USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=18 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 47:sc= 0.115 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -134:sc= 0.562 (180deg=-0.0192) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.158 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.0164 (180deg=-0.397) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.349 USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.59! USER MOD Single : A 28 CYS SG : rot 29:sc= 0.531 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 17:sc= 0.567 USER MOD Single : A 36 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.6!) USER MOD Single : A 37 SER OG : rot -116:sc= -2.31! USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.954 USER MOD Single : A 45 SER OG : rot 47:sc= 0.966 USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 1.96 (180deg=-0.633) USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.603 USER MOD Single : A 52 TYR OH : rot 120:sc= -2.26! USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0986 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -3.308 10.477 8.425 1.00 0.00 N ATOM 56 CA TRP A 5 -2.194 9.488 8.524 1.00 0.00 C ATOM 57 C TRP A 5 -1.911 9.161 9.993 1.00 0.00 C ATOM 58 O TRP A 5 -1.787 10.043 10.821 1.00 0.00 O ATOM 59 CB TRP A 5 -0.989 10.183 7.887 1.00 0.00 C ATOM 60 CG TRP A 5 -1.049 10.023 6.402 1.00 0.00 C ATOM 61 CD1 TRP A 5 -1.595 10.917 5.545 1.00 0.00 C ATOM 62 CD2 TRP A 5 -0.557 8.921 5.586 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.468 10.434 4.255 1.00 0.00 N ATOM 64 CE2 TRP A 5 -0.835 9.207 4.229 1.00 0.00 C ATOM 65 CE3 TRP A 5 0.098 7.714 5.889 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.476 8.326 3.208 1.00 0.00 C ATOM 67 CZ3 TRP A 5 0.461 6.826 4.865 1.00 0.00 C ATOM 68 CH2 TRP A 5 0.175 7.130 3.527 1.00 0.00 C ATOM 0 HA TRP A 5 -2.430 8.547 8.027 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.985 11.241 8.150 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.063 9.755 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.055 11.854 5.823 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -1.801 10.924 3.425 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.323 7.469 6.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.699 8.566 2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.964 5.902 5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.457 6.442 2.744 1.00 0.00 H new ATOM 79 N LEU A 6 -1.811 7.901 10.321 1.00 0.00 N ATOM 80 CA LEU A 6 -1.540 7.512 11.737 1.00 0.00 C ATOM 81 C LEU A 6 -0.092 7.036 11.884 1.00 0.00 C ATOM 82 O LEU A 6 0.551 6.672 10.919 1.00 0.00 O ATOM 83 CB LEU A 6 -2.510 6.365 12.029 1.00 0.00 C ATOM 84 CG LEU A 6 -3.946 6.823 11.760 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.898 5.635 11.912 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.329 7.914 12.761 1.00 0.00 C ATOM 0 H LEU A 6 -1.905 7.122 9.669 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.676 8.345 12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.269 5.505 11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.408 6.045 13.066 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.017 7.218 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.920 5.961 11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.626 4.857 11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.827 5.239 12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.351 8.240 12.570 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.258 7.519 13.774 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.651 8.761 12.653 1.00 0.00 H new ATOM 98 N ASP A 7 0.427 7.033 13.084 1.00 0.00 N ATOM 99 CA ASP A 7 1.835 6.575 13.289 1.00 0.00 C ATOM 100 C ASP A 7 1.997 5.135 12.796 1.00 0.00 C ATOM 101 O ASP A 7 1.033 4.468 12.473 1.00 0.00 O ATOM 102 CB ASP A 7 2.063 6.654 14.799 1.00 0.00 C ATOM 103 CG ASP A 7 2.006 8.114 15.250 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.664 8.933 14.628 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.306 8.391 16.210 1.00 0.00 O ATOM 0 H ASP A 7 -0.061 7.327 13.930 1.00 0.00 H new ATOM 0 HA ASP A 7 2.552 7.183 12.738 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.305 6.071 15.322 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.030 6.221 15.054 1.00 0.00 H new ATOM 110 N CYS A 8 3.208 4.649 12.733 1.00 0.00 N ATOM 111 CA CYS A 8 3.428 3.252 12.258 1.00 0.00 C ATOM 112 C CYS A 8 4.723 2.688 12.858 1.00 0.00 C ATOM 113 O CYS A 8 5.781 2.807 12.273 1.00 0.00 O ATOM 114 CB CYS A 8 3.535 3.368 10.736 1.00 0.00 C ATOM 115 SG CYS A 8 3.848 1.735 10.017 1.00 0.00 S ATOM 0 H CYS A 8 4.054 5.158 12.990 1.00 0.00 H new ATOM 0 HA CYS A 8 2.626 2.577 12.557 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.614 3.785 10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.340 4.053 10.470 1.00 0.00 H new ATOM 0 HG CYS A 8 3.936 1.840 8.724 1.00 0.00 H new ATOM 121 N PRO A 9 4.590 2.090 14.015 1.00 0.00 N ATOM 122 CA PRO A 9 5.762 1.498 14.711 1.00 0.00 C ATOM 123 C PRO A 9 6.222 0.207 14.032 1.00 0.00 C ATOM 124 O PRO A 9 7.216 -0.379 14.415 1.00 0.00 O ATOM 125 CB PRO A 9 5.236 1.187 16.104 1.00 0.00 C ATOM 126 CG PRO A 9 3.756 1.043 15.942 1.00 0.00 C ATOM 127 CD PRO A 9 3.349 1.911 14.780 1.00 0.00 C ATOM 0 HA PRO A 9 6.622 2.168 14.707 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.680 0.272 16.497 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.479 1.986 16.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.489 0.003 15.757 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.238 1.349 16.851 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.575 1.435 14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.947 2.866 15.118 1.00 0.00 H new ATOM 135 N ALA A 10 5.504 -0.253 13.046 1.00 0.00 N ATOM 136 CA ALA A 10 5.904 -1.521 12.373 1.00 0.00 C ATOM 137 C ALA A 10 7.316 -1.412 11.783 1.00 0.00 C ATOM 138 O ALA A 10 7.933 -2.404 11.453 1.00 0.00 O ATOM 139 CB ALA A 10 4.877 -1.727 11.259 1.00 0.00 C ATOM 0 H ALA A 10 4.662 0.191 12.678 1.00 0.00 H new ATOM 0 HA ALA A 10 5.925 -2.355 13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.107 -2.644 10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.880 -1.802 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.911 -0.882 10.572 1.00 0.00 H new ATOM 145 N LEU A 11 7.830 -0.220 11.636 1.00 0.00 N ATOM 146 CA LEU A 11 9.197 -0.068 11.059 1.00 0.00 C ATOM 147 C LEU A 11 10.060 0.834 11.947 1.00 0.00 C ATOM 148 O LEU A 11 11.043 0.400 12.513 1.00 0.00 O ATOM 149 CB LEU A 11 8.972 0.568 9.688 1.00 0.00 C ATOM 150 CG LEU A 11 8.227 -0.425 8.786 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.894 0.184 8.338 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.083 -0.746 7.555 1.00 0.00 C ATOM 0 H LEU A 11 7.365 0.652 11.889 1.00 0.00 H new ATOM 0 HA LEU A 11 9.724 -1.019 10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.395 1.487 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.927 0.839 9.239 1.00 0.00 H new ATOM 0 HG LEU A 11 8.036 -1.342 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.368 -0.524 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.283 0.406 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.082 1.104 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.552 -1.451 6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.279 0.171 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.028 -1.186 7.874 1.00 0.00 H new ATOM 164 N GLY A 12 9.703 2.086 12.073 1.00 0.00 N ATOM 165 CA GLY A 12 10.509 3.007 12.925 1.00 0.00 C ATOM 166 C GLY A 12 9.853 4.391 12.963 1.00 0.00 C ATOM 167 O GLY A 12 8.700 4.538 12.613 1.00 0.00 O ATOM 0 H GLY A 12 8.890 2.508 11.624 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.589 2.605 13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.523 3.086 12.532 1.00 0.00 H new ATOM 171 N PRO A 13 10.618 5.365 13.392 1.00 0.00 N ATOM 172 CA PRO A 13 10.101 6.754 13.480 1.00 0.00 C ATOM 173 C PRO A 13 9.952 7.362 12.082 1.00 0.00 C ATOM 174 O PRO A 13 10.720 7.073 11.184 1.00 0.00 O ATOM 175 CB PRO A 13 11.174 7.488 14.280 1.00 0.00 C ATOM 176 CG PRO A 13 12.427 6.702 14.058 1.00 0.00 C ATOM 177 CD PRO A 13 12.016 5.270 13.832 1.00 0.00 C ATOM 0 HA PRO A 13 9.116 6.814 13.943 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.287 8.517 13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.917 7.531 15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.975 7.086 13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.090 6.781 14.920 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.640 4.790 13.078 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.108 4.680 14.744 1.00 0.00 H new ATOM 185 N GLY A 14 8.968 8.200 11.893 1.00 0.00 N ATOM 186 CA GLY A 14 8.762 8.826 10.556 1.00 0.00 C ATOM 187 C GLY A 14 7.708 8.033 9.780 1.00 0.00 C ATOM 188 O GLY A 14 6.968 8.576 8.984 1.00 0.00 O ATOM 0 H GLY A 14 8.297 8.478 12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.441 9.861 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.701 8.844 10.002 1.00 0.00 H new ATOM 192 N TRP A 15 7.656 6.744 9.989 1.00 0.00 N ATOM 193 CA TRP A 15 6.675 5.895 9.250 1.00 0.00 C ATOM 194 C TRP A 15 5.235 6.319 9.546 1.00 0.00 C ATOM 195 O TRP A 15 4.900 6.701 10.650 1.00 0.00 O ATOM 196 CB TRP A 15 6.932 4.474 9.749 1.00 0.00 C ATOM 197 CG TRP A 15 7.964 3.827 8.886 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.283 3.742 9.178 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.789 3.177 7.596 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.925 3.081 8.147 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.047 2.710 7.152 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.669 2.947 6.778 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.192 2.041 5.938 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.812 2.272 5.555 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.072 1.820 5.138 1.00 0.00 C ATOM 0 H TRP A 15 8.254 6.240 10.643 1.00 0.00 H new ATOM 0 HA TRP A 15 6.798 5.985 8.171 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.270 4.496 10.785 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.008 3.896 9.727 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.756 4.127 10.069 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.927 2.891 8.126 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.694 3.291 7.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.165 1.696 5.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.947 2.100 4.932 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.175 1.300 4.197 1.00 0.00 H new ATOM 216 N LYS A 16 4.381 6.244 8.558 1.00 0.00 N ATOM 217 CA LYS A 16 2.954 6.630 8.756 1.00 0.00 C ATOM 218 C LYS A 16 2.040 5.613 8.063 1.00 0.00 C ATOM 219 O LYS A 16 2.402 5.021 7.065 1.00 0.00 O ATOM 220 CB LYS A 16 2.818 8.005 8.099 1.00 0.00 C ATOM 221 CG LYS A 16 3.546 9.057 8.942 1.00 0.00 C ATOM 222 CD LYS A 16 2.526 9.897 9.720 1.00 0.00 C ATOM 223 CE LYS A 16 2.644 11.366 9.304 1.00 0.00 C ATOM 224 NZ LYS A 16 3.962 11.810 9.840 1.00 0.00 N ATOM 0 H LYS A 16 4.614 5.929 7.616 1.00 0.00 H new ATOM 0 HA LYS A 16 2.672 6.654 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.235 7.980 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.765 8.269 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.233 8.570 9.634 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.145 9.701 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.517 9.534 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.700 9.797 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.601 11.475 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.829 11.960 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.922 12.825 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.184 11.274 10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.701 11.642 9.128 1.00 0.00 H new ATOM 238 N ARG A 17 0.858 5.404 8.584 1.00 0.00 N ATOM 239 CA ARG A 17 -0.076 4.424 7.954 1.00 0.00 C ATOM 240 C ARG A 17 -1.462 5.052 7.774 1.00 0.00 C ATOM 241 O ARG A 17 -1.872 5.906 8.533 1.00 0.00 O ATOM 242 CB ARG A 17 -0.136 3.247 8.933 1.00 0.00 C ATOM 243 CG ARG A 17 -1.208 2.249 8.479 1.00 0.00 C ATOM 244 CD ARG A 17 -1.289 1.086 9.472 1.00 0.00 C ATOM 245 NE ARG A 17 -1.591 1.717 10.787 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.801 1.666 11.273 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.216 0.589 11.883 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.595 2.693 11.151 1.00 0.00 N ATOM 0 H ARG A 17 0.500 5.869 9.418 1.00 0.00 H new ATOM 0 HA ARG A 17 0.258 4.112 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.835 2.754 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.363 3.608 9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.175 2.747 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.970 1.873 7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.067 0.378 9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.351 0.532 9.507 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.852 2.189 11.308 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.594 -0.214 11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.162 0.550 12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.270 3.535 10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.541 2.654 11.530 1.00 0.00 H new ATOM 262 N ARG A 18 -2.183 4.627 6.773 1.00 0.00 N ATOM 263 CA ARG A 18 -3.544 5.185 6.531 1.00 0.00 C ATOM 264 C ARG A 18 -4.503 4.061 6.130 1.00 0.00 C ATOM 265 O ARG A 18 -4.170 3.207 5.332 1.00 0.00 O ATOM 266 CB ARG A 18 -3.369 6.176 5.380 1.00 0.00 C ATOM 267 CG ARG A 18 -4.633 7.031 5.237 1.00 0.00 C ATOM 268 CD ARG A 18 -4.319 8.478 5.628 1.00 0.00 C ATOM 269 NE ARG A 18 -4.055 9.177 4.339 1.00 0.00 N ATOM 270 CZ ARG A 18 -4.614 10.331 4.096 1.00 0.00 C ATOM 271 NH1 ARG A 18 -4.559 11.284 4.986 1.00 0.00 N ATOM 272 NH2 ARG A 18 -5.228 10.533 2.962 1.00 0.00 N ATOM 0 H ARG A 18 -1.886 3.913 6.108 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.961 5.664 7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.505 6.815 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.175 5.639 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.997 6.992 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.426 6.636 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.154 8.933 6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.454 8.529 6.289 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.437 8.754 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.079 11.127 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.996 12.186 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.271 9.789 2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.665 11.435 2.772 1.00 0.00 H new ATOM 286 N GLU A 19 -5.689 4.055 6.674 1.00 0.00 N ATOM 287 CA GLU A 19 -6.665 2.984 6.319 1.00 0.00 C ATOM 288 C GLU A 19 -7.657 3.509 5.280 1.00 0.00 C ATOM 289 O GLU A 19 -8.159 4.611 5.389 1.00 0.00 O ATOM 290 CB GLU A 19 -7.381 2.644 7.629 1.00 0.00 C ATOM 291 CG GLU A 19 -7.142 1.172 7.978 1.00 0.00 C ATOM 292 CD GLU A 19 -7.795 0.856 9.325 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.914 1.296 9.536 1.00 0.00 O ATOM 294 OE2 GLU A 19 -7.166 0.180 10.121 1.00 0.00 O ATOM 0 H GLU A 19 -6.025 4.743 7.348 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.182 2.108 5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.014 3.283 8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.449 2.836 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.557 0.531 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.072 0.967 8.023 1.00 0.00 H new ATOM 301 N VAL A 20 -7.937 2.732 4.268 1.00 0.00 N ATOM 302 CA VAL A 20 -8.890 3.189 3.215 1.00 0.00 C ATOM 303 C VAL A 20 -10.079 2.232 3.119 1.00 0.00 C ATOM 304 O VAL A 20 -9.989 1.180 2.519 1.00 0.00 O ATOM 305 CB VAL A 20 -8.089 3.166 1.911 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.910 3.819 0.798 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.780 3.937 2.095 1.00 0.00 C ATOM 0 H VAL A 20 -7.547 1.800 4.125 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.292 4.178 3.433 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.865 2.133 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.341 3.803 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.841 3.269 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.134 4.851 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.213 3.918 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.001 4.970 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.193 3.473 2.887 1.00 0.00 H new ATOM 317 N PHE A 21 -11.195 2.589 3.696 1.00 0.00 N ATOM 318 CA PHE A 21 -12.391 1.695 3.628 1.00 0.00 C ATOM 319 C PHE A 21 -13.164 1.949 2.328 1.00 0.00 C ATOM 320 O PHE A 21 -14.374 2.062 2.329 1.00 0.00 O ATOM 321 CB PHE A 21 -13.239 2.077 4.845 1.00 0.00 C ATOM 322 CG PHE A 21 -13.351 0.894 5.777 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.889 -0.314 5.316 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.915 1.004 7.104 1.00 0.00 C ATOM 325 CE1 PHE A 21 -13.992 -1.410 6.179 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.019 -0.093 7.968 1.00 0.00 C ATOM 327 CZ PHE A 21 -13.557 -1.300 7.506 1.00 0.00 C ATOM 0 H PHE A 21 -11.332 3.459 4.211 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.122 0.639 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.787 2.921 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.231 2.395 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.225 -0.399 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.499 1.935 7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.407 -2.341 5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.684 -0.008 8.991 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.637 -2.146 8.172 1.00 0.00 H new ATOM 337 N ARG A 22 -12.470 2.029 1.220 1.00 0.00 N ATOM 338 CA ARG A 22 -13.141 2.269 -0.092 1.00 0.00 C ATOM 339 C ARG A 22 -14.100 3.465 -0.015 1.00 0.00 C ATOM 340 O ARG A 22 -14.362 4.002 1.043 1.00 0.00 O ATOM 341 CB ARG A 22 -13.913 0.987 -0.373 1.00 0.00 C ATOM 342 CG ARG A 22 -13.066 0.063 -1.249 1.00 0.00 C ATOM 343 CD ARG A 22 -12.996 0.625 -2.670 1.00 0.00 C ATOM 344 NE ARG A 22 -11.549 0.624 -3.010 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.926 -0.500 -3.244 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.873 -0.973 -4.457 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.352 -1.146 -2.267 1.00 0.00 N ATOM 0 H ARG A 22 -11.455 1.937 1.170 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.422 2.505 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.164 0.489 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.853 1.218 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.062 -0.029 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.498 -0.938 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.566 0.010 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.413 1.631 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.040 1.506 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.318 -0.466 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.387 -1.851 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.389 -0.774 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.866 -2.024 -2.452 1.00 0.00 H new ATOM 361 N LYS A 23 -14.622 3.884 -1.135 1.00 0.00 N ATOM 362 CA LYS A 23 -15.564 5.039 -1.135 1.00 0.00 C ATOM 363 C LYS A 23 -16.717 4.797 -2.116 1.00 0.00 C ATOM 364 O LYS A 23 -17.829 5.228 -1.884 1.00 0.00 O ATOM 365 CB LYS A 23 -14.725 6.239 -1.575 1.00 0.00 C ATOM 366 CG LYS A 23 -15.125 7.476 -0.763 1.00 0.00 C ATOM 367 CD LYS A 23 -14.740 7.283 0.710 1.00 0.00 C ATOM 368 CE LYS A 23 -13.249 6.951 0.819 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.882 7.285 2.224 1.00 0.00 N ATOM 0 H LYS A 23 -14.437 3.476 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.017 5.195 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.666 6.026 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.872 6.427 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.630 8.360 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.198 7.646 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.962 8.188 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.333 6.480 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.062 5.899 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.662 7.533 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.873 7.084 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.065 8.294 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.452 6.711 2.878 1.00 0.00 H new ATOM 383 N SER A 24 -16.469 4.107 -3.210 1.00 0.00 N ATOM 384 CA SER A 24 -17.571 3.843 -4.199 1.00 0.00 C ATOM 385 C SER A 24 -17.025 3.208 -5.483 1.00 0.00 C ATOM 386 O SER A 24 -15.862 2.869 -5.579 1.00 0.00 O ATOM 387 CB SER A 24 -18.179 5.212 -4.521 1.00 0.00 C ATOM 388 OG SER A 24 -17.155 6.199 -4.511 1.00 0.00 O ATOM 0 H SER A 24 -15.560 3.718 -3.459 1.00 0.00 H new ATOM 0 HA SER A 24 -18.304 3.150 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.664 5.186 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.947 5.462 -3.789 1.00 0.00 H new ATOM 0 HG SER A 24 -17.543 7.075 -4.718 1.00 0.00 H new ATOM 394 N GLY A 25 -17.872 3.051 -6.471 1.00 0.00 N ATOM 395 CA GLY A 25 -17.432 2.444 -7.760 1.00 0.00 C ATOM 396 C GLY A 25 -17.929 1.000 -7.842 1.00 0.00 C ATOM 397 O GLY A 25 -19.045 0.732 -8.242 1.00 0.00 O ATOM 0 H GLY A 25 -18.855 3.320 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.822 3.022 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.345 2.470 -7.834 1.00 0.00 H new ATOM 401 N ALA A 26 -17.100 0.074 -7.458 1.00 0.00 N ATOM 402 CA ALA A 26 -17.488 -1.367 -7.493 1.00 0.00 C ATOM 403 C ALA A 26 -16.823 -2.083 -6.318 1.00 0.00 C ATOM 404 O ALA A 26 -17.419 -2.897 -5.642 1.00 0.00 O ATOM 405 CB ALA A 26 -16.941 -1.891 -8.821 1.00 0.00 C ATOM 0 H ALA A 26 -16.156 0.254 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.564 -1.524 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.186 -2.948 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.388 -1.334 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.859 -1.765 -8.844 1.00 0.00 H new ATOM 411 N THR A 27 -15.588 -1.752 -6.072 1.00 0.00 N ATOM 412 CA THR A 27 -14.837 -2.360 -4.942 1.00 0.00 C ATOM 413 C THR A 27 -15.291 -1.732 -3.616 1.00 0.00 C ATOM 414 O THR A 27 -14.818 -2.093 -2.557 1.00 0.00 O ATOM 415 CB THR A 27 -13.372 -2.005 -5.231 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.256 -0.598 -5.404 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.911 -2.717 -6.507 1.00 0.00 C ATOM 0 H THR A 27 -15.058 -1.072 -6.617 1.00 0.00 H new ATOM 0 HA THR A 27 -14.995 -3.435 -4.855 1.00 0.00 H new ATOM 0 HB THR A 27 -12.749 -2.325 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.908 -0.406 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.871 -2.463 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.002 -3.795 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.532 -2.400 -7.345 1.00 0.00 H new ATOM 425 N CYS A 28 -16.196 -0.784 -3.674 1.00 0.00 N ATOM 426 CA CYS A 28 -16.685 -0.107 -2.433 1.00 0.00 C ATOM 427 C CYS A 28 -16.974 -1.117 -1.316 1.00 0.00 C ATOM 428 O CYS A 28 -17.597 -2.138 -1.534 1.00 0.00 O ATOM 429 CB CYS A 28 -17.973 0.607 -2.854 1.00 0.00 C ATOM 430 SG CYS A 28 -19.170 -0.601 -3.483 1.00 0.00 S ATOM 0 H CYS A 28 -16.621 -0.448 -4.538 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.938 0.579 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.396 1.143 -2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.754 1.349 -3.622 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.976 -1.747 -2.902 1.00 0.00 H new ATOM 436 N GLY A 29 -16.536 -0.828 -0.118 1.00 0.00 N ATOM 437 CA GLY A 29 -16.796 -1.761 1.019 1.00 0.00 C ATOM 438 C GLY A 29 -15.499 -2.450 1.458 1.00 0.00 C ATOM 439 O GLY A 29 -15.442 -3.058 2.509 1.00 0.00 O ATOM 0 H GLY A 29 -16.010 0.012 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.224 -1.211 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.530 -2.510 0.721 1.00 0.00 H new ATOM 443 N ARG A 30 -14.458 -2.367 0.671 1.00 0.00 N ATOM 444 CA ARG A 30 -13.176 -3.028 1.060 1.00 0.00 C ATOM 445 C ARG A 30 -12.352 -2.101 1.958 1.00 0.00 C ATOM 446 O ARG A 30 -12.703 -0.959 2.174 1.00 0.00 O ATOM 447 CB ARG A 30 -12.444 -3.294 -0.255 1.00 0.00 C ATOM 448 CG ARG A 30 -13.234 -4.306 -1.085 1.00 0.00 C ATOM 449 CD ARG A 30 -12.436 -4.678 -2.336 1.00 0.00 C ATOM 450 NE ARG A 30 -12.996 -5.987 -2.774 1.00 0.00 N ATOM 451 CZ ARG A 30 -13.967 -6.022 -3.644 1.00 0.00 C ATOM 452 NH1 ARG A 30 -15.205 -5.924 -3.244 1.00 0.00 N ATOM 453 NH2 ARG A 30 -13.701 -6.156 -4.914 1.00 0.00 N ATOM 0 H ARG A 30 -14.439 -1.872 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.343 -3.947 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.326 -2.364 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.443 -3.675 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.437 -5.198 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.199 -3.885 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.545 -3.922 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.371 -4.758 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.620 -6.856 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.413 -5.820 -2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.964 -5.951 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.733 -6.233 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.461 -6.183 -5.594 1.00 0.00 H new ATOM 467 N SER A 31 -11.258 -2.589 2.484 1.00 0.00 N ATOM 468 CA SER A 31 -10.411 -1.738 3.370 1.00 0.00 C ATOM 469 C SER A 31 -8.932 -1.891 3.004 1.00 0.00 C ATOM 470 O SER A 31 -8.280 -2.840 3.395 1.00 0.00 O ATOM 471 CB SER A 31 -10.670 -2.259 4.783 1.00 0.00 C ATOM 472 OG SER A 31 -10.711 -3.680 4.761 1.00 0.00 O ATOM 0 H SER A 31 -10.916 -3.539 2.338 1.00 0.00 H new ATOM 0 HA SER A 31 -10.651 -0.679 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.886 -1.917 5.458 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.612 -1.863 5.162 1.00 0.00 H new ATOM 0 HG SER A 31 -9.945 -4.022 4.254 1.00 0.00 H new ATOM 478 N ASP A 32 -8.398 -0.959 2.259 1.00 0.00 N ATOM 479 CA ASP A 32 -6.960 -1.043 1.869 1.00 0.00 C ATOM 480 C ASP A 32 -6.117 -0.136 2.767 1.00 0.00 C ATOM 481 O ASP A 32 -6.389 1.039 2.905 1.00 0.00 O ATOM 482 CB ASP A 32 -6.913 -0.563 0.418 1.00 0.00 C ATOM 483 CG ASP A 32 -7.424 -1.670 -0.507 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.363 -2.823 -0.114 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.869 -1.345 -1.595 1.00 0.00 O ATOM 0 H ASP A 32 -8.896 -0.143 1.904 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.560 -2.052 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.523 0.333 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.893 -0.291 0.147 1.00 0.00 H new ATOM 490 N THR A 33 -5.098 -0.677 3.379 1.00 0.00 N ATOM 491 CA THR A 33 -4.240 0.152 4.273 1.00 0.00 C ATOM 492 C THR A 33 -2.972 0.585 3.533 1.00 0.00 C ATOM 493 O THR A 33 -2.240 -0.230 3.006 1.00 0.00 O ATOM 494 CB THR A 33 -3.893 -0.764 5.449 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.090 -1.277 6.016 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.124 0.029 6.506 1.00 0.00 C ATOM 0 H THR A 33 -4.823 -1.656 3.299 1.00 0.00 H new ATOM 0 HA THR A 33 -4.741 1.063 4.602 1.00 0.00 H new ATOM 0 HB THR A 33 -3.274 -1.590 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.870 -1.865 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.877 -0.624 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.206 0.422 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.740 0.856 6.860 1.00 0.00 H new ATOM 504 N TYR A 34 -2.713 1.863 3.490 1.00 0.00 N ATOM 505 CA TYR A 34 -1.497 2.359 2.784 1.00 0.00 C ATOM 506 C TYR A 34 -0.477 2.876 3.802 1.00 0.00 C ATOM 507 O TYR A 34 -0.827 3.250 4.904 1.00 0.00 O ATOM 508 CB TYR A 34 -1.996 3.494 1.894 1.00 0.00 C ATOM 509 CG TYR A 34 -2.879 2.922 0.815 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.192 2.536 1.112 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.384 2.776 -0.484 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.008 2.004 0.109 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.200 2.244 -1.487 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.512 1.858 -1.191 1.00 0.00 C ATOM 515 OH TYR A 34 -5.316 1.331 -2.180 1.00 0.00 O ATOM 0 H TYR A 34 -3.292 2.587 3.914 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.001 1.579 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.550 4.221 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.152 4.022 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.574 2.649 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.371 3.074 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.021 1.706 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.818 2.131 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.818 1.299 -3.024 1.00 0.00 H new ATOM 525 N TYR A 35 0.780 2.896 3.448 1.00 0.00 N ATOM 526 CA TYR A 35 1.815 3.384 4.408 1.00 0.00 C ATOM 527 C TYR A 35 2.867 4.223 3.681 1.00 0.00 C ATOM 528 O TYR A 35 3.121 4.037 2.507 1.00 0.00 O ATOM 529 CB TYR A 35 2.473 2.127 5.003 1.00 0.00 C ATOM 530 CG TYR A 35 1.522 0.953 4.957 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.401 0.197 3.785 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.766 0.618 6.086 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.524 -0.892 3.741 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.112 -0.471 6.044 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.234 -1.226 4.871 1.00 0.00 C ATOM 536 OH TYR A 35 -1.099 -2.300 4.828 1.00 0.00 O ATOM 0 H TYR A 35 1.135 2.597 2.540 1.00 0.00 H new ATOM 0 HA TYR A 35 1.369 4.012 5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.380 1.888 4.448 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.771 2.320 6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.985 0.455 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.860 1.200 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.431 -1.475 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.695 -0.729 6.916 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.874 -2.871 4.064 1.00 0.00 H new ATOM 546 N GLN A 36 3.492 5.130 4.376 1.00 0.00 N ATOM 547 CA GLN A 36 4.546 5.971 3.742 1.00 0.00 C ATOM 548 C GLN A 36 5.858 5.788 4.504 1.00 0.00 C ATOM 549 O GLN A 36 5.865 5.646 5.711 1.00 0.00 O ATOM 550 CB GLN A 36 4.050 7.413 3.864 1.00 0.00 C ATOM 551 CG GLN A 36 4.950 8.340 3.040 1.00 0.00 C ATOM 552 CD GLN A 36 4.246 9.681 2.829 1.00 0.00 C ATOM 553 OE1 GLN A 36 4.053 10.110 1.708 1.00 0.00 O ATOM 554 NE2 GLN A 36 3.851 10.367 3.866 1.00 0.00 N ATOM 0 H GLN A 36 3.318 5.327 5.362 1.00 0.00 H new ATOM 0 HA GLN A 36 4.726 5.703 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.020 7.484 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.053 7.722 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.899 8.493 3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.178 7.882 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.013 10.008 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.381 11.263 3.736 1.00 0.00 H new ATOM 563 N SER A 37 6.968 5.789 3.814 1.00 0.00 N ATOM 564 CA SER A 37 8.278 5.612 4.509 1.00 0.00 C ATOM 565 C SER A 37 8.406 6.628 5.649 1.00 0.00 C ATOM 566 O SER A 37 7.531 7.453 5.831 1.00 0.00 O ATOM 567 CB SER A 37 9.326 5.852 3.432 1.00 0.00 C ATOM 568 OG SER A 37 9.309 4.756 2.529 1.00 0.00 O ATOM 0 H SER A 37 7.025 5.904 2.802 1.00 0.00 H new ATOM 0 HA SER A 37 8.388 4.626 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.118 6.782 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.313 5.956 3.882 1.00 0.00 H new ATOM 0 HG SER A 37 10.169 4.288 2.566 1.00 0.00 H new ATOM 574 N PRO A 38 9.468 6.526 6.406 1.00 0.00 N ATOM 575 CA PRO A 38 9.643 7.437 7.547 1.00 0.00 C ATOM 576 C PRO A 38 10.252 8.776 7.135 1.00 0.00 C ATOM 577 O PRO A 38 10.481 9.626 7.975 1.00 0.00 O ATOM 578 CB PRO A 38 10.588 6.679 8.468 1.00 0.00 C ATOM 579 CG PRO A 38 11.354 5.746 7.582 1.00 0.00 C ATOM 580 CD PRO A 38 10.582 5.580 6.290 1.00 0.00 C ATOM 0 HA PRO A 38 8.691 7.692 8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.258 7.362 8.990 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.035 6.130 9.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.349 6.143 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.488 4.781 8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.205 5.804 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.224 4.558 6.170 1.00 0.00 H new ATOM 588 N THR A 39 10.531 8.998 5.874 1.00 0.00 N ATOM 589 CA THR A 39 11.132 10.315 5.515 1.00 0.00 C ATOM 590 C THR A 39 11.073 10.614 4.009 1.00 0.00 C ATOM 591 O THR A 39 11.836 11.418 3.512 1.00 0.00 O ATOM 592 CB THR A 39 12.577 10.220 6.003 1.00 0.00 C ATOM 593 OG1 THR A 39 13.234 11.459 5.777 1.00 0.00 O ATOM 594 CG2 THR A 39 13.309 9.104 5.255 1.00 0.00 C ATOM 0 H THR A 39 10.375 8.348 5.103 1.00 0.00 H new ATOM 0 HA THR A 39 10.581 11.136 5.974 1.00 0.00 H new ATOM 0 HB THR A 39 12.582 9.994 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.926 11.843 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.338 9.043 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.806 8.154 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.305 9.319 4.186 1.00 0.00 H new ATOM 602 N GLY A 40 10.163 10.019 3.282 1.00 0.00 N ATOM 603 CA GLY A 40 10.072 10.343 1.825 1.00 0.00 C ATOM 604 C GLY A 40 10.047 9.081 0.959 1.00 0.00 C ATOM 605 O GLY A 40 11.062 8.640 0.455 1.00 0.00 O ATOM 0 H GLY A 40 9.489 9.334 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.172 10.929 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.921 10.964 1.538 1.00 0.00 H new ATOM 609 N ASP A 41 8.881 8.525 0.757 1.00 0.00 N ATOM 610 CA ASP A 41 8.731 7.309 -0.105 1.00 0.00 C ATOM 611 C ASP A 41 7.322 6.741 0.073 1.00 0.00 C ATOM 612 O ASP A 41 6.943 6.327 1.152 1.00 0.00 O ATOM 613 CB ASP A 41 9.783 6.301 0.367 1.00 0.00 C ATOM 614 CG ASP A 41 10.885 6.179 -0.688 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.575 5.767 -1.794 1.00 0.00 O ATOM 616 OD2 ASP A 41 12.019 6.499 -0.374 1.00 0.00 O ATOM 0 H ASP A 41 8.009 8.867 1.160 1.00 0.00 H new ATOM 0 HA ASP A 41 8.873 7.539 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.209 6.623 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.320 5.329 0.538 1.00 0.00 H new ATOM 621 N ARG A 42 6.538 6.733 -0.971 1.00 0.00 N ATOM 622 CA ARG A 42 5.145 6.210 -0.856 1.00 0.00 C ATOM 623 C ARG A 42 5.134 4.679 -0.900 1.00 0.00 C ATOM 624 O ARG A 42 5.829 4.062 -1.684 1.00 0.00 O ATOM 625 CB ARG A 42 4.406 6.787 -2.064 1.00 0.00 C ATOM 626 CG ARG A 42 2.934 7.004 -1.705 1.00 0.00 C ATOM 627 CD ARG A 42 2.814 8.159 -0.707 1.00 0.00 C ATOM 628 NE ARG A 42 2.280 9.302 -1.501 1.00 0.00 N ATOM 629 CZ ARG A 42 2.351 10.516 -1.027 1.00 0.00 C ATOM 630 NH1 ARG A 42 3.510 11.032 -0.724 1.00 0.00 N ATOM 631 NH2 ARG A 42 1.262 11.215 -0.858 1.00 0.00 N ATOM 0 H ARG A 42 6.801 7.066 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 42 4.679 6.496 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.861 7.731 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.488 6.108 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.359 7.225 -2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.516 6.094 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.145 7.903 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.781 8.402 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 42 1.859 9.135 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.362 10.487 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.565 11.981 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.356 10.813 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.317 12.164 -0.488 1.00 0.00 H new ATOM 645 N ILE A 43 4.340 4.068 -0.062 1.00 0.00 N ATOM 646 CA ILE A 43 4.260 2.581 -0.039 1.00 0.00 C ATOM 647 C ILE A 43 2.796 2.158 0.113 1.00 0.00 C ATOM 648 O ILE A 43 1.989 2.887 0.655 1.00 0.00 O ATOM 649 CB ILE A 43 5.099 2.171 1.177 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.580 2.218 0.795 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.734 0.753 1.630 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.437 2.144 2.058 1.00 0.00 C ATOM 0 H ILE A 43 3.739 4.541 0.613 1.00 0.00 H new ATOM 0 HA ILE A 43 4.629 2.109 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 43 4.899 2.860 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.821 1.388 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.796 3.137 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.340 0.480 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.679 0.718 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.923 0.051 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.492 2.178 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.203 2.988 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.228 1.213 2.585 1.00 0.00 H new ATOM 664 N ARG A 44 2.439 1.000 -0.374 1.00 0.00 N ATOM 665 CA ARG A 44 1.015 0.564 -0.261 1.00 0.00 C ATOM 666 C ARG A 44 0.905 -0.883 0.229 1.00 0.00 C ATOM 667 O ARG A 44 -0.186 -1.394 0.398 1.00 0.00 O ATOM 668 CB ARG A 44 0.450 0.679 -1.678 1.00 0.00 C ATOM 669 CG ARG A 44 0.753 2.064 -2.251 1.00 0.00 C ATOM 670 CD ARG A 44 -0.155 2.323 -3.454 1.00 0.00 C ATOM 671 NE ARG A 44 -0.424 3.786 -3.422 1.00 0.00 N ATOM 672 CZ ARG A 44 -1.008 4.364 -4.436 1.00 0.00 C ATOM 673 NH1 ARG A 44 -2.282 4.177 -4.647 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.318 5.127 -5.240 1.00 0.00 N ATOM 0 H ARG A 44 3.063 0.342 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 44 0.473 1.175 0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.885 -0.091 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.627 0.510 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.594 2.828 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.799 2.125 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.330 2.031 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.079 1.750 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.152 4.337 -2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.821 3.580 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.739 4.628 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.678 5.272 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.775 5.578 -6.032 1.00 0.00 H new ATOM 688 N SER A 45 2.003 -1.561 0.454 1.00 0.00 N ATOM 689 CA SER A 45 1.892 -2.974 0.922 1.00 0.00 C ATOM 690 C SER A 45 3.194 -3.456 1.566 1.00 0.00 C ATOM 691 O SER A 45 4.066 -2.677 1.900 1.00 0.00 O ATOM 692 CB SER A 45 1.585 -3.774 -0.341 1.00 0.00 C ATOM 693 OG SER A 45 0.175 -3.887 -0.493 1.00 0.00 O ATOM 0 H SER A 45 2.952 -1.206 0.337 1.00 0.00 H new ATOM 0 HA SER A 45 1.124 -3.088 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.018 -3.282 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.036 -4.764 -0.277 1.00 0.00 H new ATOM 0 HG SER A 45 -0.240 -3.010 -0.355 1.00 0.00 H new ATOM 699 N LYS A 46 3.317 -4.744 1.748 1.00 0.00 N ATOM 700 CA LYS A 46 4.541 -5.310 2.378 1.00 0.00 C ATOM 701 C LYS A 46 5.730 -5.185 1.422 1.00 0.00 C ATOM 702 O LYS A 46 6.785 -4.713 1.799 1.00 0.00 O ATOM 703 CB LYS A 46 4.181 -6.777 2.648 1.00 0.00 C ATOM 704 CG LYS A 46 5.441 -7.648 2.674 1.00 0.00 C ATOM 705 CD LYS A 46 5.268 -8.751 3.717 1.00 0.00 C ATOM 706 CE LYS A 46 5.890 -8.296 5.038 1.00 0.00 C ATOM 707 NZ LYS A 46 5.039 -8.911 6.095 1.00 0.00 N ATOM 0 H LYS A 46 2.613 -5.433 1.484 1.00 0.00 H new ATOM 0 HA LYS A 46 4.835 -4.792 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.657 -6.859 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.500 -7.137 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.616 -8.085 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.313 -7.039 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.210 -8.973 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.744 -9.670 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.925 -8.627 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.896 -7.209 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.636 -9.204 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.338 -8.217 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.548 -9.742 5.706 1.00 0.00 H new ATOM 721 N VAL A 47 5.573 -5.593 0.188 1.00 0.00 N ATOM 722 CA VAL A 47 6.704 -5.479 -0.775 1.00 0.00 C ATOM 723 C VAL A 47 7.211 -4.035 -0.790 1.00 0.00 C ATOM 724 O VAL A 47 8.366 -3.778 -0.524 1.00 0.00 O ATOM 725 CB VAL A 47 6.105 -5.880 -2.124 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.837 -5.170 -3.266 1.00 0.00 C ATOM 727 CG2 VAL A 47 6.228 -7.393 -2.306 1.00 0.00 C ATOM 0 H VAL A 47 4.716 -5.997 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 47 7.557 -6.108 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 47 5.055 -5.589 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.399 -5.466 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.743 -4.091 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.891 -5.447 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.801 -7.680 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.279 -7.679 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.691 -7.901 -1.505 1.00 0.00 H new ATOM 737 N GLU A 48 6.349 -3.087 -1.078 1.00 0.00 N ATOM 738 CA GLU A 48 6.784 -1.656 -1.086 1.00 0.00 C ATOM 739 C GLU A 48 7.538 -1.350 0.209 1.00 0.00 C ATOM 740 O GLU A 48 8.556 -0.681 0.212 1.00 0.00 O ATOM 741 CB GLU A 48 5.494 -0.838 -1.172 1.00 0.00 C ATOM 742 CG GLU A 48 5.262 -0.402 -2.620 1.00 0.00 C ATOM 743 CD GLU A 48 5.827 1.004 -2.829 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.024 1.172 -2.662 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.053 1.890 -3.153 1.00 0.00 O ATOM 0 H GLU A 48 5.367 -3.243 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 48 7.452 -1.425 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.650 -1.432 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.561 0.036 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.742 -1.103 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.196 -0.414 -2.848 1.00 0.00 H new ATOM 752 N LEU A 49 7.061 -1.872 1.309 1.00 0.00 N ATOM 753 CA LEU A 49 7.765 -1.654 2.600 1.00 0.00 C ATOM 754 C LEU A 49 9.139 -2.308 2.509 1.00 0.00 C ATOM 755 O LEU A 49 10.132 -1.780 2.968 1.00 0.00 O ATOM 756 CB LEU A 49 6.903 -2.358 3.650 1.00 0.00 C ATOM 757 CG LEU A 49 6.886 -1.534 4.936 1.00 0.00 C ATOM 758 CD1 LEU A 49 5.871 -0.402 4.795 1.00 0.00 C ATOM 759 CD2 LEU A 49 6.491 -2.427 6.118 1.00 0.00 C ATOM 0 H LEU A 49 6.215 -2.439 1.366 1.00 0.00 H new ATOM 0 HA LEU A 49 7.903 -0.601 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.888 -2.486 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.297 -3.354 3.850 1.00 0.00 H new ATOM 0 HG LEU A 49 7.878 -1.120 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.855 0.189 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.151 0.236 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.881 -0.821 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.480 -1.835 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.499 -2.844 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.213 -3.238 6.219 1.00 0.00 H new ATOM 771 N THR A 50 9.190 -3.455 1.891 1.00 0.00 N ATOM 772 CA THR A 50 10.483 -4.169 1.726 1.00 0.00 C ATOM 773 C THR A 50 11.380 -3.404 0.742 1.00 0.00 C ATOM 774 O THR A 50 12.565 -3.655 0.651 1.00 0.00 O ATOM 775 CB THR A 50 10.097 -5.542 1.165 1.00 0.00 C ATOM 776 OG1 THR A 50 9.280 -6.222 2.109 1.00 0.00 O ATOM 777 CG2 THR A 50 11.356 -6.364 0.898 1.00 0.00 C ATOM 0 H THR A 50 8.382 -3.931 1.490 1.00 0.00 H new ATOM 0 HA THR A 50 11.042 -4.255 2.658 1.00 0.00 H new ATOM 0 HB THR A 50 9.550 -5.410 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.374 -5.849 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.076 -7.339 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.984 -5.843 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.908 -6.497 1.829 1.00 0.00 H new ATOM 785 N ARG A 51 10.826 -2.467 0.010 1.00 0.00 N ATOM 786 CA ARG A 51 11.655 -1.688 -0.956 1.00 0.00 C ATOM 787 C ARG A 51 12.475 -0.633 -0.210 1.00 0.00 C ATOM 788 O ARG A 51 13.690 -0.624 -0.265 1.00 0.00 O ATOM 789 CB ARG A 51 10.662 -1.009 -1.902 1.00 0.00 C ATOM 790 CG ARG A 51 9.808 -2.065 -2.606 1.00 0.00 C ATOM 791 CD ARG A 51 10.704 -2.972 -3.454 1.00 0.00 C ATOM 792 NE ARG A 51 9.964 -3.159 -4.733 1.00 0.00 N ATOM 793 CZ ARG A 51 10.610 -3.479 -5.820 1.00 0.00 C ATOM 794 NH1 ARG A 51 11.220 -2.557 -6.512 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.648 -4.722 -6.215 1.00 0.00 N ATOM 0 H ARG A 51 9.839 -2.211 0.041 1.00 0.00 H new ATOM 0 HA ARG A 51 12.354 -2.327 -1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.023 -0.326 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.199 -0.412 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.266 -2.659 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.062 -1.582 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.679 -2.515 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.882 -3.926 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 51 8.952 -3.037 -4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.192 -1.585 -6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.725 -2.808 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.172 -5.444 -5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.153 -4.972 -7.065 1.00 0.00 H new ATOM 809 N TYR A 52 11.818 0.259 0.489 1.00 0.00 N ATOM 810 CA TYR A 52 12.564 1.317 1.242 1.00 0.00 C ATOM 811 C TYR A 52 13.554 0.671 2.214 1.00 0.00 C ATOM 812 O TYR A 52 14.646 1.163 2.423 1.00 0.00 O ATOM 813 CB TYR A 52 11.493 2.101 2.009 1.00 0.00 C ATOM 814 CG TYR A 52 12.134 3.254 2.757 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.916 3.006 3.892 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.945 4.570 2.315 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.508 4.072 4.580 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.536 5.634 3.003 1.00 0.00 C ATOM 819 CZ TYR A 52 13.317 5.386 4.136 1.00 0.00 C ATOM 820 OH TYR A 52 13.900 6.436 4.815 1.00 0.00 O ATOM 0 H TYR A 52 10.802 0.302 0.571 1.00 0.00 H new ATOM 0 HA TYR A 52 13.140 1.963 0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.741 2.479 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.979 1.442 2.709 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.062 1.993 4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.341 4.763 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.113 3.881 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.389 6.647 2.659 1.00 0.00 H new ATOM 0 HH TYR A 52 14.503 6.920 4.213 1.00 0.00 H new ATOM 830 N LEU A 53 13.175 -0.427 2.811 1.00 0.00 N ATOM 831 CA LEU A 53 14.086 -1.110 3.776 1.00 0.00 C ATOM 832 C LEU A 53 15.202 -1.853 3.031 1.00 0.00 C ATOM 833 O LEU A 53 16.114 -2.383 3.636 1.00 0.00 O ATOM 834 CB LEU A 53 13.194 -2.097 4.531 1.00 0.00 C ATOM 835 CG LEU A 53 12.071 -1.338 5.241 1.00 0.00 C ATOM 836 CD1 LEU A 53 10.914 -2.294 5.528 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.594 -0.766 6.559 1.00 0.00 C ATOM 0 H LEU A 53 12.272 -0.882 2.672 1.00 0.00 H new ATOM 0 HA LEU A 53 14.575 -0.404 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.772 -2.825 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.785 -2.654 5.258 1.00 0.00 H new ATOM 0 HG LEU A 53 11.724 -0.525 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.113 -1.755 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.539 -2.704 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.263 -3.107 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.794 -0.225 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.941 -1.579 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.421 -0.085 6.357 1.00 0.00 H new ATOM 849 N GLY A 54 15.139 -1.900 1.725 1.00 0.00 N ATOM 850 CA GLY A 54 16.197 -2.610 0.950 1.00 0.00 C ATOM 851 C GLY A 54 15.672 -3.978 0.506 1.00 0.00 C ATOM 852 O GLY A 54 14.814 -4.547 1.149 1.00 0.00 O ATOM 0 H GLY A 54 14.400 -1.477 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.484 -2.019 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.091 -2.732 1.562 1.00 0.00 H new ATOM 856 N PRO A 55 16.205 -4.464 -0.587 1.00 0.00 N ATOM 857 CA PRO A 55 15.775 -5.783 -1.116 1.00 0.00 C ATOM 858 C PRO A 55 16.285 -6.912 -0.217 1.00 0.00 C ATOM 859 O PRO A 55 15.698 -7.974 -0.144 1.00 0.00 O ATOM 860 CB PRO A 55 16.426 -5.846 -2.496 1.00 0.00 C ATOM 861 CG PRO A 55 17.604 -4.929 -2.409 1.00 0.00 C ATOM 862 CD PRO A 55 17.245 -3.849 -1.422 1.00 0.00 C ATOM 0 HA PRO A 55 14.692 -5.896 -1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.734 -6.862 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.733 -5.526 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.492 -5.471 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.833 -4.500 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.108 -3.548 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.877 -2.955 -1.925 1.00 0.00 H new ATOM 870 N ALA A 56 17.373 -6.690 0.472 1.00 0.00 N ATOM 871 CA ALA A 56 17.920 -7.748 1.371 1.00 0.00 C ATOM 872 C ALA A 56 17.165 -7.753 2.705 1.00 0.00 C ATOM 873 O ALA A 56 17.217 -8.711 3.451 1.00 0.00 O ATOM 874 CB ALA A 56 19.385 -7.368 1.587 1.00 0.00 C ATOM 0 H ALA A 56 17.907 -5.821 0.451 1.00 0.00 H new ATOM 0 HA ALA A 56 17.816 -8.745 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.858 -8.101 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.902 -7.350 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.441 -6.382 2.048 1.00 0.00 H new ATOM 880 N CYS A 57 16.467 -6.691 3.012 1.00 0.00 N ATOM 881 CA CYS A 57 15.712 -6.636 4.297 1.00 0.00 C ATOM 882 C CYS A 57 14.316 -7.239 4.119 1.00 0.00 C ATOM 883 O CYS A 57 13.649 -7.003 3.131 1.00 0.00 O ATOM 884 CB CYS A 57 15.614 -5.148 4.636 1.00 0.00 C ATOM 885 SG CYS A 57 15.399 -4.948 6.422 1.00 0.00 S ATOM 0 H CYS A 57 16.388 -5.859 2.427 1.00 0.00 H new ATOM 0 HA CYS A 57 16.203 -7.203 5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.514 -4.629 4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.775 -4.698 4.105 1.00 0.00 H new ATOM 0 HG CYS A 57 15.318 -3.683 6.710 1.00 0.00 H new ATOM 891 N ASP A 58 13.872 -8.018 5.069 1.00 0.00 N ATOM 892 CA ASP A 58 12.520 -8.639 4.959 1.00 0.00 C ATOM 893 C ASP A 58 11.610 -8.128 6.081 1.00 0.00 C ATOM 894 O ASP A 58 12.048 -7.434 6.977 1.00 0.00 O ATOM 895 CB ASP A 58 12.762 -10.141 5.110 1.00 0.00 C ATOM 896 CG ASP A 58 12.816 -10.795 3.728 1.00 0.00 C ATOM 897 OD1 ASP A 58 13.640 -10.379 2.930 1.00 0.00 O ATOM 898 OD2 ASP A 58 12.032 -11.698 3.491 1.00 0.00 O ATOM 0 H ASP A 58 14.388 -8.251 5.917 1.00 0.00 H new ATOM 0 HA ASP A 58 12.030 -8.397 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.696 -10.317 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.966 -10.590 5.705 1.00 0.00 H new ATOM 903 N LEU A 59 10.351 -8.472 6.038 1.00 0.00 N ATOM 904 CA LEU A 59 9.413 -8.011 7.105 1.00 0.00 C ATOM 905 C LEU A 59 8.426 -9.128 7.453 1.00 0.00 C ATOM 906 O LEU A 59 7.226 -8.935 7.439 1.00 0.00 O ATOM 907 CB LEU A 59 8.672 -6.814 6.501 1.00 0.00 C ATOM 908 CG LEU A 59 9.647 -5.656 6.267 1.00 0.00 C ATOM 909 CD1 LEU A 59 8.892 -4.471 5.658 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.278 -5.231 7.600 1.00 0.00 C ATOM 0 H LEU A 59 9.931 -9.052 5.312 1.00 0.00 H new ATOM 0 HA LEU A 59 9.935 -7.743 8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.205 -7.103 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.872 -6.497 7.169 1.00 0.00 H new ATOM 0 HG LEU A 59 10.433 -5.979 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.584 -3.646 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.449 -4.771 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.105 -4.151 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.971 -4.407 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.495 -4.910 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.817 -6.074 8.033 1.00 0.00 H new ATOM 922 N THR A 60 8.922 -10.296 7.758 1.00 0.00 N ATOM 923 CA THR A 60 8.013 -11.429 8.102 1.00 0.00 C ATOM 924 C THR A 60 7.219 -11.119 9.377 1.00 0.00 C ATOM 925 O THR A 60 6.237 -11.769 9.677 1.00 0.00 O ATOM 926 CB THR A 60 8.934 -12.633 8.324 1.00 0.00 C ATOM 927 OG1 THR A 60 10.101 -12.496 7.524 1.00 0.00 O ATOM 928 CG2 THR A 60 8.198 -13.916 7.936 1.00 0.00 C ATOM 0 H THR A 60 9.918 -10.516 7.784 1.00 0.00 H new ATOM 0 HA THR A 60 7.282 -11.614 7.315 1.00 0.00 H new ATOM 0 HB THR A 60 9.220 -12.680 9.375 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.689 -13.266 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.853 -14.773 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.305 -14.024 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.911 -13.867 6.886 1.00 0.00 H new ATOM 936 N LEU A 61 7.636 -10.135 10.132 1.00 0.00 N ATOM 937 CA LEU A 61 6.902 -9.796 11.388 1.00 0.00 C ATOM 938 C LEU A 61 6.020 -8.559 11.182 1.00 0.00 C ATOM 939 O LEU A 61 5.527 -7.978 12.130 1.00 0.00 O ATOM 940 CB LEU A 61 7.993 -9.505 12.420 1.00 0.00 C ATOM 941 CG LEU A 61 8.880 -10.741 12.593 1.00 0.00 C ATOM 942 CD1 LEU A 61 10.286 -10.306 13.017 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.280 -11.655 13.667 1.00 0.00 C ATOM 0 H LEU A 61 8.450 -9.553 9.934 1.00 0.00 H new ATOM 0 HA LEU A 61 6.242 -10.604 11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.595 -8.655 12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.542 -9.232 13.374 1.00 0.00 H new ATOM 0 HG LEU A 61 8.938 -11.282 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.917 -11.186 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.713 -9.658 12.252 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.230 -9.765 13.961 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.911 -12.535 13.790 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.221 -11.116 14.612 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.280 -11.966 13.363 1.00 0.00 H new ATOM 955 N PHE A 62 5.814 -8.150 9.957 1.00 0.00 N ATOM 956 CA PHE A 62 4.959 -6.953 9.707 1.00 0.00 C ATOM 957 C PHE A 62 3.615 -7.376 9.114 1.00 0.00 C ATOM 958 O PHE A 62 3.541 -7.865 8.003 1.00 0.00 O ATOM 959 CB PHE A 62 5.744 -6.100 8.703 1.00 0.00 C ATOM 960 CG PHE A 62 4.868 -4.975 8.196 1.00 0.00 C ATOM 961 CD1 PHE A 62 4.064 -5.169 7.066 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.859 -3.739 8.856 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.251 -4.131 6.597 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.045 -2.700 8.384 1.00 0.00 C ATOM 965 CZ PHE A 62 3.242 -2.897 7.255 1.00 0.00 C ATOM 0 H PHE A 62 6.199 -8.592 9.122 1.00 0.00 H new ATOM 0 HA PHE A 62 4.743 -6.405 10.624 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.637 -5.693 9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.078 -6.718 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.071 -6.121 6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.479 -3.587 9.727 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.630 -4.283 5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.038 -1.747 8.892 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.615 -2.096 6.892 1.00 0.00 H new ATOM 975 N ASP A 63 2.549 -7.180 9.840 1.00 0.00 N ATOM 976 CA ASP A 63 1.208 -7.558 9.312 1.00 0.00 C ATOM 977 C ASP A 63 0.685 -6.445 8.399 1.00 0.00 C ATOM 978 O ASP A 63 0.461 -5.330 8.830 1.00 0.00 O ATOM 979 CB ASP A 63 0.320 -7.709 10.547 1.00 0.00 C ATOM 980 CG ASP A 63 0.412 -9.145 11.069 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.507 -9.681 11.082 1.00 0.00 O ATOM 982 OD2 ASP A 63 -0.615 -9.683 11.447 1.00 0.00 O ATOM 0 H ASP A 63 2.549 -6.774 10.776 1.00 0.00 H new ATOM 0 HA ASP A 63 1.231 -8.475 8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.633 -7.009 11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.713 -7.467 10.297 1.00 0.00 H new ATOM 987 N PHE A 64 0.503 -6.736 7.138 1.00 0.00 N ATOM 988 CA PHE A 64 0.009 -5.696 6.181 1.00 0.00 C ATOM 989 C PHE A 64 -1.240 -4.993 6.734 1.00 0.00 C ATOM 990 O PHE A 64 -1.264 -3.788 6.891 1.00 0.00 O ATOM 991 CB PHE A 64 -0.320 -6.472 4.899 1.00 0.00 C ATOM 992 CG PHE A 64 -1.142 -5.610 3.968 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.509 -4.762 3.051 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.540 -5.663 4.023 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.276 -3.965 2.191 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.305 -4.866 3.163 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.674 -4.019 2.247 1.00 0.00 C ATOM 0 H PHE A 64 0.675 -7.653 6.726 1.00 0.00 H new ATOM 0 HA PHE A 64 0.746 -4.911 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.601 -6.780 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.869 -7.381 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.569 -4.722 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.028 -6.319 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.789 -3.309 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.383 -4.906 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.265 -3.406 1.582 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.278 -5.734 7.020 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.525 -5.103 7.549 1.00 0.00 C ATOM 1009 C LYS A 65 -3.241 -4.352 8.855 1.00 0.00 C ATOM 1010 O LYS A 65 -3.533 -3.178 8.980 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.486 -6.266 7.796 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.914 -5.824 7.468 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.075 -5.698 5.951 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.385 -4.974 5.633 1.00 0.00 C ATOM 1015 NZ LYS A 65 -7.843 -5.557 4.342 1.00 0.00 N ATOM 0 H LYS A 65 -2.317 -6.747 6.911 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.937 -4.372 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.207 -7.120 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.423 -6.590 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.629 -6.547 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.129 -4.869 7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.233 -5.149 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.073 -6.686 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.123 -5.129 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.231 -3.898 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.138 -4.793 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.064 -6.092 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.647 -6.194 4.514 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.683 -5.018 9.830 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.390 -4.340 11.129 1.00 0.00 C ATOM 1031 C GLN A 66 -1.449 -3.151 10.916 1.00 0.00 C ATOM 1032 O GLN A 66 -1.757 -2.033 11.280 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.713 -5.406 11.994 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.661 -6.596 12.185 1.00 0.00 C ATOM 1035 CD GLN A 66 -3.171 -6.617 13.628 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -4.244 -6.120 13.913 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -2.444 -7.176 14.555 1.00 0.00 N ATOM 0 H GLN A 66 -2.417 -6.002 9.785 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.294 -3.948 11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.788 -5.738 11.522 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.443 -4.985 12.962 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.500 -6.521 11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.143 -7.528 11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.544 -7.593 14.316 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.775 -7.197 15.520 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.300 -3.382 10.335 1.00 0.00 N ATOM 1047 CA GLY A 67 0.658 -2.263 10.109 1.00 0.00 C ATOM 1048 C GLY A 67 1.550 -2.110 11.342 1.00 0.00 C ATOM 1049 O GLY A 67 1.843 -1.014 11.777 1.00 0.00 O ATOM 0 H GLY A 67 0.014 -4.296 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.267 -2.462 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.116 -1.336 9.920 1.00 0.00 H new ATOM 1053 N ILE A 68 1.978 -3.206 11.908 1.00 0.00 N ATOM 1054 CA ILE A 68 2.850 -3.139 13.118 1.00 0.00 C ATOM 1055 C ILE A 68 3.804 -4.333 13.149 1.00 0.00 C ATOM 1056 O ILE A 68 3.682 -5.258 12.369 1.00 0.00 O ATOM 1057 CB ILE A 68 1.909 -3.190 14.331 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.649 -4.007 14.008 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.504 -1.767 14.718 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.038 -5.455 13.707 1.00 0.00 C ATOM 0 H ILE A 68 1.761 -4.149 11.584 1.00 0.00 H new ATOM 0 HA ILE A 68 3.454 -2.232 13.119 1.00 0.00 H new ATOM 0 HB ILE A 68 2.433 -3.668 15.159 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.044 -3.973 14.849 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.132 -3.573 13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.836 -1.800 15.579 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.394 -1.192 14.972 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.993 -1.294 13.880 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.142 -6.032 13.478 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.714 -5.480 12.852 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.535 -5.886 14.576 1.00 0.00 H new ATOM 1072 N LEU A 69 4.748 -4.321 14.050 1.00 0.00 N ATOM 1073 CA LEU A 69 5.707 -5.457 14.141 1.00 0.00 C ATOM 1074 C LEU A 69 5.356 -6.336 15.344 1.00 0.00 C ATOM 1075 O LEU A 69 5.922 -6.199 16.411 1.00 0.00 O ATOM 1076 CB LEU A 69 7.079 -4.807 14.334 1.00 0.00 C ATOM 1077 CG LEU A 69 7.851 -4.827 13.012 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.175 -4.081 13.184 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.134 -6.274 12.601 1.00 0.00 C ATOM 0 H LEU A 69 4.896 -3.573 14.727 1.00 0.00 H new ATOM 0 HA LEU A 69 5.683 -6.094 13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.960 -3.781 14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.640 -5.340 15.102 1.00 0.00 H new ATOM 0 HG LEU A 69 7.254 -4.342 12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.725 -4.095 12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.976 -3.049 13.473 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.768 -4.567 13.959 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.684 -6.284 11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.728 -6.762 13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.192 -6.808 12.477 1.00 0.00 H new