USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 31 SER OG : rot 42:sc= 0.701 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -151:sc= 0.0138 (180deg=0) USER MOD Set 2.1: A 24 SER OG : rot 63:sc= 1.19 USER MOD Set 2.2: A 28 CYS SG : rot 180:sc= -0.817 USER MOD Single : A 8 CYS SG : rot 38:sc= -0.778 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.68! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 10:sc= -0.227 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 37 SER OG : rot 160:sc= -0.481 USER MOD Single : A 39 THR OG1 : rot -41:sc= 0.819 USER MOD Single : A 45 SER OG : rot -45:sc= 1.22 USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -0.307 (180deg=-1.04) USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.858 USER MOD Single : A 52 TYR OH : rot 101:sc= 0.109 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 66 GLN : amide:sc= -0.0434 K(o=-0.043,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.182 8.830 9.456 1.00 0.00 N ATOM 56 CA TRP A 5 -2.705 8.613 9.470 1.00 0.00 C ATOM 57 C TRP A 5 -2.241 8.228 10.875 1.00 0.00 C ATOM 58 O TRP A 5 -1.989 9.076 11.710 1.00 0.00 O ATOM 59 CB TRP A 5 -2.097 9.954 9.056 1.00 0.00 C ATOM 60 CG TRP A 5 -1.921 9.989 7.572 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.331 10.993 6.764 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.296 8.997 6.706 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.999 10.682 5.459 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.359 9.462 5.370 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.687 7.752 6.946 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.837 8.717 4.312 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.160 7.000 5.883 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.235 7.483 4.568 1.00 0.00 C ATOM 0 HA TRP A 5 -2.403 7.807 8.801 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.744 10.772 9.375 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.136 10.097 9.550 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.836 11.892 7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.202 11.281 4.659 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.624 7.372 7.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.898 9.092 3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.305 6.045 6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.172 6.901 3.754 1.00 0.00 H new ATOM 79 N LEU A 6 -2.122 6.957 11.141 1.00 0.00 N ATOM 80 CA LEU A 6 -1.670 6.512 12.490 1.00 0.00 C ATOM 81 C LEU A 6 -0.181 6.163 12.449 1.00 0.00 C ATOM 82 O LEU A 6 0.326 5.694 11.451 1.00 0.00 O ATOM 83 CB LEU A 6 -2.505 5.270 12.800 1.00 0.00 C ATOM 84 CG LEU A 6 -3.949 5.681 13.094 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.814 4.430 13.252 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.994 6.498 14.387 1.00 0.00 C ATOM 0 H LEU A 6 -2.319 6.205 10.481 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.799 7.284 13.248 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.477 4.581 11.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.085 4.742 13.656 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.329 6.284 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.843 4.723 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.783 3.848 12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.434 3.826 14.076 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.023 6.791 14.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.613 5.895 15.212 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.378 7.390 14.275 1.00 0.00 H new ATOM 98 N ASP A 7 0.522 6.392 13.526 1.00 0.00 N ATOM 99 CA ASP A 7 1.984 6.079 13.553 1.00 0.00 C ATOM 100 C ASP A 7 2.245 4.656 13.047 1.00 0.00 C ATOM 101 O ASP A 7 1.337 3.861 12.896 1.00 0.00 O ATOM 102 CB ASP A 7 2.388 6.208 15.022 1.00 0.00 C ATOM 103 CG ASP A 7 2.487 7.688 15.397 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.234 8.396 14.742 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.814 8.088 16.333 1.00 0.00 O ATOM 0 H ASP A 7 0.148 6.783 14.391 1.00 0.00 H new ATOM 0 HA ASP A 7 2.556 6.747 12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.655 5.710 15.657 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.345 5.714 15.192 1.00 0.00 H new ATOM 110 N CYS A 8 3.483 4.334 12.787 1.00 0.00 N ATOM 111 CA CYS A 8 3.822 2.972 12.293 1.00 0.00 C ATOM 112 C CYS A 8 5.168 2.532 12.878 1.00 0.00 C ATOM 113 O CYS A 8 6.200 2.700 12.258 1.00 0.00 O ATOM 114 CB CYS A 8 3.913 3.112 10.774 1.00 0.00 C ATOM 115 SG CYS A 8 4.145 1.479 10.029 1.00 0.00 S ATOM 0 H CYS A 8 4.279 4.962 12.897 1.00 0.00 H new ATOM 0 HA CYS A 8 3.084 2.224 12.584 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.006 3.575 10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.743 3.766 10.508 1.00 0.00 H new ATOM 0 HG CYS A 8 3.444 0.600 10.682 1.00 0.00 H new ATOM 121 N PRO A 9 5.111 1.982 14.063 1.00 0.00 N ATOM 122 CA PRO A 9 6.341 1.514 14.751 1.00 0.00 C ATOM 123 C PRO A 9 6.919 0.273 14.071 1.00 0.00 C ATOM 124 O PRO A 9 8.001 -0.173 14.400 1.00 0.00 O ATOM 125 CB PRO A 9 5.862 1.169 16.154 1.00 0.00 C ATOM 126 CG PRO A 9 4.400 0.892 16.007 1.00 0.00 C ATOM 127 CD PRO A 9 3.907 1.743 14.868 1.00 0.00 C ATOM 0 HA PRO A 9 7.133 2.263 14.737 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.390 0.301 16.549 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.040 1.993 16.845 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.226 -0.165 15.803 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.867 1.132 16.927 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.135 1.232 14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.473 2.677 15.225 1.00 0.00 H new ATOM 135 N ALA A 10 6.208 -0.297 13.140 1.00 0.00 N ATOM 136 CA ALA A 10 6.725 -1.517 12.461 1.00 0.00 C ATOM 137 C ALA A 10 8.048 -1.223 11.743 1.00 0.00 C ATOM 138 O ALA A 10 8.761 -2.126 11.353 1.00 0.00 O ATOM 139 CB ALA A 10 5.646 -1.901 11.448 1.00 0.00 C ATOM 0 H ALA A 10 5.295 0.027 12.821 1.00 0.00 H new ATOM 0 HA ALA A 10 6.926 -2.318 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.957 -2.795 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.711 -2.100 11.971 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.501 -1.082 10.743 1.00 0.00 H new ATOM 145 N LEU A 11 8.379 0.027 11.552 1.00 0.00 N ATOM 146 CA LEU A 11 9.653 0.356 10.848 1.00 0.00 C ATOM 147 C LEU A 11 10.492 1.334 11.677 1.00 0.00 C ATOM 148 O LEU A 11 11.550 0.988 12.167 1.00 0.00 O ATOM 149 CB LEU A 11 9.215 0.996 9.533 1.00 0.00 C ATOM 150 CG LEU A 11 8.491 -0.049 8.677 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.073 0.434 8.364 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.257 -0.256 7.368 1.00 0.00 C ATOM 0 H LEU A 11 7.826 0.830 11.851 1.00 0.00 H new ATOM 0 HA LEU A 11 10.276 -0.524 10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.556 1.842 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.082 1.384 8.998 1.00 0.00 H new ATOM 0 HG LEU A 11 8.441 -0.990 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.561 -0.311 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.525 0.581 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.122 1.377 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.742 -0.999 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.308 0.687 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.266 -0.603 7.588 1.00 0.00 H new ATOM 164 N GLY A 12 10.037 2.549 11.835 1.00 0.00 N ATOM 165 CA GLY A 12 10.825 3.535 12.632 1.00 0.00 C ATOM 166 C GLY A 12 10.079 4.871 12.707 1.00 0.00 C ATOM 167 O GLY A 12 8.926 4.960 12.333 1.00 0.00 O ATOM 0 H GLY A 12 9.160 2.900 11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.995 3.148 13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.804 3.682 12.177 1.00 0.00 H new ATOM 171 N PRO A 13 10.769 5.874 13.198 1.00 0.00 N ATOM 172 CA PRO A 13 10.164 7.223 13.332 1.00 0.00 C ATOM 173 C PRO A 13 10.032 7.897 11.963 1.00 0.00 C ATOM 174 O PRO A 13 11.009 8.288 11.354 1.00 0.00 O ATOM 175 CB PRO A 13 11.157 7.976 14.210 1.00 0.00 C ATOM 176 CG PRO A 13 12.465 7.283 14.002 1.00 0.00 C ATOM 177 CD PRO A 13 12.159 5.845 13.671 1.00 0.00 C ATOM 0 HA PRO A 13 9.159 7.197 13.754 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.218 9.026 13.925 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.858 7.947 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.025 7.753 13.194 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.082 7.349 14.898 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.833 5.460 12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.269 5.203 14.545 1.00 0.00 H new ATOM 185 N GLY A 14 8.829 8.033 11.478 1.00 0.00 N ATOM 186 CA GLY A 14 8.616 8.679 10.154 1.00 0.00 C ATOM 187 C GLY A 14 7.505 7.936 9.409 1.00 0.00 C ATOM 188 O GLY A 14 6.702 8.529 8.715 1.00 0.00 O ATOM 0 H GLY A 14 7.978 7.722 11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.345 9.727 10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.538 8.659 9.573 1.00 0.00 H new ATOM 192 N TRP A 15 7.470 6.637 9.536 1.00 0.00 N ATOM 193 CA TRP A 15 6.432 5.834 8.824 1.00 0.00 C ATOM 194 C TRP A 15 5.029 6.155 9.342 1.00 0.00 C ATOM 195 O TRP A 15 4.814 6.331 10.525 1.00 0.00 O ATOM 196 CB TRP A 15 6.789 4.377 9.118 1.00 0.00 C ATOM 197 CG TRP A 15 7.915 3.956 8.230 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.218 3.919 8.592 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.861 3.517 6.843 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.968 3.486 7.512 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.177 3.225 6.412 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.810 3.346 5.924 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.441 2.782 5.118 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.072 2.899 4.620 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.387 2.618 4.218 1.00 0.00 C ATOM 0 H TRP A 15 8.119 6.094 10.105 1.00 0.00 H new ATOM 0 HA TRP A 15 6.420 6.052 7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.074 4.264 10.164 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.922 3.738 8.953 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.609 4.184 9.563 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.982 3.374 7.528 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.795 3.560 6.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.455 2.567 4.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.258 2.771 3.922 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.583 2.275 3.213 1.00 0.00 H new ATOM 216 N LYS A 16 4.074 6.216 8.454 1.00 0.00 N ATOM 217 CA LYS A 16 2.670 6.509 8.870 1.00 0.00 C ATOM 218 C LYS A 16 1.723 5.500 8.212 1.00 0.00 C ATOM 219 O LYS A 16 1.982 5.012 7.131 1.00 0.00 O ATOM 220 CB LYS A 16 2.394 7.926 8.368 1.00 0.00 C ATOM 221 CG LYS A 16 3.013 8.937 9.337 1.00 0.00 C ATOM 222 CD LYS A 16 2.226 8.940 10.652 1.00 0.00 C ATOM 223 CE LYS A 16 1.483 10.269 10.804 1.00 0.00 C ATOM 224 NZ LYS A 16 2.407 11.140 11.582 1.00 0.00 N ATOM 0 H LYS A 16 4.206 6.075 7.452 1.00 0.00 H new ATOM 0 HA LYS A 16 2.523 6.434 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.812 8.058 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.320 8.093 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.056 8.682 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.004 9.933 8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.517 8.112 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.903 8.793 11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.253 10.706 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.535 10.134 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.967 12.071 11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.603 10.702 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.298 11.256 11.058 1.00 0.00 H new ATOM 238 N ARG A 17 0.637 5.174 8.860 1.00 0.00 N ATOM 239 CA ARG A 17 -0.316 4.185 8.276 1.00 0.00 C ATOM 240 C ARG A 17 -1.678 4.839 8.014 1.00 0.00 C ATOM 241 O ARG A 17 -2.148 5.652 8.785 1.00 0.00 O ATOM 242 CB ARG A 17 -0.433 3.085 9.339 1.00 0.00 C ATOM 243 CG ARG A 17 -1.655 2.204 9.047 1.00 0.00 C ATOM 244 CD ARG A 17 -1.435 0.804 9.627 1.00 0.00 C ATOM 245 NE ARG A 17 -1.922 0.887 11.033 1.00 0.00 N ATOM 246 CZ ARG A 17 -1.203 1.492 11.939 1.00 0.00 C ATOM 247 NH1 ARG A 17 0.079 1.259 12.020 1.00 0.00 N ATOM 248 NH2 ARG A 17 -1.768 2.330 12.766 1.00 0.00 N ATOM 0 H ARG A 17 0.368 5.550 9.769 1.00 0.00 H new ATOM 0 HA ARG A 17 0.026 3.794 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.471 2.477 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.524 3.532 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.549 2.651 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.820 2.140 7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.986 0.052 9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.383 0.523 9.590 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.818 0.471 11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.520 0.604 11.375 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.640 1.732 12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.770 2.511 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.207 2.803 13.475 1.00 0.00 H new ATOM 262 N ARG A 18 -2.314 4.473 6.933 1.00 0.00 N ATOM 263 CA ARG A 18 -3.650 5.051 6.610 1.00 0.00 C ATOM 264 C ARG A 18 -4.581 3.944 6.109 1.00 0.00 C ATOM 265 O ARG A 18 -4.215 3.150 5.264 1.00 0.00 O ATOM 266 CB ARG A 18 -3.390 6.076 5.505 1.00 0.00 C ATOM 267 CG ARG A 18 -4.707 6.746 5.105 1.00 0.00 C ATOM 268 CD ARG A 18 -4.423 8.135 4.528 1.00 0.00 C ATOM 269 NE ARG A 18 -3.854 7.884 3.172 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.609 7.424 2.202 1.00 0.00 C ATOM 271 NH1 ARG A 18 -5.897 7.262 2.375 1.00 0.00 N ATOM 272 NH2 ARG A 18 -4.071 7.123 1.052 1.00 0.00 N ATOM 0 H ARG A 18 -1.963 3.795 6.257 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.126 5.509 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.679 6.826 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.942 5.587 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.228 6.135 4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.363 6.829 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.334 8.731 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.721 8.686 5.154 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.867 8.072 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.324 7.494 3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.473 6.904 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.068 7.246 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.653 6.765 0.295 1.00 0.00 H new ATOM 286 N GLU A 19 -5.779 3.879 6.625 1.00 0.00 N ATOM 287 CA GLU A 19 -6.725 2.815 6.177 1.00 0.00 C ATOM 288 C GLU A 19 -7.710 3.382 5.151 1.00 0.00 C ATOM 289 O GLU A 19 -8.224 4.473 5.304 1.00 0.00 O ATOM 290 CB GLU A 19 -7.457 2.370 7.445 1.00 0.00 C ATOM 291 CG GLU A 19 -7.090 0.917 7.764 1.00 0.00 C ATOM 292 CD GLU A 19 -7.903 0.437 8.968 1.00 0.00 C ATOM 293 OE1 GLU A 19 -9.040 0.040 8.770 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.375 0.473 10.067 1.00 0.00 O ATOM 0 H GLU A 19 -6.143 4.514 7.335 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.212 1.982 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.186 3.016 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.534 2.462 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.290 0.282 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.024 0.839 7.977 1.00 0.00 H new ATOM 301 N VAL A 20 -7.968 2.646 4.105 1.00 0.00 N ATOM 302 CA VAL A 20 -8.912 3.132 3.055 1.00 0.00 C ATOM 303 C VAL A 20 -10.085 2.157 2.914 1.00 0.00 C ATOM 304 O VAL A 20 -9.966 1.124 2.288 1.00 0.00 O ATOM 305 CB VAL A 20 -8.092 3.159 1.763 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.908 3.819 0.651 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.804 3.956 1.986 1.00 0.00 C ATOM 0 H VAL A 20 -7.565 1.725 3.930 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.329 4.110 3.296 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.843 2.137 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.322 3.837 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.824 3.252 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.160 4.839 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.223 3.973 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.053 4.976 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.218 3.487 2.776 1.00 0.00 H new ATOM 317 N PHE A 21 -11.215 2.472 3.490 1.00 0.00 N ATOM 318 CA PHE A 21 -12.389 1.558 3.388 1.00 0.00 C ATOM 319 C PHE A 21 -13.127 1.762 2.057 1.00 0.00 C ATOM 320 O PHE A 21 -14.341 1.764 2.012 1.00 0.00 O ATOM 321 CB PHE A 21 -13.285 1.954 4.561 1.00 0.00 C ATOM 322 CG PHE A 21 -14.451 1.006 4.636 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.224 -0.361 4.810 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.756 1.494 4.532 1.00 0.00 C ATOM 325 CE1 PHE A 21 -15.306 -1.246 4.878 1.00 0.00 C ATOM 326 CE2 PHE A 21 -16.841 0.611 4.600 1.00 0.00 C ATOM 327 CZ PHE A 21 -16.616 -0.760 4.774 1.00 0.00 C ATOM 0 H PHE A 21 -11.375 3.324 4.027 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.097 0.508 3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.719 1.927 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.640 2.977 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.214 -0.735 4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -15.928 2.552 4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.131 -2.303 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -17.850 0.987 4.518 1.00 0.00 H new ATOM 0 HZ PHE A 21 -17.451 -1.442 4.828 1.00 0.00 H new ATOM 337 N ARG A 22 -12.403 1.917 0.976 1.00 0.00 N ATOM 338 CA ARG A 22 -13.049 2.112 -0.359 1.00 0.00 C ATOM 339 C ARG A 22 -14.092 3.238 -0.310 1.00 0.00 C ATOM 340 O ARG A 22 -14.528 3.653 0.744 1.00 0.00 O ATOM 341 CB ARG A 22 -13.719 0.777 -0.665 1.00 0.00 C ATOM 342 CG ARG A 22 -12.824 -0.037 -1.598 1.00 0.00 C ATOM 343 CD ARG A 22 -12.767 0.636 -2.970 1.00 0.00 C ATOM 344 NE ARG A 22 -11.324 0.647 -3.333 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.704 -0.466 -3.622 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.674 -0.895 -4.852 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.106 -1.145 -2.681 1.00 0.00 N ATOM 0 H ARG A 22 -11.383 1.917 0.961 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.325 2.399 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.897 0.226 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.691 0.943 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.821 -0.116 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.210 -1.052 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.355 0.085 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.172 1.647 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.815 1.531 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.135 -0.362 -5.589 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.190 -1.764 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.123 -0.807 -1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.622 -2.014 -2.908 1.00 0.00 H new ATOM 361 N LYS A 23 -14.492 3.736 -1.448 1.00 0.00 N ATOM 362 CA LYS A 23 -15.501 4.833 -1.467 1.00 0.00 C ATOM 363 C LYS A 23 -16.648 4.502 -2.429 1.00 0.00 C ATOM 364 O LYS A 23 -17.782 4.866 -2.191 1.00 0.00 O ATOM 365 CB LYS A 23 -14.739 6.067 -1.951 1.00 0.00 C ATOM 366 CG LYS A 23 -13.602 6.384 -0.977 1.00 0.00 C ATOM 367 CD LYS A 23 -14.183 6.910 0.340 1.00 0.00 C ATOM 368 CE LYS A 23 -13.652 6.073 1.509 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.012 7.055 2.430 1.00 0.00 N ATOM 0 H LYS A 23 -14.164 3.431 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.951 4.985 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.338 5.891 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.415 6.918 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.008 5.489 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.933 7.126 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.911 7.957 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.272 6.864 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.458 5.534 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.934 5.328 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.625 6.555 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.244 7.548 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.721 7.748 2.746 1.00 0.00 H new ATOM 383 N SER A 24 -16.364 3.817 -3.516 1.00 0.00 N ATOM 384 CA SER A 24 -17.448 3.468 -4.500 1.00 0.00 C ATOM 385 C SER A 24 -16.846 2.963 -5.817 1.00 0.00 C ATOM 386 O SER A 24 -15.676 2.640 -5.897 1.00 0.00 O ATOM 387 CB SER A 24 -18.217 4.770 -4.753 1.00 0.00 C ATOM 388 OG SER A 24 -19.440 4.742 -4.028 1.00 0.00 O ATOM 0 H SER A 24 -15.432 3.485 -3.765 1.00 0.00 H new ATOM 0 HA SER A 24 -18.090 2.678 -4.111 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.617 5.626 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.415 4.888 -5.818 1.00 0.00 H new ATOM 0 HG SER A 24 -19.250 4.697 -3.068 1.00 0.00 H new ATOM 394 N GLY A 25 -17.647 2.900 -6.852 1.00 0.00 N ATOM 395 CA GLY A 25 -17.140 2.427 -8.174 1.00 0.00 C ATOM 396 C GLY A 25 -17.544 0.968 -8.392 1.00 0.00 C ATOM 397 O GLY A 25 -18.366 0.655 -9.232 1.00 0.00 O ATOM 0 H GLY A 25 -18.634 3.157 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.544 3.049 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.055 2.523 -8.213 1.00 0.00 H new ATOM 401 N ALA A 26 -16.962 0.079 -7.642 1.00 0.00 N ATOM 402 CA ALA A 26 -17.282 -1.372 -7.782 1.00 0.00 C ATOM 403 C ALA A 26 -16.592 -2.133 -6.652 1.00 0.00 C ATOM 404 O ALA A 26 -17.138 -3.045 -6.064 1.00 0.00 O ATOM 405 CB ALA A 26 -16.701 -1.776 -9.138 1.00 0.00 C ATOM 0 H ALA A 26 -16.268 0.296 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.349 -1.586 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.895 -2.834 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.168 -1.183 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.625 -1.599 -9.140 1.00 0.00 H new ATOM 411 N THR A 27 -15.393 -1.731 -6.342 1.00 0.00 N ATOM 412 CA THR A 27 -14.626 -2.374 -5.243 1.00 0.00 C ATOM 413 C THR A 27 -15.100 -1.821 -3.891 1.00 0.00 C ATOM 414 O THR A 27 -14.607 -2.200 -2.849 1.00 0.00 O ATOM 415 CB THR A 27 -13.174 -1.967 -5.513 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.111 -0.562 -5.732 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.658 -2.703 -6.753 1.00 0.00 C ATOM 0 H THR A 27 -14.904 -0.970 -6.813 1.00 0.00 H new ATOM 0 HA THR A 27 -14.752 -3.456 -5.207 1.00 0.00 H new ATOM 0 HB THR A 27 -12.556 -2.230 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.751 -0.386 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.625 -2.413 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.708 -3.779 -6.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.274 -2.442 -7.614 1.00 0.00 H new ATOM 425 N CYS A 28 -16.051 -0.916 -3.913 1.00 0.00 N ATOM 426 CA CYS A 28 -16.572 -0.307 -2.652 1.00 0.00 C ATOM 427 C CYS A 28 -16.767 -1.357 -1.553 1.00 0.00 C ATOM 428 O CYS A 28 -17.328 -2.411 -1.778 1.00 0.00 O ATOM 429 CB CYS A 28 -17.921 0.297 -3.040 1.00 0.00 C ATOM 430 SG CYS A 28 -18.451 1.463 -1.760 1.00 0.00 S ATOM 0 H CYS A 28 -16.493 -0.571 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.875 0.428 -2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.841 0.806 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.664 -0.492 -3.159 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.598 1.979 -2.091 1.00 0.00 H new ATOM 436 N GLY A 29 -16.319 -1.062 -0.361 1.00 0.00 N ATOM 437 CA GLY A 29 -16.492 -2.031 0.762 1.00 0.00 C ATOM 438 C GLY A 29 -15.151 -2.672 1.134 1.00 0.00 C ATOM 439 O GLY A 29 -15.031 -3.313 2.161 1.00 0.00 O ATOM 0 H GLY A 29 -15.842 -0.194 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.910 -1.520 1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.204 -2.805 0.475 1.00 0.00 H new ATOM 443 N ARG A 30 -14.142 -2.512 0.320 1.00 0.00 N ATOM 444 CA ARG A 30 -12.819 -3.121 0.648 1.00 0.00 C ATOM 445 C ARG A 30 -11.991 -2.155 1.496 1.00 0.00 C ATOM 446 O ARG A 30 -12.132 -0.952 1.397 1.00 0.00 O ATOM 447 CB ARG A 30 -12.141 -3.373 -0.699 1.00 0.00 C ATOM 448 CG ARG A 30 -12.957 -4.390 -1.498 1.00 0.00 C ATOM 449 CD ARG A 30 -12.272 -4.652 -2.842 1.00 0.00 C ATOM 450 NE ARG A 30 -12.764 -5.990 -3.273 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.363 -6.499 -4.406 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.091 -6.702 -4.616 1.00 0.00 N ATOM 453 NH2 ARG A 30 -13.233 -6.804 -5.329 1.00 0.00 N ATOM 0 H ARG A 30 -14.175 -1.988 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.923 -4.041 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.057 -2.440 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.128 -3.744 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.048 -5.320 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.967 -4.015 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.528 -3.884 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.187 -4.645 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.414 -6.509 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.411 -6.463 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.777 -7.100 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.227 -6.645 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.919 -7.202 -6.214 1.00 0.00 H new ATOM 467 N SER A 31 -11.132 -2.672 2.332 1.00 0.00 N ATOM 468 CA SER A 31 -10.298 -1.783 3.190 1.00 0.00 C ATOM 469 C SER A 31 -8.818 -1.908 2.817 1.00 0.00 C ATOM 470 O SER A 31 -8.148 -2.847 3.200 1.00 0.00 O ATOM 471 CB SER A 31 -10.537 -2.271 4.616 1.00 0.00 C ATOM 472 OG SER A 31 -10.263 -3.664 4.690 1.00 0.00 O ATOM 0 H SER A 31 -10.972 -3.671 2.458 1.00 0.00 H new ATOM 0 HA SER A 31 -10.562 -0.732 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.898 -1.726 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.568 -2.076 4.911 1.00 0.00 H new ATOM 0 HG SER A 31 -9.447 -3.864 4.186 1.00 0.00 H new ATOM 478 N ASP A 32 -8.304 -0.961 2.078 1.00 0.00 N ATOM 479 CA ASP A 32 -6.867 -1.013 1.684 1.00 0.00 C ATOM 480 C ASP A 32 -6.046 -0.099 2.592 1.00 0.00 C ATOM 481 O ASP A 32 -6.329 1.075 2.726 1.00 0.00 O ATOM 482 CB ASP A 32 -6.834 -0.517 0.238 1.00 0.00 C ATOM 483 CG ASP A 32 -7.421 -1.587 -0.684 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.627 -1.774 -0.649 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.656 -2.199 -1.410 1.00 0.00 O ATOM 0 H ASP A 32 -8.819 -0.152 1.730 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.444 -2.013 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.403 0.408 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.809 -0.291 -0.056 1.00 0.00 H new ATOM 490 N THR A 33 -5.034 -0.629 3.224 1.00 0.00 N ATOM 491 CA THR A 33 -4.202 0.208 4.135 1.00 0.00 C ATOM 492 C THR A 33 -2.928 0.662 3.420 1.00 0.00 C ATOM 493 O THR A 33 -2.180 -0.136 2.891 1.00 0.00 O ATOM 494 CB THR A 33 -3.863 -0.710 5.311 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.062 -1.265 5.835 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.153 0.094 6.401 1.00 0.00 C ATOM 0 H THR A 33 -4.748 -1.605 3.149 1.00 0.00 H new ATOM 0 HA THR A 33 -4.720 1.111 4.458 1.00 0.00 H new ATOM 0 HB THR A 33 -3.208 -1.512 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.848 -1.855 6.588 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.912 -0.561 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.234 0.521 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.806 0.897 6.745 1.00 0.00 H new ATOM 504 N TYR A 34 -2.682 1.944 3.403 1.00 0.00 N ATOM 505 CA TYR A 34 -1.463 2.467 2.726 1.00 0.00 C ATOM 506 C TYR A 34 -0.482 3.004 3.771 1.00 0.00 C ATOM 507 O TYR A 34 -0.862 3.328 4.879 1.00 0.00 O ATOM 508 CB TYR A 34 -1.970 3.592 1.828 1.00 0.00 C ATOM 509 CG TYR A 34 -2.850 3.005 0.755 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.160 2.605 1.058 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.355 2.853 -0.543 1.00 0.00 C ATOM 512 CE1 TYR A 34 -4.969 2.056 0.060 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.166 2.302 -1.541 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.473 1.905 -1.240 1.00 0.00 C ATOM 515 OH TYR A 34 -5.273 1.361 -2.224 1.00 0.00 O ATOM 0 H TYR A 34 -3.276 2.654 3.831 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.934 1.703 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.528 4.320 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.130 4.122 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.543 2.721 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.346 3.161 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.978 1.748 0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.783 2.183 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.776 1.328 -3.068 1.00 0.00 H new ATOM 525 N TYR A 35 0.777 3.094 3.434 1.00 0.00 N ATOM 526 CA TYR A 35 1.773 3.602 4.426 1.00 0.00 C ATOM 527 C TYR A 35 2.795 4.514 3.743 1.00 0.00 C ATOM 528 O TYR A 35 3.173 4.296 2.608 1.00 0.00 O ATOM 529 CB TYR A 35 2.475 2.359 4.991 1.00 0.00 C ATOM 530 CG TYR A 35 1.533 1.174 4.991 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.402 0.389 3.840 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.793 0.866 6.138 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.529 -0.705 3.835 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.080 -0.229 6.133 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.211 -1.015 4.980 1.00 0.00 C ATOM 536 OH TYR A 35 -1.071 -2.097 4.972 1.00 0.00 O ATOM 0 H TYR A 35 1.158 2.840 2.523 1.00 0.00 H new ATOM 0 HA TYR A 35 1.289 4.186 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.358 2.130 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.819 2.558 6.006 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.974 0.627 2.956 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.895 1.472 7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.427 -1.310 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.652 -0.468 7.017 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.926 -2.624 4.159 1.00 0.00 H new ATOM 546 N GLN A 36 3.256 5.521 4.433 1.00 0.00 N ATOM 547 CA GLN A 36 4.271 6.436 3.836 1.00 0.00 C ATOM 548 C GLN A 36 5.630 6.179 4.487 1.00 0.00 C ATOM 549 O GLN A 36 5.714 5.836 5.651 1.00 0.00 O ATOM 550 CB GLN A 36 3.784 7.852 4.150 1.00 0.00 C ATOM 551 CG GLN A 36 4.757 8.876 3.553 1.00 0.00 C ATOM 552 CD GLN A 36 4.162 10.279 3.678 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.396 10.548 4.581 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.486 11.192 2.803 1.00 0.00 N ATOM 0 H GLN A 36 2.973 5.750 5.386 1.00 0.00 H new ATOM 0 HA GLN A 36 4.385 6.286 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.785 8.003 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.711 7.991 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.715 8.828 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.949 8.643 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.129 10.966 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.096 12.131 2.878 1.00 0.00 H new ATOM 563 N SER A 37 6.692 6.340 3.744 1.00 0.00 N ATOM 564 CA SER A 37 8.055 6.104 4.310 1.00 0.00 C ATOM 565 C SER A 37 8.258 6.935 5.576 1.00 0.00 C ATOM 566 O SER A 37 7.353 7.612 6.022 1.00 0.00 O ATOM 567 CB SER A 37 9.018 6.549 3.214 1.00 0.00 C ATOM 568 OG SER A 37 9.687 7.741 3.610 1.00 0.00 O ATOM 0 H SER A 37 6.676 6.626 2.765 1.00 0.00 H new ATOM 0 HA SER A 37 8.210 5.062 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.746 5.762 3.016 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.472 6.719 2.286 1.00 0.00 H new ATOM 0 HG SER A 37 10.506 7.847 3.082 1.00 0.00 H new ATOM 574 N PRO A 38 9.445 6.864 6.121 1.00 0.00 N ATOM 575 CA PRO A 38 9.741 7.624 7.336 1.00 0.00 C ATOM 576 C PRO A 38 10.165 9.047 6.985 1.00 0.00 C ATOM 577 O PRO A 38 10.281 9.893 7.852 1.00 0.00 O ATOM 578 CB PRO A 38 10.884 6.853 7.976 1.00 0.00 C ATOM 579 CG PRO A 38 11.555 6.124 6.855 1.00 0.00 C ATOM 580 CD PRO A 38 10.606 6.088 5.675 1.00 0.00 C ATOM 0 HA PRO A 38 8.882 7.722 8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.579 7.527 8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.514 6.158 8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.484 6.623 6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.816 5.112 7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.060 6.526 4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.327 5.066 5.420 1.00 0.00 H new ATOM 588 N THR A 39 10.407 9.331 5.727 1.00 0.00 N ATOM 589 CA THR A 39 10.829 10.716 5.376 1.00 0.00 C ATOM 590 C THR A 39 10.719 11.003 3.868 1.00 0.00 C ATOM 591 O THR A 39 11.319 11.940 3.377 1.00 0.00 O ATOM 592 CB THR A 39 12.279 10.797 5.851 1.00 0.00 C ATOM 593 OG1 THR A 39 12.769 12.116 5.657 1.00 0.00 O ATOM 594 CG2 THR A 39 13.139 9.808 5.061 1.00 0.00 C ATOM 0 H THR A 39 10.332 8.678 4.947 1.00 0.00 H new ATOM 0 HA THR A 39 10.187 11.462 5.844 1.00 0.00 H new ATOM 0 HB THR A 39 12.325 10.545 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.452 12.459 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.172 9.870 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.765 8.796 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.093 10.053 4.000 1.00 0.00 H new ATOM 602 N GLY A 40 9.946 10.242 3.129 1.00 0.00 N ATOM 603 CA GLY A 40 9.811 10.546 1.670 1.00 0.00 C ATOM 604 C GLY A 40 9.793 9.273 0.814 1.00 0.00 C ATOM 605 O GLY A 40 10.800 8.860 0.274 1.00 0.00 O ATOM 0 H GLY A 40 9.413 9.440 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.893 11.109 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.638 11.183 1.355 1.00 0.00 H new ATOM 609 N ASP A 41 8.638 8.675 0.658 1.00 0.00 N ATOM 610 CA ASP A 41 8.501 7.448 -0.194 1.00 0.00 C ATOM 611 C ASP A 41 7.091 6.874 -0.026 1.00 0.00 C ATOM 612 O ASP A 41 6.700 6.469 1.051 1.00 0.00 O ATOM 613 CB ASP A 41 9.559 6.449 0.290 1.00 0.00 C ATOM 614 CG ASP A 41 10.461 6.054 -0.881 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.254 6.882 -1.298 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.344 4.930 -1.342 1.00 0.00 O ATOM 0 H ASP A 41 7.769 8.989 1.091 1.00 0.00 H new ATOM 0 HA ASP A 41 8.649 7.670 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.154 6.892 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.076 5.564 0.706 1.00 0.00 H new ATOM 621 N ARG A 42 6.317 6.860 -1.078 1.00 0.00 N ATOM 622 CA ARG A 42 4.921 6.339 -0.975 1.00 0.00 C ATOM 623 C ARG A 42 4.895 4.808 -1.011 1.00 0.00 C ATOM 624 O ARG A 42 5.321 4.190 -1.966 1.00 0.00 O ATOM 625 CB ARG A 42 4.199 6.912 -2.194 1.00 0.00 C ATOM 626 CG ARG A 42 2.766 7.290 -1.809 1.00 0.00 C ATOM 627 CD ARG A 42 2.772 8.625 -1.058 1.00 0.00 C ATOM 628 NE ARG A 42 1.773 9.472 -1.767 1.00 0.00 N ATOM 629 CZ ARG A 42 1.780 10.766 -1.601 1.00 0.00 C ATOM 630 NH1 ARG A 42 2.905 11.425 -1.661 1.00 0.00 N ATOM 631 NH2 ARG A 42 0.663 11.401 -1.374 1.00 0.00 N ATOM 0 H ARG A 42 6.590 7.187 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 42 4.451 6.630 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.730 7.788 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.189 6.180 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.147 7.366 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.329 6.511 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.502 8.490 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.761 9.083 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 42 1.083 9.040 -2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.778 10.928 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.911 12.437 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.216 10.886 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.669 12.413 -1.244 1.00 0.00 H new ATOM 645 N ILE A 43 4.375 4.200 0.021 1.00 0.00 N ATOM 646 CA ILE A 43 4.288 2.711 0.060 1.00 0.00 C ATOM 647 C ILE A 43 2.818 2.302 0.172 1.00 0.00 C ATOM 648 O ILE A 43 2.004 3.039 0.693 1.00 0.00 O ATOM 649 CB ILE A 43 5.067 2.290 1.310 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.469 2.918 1.289 1.00 0.00 C ATOM 651 CG2 ILE A 43 5.191 0.765 1.346 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.214 2.514 0.012 1.00 0.00 C ATOM 0 H ILE A 43 4.004 4.674 0.845 1.00 0.00 H new ATOM 0 HA ILE A 43 4.696 2.239 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 43 4.534 2.634 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.389 4.004 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.033 2.595 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.745 0.466 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.196 0.320 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.720 0.422 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.206 2.966 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.310 1.429 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.657 2.859 -0.859 1.00 0.00 H new ATOM 664 N ARG A 44 2.460 1.148 -0.327 1.00 0.00 N ATOM 665 CA ARG A 44 1.029 0.730 -0.255 1.00 0.00 C ATOM 666 C ARG A 44 0.877 -0.658 0.377 1.00 0.00 C ATOM 667 O ARG A 44 -0.199 -1.027 0.806 1.00 0.00 O ATOM 668 CB ARG A 44 0.549 0.705 -1.708 1.00 0.00 C ATOM 669 CG ARG A 44 0.815 2.062 -2.366 1.00 0.00 C ATOM 670 CD ARG A 44 -0.243 2.323 -3.442 1.00 0.00 C ATOM 671 NE ARG A 44 -0.689 3.726 -3.212 1.00 0.00 N ATOM 672 CZ ARG A 44 -1.278 4.387 -4.171 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.251 3.835 -4.842 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.896 5.601 -4.458 1.00 0.00 N ATOM 0 H ARG A 44 3.089 0.483 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 44 0.449 1.412 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.064 -0.083 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.516 0.475 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.790 2.853 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.811 2.074 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.173 2.200 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.075 1.625 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.534 4.169 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.552 2.887 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.711 4.352 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.136 6.034 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.357 6.117 -5.208 1.00 0.00 H new ATOM 688 N SER A 45 1.926 -1.436 0.434 1.00 0.00 N ATOM 689 CA SER A 45 1.795 -2.797 1.038 1.00 0.00 C ATOM 690 C SER A 45 3.121 -3.259 1.652 1.00 0.00 C ATOM 691 O SER A 45 3.992 -2.466 1.949 1.00 0.00 O ATOM 692 CB SER A 45 1.385 -3.701 -0.124 1.00 0.00 C ATOM 693 OG SER A 45 0.010 -4.038 0.007 1.00 0.00 O ATOM 0 H SER A 45 2.857 -1.194 0.094 1.00 0.00 H new ATOM 0 HA SER A 45 1.068 -2.816 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.558 -3.194 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.994 -4.605 -0.129 1.00 0.00 H new ATOM 0 HG SER A 45 -0.179 -4.287 0.936 1.00 0.00 H new ATOM 699 N LYS A 46 3.269 -4.544 1.852 1.00 0.00 N ATOM 700 CA LYS A 46 4.521 -5.078 2.453 1.00 0.00 C ATOM 701 C LYS A 46 5.640 -5.089 1.407 1.00 0.00 C ATOM 702 O LYS A 46 6.753 -4.686 1.679 1.00 0.00 O ATOM 703 CB LYS A 46 4.139 -6.487 2.926 1.00 0.00 C ATOM 704 CG LYS A 46 5.163 -7.525 2.470 1.00 0.00 C ATOM 705 CD LYS A 46 5.062 -8.733 3.390 1.00 0.00 C ATOM 706 CE LYS A 46 6.070 -8.584 4.530 1.00 0.00 C ATOM 707 NZ LYS A 46 6.865 -9.844 4.515 1.00 0.00 N ATOM 0 H LYS A 46 2.569 -5.249 1.622 1.00 0.00 H new ATOM 0 HA LYS A 46 4.903 -4.477 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.065 -6.500 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.155 -6.749 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.973 -7.817 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.169 -7.106 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.052 -8.816 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.260 -9.648 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.709 -7.714 4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.565 -8.448 5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.832 -9.648 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.420 -10.543 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.899 -10.222 3.547 1.00 0.00 H new ATOM 721 N VAL A 47 5.355 -5.532 0.210 1.00 0.00 N ATOM 722 CA VAL A 47 6.412 -5.542 -0.839 1.00 0.00 C ATOM 723 C VAL A 47 6.925 -4.114 -1.050 1.00 0.00 C ATOM 724 O VAL A 47 8.095 -3.837 -0.871 1.00 0.00 O ATOM 725 CB VAL A 47 5.713 -6.069 -2.090 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.498 -5.670 -3.341 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.616 -7.595 -2.016 1.00 0.00 C ATOM 0 H VAL A 47 4.444 -5.884 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 47 7.274 -6.156 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 47 4.713 -5.638 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.990 -6.051 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.562 -4.583 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.502 -6.090 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.117 -7.972 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.618 -8.021 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.044 -7.881 -1.133 1.00 0.00 H new ATOM 737 N GLU A 48 6.052 -3.201 -1.411 1.00 0.00 N ATOM 738 CA GLU A 48 6.484 -1.783 -1.615 1.00 0.00 C ATOM 739 C GLU A 48 7.291 -1.323 -0.400 1.00 0.00 C ATOM 740 O GLU A 48 8.292 -0.640 -0.519 1.00 0.00 O ATOM 741 CB GLU A 48 5.188 -0.978 -1.741 1.00 0.00 C ATOM 742 CG GLU A 48 5.307 -0.006 -2.917 1.00 0.00 C ATOM 743 CD GLU A 48 3.998 0.769 -3.078 1.00 0.00 C ATOM 744 OE1 GLU A 48 2.994 0.141 -3.369 1.00 0.00 O ATOM 745 OE2 GLU A 48 4.023 1.977 -2.907 1.00 0.00 O ATOM 0 H GLU A 48 5.061 -3.378 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 48 7.114 -1.657 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.343 -1.649 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.996 -0.429 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.132 0.686 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.532 -0.553 -3.832 1.00 0.00 H new ATOM 752 N LEU A 49 6.871 -1.728 0.768 1.00 0.00 N ATOM 753 CA LEU A 49 7.614 -1.357 2.000 1.00 0.00 C ATOM 754 C LEU A 49 8.982 -2.039 1.961 1.00 0.00 C ATOM 755 O LEU A 49 10.001 -1.451 2.274 1.00 0.00 O ATOM 756 CB LEU A 49 6.754 -1.898 3.148 1.00 0.00 C ATOM 757 CG LEU A 49 7.440 -1.637 4.487 1.00 0.00 C ATOM 758 CD1 LEU A 49 7.533 -0.132 4.726 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.624 -2.280 5.611 1.00 0.00 C ATOM 0 H LEU A 49 6.042 -2.302 0.919 1.00 0.00 H new ATOM 0 HA LEU A 49 7.784 -0.286 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.774 -1.421 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.590 -2.968 3.017 1.00 0.00 H new ATOM 0 HG LEU A 49 8.442 -2.066 4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.023 0.055 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.112 0.328 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.531 0.297 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.113 -2.094 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.623 -1.850 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.555 -3.355 5.441 1.00 0.00 H new ATOM 771 N THR A 50 9.002 -3.278 1.550 1.00 0.00 N ATOM 772 CA THR A 50 10.288 -4.023 1.451 1.00 0.00 C ATOM 773 C THR A 50 11.171 -3.404 0.358 1.00 0.00 C ATOM 774 O THR A 50 12.355 -3.666 0.284 1.00 0.00 O ATOM 775 CB THR A 50 9.878 -5.453 1.075 1.00 0.00 C ATOM 776 OG1 THR A 50 9.181 -6.041 2.165 1.00 0.00 O ATOM 777 CG2 THR A 50 11.123 -6.286 0.757 1.00 0.00 C ATOM 0 H THR A 50 8.175 -3.809 1.277 1.00 0.00 H new ATOM 0 HA THR A 50 10.865 -3.993 2.375 1.00 0.00 H new ATOM 0 HB THR A 50 9.234 -5.425 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.270 -5.683 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.824 -7.300 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.659 -5.835 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.773 -6.317 1.631 1.00 0.00 H new ATOM 785 N ARG A 51 10.603 -2.584 -0.493 1.00 0.00 N ATOM 786 CA ARG A 51 11.413 -1.957 -1.579 1.00 0.00 C ATOM 787 C ARG A 51 12.235 -0.790 -1.025 1.00 0.00 C ATOM 788 O ARG A 51 13.449 -0.788 -1.099 1.00 0.00 O ATOM 789 CB ARG A 51 10.398 -1.446 -2.603 1.00 0.00 C ATOM 790 CG ARG A 51 9.547 -2.611 -3.109 1.00 0.00 C ATOM 791 CD ARG A 51 9.210 -2.395 -4.585 1.00 0.00 C ATOM 792 NE ARG A 51 10.496 -2.590 -5.307 1.00 0.00 N ATOM 793 CZ ARG A 51 10.509 -3.186 -6.468 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.134 -4.433 -6.564 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.895 -2.535 -7.532 1.00 0.00 N ATOM 0 H ARG A 51 9.617 -2.324 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 51 12.114 -2.666 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.760 -0.687 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.915 -0.972 -3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.085 -3.550 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.631 -2.687 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.455 -3.104 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.809 -1.396 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 51 11.368 -2.258 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.831 -4.940 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.144 -4.900 -7.471 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.186 -1.560 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.905 -3.001 -8.439 1.00 0.00 H new ATOM 809 N TYR A 52 11.585 0.205 -0.476 1.00 0.00 N ATOM 810 CA TYR A 52 12.341 1.372 0.073 1.00 0.00 C ATOM 811 C TYR A 52 13.302 0.912 1.173 1.00 0.00 C ATOM 812 O TYR A 52 14.290 1.562 1.455 1.00 0.00 O ATOM 813 CB TYR A 52 11.277 2.321 0.642 1.00 0.00 C ATOM 814 CG TYR A 52 11.857 3.712 0.819 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.725 4.247 -0.147 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.523 4.473 1.950 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.256 5.531 0.019 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.056 5.757 2.113 1.00 0.00 C ATOM 819 CZ TYR A 52 12.922 6.285 1.150 1.00 0.00 C ATOM 820 OH TYR A 52 13.445 7.552 1.314 1.00 0.00 O ATOM 0 H TYR A 52 10.571 0.260 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 52 12.945 1.862 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.418 2.360 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.918 1.944 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.983 3.666 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.854 4.068 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.923 5.940 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.798 6.341 2.984 1.00 0.00 H new ATOM 0 HH TYR A 52 12.774 8.219 1.057 1.00 0.00 H new ATOM 830 N LEU A 53 13.024 -0.204 1.794 1.00 0.00 N ATOM 831 CA LEU A 53 13.928 -0.701 2.872 1.00 0.00 C ATOM 832 C LEU A 53 15.031 -1.590 2.284 1.00 0.00 C ATOM 833 O LEU A 53 15.834 -2.150 3.004 1.00 0.00 O ATOM 834 CB LEU A 53 13.028 -1.516 3.799 1.00 0.00 C ATOM 835 CG LEU A 53 11.901 -0.630 4.329 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.802 -1.509 4.924 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.451 0.305 5.410 1.00 0.00 C ATOM 0 H LEU A 53 12.212 -0.791 1.602 1.00 0.00 H new ATOM 0 HA LEU A 53 14.426 0.116 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.612 -2.368 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.611 -1.916 4.629 1.00 0.00 H new ATOM 0 HG LEU A 53 11.490 -0.036 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.997 -0.879 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.411 -2.174 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.213 -2.102 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.647 0.937 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.863 -0.287 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.235 0.931 4.985 1.00 0.00 H new ATOM 849 N GLY A 54 15.078 -1.723 0.984 1.00 0.00 N ATOM 850 CA GLY A 54 16.128 -2.575 0.358 1.00 0.00 C ATOM 851 C GLY A 54 15.608 -4.010 0.226 1.00 0.00 C ATOM 852 O GLY A 54 14.742 -4.425 0.971 1.00 0.00 O ATOM 0 H GLY A 54 14.434 -1.278 0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.394 -2.181 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.034 -2.559 0.964 1.00 0.00 H new ATOM 856 N PRO A 55 16.155 -4.726 -0.723 1.00 0.00 N ATOM 857 CA PRO A 55 15.735 -6.130 -0.951 1.00 0.00 C ATOM 858 C PRO A 55 16.269 -7.040 0.160 1.00 0.00 C ATOM 859 O PRO A 55 15.751 -8.114 0.396 1.00 0.00 O ATOM 860 CB PRO A 55 16.369 -6.481 -2.294 1.00 0.00 C ATOM 861 CG PRO A 55 17.539 -5.559 -2.424 1.00 0.00 C ATOM 862 CD PRO A 55 17.201 -4.303 -1.663 1.00 0.00 C ATOM 0 HA PRO A 55 14.652 -6.257 -0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.684 -7.524 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.663 -6.340 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.440 -6.022 -2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.737 -5.333 -3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.071 -3.907 -1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.845 -3.517 -2.329 1.00 0.00 H new ATOM 870 N ALA A 56 17.303 -6.620 0.842 1.00 0.00 N ATOM 871 CA ALA A 56 17.868 -7.463 1.937 1.00 0.00 C ATOM 872 C ALA A 56 17.197 -7.131 3.274 1.00 0.00 C ATOM 873 O ALA A 56 17.652 -7.541 4.323 1.00 0.00 O ATOM 874 CB ALA A 56 19.354 -7.107 1.981 1.00 0.00 C ATOM 0 H ALA A 56 17.780 -5.731 0.688 1.00 0.00 H new ATOM 0 HA ALA A 56 17.705 -8.526 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.844 -7.686 2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.812 -7.337 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.467 -6.044 2.192 1.00 0.00 H new ATOM 880 N CYS A 57 16.116 -6.394 3.247 1.00 0.00 N ATOM 881 CA CYS A 57 15.420 -6.041 4.518 1.00 0.00 C ATOM 882 C CYS A 57 13.971 -6.537 4.480 1.00 0.00 C ATOM 883 O CYS A 57 13.039 -5.758 4.442 1.00 0.00 O ATOM 884 CB CYS A 57 15.462 -4.514 4.581 1.00 0.00 C ATOM 885 SG CYS A 57 15.446 -3.981 6.311 1.00 0.00 S ATOM 0 H CYS A 57 15.687 -6.022 2.400 1.00 0.00 H new ATOM 0 HA CYS A 57 15.891 -6.498 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.358 -4.143 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.607 -4.094 4.052 1.00 0.00 H new ATOM 0 HG CYS A 57 15.484 -2.683 6.365 1.00 0.00 H new ATOM 891 N ASP A 58 13.777 -7.829 4.488 1.00 0.00 N ATOM 892 CA ASP A 58 12.389 -8.378 4.451 1.00 0.00 C ATOM 893 C ASP A 58 11.610 -7.934 5.691 1.00 0.00 C ATOM 894 O ASP A 58 12.167 -7.385 6.622 1.00 0.00 O ATOM 895 CB ASP A 58 12.558 -9.896 4.445 1.00 0.00 C ATOM 896 CG ASP A 58 12.645 -10.395 3.001 1.00 0.00 C ATOM 897 OD1 ASP A 58 11.725 -10.124 2.246 1.00 0.00 O ATOM 898 OD2 ASP A 58 13.630 -11.038 2.676 1.00 0.00 O ATOM 0 H ASP A 58 14.519 -8.528 4.519 1.00 0.00 H new ATOM 0 HA ASP A 58 11.833 -8.027 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.459 -10.174 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.718 -10.368 4.954 1.00 0.00 H new ATOM 903 N LEU A 59 10.327 -8.173 5.713 1.00 0.00 N ATOM 904 CA LEU A 59 9.510 -7.772 6.893 1.00 0.00 C ATOM 905 C LEU A 59 8.501 -8.872 7.229 1.00 0.00 C ATOM 906 O LEU A 59 7.321 -8.621 7.382 1.00 0.00 O ATOM 907 CB LEU A 59 8.783 -6.494 6.467 1.00 0.00 C ATOM 908 CG LEU A 59 9.802 -5.421 6.065 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.061 -4.175 5.573 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.671 -5.058 7.275 1.00 0.00 C ATOM 0 H LEU A 59 9.808 -8.630 4.963 1.00 0.00 H new ATOM 0 HA LEU A 59 10.122 -7.612 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.117 -6.706 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.162 -6.129 7.285 1.00 0.00 H new ATOM 0 HG LEU A 59 10.438 -5.805 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.784 -3.411 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.446 -4.434 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.425 -3.792 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.395 -4.295 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.038 -4.675 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.199 -5.946 7.623 1.00 0.00 H new ATOM 922 N THR A 60 8.956 -10.091 7.338 1.00 0.00 N ATOM 923 CA THR A 60 8.026 -11.216 7.657 1.00 0.00 C ATOM 924 C THR A 60 7.264 -10.933 8.955 1.00 0.00 C ATOM 925 O THR A 60 6.199 -11.471 9.188 1.00 0.00 O ATOM 926 CB THR A 60 8.921 -12.448 7.821 1.00 0.00 C ATOM 927 OG1 THR A 60 10.121 -12.273 7.078 1.00 0.00 O ATOM 928 CG2 THR A 60 8.183 -13.685 7.309 1.00 0.00 C ATOM 0 H THR A 60 9.933 -10.358 7.220 1.00 0.00 H new ATOM 0 HA THR A 60 7.279 -11.357 6.876 1.00 0.00 H new ATOM 0 HB THR A 60 9.165 -12.577 8.875 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.691 -13.062 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.819 -14.562 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.265 -13.824 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.937 -13.552 6.255 1.00 0.00 H new ATOM 936 N LEU A 61 7.799 -10.095 9.803 1.00 0.00 N ATOM 937 CA LEU A 61 7.101 -9.782 11.085 1.00 0.00 C ATOM 938 C LEU A 61 6.286 -8.492 10.953 1.00 0.00 C ATOM 939 O LEU A 61 5.884 -7.899 11.936 1.00 0.00 O ATOM 940 CB LEU A 61 8.219 -9.608 12.114 1.00 0.00 C ATOM 941 CG LEU A 61 9.003 -10.917 12.240 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.394 -10.626 12.805 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.258 -11.872 13.178 1.00 0.00 C ATOM 0 H LEU A 61 8.688 -9.614 9.664 1.00 0.00 H new ATOM 0 HA LEU A 61 6.400 -10.567 11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.885 -8.800 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.799 -9.329 13.080 1.00 0.00 H new ATOM 0 HG LEU A 61 9.100 -11.378 11.257 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.952 -11.558 12.895 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.924 -9.948 12.136 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.298 -10.164 13.788 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.817 -12.804 13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.159 -11.413 14.161 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.267 -12.080 12.774 1.00 0.00 H new ATOM 955 N PHE A 62 6.036 -8.053 9.746 1.00 0.00 N ATOM 956 CA PHE A 62 5.241 -6.805 9.555 1.00 0.00 C ATOM 957 C PHE A 62 3.848 -7.153 9.029 1.00 0.00 C ATOM 958 O PHE A 62 3.696 -7.647 7.927 1.00 0.00 O ATOM 959 CB PHE A 62 6.024 -5.987 8.522 1.00 0.00 C ATOM 960 CG PHE A 62 5.239 -4.751 8.138 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.204 -4.842 7.196 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.546 -3.513 8.718 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.480 -3.700 6.837 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.819 -2.370 8.358 1.00 0.00 C ATOM 965 CZ PHE A 62 3.787 -2.465 7.418 1.00 0.00 C ATOM 0 H PHE A 62 6.348 -8.505 8.886 1.00 0.00 H new ATOM 0 HA PHE A 62 5.102 -6.252 10.484 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.993 -5.700 8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.219 -6.594 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.966 -5.795 6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.343 -3.439 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.684 -3.772 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.055 -1.416 8.806 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.227 -1.584 7.141 1.00 0.00 H new ATOM 975 N ASP A 63 2.830 -6.896 9.803 1.00 0.00 N ATOM 976 CA ASP A 63 1.447 -7.208 9.339 1.00 0.00 C ATOM 977 C ASP A 63 0.959 -6.106 8.395 1.00 0.00 C ATOM 978 O ASP A 63 1.024 -4.935 8.711 1.00 0.00 O ATOM 979 CB ASP A 63 0.598 -7.247 10.610 1.00 0.00 C ATOM 980 CG ASP A 63 0.575 -8.672 11.165 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.624 -9.294 11.193 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.493 -9.119 11.553 1.00 0.00 O ATOM 0 H ASP A 63 2.894 -6.485 10.734 1.00 0.00 H new ATOM 0 HA ASP A 63 1.392 -8.149 8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.006 -6.562 11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.417 -6.914 10.393 1.00 0.00 H new ATOM 987 N PHE A 64 0.478 -6.470 7.238 1.00 0.00 N ATOM 988 CA PHE A 64 -0.008 -5.440 6.273 1.00 0.00 C ATOM 989 C PHE A 64 -1.233 -4.716 6.845 1.00 0.00 C ATOM 990 O PHE A 64 -1.242 -3.508 6.982 1.00 0.00 O ATOM 991 CB PHE A 64 -0.372 -6.229 5.008 1.00 0.00 C ATOM 992 CG PHE A 64 -1.213 -5.375 4.084 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.605 -4.417 3.262 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.602 -5.545 4.052 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.390 -3.631 2.409 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.385 -4.759 3.199 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.779 -3.802 2.378 1.00 0.00 C ATOM 0 H PHE A 64 0.400 -7.435 6.918 1.00 0.00 H new ATOM 0 HA PHE A 64 0.738 -4.672 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.536 -6.547 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.919 -7.132 5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.467 -4.285 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.070 -6.283 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.923 -2.892 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.457 -4.891 3.175 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.383 -3.195 1.720 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.265 -5.445 7.176 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.492 -4.797 7.733 1.00 0.00 C ATOM 1009 C LYS A 65 -3.160 -4.008 9.005 1.00 0.00 C ATOM 1010 O LYS A 65 -3.536 -2.861 9.145 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.444 -5.954 8.050 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.842 -5.627 7.519 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.826 -5.652 5.989 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.071 -4.941 5.453 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.504 -5.754 4.282 1.00 0.00 N ATOM 0 H LYS A 65 -2.313 -6.460 7.086 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.930 -4.086 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.078 -6.875 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.483 -6.122 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.565 -6.350 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.157 -4.646 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.926 -5.163 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.800 -6.682 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.854 -4.891 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.845 -3.916 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.986 -5.142 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.672 -6.189 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.156 -6.499 4.599 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.464 -4.612 9.931 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.118 -3.891 11.192 1.00 0.00 C ATOM 1031 C GLN A 66 -1.047 -2.831 10.923 1.00 0.00 C ATOM 1032 O GLN A 66 -1.198 -1.679 11.282 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.581 -4.970 12.133 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.669 -6.016 12.387 1.00 0.00 C ATOM 1035 CD GLN A 66 -3.732 -5.430 13.318 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -3.410 -4.824 14.322 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -4.994 -5.585 13.028 1.00 0.00 N ATOM 0 H GLN A 66 -2.121 -5.571 9.870 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.977 -3.371 11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.702 -5.443 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.266 -4.521 13.075 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.124 -6.320 11.444 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.232 -6.910 12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.265 -6.093 12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.710 -5.198 13.643 1.00 0.00 H new ATOM 1046 N GLY A 67 0.037 -3.210 10.299 1.00 0.00 N ATOM 1047 CA GLY A 67 1.119 -2.225 10.012 1.00 0.00 C ATOM 1048 C GLY A 67 2.000 -2.062 11.252 1.00 0.00 C ATOM 1049 O GLY A 67 2.354 -0.965 11.634 1.00 0.00 O ATOM 0 H GLY A 67 0.219 -4.160 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.720 -2.564 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.687 -1.265 9.731 1.00 0.00 H new ATOM 1053 N ILE A 68 2.353 -3.150 11.884 1.00 0.00 N ATOM 1054 CA ILE A 68 3.210 -3.066 13.105 1.00 0.00 C ATOM 1055 C ILE A 68 4.133 -4.281 13.190 1.00 0.00 C ATOM 1056 O ILE A 68 3.844 -5.332 12.653 1.00 0.00 O ATOM 1057 CB ILE A 68 2.246 -3.059 14.299 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.926 -3.741 13.923 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.971 -1.614 14.720 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.229 -4.244 15.189 1.00 0.00 C ATOM 0 H ILE A 68 2.085 -4.095 11.608 1.00 0.00 H new ATOM 0 HA ILE A 68 3.839 -2.176 13.088 1.00 0.00 H new ATOM 0 HB ILE A 68 2.702 -3.605 15.125 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.280 -3.040 13.395 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.115 -4.573 13.245 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.286 -1.606 15.568 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.907 -1.134 15.005 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.523 -1.071 13.887 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.709 -4.729 14.920 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.874 -4.960 15.699 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.026 -3.402 15.851 1.00 0.00 H new ATOM 1072 N LEU A 69 5.242 -4.146 13.868 1.00 0.00 N ATOM 1073 CA LEU A 69 6.182 -5.294 13.996 1.00 0.00 C ATOM 1074 C LEU A 69 5.835 -6.115 15.239 1.00 0.00 C ATOM 1075 O LEU A 69 6.404 -5.925 16.296 1.00 0.00 O ATOM 1076 CB LEU A 69 7.570 -4.668 14.145 1.00 0.00 C ATOM 1077 CG LEU A 69 8.284 -4.632 12.790 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.686 -4.049 12.974 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.400 -6.050 12.224 1.00 0.00 C ATOM 0 H LEU A 69 5.536 -3.290 14.338 1.00 0.00 H new ATOM 0 HA LEU A 69 6.131 -5.964 13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.480 -3.657 14.543 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.160 -5.241 14.860 1.00 0.00 H new ATOM 0 HG LEU A 69 7.711 -4.014 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.198 -4.022 12.012 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.610 -3.038 13.374 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.251 -4.672 13.668 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.909 -6.017 11.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.970 -6.672 12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.404 -6.472 12.094 1.00 0.00 H new