6.858 22.267 1.00 0.00 H new ATOM 0 HA PHE A 45 4.480 -7.183 25.171 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.078 -5.670 23.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.423 -5.664 24.766 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.201 -8.328 25.722 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.550 -7.034 21.854 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.490 -10.430 25.470 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.845 -9.134 21.605 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.813 -10.833 23.410 1.00 0.00 H new ATOM 672 N ARG A 46 3.944 -4.610 25.510 1.00 0.00 N ATOM 673 CA ARG A 46 3.200 -3.339 25.731 1.00 0.00 C ATOM 674 C ARG A 46 4.095 -2.348 26.478 1.00 0.00 C ATOM 675 O ARG A 46 4.555 -2.614 27.572 1.00 0.00 O ATOM 676 CB ARG A 46 1.946 -3.619 26.561 1.00 0.00 C ATOM 677 CG ARG A 46 1.260 -4.883 26.040 1.00 0.00 C ATOM 678 CD ARG A 46 -0.075 -5.075 26.763 1.00 0.00 C ATOM 679 NE ARG A 46 0.177 -5.330 28.210 1.00 0.00 N ATOM 680 CZ ARG A 46 -0.813 -5.292 29.060 1.00 0.00 C ATOM 681 NH1 ARG A 46 -2.021 -5.030 28.643 1.00 0.00 N ATOM 682 NH2 ARG A 46 -0.593 -5.514 30.326 1.00 0.00 N ATOM 0 H ARG A 46 4.587 -4.872 26.257 1.00 0.00 H new ATOM 0 HA ARG A 46 2.911 -2.915 24.769 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.212 -3.743 27.611 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.263 -2.772 26.504 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.095 -4.803 24.965 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.901 -5.750 26.201 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.697 -4.188 26.642 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.621 -5.910 26.325 1.00 0.00 H new ATOM 0 HE ARG A 46 1.122 -5.534 28.536 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.192 -4.855 27.653 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.795 -5.000 29.307 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.352 -5.717 30.651 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.366 -5.484 30.991 1.00 0.00 H new ATOM 696 N SER A 47 4.347 -1.207 25.898 1.00 0.00 N ATOM 697 CA SER A 47 5.167 -0.179 26.598 1.00 0.00 C ATOM 698 C SER A 47 6.637 -0.348 26.210 1.00 0.00 C ATOM 699 O SER A 47 7.072 -1.419 25.839 1.00 0.00 O ATOM 700 CB SER A 47 5.016 -0.350 28.110 1.00 0.00 C ATOM 701 OG SER A 47 3.697 -0.792 28.403 1.00 0.00 O ATOM 0 H SER A 47 4.020 -0.942 24.969 1.00 0.00 H new ATOM 0 HA SER A 47 4.827 0.815 26.309 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.744 -1.071 28.481 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.216 0.594 28.616 1.00 0.00 H new ATOM 0 HG SER A 47 3.712 -1.749 28.611 1.00 0.00 H new ATOM 707 N LYS A 48 7.407 0.703 26.292 1.00 0.00 N ATOM 708 CA LYS A 48 8.837 0.613 25.885 1.00 0.00 C ATOM 709 C LYS A 48 9.584 -0.315 26.846 1.00 0.00 C ATOM 710 O LYS A 48 10.402 -1.115 26.438 1.00 0.00 O ATOM 711 CB LYS A 48 9.467 2.007 25.931 1.00 0.00 C ATOM 712 CG LYS A 48 10.723 2.028 25.056 1.00 0.00 C ATOM 713 CD LYS A 48 11.950 1.721 25.917 1.00 0.00 C ATOM 714 CE LYS A 48 12.487 3.018 26.524 1.00 0.00 C ATOM 715 NZ LYS A 48 11.352 3.946 26.793 1.00 0.00 N ATOM 0 H LYS A 48 7.107 1.620 26.623 1.00 0.00 H new ATOM 0 HA LYS A 48 8.903 0.216 24.872 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.753 2.752 25.579 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.722 2.269 26.958 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.634 1.293 24.256 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.833 3.003 24.582 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.686 1.019 26.708 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.721 1.244 25.312 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.024 2.805 27.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.199 3.484 25.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.710 4.808 27.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.890 4.198 25.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.664 3.480 27.418 1.00 0.00 H new ATOM 729 N PRO A 49 9.299 -0.203 28.115 1.00 0.00 N ATOM 730 CA PRO A 49 9.936 -1.051 29.163 1.00 0.00 C ATOM 731 C PRO A 49 9.835 -2.545 28.843 1.00 0.00 C ATOM 732 O PRO A 49 10.717 -3.318 29.163 1.00 0.00 O ATOM 733 CB PRO A 49 9.143 -0.720 30.428 1.00 0.00 C ATOM 734 CG PRO A 49 8.580 0.644 30.200 1.00 0.00 C ATOM 735 CD PRO A 49 8.335 0.748 28.687 1.00 0.00 C ATOM 0 HA PRO A 49 11.004 -0.850 29.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.350 -1.449 30.596 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.784 -0.738 31.309 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.653 0.783 30.757 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.273 1.415 30.538 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.310 0.484 28.428 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.506 1.761 28.322 1.00 0.00 H new ATOM 743 N GLN A 50 8.768 -2.957 28.217 1.00 0.00 N ATOM 744 CA GLN A 50 8.621 -4.397 27.861 1.00 0.00 C ATOM 745 C GLN A 50 9.479 -4.711 26.633 1.00 0.00 C ATOM 746 O GLN A 50 10.203 -5.687 26.603 1.00 0.00 O ATOM 747 CB GLN A 50 7.154 -4.698 27.549 1.00 0.00 C ATOM 748 CG GLN A 50 6.902 -6.201 27.686 1.00 0.00 C ATOM 749 CD GLN A 50 7.966 -6.972 26.901 1.00 0.00 C ATOM 750 OE1 GLN A 50 8.231 -6.668 25.755 1.00 0.00 O ATOM 751 NE2 GLN A 50 8.591 -7.964 27.475 1.00 0.00 N ATOM 0 H GLN A 50 7.991 -2.359 27.936 1.00 0.00 H new ATOM 0 HA GLN A 50 8.948 -5.013 28.699 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.506 -4.146 28.230 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.911 -4.368 26.539 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.929 -6.491 28.736 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.909 -6.449 27.313 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.368 -8.219 28.437 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.302 -8.484 26.961 1.00 0.00 H new ATOM 760 N LEU A 51 9.402 -3.894 25.619 1.00 0.00 N ATOM 761 CA LEU A 51 10.235 -4.130 24.407 1.00 0.00 C ATOM 762 C LEU A 51 11.716 -3.987 24.768 1.00 0.00 C ATOM 763 O LEU A 51 12.543 -4.779 24.363 1.00 0.00 O ATOM 764 CB LEU A 51 9.872 -3.105 23.331 1.00 0.00 C ATOM 765 CG LEU A 51 10.881 -3.187 22.185 1.00 0.00 C ATOM 766 CD1 LEU A 51 10.930 -4.619 21.649 1.00 0.00 C ATOM 767 CD2 LEU A 51 10.455 -2.239 21.063 1.00 0.00 C ATOM 0 H LEU A 51 8.798 -3.073 25.578 1.00 0.00 H new ATOM 0 HA LEU A 51 10.049 -5.135 24.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.866 -3.295 22.958 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.870 -2.101 23.756 1.00 0.00 H new ATOM 0 HG LEU A 51 11.868 -2.901 22.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.649 -4.677 20.832 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.232 -5.296 22.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.943 -4.905 21.285 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.174 -2.297 20.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.468 -2.526 20.700 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.419 -1.218 21.443 1.00 0.00 H new ATOM 779 N ALA A 52 12.056 -2.982 25.528 1.00 0.00 N ATOM 780 CA ALA A 52 13.483 -2.788 25.913 1.00 0.00 C ATOM 781 C ALA A 52 14.014 -4.063 26.572 1.00 0.00 C ATOM 782 O ALA A 52 15.104 -4.515 26.282 1.00 0.00 O ATOM 783 CB ALA A 52 13.590 -1.624 26.900 1.00 0.00 C ATOM 0 H ALA A 52 11.408 -2.287 25.899 1.00 0.00 H new ATOM 0 HA ALA A 52 14.072 -2.567 25.022 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.633 -1.481 27.182 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.213 -0.715 26.432 1.00 0.00 H new ATOM 0 HB3 ALA A 52 13.000 -1.846 27.790 1.00 0.00 H new ATOM 789 N ARG A 53 13.254 -4.644 27.459 1.00 0.00 N ATOM 790 CA ARG A 53 13.716 -5.887 28.137 1.00 0.00 C ATOM 791 C ARG A 53 13.892 -7.002 27.104 1.00 0.00 C ATOM 792 O ARG A 53 14.799 -7.805 27.192 1.00 0.00 O ATOM 793 CB ARG A 53 12.679 -6.314 29.179 1.00 0.00 C ATOM 794 CG ARG A 53 12.710 -5.339 30.357 1.00 0.00 C ATOM 795 CD ARG A 53 11.591 -5.687 31.340 1.00 0.00 C ATOM 796 NE ARG A 53 11.857 -7.025 31.940 1.00 0.00 N ATOM 797 CZ ARG A 53 11.151 -7.434 32.958 1.00 0.00 C ATOM 798 NH1 ARG A 53 10.206 -6.675 33.445 1.00 0.00 N ATOM 799 NH2 ARG A 53 11.385 -8.602 33.488 1.00 0.00 N ATOM 0 H ARG A 53 12.333 -4.311 27.743 1.00 0.00 H new ATOM 0 HA ARG A 53 14.670 -5.698 28.629 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.685 -6.331 28.733 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.890 -7.326 29.525 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.677 -5.389 30.858 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.589 -4.317 29.999 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.531 -4.931 32.123 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.629 -5.691 30.827 1.00 0.00 H new ATOM 0 HE ARG A 53 12.590 -7.620 31.555 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.020 -5.762 33.029 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.654 -6.995 34.241 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.121 -9.197 33.107 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.832 -8.921 34.284 1.00 0.00 H new ATOM 813 N TYR A 54 13.030 -7.058 26.126 1.00 0.00 N ATOM 814 CA TYR A 54 13.145 -8.129 25.096 1.00 0.00 C ATOM 815 C TYR A 54 14.455 -7.959 24.325 1.00 0.00 C ATOM 816 O TYR A 54 15.201 -8.899 24.133 1.00 0.00 O ATOM 817 CB TYR A 54 11.967 -8.031 24.124 1.00 0.00 C ATOM 818 CG TYR A 54 12.045 -9.158 23.123 1.00 0.00 C ATOM 819 CD1 TYR A 54 11.601 -10.438 23.473 1.00 0.00 C ATOM 820 CD2 TYR A 54 12.563 -8.922 21.843 1.00 0.00 C ATOM 821 CE1 TYR A 54 11.674 -11.483 22.544 1.00 0.00 C ATOM 822 CE2 TYR A 54 12.636 -9.967 20.914 1.00 0.00 C ATOM 823 CZ TYR A 54 12.191 -11.247 21.264 1.00 0.00 C ATOM 824 OH TYR A 54 12.263 -12.278 20.348 1.00 0.00 O ATOM 0 H TYR A 54 12.253 -6.410 25.996 1.00 0.00 H new ATOM 0 HA TYR A 54 13.135 -9.103 25.584 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.025 -8.081 24.671 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.986 -7.071 23.609 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.202 -10.620 24.460 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.906 -7.934 21.573 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.332 -12.471 22.814 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.036 -9.785 19.927 1.00 0.00 H new ATOM 0 HH TYR A 54 12.645 -11.944 19.509 1.00 0.00 H new ATOM 834 N LEU A 55 14.742 -6.766 23.880 1.00 0.00 N ATOM 835 CA LEU A 55 16.003 -6.538 23.117 1.00 0.00 C ATOM 836 C LEU A 55 17.204 -6.718 24.047 1.00 0.00 C ATOM 837 O LEU A 55 18.289 -7.051 23.616 1.00 0.00 O ATOM 838 CB LEU A 55 16.005 -5.117 22.550 1.00 0.00 C ATOM 839 CG LEU A 55 14.883 -4.977 21.520 1.00 0.00 C ATOM 840 CD1 LEU A 55 14.821 -3.530 21.025 1.00 0.00 C ATOM 841 CD2 LEU A 55 15.158 -5.908 20.338 1.00 0.00 C ATOM 0 H LEU A 55 14.159 -5.940 24.011 1.00 0.00 H new ATOM 0 HA LEU A 55 16.067 -7.256 22.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.868 -4.393 23.353 1.00 0.00 H new ATOM 0 HB3 LEU A 55 16.968 -4.900 22.087 1.00 0.00 H new ATOM 0 HG LEU A 55 13.932 -5.244 21.981 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.021 -3.431 20.291 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.626 -2.866 21.867 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.772 -3.262 20.564 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.359 -5.809 19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.109 -5.641 19.878 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.202 -6.939 20.689 1.00 0.00 H new ATOM 853 N GLY A 56 17.020 -6.500 25.320 1.00 0.00 N ATOM 854 CA GLY A 56 18.150 -6.670 26.276 1.00 0.00 C ATOM 855 C GLY A 56 19.193 -5.577 26.035 1.00 0.00 C ATOM 856 O GLY A 56 18.869 -4.410 25.928 1.00 0.00 O ATOM 0 H GLY A 56 16.136 -6.212 25.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.784 -6.618 27.301 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.603 -7.653 26.149 1.00 0.00 H new ATOM 860 N ASN A 57 20.442 -5.943 25.949 1.00 0.00 N ATOM 861 CA ASN A 57 21.502 -4.923 25.709 1.00 0.00 C ATOM 862 C ASN A 57 22.007 -5.043 24.270 1.00 0.00 C ATOM 863 O ASN A 57 23.173 -4.840 23.991 1.00 0.00 O ATOM 864 CB ASN A 57 22.664 -5.158 26.677 1.00 0.00 C ATOM 865 CG ASN A 57 22.210 -4.846 28.104 1.00 0.00 C ATOM 866 OD1 ASN A 57 22.820 -5.287 29.058 1.00 0.00 O ATOM 867 ND2 ASN A 57 21.156 -4.100 28.293 1.00 0.00 N ATOM 0 H ASN A 57 20.775 -6.903 26.034 1.00 0.00 H new ATOM 0 HA ASN A 57 21.091 -3.926 25.869 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.004 -6.191 26.610 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.510 -4.526 26.407 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.845 -3.888 29.241 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.643 -3.729 27.493 1.00 0.00 H new ATOM 874 N ALA A 58 21.140 -5.371 23.351 1.00 0.00 N ATOM 875 CA ALA A 58 21.574 -5.512 21.933 1.00 0.00 C ATOM 876 C ALA A 58 21.187 -4.253 21.154 1.00 0.00 C ATOM 877 O ALA A 58 21.753 -3.950 20.123 1.00 0.00 O ATOM 878 CB ALA A 58 20.888 -6.729 21.308 1.00 0.00 C ATOM 0 H ALA A 58 20.150 -5.547 23.521 1.00 0.00 H new ATOM 0 HA ALA A 58 22.655 -5.645 21.895 1.00 0.00 H new ATOM 0 HB1 ALA A 58 21.205 -6.833 20.270 1.00 0.00 H new ATOM 0 HB2 ALA A 58 21.163 -7.626 21.863 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.807 -6.596 21.345 1.00 0.00 H new ATOM 884 N VAL A 59 20.225 -3.516 21.640 1.00 0.00 N ATOM 885 CA VAL A 59 19.800 -2.280 20.924 1.00 0.00 C ATOM 886 C VAL A 59 19.394 -1.215 21.945 1.00 0.00 C ATOM 887 O VAL A 59 18.886 -1.519 23.005 1.00 0.00 O ATOM 888 CB VAL A 59 18.609 -2.600 20.019 1.00 0.00 C ATOM 889 CG1 VAL A 59 17.979 -1.297 19.524 1.00 0.00 C ATOM 890 CG2 VAL A 59 19.087 -3.421 18.820 1.00 0.00 C ATOM 0 H VAL A 59 19.716 -3.716 22.501 1.00 0.00 H new ATOM 0 HA VAL A 59 20.626 -1.907 20.319 1.00 0.00 H new ATOM 0 HB VAL A 59 17.870 -3.171 20.581 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.130 -1.525 18.879 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.639 -0.710 20.377 1.00 0.00 H new ATOM 0 HG13 VAL A 59 18.718 -0.726 18.962 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.239 -3.650 18.174 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.826 -2.849 18.259 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.537 -4.350 19.171 1.00 0.00 H new ATOM 900 N ASP A 60 19.614 0.034 21.633 1.00 0.00 N ATOM 901 CA ASP A 60 19.236 1.117 22.584 1.00 0.00 C ATOM 902 C ASP A 60 17.982 1.829 22.073 1.00 0.00 C ATOM 903 O ASP A 60 17.968 2.384 20.993 1.00 0.00 O ATOM 904 CB ASP A 60 20.385 2.121 22.696 1.00 0.00 C ATOM 905 CG ASP A 60 21.542 1.490 23.471 1.00 0.00 C ATOM 906 OD1 ASP A 60 21.308 0.499 24.144 1.00 0.00 O ATOM 907 OD2 ASP A 60 22.643 2.008 23.379 1.00 0.00 O ATOM 0 H ASP A 60 20.039 0.350 20.761 1.00 0.00 H new ATOM 0 HA ASP A 60 19.034 0.686 23.565 1.00 0.00 H new ATOM 0 HB2 ASP A 60 20.719 2.419 21.702 1.00 0.00 H new ATOM 0 HB3 ASP A 60 20.044 3.024 23.202 1.00 0.00 H new ATOM 912 N LEU A 61 16.928 1.820 22.843 1.00 0.00 N ATOM 913 CA LEU A 61 15.676 2.497 22.400 1.00 0.00 C ATOM 914 C LEU A 61 15.544 3.842 23.119 1.00 0.00 C ATOM 915 O LEU A 61 14.483 4.434 23.158 1.00 0.00 O ATOM 916 CB LEU A 61 14.472 1.616 22.739 1.00 0.00 C ATOM 917 CG LEU A 61 14.587 0.285 21.995 1.00 0.00 C ATOM 918 CD1 LEU A 61 13.414 -0.618 22.377 1.00 0.00 C ATOM 919 CD2 LEU A 61 14.563 0.541 20.487 1.00 0.00 C ATOM 0 H LEU A 61 16.880 1.374 23.759 1.00 0.00 H new ATOM 0 HA LEU A 61 15.712 2.662 21.323 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.427 1.441 23.814 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.548 2.122 22.460 1.00 0.00 H new ATOM 0 HG LEU A 61 15.523 -0.203 22.267 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.497 -1.566 21.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.431 -0.801 23.451 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.477 -0.131 22.106 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.645 -0.407 19.956 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.627 1.029 20.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 15.400 1.184 20.214 1.00 0.00 H new ATOM 931 N SER A 62 16.611 4.328 23.690 1.00 0.00 N ATOM 932 CA SER A 62 16.542 5.626 24.417 1.00 0.00 C ATOM 933 C SER A 62 16.143 6.736 23.442 1.00 0.00 C ATOM 934 O SER A 62 15.314 7.572 23.744 1.00 0.00 O ATOM 935 CB SER A 62 17.910 5.946 25.021 1.00 0.00 C ATOM 936 OG SER A 62 17.949 7.318 25.395 1.00 0.00 O ATOM 0 H SER A 62 17.528 3.882 23.684 1.00 0.00 H new ATOM 0 HA SER A 62 15.801 5.557 25.213 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.093 5.315 25.891 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.698 5.731 24.299 1.00 0.00 H new ATOM 0 HG SER A 62 18.824 7.526 25.784 1.00 0.00 H new ATOM 942 N CYS A 63 16.726 6.751 22.275 1.00 0.00 N ATOM 943 CA CYS A 63 16.370 7.798 21.277 1.00 0.00 C ATOM 944 C CYS A 63 14.994 7.490 20.683 1.00 0.00 C ATOM 945 O CYS A 63 14.250 8.380 20.321 1.00 0.00 O ATOM 946 CB CYS A 63 17.415 7.817 20.161 1.00 0.00 C ATOM 947 SG CYS A 63 19.018 8.307 20.843 1.00 0.00 S ATOM 0 H CYS A 63 17.434 6.083 21.970 1.00 0.00 H new ATOM 0 HA CYS A 63 16.345 8.772 21.766 1.00 0.00 H new ATOM 0 HB2 CYS A 63 17.489 6.832 19.701 1.00 0.00 H new ATOM 0 HB3 CYS A 63 17.113 8.512 19.378 1.00 0.00 H new ATOM 0 HG CYS A 63 19.907 8.321 19.895 1.00 0.00 H new ATOM 953 N PHE A 64 14.649 6.236 20.580 1.00 0.00 N ATOM 954 CA PHE A 64 13.322 5.872 20.011 1.00 0.00 C ATOM 955 C PHE A 64 12.224 6.209 21.021 1.00 0.00 C ATOM 956 O PHE A 64 12.206 5.700 22.125 1.00 0.00 O ATOM 957 CB PHE A 64 13.292 4.373 19.704 1.00 0.00 C ATOM 958 CG PHE A 64 11.890 3.967 19.315 1.00 0.00 C ATOM 959 CD1 PHE A 64 11.367 4.357 18.076 1.00 0.00 C ATOM 960 CD2 PHE A 64 11.115 3.200 20.192 1.00 0.00 C ATOM 961 CE1 PHE A 64 10.068 3.980 17.716 1.00 0.00 C ATOM 962 CE2 PHE A 64 9.816 2.824 19.832 1.00 0.00 C ATOM 963 CZ PHE A 64 9.292 3.213 18.593 1.00 0.00 C ATOM 0 H PHE A 64 15.230 5.448 20.866 1.00 0.00 H new ATOM 0 HA PHE A 64 13.154 6.434 19.092 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.986 4.142 18.896 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.618 3.806 20.576 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.965 4.948 17.399 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.519 2.898 21.147 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.664 4.281 16.761 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.217 2.234 20.510 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.290 2.922 18.314 1.00 0.00 H new ATOM 973 N ASP A 65 11.307 7.061 20.654 1.00 0.00 N ATOM 974 CA ASP A 65 10.202 7.415 21.587 1.00 0.00 C ATOM 975 C ASP A 65 8.958 6.596 21.241 1.00 0.00 C ATOM 976 O ASP A 65 8.328 6.805 20.224 1.00 0.00 O ATOM 977 CB ASP A 65 9.882 8.906 21.458 1.00 0.00 C ATOM 978 CG ASP A 65 8.930 9.324 22.579 1.00 0.00 C ATOM 979 OD1 ASP A 65 8.330 8.447 23.178 1.00 0.00 O ATOM 980 OD2 ASP A 65 8.815 10.515 22.819 1.00 0.00 O ATOM 0 H ASP A 65 11.276 7.527 19.747 1.00 0.00 H new ATOM 0 HA ASP A 65 10.508 7.196 22.610 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.800 9.491 21.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.429 9.109 20.488 1.00 0.00 H new ATOM 985 N PHE A 66 8.598 5.662 22.080 1.00 0.00 N ATOM 986 CA PHE A 66 7.402 4.823 21.792 1.00 0.00 C ATOM 987 C PHE A 66 6.149 5.701 21.801 1.00 0.00 C ATOM 988 O PHE A 66 5.298 5.595 20.940 1.00 0.00 O ATOM 989 CB PHE A 66 7.271 3.737 22.862 1.00 0.00 C ATOM 990 CG PHE A 66 6.801 4.358 24.155 1.00 0.00 C ATOM 991 CD1 PHE A 66 7.718 4.988 25.004 1.00 0.00 C ATOM 992 CD2 PHE A 66 5.446 4.304 24.506 1.00 0.00 C ATOM 993 CE1 PHE A 66 7.282 5.564 26.203 1.00 0.00 C ATOM 994 CE2 PHE A 66 5.010 4.879 25.705 1.00 0.00 C ATOM 995 CZ PHE A 66 5.929 5.509 26.554 1.00 0.00 C ATOM 0 H PHE A 66 9.081 5.445 22.952 1.00 0.00 H new ATOM 0 HA PHE A 66 7.512 4.357 20.813 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.565 2.973 22.535 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.230 3.242 23.012 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.763 5.030 24.734 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.738 3.818 23.851 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.990 6.051 26.857 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.965 4.837 25.976 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.593 5.952 27.480 1.00 0.00 H new ATOM 1005 N ARG A 67 6.028 6.568 22.768 1.00 0.00 N ATOM 1006 CA ARG A 67 4.821 7.440 22.841 1.00 0.00 C ATOM 1007 C ARG A 67 4.542 8.040 21.461 1.00 0.00 C ATOM 1008 O ARG A 67 3.410 8.110 21.022 1.00 0.00 O ATOM 1009 CB ARG A 67 5.066 8.567 23.847 1.00 0.00 C ATOM 1010 CG ARG A 67 3.761 9.329 24.088 1.00 0.00 C ATOM 1011 CD ARG A 67 2.918 8.582 25.123 1.00 0.00 C ATOM 1012 NE ARG A 67 2.224 7.439 24.467 1.00 0.00 N ATOM 1013 CZ ARG A 67 1.708 6.485 25.193 1.00 0.00 C ATOM 1014 NH1 ARG A 67 1.799 6.533 26.495 1.00 0.00 N ATOM 1015 NH2 ARG A 67 1.101 5.482 24.619 1.00 0.00 N ATOM 0 H ARG A 67 6.712 6.711 23.511 1.00 0.00 H new ATOM 0 HA ARG A 67 3.963 6.848 23.160 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.438 8.156 24.786 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.831 9.245 23.470 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.976 10.338 24.439 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.207 9.427 23.154 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.553 8.220 25.932 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.188 9.257 25.569 1.00 0.00 H new ATOM 0 HE ARG A 67 2.152 7.402 23.450 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.273 7.316 26.945 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.396 5.787 27.062 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.030 5.443 23.602 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.698 4.737 25.187 1.00 0.00 H new ATOM 1029 N THR A 68 5.562 8.473 20.774 1.00 0.00 N ATOM 1030 CA THR A 68 5.353 9.070 19.424 1.00 0.00 C ATOM 1031 C THR A 68 5.893 8.116 18.357 1.00 0.00 C ATOM 1032 O THR A 68 5.746 8.347 17.173 1.00 0.00 O ATOM 1033 CB THR A 68 6.094 10.407 19.337 1.00 0.00 C ATOM 1034 OG1 THR A 68 7.415 10.247 19.834 1.00 0.00 O ATOM 1035 CG2 THR A 68 5.356 11.457 20.170 1.00 0.00 C ATOM 0 H THR A 68 6.532 8.440 21.088 1.00 0.00 H new ATOM 0 HA THR A 68 4.288 9.234 19.259 1.00 0.00 H new ATOM 0 HB THR A 68 6.134 10.734 18.298 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.891 11.102 19.778 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.884 12.408 20.107 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.343 11.579 19.787 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.314 11.133 21.210 1.00 0.00 H new ATOM 1043 N GLY A 69 6.518 7.047 18.765 1.00 0.00 N ATOM 1044 CA GLY A 69 7.074 6.084 17.772 1.00 0.00 C ATOM 1045 C GLY A 69 8.068 6.805 16.860 1.00 0.00 C ATOM 1046 O GLY A 69 8.226 6.465 15.705 1.00 0.00 O ATOM 0 H GLY A 69 6.668 6.798 19.743 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.569 5.260 18.287 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.268 5.652 17.179 1.00 0.00 H new ATOM 1050 N LYS A 70 8.741 7.800 17.371 1.00 0.00 N ATOM 1051 CA LYS A 70 9.725 8.542 16.533 1.00 0.00 C ATOM 1052 C LYS A 70 11.132 8.344 17.100 1.00 0.00 C ATOM 1053 O LYS A 70 11.304 8.016 18.258 1.00 0.00 O ATOM 1054 CB LYS A 70 9.377 10.032 16.538 1.00 0.00 C ATOM 1055 CG LYS A 70 8.035 10.247 15.835 1.00 0.00 C ATOM 1056 CD LYS A 70 8.220 10.098 14.324 1.00 0.00 C ATOM 1057 CE LYS A 70 6.917 10.465 13.612 1.00 0.00 C ATOM 1058 NZ LYS A 70 7.097 10.318 12.140 1.00 0.00 N ATOM 0 H LYS A 70 8.652 8.131 18.332 1.00 0.00 H new ATOM 0 HA LYS A 70 9.690 8.164 15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.326 10.401 17.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.159 10.600 16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.304 9.524 16.195 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.645 11.238 16.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.029 10.743 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.504 9.074 14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.108 9.821 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.634 11.489 13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.211 10.567 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.858 10.950 11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.348 9.334 11.918 1.00 0.00 H new ATOM 1072 N MET A 71 12.139 8.540 16.295 1.00 0.00 N ATOM 1073 CA MET A 71 13.534 8.371 16.792 1.00 0.00 C ATOM 1074 C MET A 71 14.298 9.685 16.625 1.00 0.00 C ATOM 1075 O MET A 71 14.272 10.301 15.577 1.00 0.00 O ATOM 1076 CB MET A 71 14.231 7.270 15.990 1.00 0.00 C ATOM 1077 CG MET A 71 15.529 6.869 16.694 1.00 0.00 C ATOM 1078 SD MET A 71 16.231 5.413 15.880 1.00 0.00 S ATOM 1079 CE MET A 71 16.861 4.601 17.370 1.00 0.00 C ATOM 0 H MET A 71 12.057 8.810 15.315 1.00 0.00 H new ATOM 0 HA MET A 71 13.513 8.095 17.846 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.575 6.405 15.894 1.00 0.00 H new ATOM 0 HB3 MET A 71 14.446 7.621 14.981 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.241 7.694 16.665 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.334 6.653 17.744 1.00 0.00 H new ATOM 0 HE1 MET A 71 17.216 3.602 17.117 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.684 5.185 17.782 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.063 4.526 18.109 1.00 0.00 H new