USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 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 Single : A 8 CYS SG : rot 35:sc= -0.183 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 24 SER OG : rot 180:sc= -0.881 USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.69! USER MOD Single : A 28 CYS SG : rot 29:sc= 0.482 USER MOD Single : A 31 SER OG : rot 180:sc= 0 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 -9:sc= 0.948 USER MOD Single : A 36 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.2!) USER MOD Single : A 37 SER OG : rot -45:sc= -0.301 USER MOD Single : A 39 THR OG1 : rot -35:sc= 0.808 USER MOD Single : A 45 SER OG : rot -51:sc= 0.586! USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.152 (180deg=-0.583) USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.337 USER MOD Single : A 52 TYR OH : rot 94:sc= 0.676 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.274 X(o=0.27,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.206 9.813 9.456 1.00 0.00 N ATOM 56 CA TRP A 5 -2.884 9.130 9.347 1.00 0.00 C ATOM 57 C TRP A 5 -2.323 8.843 10.744 1.00 0.00 C ATOM 58 O TRP A 5 -2.146 9.738 11.547 1.00 0.00 O ATOM 59 CB TRP A 5 -1.984 10.116 8.601 1.00 0.00 C ATOM 60 CG TRP A 5 -2.142 9.917 7.128 1.00 0.00 C ATOM 61 CD1 TRP A 5 -2.961 10.639 6.330 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.479 8.948 6.264 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.844 10.176 5.031 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.943 9.134 4.940 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.532 7.935 6.498 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.482 8.344 3.886 1.00 0.00 C ATOM 67 CZ3 TRP A 5 -0.065 7.139 5.440 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.540 7.342 4.137 1.00 0.00 C ATOM 0 HA TRP A 5 -2.956 8.174 8.828 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.245 11.139 8.871 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.944 9.966 8.890 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.602 11.446 6.654 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.360 10.558 4.238 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.161 7.768 7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.850 8.506 2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.664 6.366 5.631 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.179 6.725 3.328 1.00 0.00 H new ATOM 79 N LEU A 6 -2.046 7.601 11.037 1.00 0.00 N ATOM 80 CA LEU A 6 -1.500 7.253 12.380 1.00 0.00 C ATOM 81 C LEU A 6 -0.039 6.814 12.261 1.00 0.00 C ATOM 82 O LEU A 6 0.421 6.436 11.202 1.00 0.00 O ATOM 83 CB LEU A 6 -2.370 6.095 12.870 1.00 0.00 C ATOM 84 CG LEU A 6 -3.807 6.583 13.061 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.742 5.381 13.193 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.891 7.435 14.330 1.00 0.00 C ATOM 0 H LEU A 6 -2.174 6.812 10.404 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.520 8.099 13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.345 5.277 12.150 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.979 5.705 13.810 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.104 7.181 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.766 5.730 13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.683 4.773 12.290 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.445 4.782 14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.915 7.783 14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.593 6.836 15.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.225 8.293 14.237 1.00 0.00 H new ATOM 98 N ASP A 7 0.693 6.858 13.343 1.00 0.00 N ATOM 99 CA ASP A 7 2.127 6.443 13.298 1.00 0.00 C ATOM 100 C ASP A 7 2.248 5.011 12.765 1.00 0.00 C ATOM 101 O ASP A 7 1.263 4.374 12.445 1.00 0.00 O ATOM 102 CB ASP A 7 2.608 6.518 14.748 1.00 0.00 C ATOM 103 CG ASP A 7 3.180 7.909 15.024 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.596 8.872 14.556 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.194 7.988 15.700 1.00 0.00 O ATOM 0 H ASP A 7 0.360 7.164 14.257 1.00 0.00 H new ATOM 0 HA ASP A 7 2.719 7.078 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.781 6.312 15.428 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.368 5.758 14.930 1.00 0.00 H new ATOM 110 N CYS A 8 3.448 4.504 12.668 1.00 0.00 N ATOM 111 CA CYS A 8 3.635 3.116 12.157 1.00 0.00 C ATOM 112 C CYS A 8 4.939 2.526 12.708 1.00 0.00 C ATOM 113 O CYS A 8 5.980 2.645 12.094 1.00 0.00 O ATOM 114 CB CYS A 8 3.701 3.262 10.636 1.00 0.00 C ATOM 115 SG CYS A 8 3.917 1.633 9.875 1.00 0.00 S ATOM 0 H CYS A 8 4.307 4.992 12.921 1.00 0.00 H new ATOM 0 HA CYS A 8 2.832 2.445 12.463 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.788 3.729 10.266 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.528 3.916 10.359 1.00 0.00 H new ATOM 0 HG CYS A 8 3.271 0.742 10.567 1.00 0.00 H new ATOM 121 N PRO A 9 4.835 1.908 13.856 1.00 0.00 N ATOM 122 CA PRO A 9 6.020 1.289 14.505 1.00 0.00 C ATOM 123 C PRO A 9 6.475 0.036 13.757 1.00 0.00 C ATOM 124 O PRO A 9 7.495 -0.544 14.074 1.00 0.00 O ATOM 125 CB PRO A 9 5.517 0.910 15.891 1.00 0.00 C ATOM 126 CG PRO A 9 4.036 0.776 15.743 1.00 0.00 C ATOM 127 CD PRO A 9 3.615 1.726 14.654 1.00 0.00 C ATOM 0 HA PRO A 9 6.877 1.962 14.521 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.965 -0.023 16.232 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.773 1.673 16.626 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.765 -0.248 15.487 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.532 1.015 16.679 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.803 1.313 14.055 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.260 2.672 15.063 1.00 0.00 H new ATOM 135 N ALA A 10 5.729 -0.397 12.779 1.00 0.00 N ATOM 136 CA ALA A 10 6.128 -1.623 12.034 1.00 0.00 C ATOM 137 C ALA A 10 7.529 -1.463 11.432 1.00 0.00 C ATOM 138 O ALA A 10 8.170 -2.429 11.067 1.00 0.00 O ATOM 139 CB ALA A 10 5.085 -1.777 10.926 1.00 0.00 C ATOM 0 H ALA A 10 4.864 0.043 12.465 1.00 0.00 H new ATOM 0 HA ALA A 10 6.166 -2.496 12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.313 -2.662 10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.095 -1.883 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.102 -0.896 10.285 1.00 0.00 H new ATOM 145 N LEU A 11 8.008 -0.253 11.318 1.00 0.00 N ATOM 146 CA LEU A 11 9.363 -0.041 10.733 1.00 0.00 C ATOM 147 C LEU A 11 10.215 0.833 11.657 1.00 0.00 C ATOM 148 O LEU A 11 11.177 0.375 12.244 1.00 0.00 O ATOM 149 CB LEU A 11 9.104 0.668 9.406 1.00 0.00 C ATOM 150 CG LEU A 11 8.326 -0.263 8.471 1.00 0.00 C ATOM 151 CD1 LEU A 11 6.844 0.116 8.495 1.00 0.00 C ATOM 152 CD2 LEU A 11 8.866 -0.124 7.043 1.00 0.00 C ATOM 0 H LEU A 11 7.520 0.596 11.604 1.00 0.00 H new ATOM 0 HA LEU A 11 9.909 -0.975 10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.539 1.585 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.049 0.956 8.945 1.00 0.00 H new ATOM 0 HG LEU A 11 8.444 -1.294 8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.288 -0.545 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.459 0.017 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.727 1.147 8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.312 -0.787 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.748 0.907 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.922 -0.393 7.026 1.00 0.00 H new ATOM 164 N GLY A 12 9.875 2.089 11.790 1.00 0.00 N ATOM 165 CA GLY A 12 10.673 2.988 12.675 1.00 0.00 C ATOM 166 C GLY A 12 10.048 4.388 12.696 1.00 0.00 C ATOM 167 O GLY A 12 8.873 4.544 12.433 1.00 0.00 O ATOM 0 H GLY A 12 9.081 2.530 11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.708 2.581 13.685 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.701 3.045 12.318 1.00 0.00 H new ATOM 171 N PRO A 13 10.860 5.365 13.020 1.00 0.00 N ATOM 172 CA PRO A 13 10.377 6.767 13.086 1.00 0.00 C ATOM 173 C PRO A 13 10.158 7.338 11.681 1.00 0.00 C ATOM 174 O PRO A 13 10.909 7.066 10.767 1.00 0.00 O ATOM 175 CB PRO A 13 11.509 7.506 13.794 1.00 0.00 C ATOM 176 CG PRO A 13 12.734 6.689 13.527 1.00 0.00 C ATOM 177 CD PRO A 13 12.288 5.260 13.354 1.00 0.00 C ATOM 0 HA PRO A 13 9.421 6.858 13.601 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.620 8.520 13.409 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.317 7.590 14.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.245 7.043 12.632 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.441 6.774 14.353 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.847 4.762 12.562 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.442 4.682 14.265 1.00 0.00 H new ATOM 185 N GLY A 14 9.136 8.134 11.511 1.00 0.00 N ATOM 186 CA GLY A 14 8.861 8.734 10.175 1.00 0.00 C ATOM 187 C GLY A 14 7.759 7.940 9.469 1.00 0.00 C ATOM 188 O GLY A 14 6.988 8.478 8.700 1.00 0.00 O ATOM 0 H GLY A 14 8.477 8.395 12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.557 9.774 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.768 8.731 9.571 1.00 0.00 H new ATOM 192 N TRP A 15 7.701 6.656 9.703 1.00 0.00 N ATOM 193 CA TRP A 15 6.672 5.812 9.023 1.00 0.00 C ATOM 194 C TRP A 15 5.256 6.196 9.459 1.00 0.00 C ATOM 195 O TRP A 15 4.999 6.469 10.614 1.00 0.00 O ATOM 196 CB TRP A 15 6.993 4.381 9.447 1.00 0.00 C ATOM 197 CG TRP A 15 8.049 3.826 8.548 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.357 3.702 8.870 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.913 3.324 7.187 1.00 0.00 C ATOM 200 NE1 TRP A 15 10.030 3.148 7.797 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.184 2.900 6.735 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.819 3.194 6.310 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.367 2.367 5.460 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.001 2.659 5.024 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.272 2.246 4.601 1.00 0.00 C ATOM 0 H TRP A 15 8.322 6.153 10.337 1.00 0.00 H new ATOM 0 HA TRP A 15 6.700 5.941 7.941 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.334 4.364 10.482 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.096 3.764 9.397 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.803 3.989 9.811 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.030 2.947 7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.835 3.507 6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.348 2.050 5.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.157 2.565 4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.405 1.834 3.611 1.00 0.00 H new ATOM 216 N LYS A 16 4.336 6.203 8.531 1.00 0.00 N ATOM 217 CA LYS A 16 2.923 6.550 8.863 1.00 0.00 C ATOM 218 C LYS A 16 1.983 5.531 8.213 1.00 0.00 C ATOM 219 O LYS A 16 2.216 5.082 7.109 1.00 0.00 O ATOM 220 CB LYS A 16 2.703 7.941 8.265 1.00 0.00 C ATOM 221 CG LYS A 16 3.514 8.974 9.053 1.00 0.00 C ATOM 222 CD LYS A 16 2.716 9.427 10.277 1.00 0.00 C ATOM 223 CE LYS A 16 2.030 10.762 9.975 1.00 0.00 C ATOM 224 NZ LYS A 16 1.352 11.144 11.245 1.00 0.00 N ATOM 0 H LYS A 16 4.504 5.981 7.550 1.00 0.00 H new ATOM 0 HA LYS A 16 2.728 6.538 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.005 7.949 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.644 8.197 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.465 8.543 9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.745 9.830 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.972 8.675 10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.378 9.532 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.754 11.518 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.313 10.662 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.859 12.051 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.663 10.409 11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.060 11.239 12.001 1.00 0.00 H new ATOM 238 N ARG A 17 0.929 5.154 8.888 1.00 0.00 N ATOM 239 CA ARG A 17 -0.011 4.155 8.299 1.00 0.00 C ATOM 240 C ARG A 17 -1.452 4.679 8.333 1.00 0.00 C ATOM 241 O ARG A 17 -1.866 5.337 9.267 1.00 0.00 O ATOM 242 CB ARG A 17 0.149 2.902 9.171 1.00 0.00 C ATOM 243 CG ARG A 17 -0.633 3.062 10.479 1.00 0.00 C ATOM 244 CD ARG A 17 -1.986 2.358 10.353 1.00 0.00 C ATOM 245 NE ARG A 17 -2.538 2.333 11.736 1.00 0.00 N ATOM 246 CZ ARG A 17 -3.527 1.536 12.031 1.00 0.00 C ATOM 247 NH1 ARG A 17 -4.599 1.522 11.285 1.00 0.00 N ATOM 248 NH2 ARG A 17 -3.446 0.752 13.070 1.00 0.00 N ATOM 0 H ARG A 17 0.679 5.493 9.817 1.00 0.00 H new ATOM 0 HA ARG A 17 0.208 3.948 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.209 2.026 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.204 2.734 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.066 2.638 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.780 4.119 10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.648 2.894 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.871 1.350 9.956 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.142 2.940 12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.662 2.134 10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.373 0.899 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.609 0.762 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.220 0.129 13.300 1.00 0.00 H new ATOM 262 N ARG A 18 -2.214 4.390 7.314 1.00 0.00 N ATOM 263 CA ARG A 18 -3.628 4.862 7.273 1.00 0.00 C ATOM 264 C ARG A 18 -4.527 3.775 6.675 1.00 0.00 C ATOM 265 O ARG A 18 -4.103 2.990 5.850 1.00 0.00 O ATOM 266 CB ARG A 18 -3.602 6.106 6.377 1.00 0.00 C ATOM 267 CG ARG A 18 -5.032 6.539 6.031 1.00 0.00 C ATOM 268 CD ARG A 18 -5.785 6.910 7.312 1.00 0.00 C ATOM 269 NE ARG A 18 -7.161 6.367 7.124 1.00 0.00 N ATOM 270 CZ ARG A 18 -8.025 6.410 8.104 1.00 0.00 C ATOM 271 NH1 ARG A 18 -7.626 6.254 9.338 1.00 0.00 N ATOM 272 NH2 ARG A 18 -9.289 6.602 7.849 1.00 0.00 N ATOM 0 H ARG A 18 -1.917 3.845 6.504 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.024 5.086 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.081 6.918 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.047 5.893 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.010 7.391 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.551 5.732 5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.307 6.477 8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.804 7.990 7.460 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.429 5.961 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.638 6.098 9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.302 6.288 10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.603 6.718 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.964 6.636 8.613 1.00 0.00 H new ATOM 286 N GLU A 19 -5.769 3.730 7.081 1.00 0.00 N ATOM 287 CA GLU A 19 -6.699 2.704 6.530 1.00 0.00 C ATOM 288 C GLU A 19 -7.584 3.332 5.450 1.00 0.00 C ATOM 289 O GLU A 19 -7.804 4.527 5.434 1.00 0.00 O ATOM 290 CB GLU A 19 -7.547 2.247 7.720 1.00 0.00 C ATOM 291 CG GLU A 19 -7.205 0.797 8.070 1.00 0.00 C ATOM 292 CD GLU A 19 -7.967 0.383 9.331 1.00 0.00 C ATOM 293 OE1 GLU A 19 -7.520 0.733 10.411 1.00 0.00 O ATOM 294 OE2 GLU A 19 -8.985 -0.275 9.195 1.00 0.00 O ATOM 0 H GLU A 19 -6.178 4.360 7.771 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.169 1.870 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.363 2.892 8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.606 2.333 7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.468 0.140 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.132 0.694 8.230 1.00 0.00 H new ATOM 301 N VAL A 20 -8.092 2.538 4.548 1.00 0.00 N ATOM 302 CA VAL A 20 -8.963 3.090 3.471 1.00 0.00 C ATOM 303 C VAL A 20 -10.141 2.148 3.222 1.00 0.00 C ATOM 304 O VAL A 20 -10.026 1.177 2.500 1.00 0.00 O ATOM 305 CB VAL A 20 -8.072 3.169 2.228 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.816 3.910 1.115 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.784 3.923 2.564 1.00 0.00 C ATOM 0 H VAL A 20 -7.942 1.530 4.510 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.375 4.064 3.734 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.826 2.160 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.183 3.967 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.733 3.374 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.062 4.917 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.152 3.977 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.029 4.931 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.252 3.398 3.357 1.00 0.00 H new ATOM 317 N PHE A 21 -11.272 2.419 3.815 1.00 0.00 N ATOM 318 CA PHE A 21 -12.456 1.535 3.618 1.00 0.00 C ATOM 319 C PHE A 21 -13.144 1.840 2.284 1.00 0.00 C ATOM 320 O PHE A 21 -14.347 1.994 2.224 1.00 0.00 O ATOM 321 CB PHE A 21 -13.384 1.869 4.785 1.00 0.00 C ATOM 322 CG PHE A 21 -14.535 0.898 4.802 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.285 -0.476 4.825 1.00 0.00 C ATOM 324 CD2 PHE A 21 -15.849 1.373 4.795 1.00 0.00 C ATOM 325 CE1 PHE A 21 -15.353 -1.382 4.841 1.00 0.00 C ATOM 326 CE2 PHE A 21 -16.919 0.470 4.812 1.00 0.00 C ATOM 327 CZ PHE A 21 -16.671 -0.908 4.834 1.00 0.00 C ATOM 0 H PHE A 21 -11.427 3.218 4.430 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.182 0.480 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.836 1.817 5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.756 2.889 4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.268 -0.840 4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -16.039 2.436 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.161 -2.445 4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -17.935 0.836 4.808 1.00 0.00 H new ATOM 0 HZ PHE A 21 -17.496 -1.605 4.846 1.00 0.00 H new ATOM 337 N ARG A 22 -12.393 1.915 1.211 1.00 0.00 N ATOM 338 CA ARG A 22 -12.999 2.201 -0.126 1.00 0.00 C ATOM 339 C ARG A 22 -13.928 3.419 -0.056 1.00 0.00 C ATOM 340 O ARG A 22 -14.149 3.988 0.995 1.00 0.00 O ATOM 341 CB ARG A 22 -13.798 0.947 -0.460 1.00 0.00 C ATOM 342 CG ARG A 22 -12.948 0.011 -1.319 1.00 0.00 C ATOM 343 CD ARG A 22 -12.861 0.559 -2.744 1.00 0.00 C ATOM 344 NE ARG A 22 -11.411 0.543 -3.071 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.798 -0.586 -3.304 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.247 -1.249 -2.324 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.732 -1.051 -4.521 1.00 0.00 N ATOM 0 H ARG A 22 -11.381 1.789 1.205 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.243 2.430 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.100 0.441 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.711 1.216 -0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.949 -0.083 -0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.385 -0.987 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.430 -0.057 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.269 1.568 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.892 1.420 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.294 -0.885 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.769 -2.131 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.159 -0.533 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.253 -1.933 -4.705 1.00 0.00 H new ATOM 361 N LYS A 23 -14.478 3.821 -1.170 1.00 0.00 N ATOM 362 CA LYS A 23 -15.397 4.994 -1.163 1.00 0.00 C ATOM 363 C LYS A 23 -16.536 4.796 -2.171 1.00 0.00 C ATOM 364 O LYS A 23 -17.638 5.262 -1.956 1.00 0.00 O ATOM 365 CB LYS A 23 -14.529 6.188 -1.557 1.00 0.00 C ATOM 366 CG LYS A 23 -14.893 7.397 -0.690 1.00 0.00 C ATOM 367 CD LYS A 23 -14.478 7.142 0.764 1.00 0.00 C ATOM 368 CE LYS A 23 -12.978 6.840 0.831 1.00 0.00 C ATOM 369 NZ LYS A 23 -12.620 6.987 2.270 1.00 0.00 N ATOM 0 H LYS A 23 -14.331 3.389 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.865 5.137 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.475 5.941 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.677 6.426 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.395 8.290 -1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.966 7.584 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.710 8.013 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.045 6.305 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.761 5.834 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.408 7.531 0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.606 6.795 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.831 7.956 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.173 6.312 2.836 1.00 0.00 H new ATOM 383 N SER A 24 -16.291 4.108 -3.266 1.00 0.00 N ATOM 384 CA SER A 24 -17.384 3.890 -4.276 1.00 0.00 C ATOM 385 C SER A 24 -16.836 3.262 -5.563 1.00 0.00 C ATOM 386 O SER A 24 -15.658 2.988 -5.687 1.00 0.00 O ATOM 387 CB SER A 24 -17.957 5.287 -4.565 1.00 0.00 C ATOM 388 OG SER A 24 -18.192 5.439 -5.959 1.00 0.00 O ATOM 0 H SER A 24 -15.391 3.691 -3.503 1.00 0.00 H new ATOM 0 HA SER A 24 -18.142 3.204 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.887 5.429 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.262 6.052 -4.220 1.00 0.00 H new ATOM 0 HG SER A 24 -18.558 6.331 -6.134 1.00 0.00 H new ATOM 394 N GLY A 25 -17.698 3.038 -6.524 1.00 0.00 N ATOM 395 CA GLY A 25 -17.259 2.433 -7.816 1.00 0.00 C ATOM 396 C GLY A 25 -17.765 0.993 -7.904 1.00 0.00 C ATOM 397 O GLY A 25 -18.885 0.736 -8.300 1.00 0.00 O ATOM 0 H GLY A 25 -18.694 3.251 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.644 3.017 -8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.172 2.452 -7.888 1.00 0.00 H new ATOM 401 N ALA A 26 -16.942 0.059 -7.529 1.00 0.00 N ATOM 402 CA ALA A 26 -17.341 -1.378 -7.572 1.00 0.00 C ATOM 403 C ALA A 26 -16.682 -2.103 -6.400 1.00 0.00 C ATOM 404 O ALA A 26 -17.293 -2.895 -5.709 1.00 0.00 O ATOM 405 CB ALA A 26 -16.799 -1.899 -8.903 1.00 0.00 C ATOM 0 H ALA A 26 -15.995 0.229 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.418 -1.529 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.052 -2.954 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.242 -1.334 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.716 -1.782 -8.926 1.00 0.00 H new ATOM 411 N THR A 27 -15.436 -1.806 -6.171 1.00 0.00 N ATOM 412 CA THR A 27 -14.689 -2.424 -5.042 1.00 0.00 C ATOM 413 C THR A 27 -15.144 -1.804 -3.714 1.00 0.00 C ATOM 414 O THR A 27 -14.687 -2.185 -2.654 1.00 0.00 O ATOM 415 CB THR A 27 -13.224 -2.070 -5.323 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.101 -0.660 -5.467 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.763 -2.757 -6.614 1.00 0.00 C ATOM 0 H THR A 27 -14.893 -1.148 -6.730 1.00 0.00 H new ATOM 0 HA THR A 27 -14.850 -3.499 -4.964 1.00 0.00 H new ATOM 0 HB THR A 27 -12.604 -2.411 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.752 -0.451 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.721 -2.502 -6.810 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.858 -3.837 -6.505 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.381 -2.420 -7.446 1.00 0.00 H new ATOM 425 N CYS A 28 -16.036 -0.841 -3.770 1.00 0.00 N ATOM 426 CA CYS A 28 -16.527 -0.170 -2.526 1.00 0.00 C ATOM 427 C CYS A 28 -16.821 -1.185 -1.416 1.00 0.00 C ATOM 428 O CYS A 28 -17.415 -2.220 -1.648 1.00 0.00 O ATOM 429 CB CYS A 28 -17.813 0.549 -2.947 1.00 0.00 C ATOM 430 SG CYS A 28 -19.007 -0.651 -3.593 1.00 0.00 S ATOM 0 H CYS A 28 -16.448 -0.489 -4.634 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.780 0.512 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.240 1.077 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.589 1.298 -3.707 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.811 -1.805 -3.028 1.00 0.00 H new ATOM 436 N GLY A 29 -16.419 -0.885 -0.209 1.00 0.00 N ATOM 437 CA GLY A 29 -16.685 -1.822 0.924 1.00 0.00 C ATOM 438 C GLY A 29 -15.384 -2.486 1.391 1.00 0.00 C ATOM 439 O GLY A 29 -15.320 -3.042 2.470 1.00 0.00 O ATOM 0 H GLY A 29 -15.918 -0.033 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.141 -1.280 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.398 -2.585 0.612 1.00 0.00 H new ATOM 443 N ARG A 30 -14.349 -2.437 0.594 1.00 0.00 N ATOM 444 CA ARG A 30 -13.061 -3.074 1.005 1.00 0.00 C ATOM 445 C ARG A 30 -12.251 -2.122 1.888 1.00 0.00 C ATOM 446 O ARG A 30 -12.512 -0.935 1.940 1.00 0.00 O ATOM 447 CB ARG A 30 -12.319 -3.356 -0.301 1.00 0.00 C ATOM 448 CG ARG A 30 -13.096 -4.390 -1.116 1.00 0.00 C ATOM 449 CD ARG A 30 -12.430 -4.566 -2.480 1.00 0.00 C ATOM 450 NE ARG A 30 -12.660 -5.992 -2.840 1.00 0.00 N ATOM 451 CZ ARG A 30 -12.936 -6.317 -4.074 1.00 0.00 C ATOM 452 NH1 ARG A 30 -12.032 -6.175 -5.005 1.00 0.00 N ATOM 453 NH2 ARG A 30 -14.116 -6.784 -4.377 1.00 0.00 N ATOM 0 H ARG A 30 -14.339 -1.985 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.222 -3.982 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.207 -2.436 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.315 -3.724 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.122 -5.342 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.129 -4.068 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.866 -3.897 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.365 -4.338 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.602 -6.715 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.109 -5.810 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.248 -6.429 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.823 -6.895 -3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.332 -7.038 -5.341 1.00 0.00 H new ATOM 467 N SER A 31 -11.268 -2.634 2.582 1.00 0.00 N ATOM 468 CA SER A 31 -10.436 -1.762 3.463 1.00 0.00 C ATOM 469 C SER A 31 -8.951 -1.936 3.128 1.00 0.00 C ATOM 470 O SER A 31 -8.352 -2.947 3.434 1.00 0.00 O ATOM 471 CB SER A 31 -10.732 -2.237 4.886 1.00 0.00 C ATOM 472 OG SER A 31 -9.589 -2.026 5.707 1.00 0.00 O ATOM 0 H SER A 31 -11.005 -3.620 2.577 1.00 0.00 H new ATOM 0 HA SER A 31 -10.665 -0.704 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.588 -1.696 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.998 -3.294 4.880 1.00 0.00 H new ATOM 0 HG SER A 31 -9.781 -2.329 6.619 1.00 0.00 H new ATOM 478 N ASP A 32 -8.358 -0.954 2.506 1.00 0.00 N ATOM 479 CA ASP A 32 -6.913 -1.055 2.153 1.00 0.00 C ATOM 480 C ASP A 32 -6.090 -0.111 3.032 1.00 0.00 C ATOM 481 O ASP A 32 -6.373 1.066 3.129 1.00 0.00 O ATOM 482 CB ASP A 32 -6.833 -0.641 0.684 1.00 0.00 C ATOM 483 CG ASP A 32 -7.342 -1.783 -0.196 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.393 -2.319 0.113 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.672 -2.102 -1.165 1.00 0.00 O ATOM 0 H ASP A 32 -8.812 -0.085 2.226 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.515 -2.058 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.429 0.256 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.805 -0.395 0.420 1.00 0.00 H new ATOM 490 N THR A 33 -5.074 -0.622 3.674 1.00 0.00 N ATOM 491 CA THR A 33 -4.237 0.245 4.551 1.00 0.00 C ATOM 492 C THR A 33 -2.971 0.672 3.807 1.00 0.00 C ATOM 493 O THR A 33 -2.205 -0.149 3.341 1.00 0.00 O ATOM 494 CB THR A 33 -3.887 -0.631 5.757 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.082 -1.134 6.336 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.127 0.201 6.792 1.00 0.00 C ATOM 0 H THR A 33 -4.788 -1.600 3.629 1.00 0.00 H new ATOM 0 HA THR A 33 -4.753 1.157 4.851 1.00 0.00 H new ATOM 0 HB THR A 33 -3.261 -1.462 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.860 -1.697 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.879 -0.424 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.210 0.587 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.750 1.034 7.118 1.00 0.00 H new ATOM 504 N TYR A 34 -2.750 1.952 3.691 1.00 0.00 N ATOM 505 CA TYR A 34 -1.540 2.443 2.976 1.00 0.00 C ATOM 506 C TYR A 34 -0.556 3.053 3.976 1.00 0.00 C ATOM 507 O TYR A 34 -0.943 3.508 5.036 1.00 0.00 O ATOM 508 CB TYR A 34 -2.058 3.511 2.015 1.00 0.00 C ATOM 509 CG TYR A 34 -2.921 2.864 0.962 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.250 2.524 1.249 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.390 2.604 -0.305 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.044 1.928 0.265 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.186 2.008 -1.289 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.514 1.670 -1.004 1.00 0.00 C ATOM 515 OH TYR A 34 -5.300 1.082 -1.975 1.00 0.00 O ATOM 0 H TYR A 34 -3.358 2.682 4.062 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.012 1.646 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.632 4.259 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.222 4.030 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.660 2.722 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.365 2.863 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.068 1.666 0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.776 1.809 -2.268 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.778 0.974 -2.797 1.00 0.00 H new ATOM 525 N TYR A 35 0.709 3.066 3.656 1.00 0.00 N ATOM 526 CA TYR A 35 1.708 3.650 4.601 1.00 0.00 C ATOM 527 C TYR A 35 2.765 4.446 3.833 1.00 0.00 C ATOM 528 O TYR A 35 3.072 4.151 2.695 1.00 0.00 O ATOM 529 CB TYR A 35 2.366 2.460 5.322 1.00 0.00 C ATOM 530 CG TYR A 35 1.567 1.194 5.104 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.746 0.447 3.935 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.650 0.771 6.073 1.00 0.00 C ATOM 533 CE1 TYR A 35 1.009 -0.726 3.734 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.088 -0.401 5.872 1.00 0.00 C ATOM 535 CZ TYR A 35 0.090 -1.149 4.703 1.00 0.00 C ATOM 536 OH TYR A 35 -0.638 -2.305 4.505 1.00 0.00 O ATOM 0 H TYR A 35 1.095 2.700 2.786 1.00 0.00 H new ATOM 0 HA TYR A 35 1.232 4.331 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.383 2.322 4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.439 2.670 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.453 0.775 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.512 1.349 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.149 -1.304 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.795 -0.728 6.620 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.501 -2.625 3.589 1.00 0.00 H new ATOM 546 N GLN A 36 3.333 5.444 4.453 1.00 0.00 N ATOM 547 CA GLN A 36 4.385 6.250 3.768 1.00 0.00 C ATOM 548 C GLN A 36 5.732 6.007 4.448 1.00 0.00 C ATOM 549 O GLN A 36 5.799 5.777 5.641 1.00 0.00 O ATOM 550 CB GLN A 36 3.954 7.709 3.935 1.00 0.00 C ATOM 551 CG GLN A 36 4.847 8.611 3.075 1.00 0.00 C ATOM 552 CD GLN A 36 4.052 9.841 2.627 1.00 0.00 C ATOM 553 OE1 GLN A 36 2.993 10.120 3.153 1.00 0.00 O ATOM 554 NE2 GLN A 36 4.523 10.594 1.671 1.00 0.00 N ATOM 0 H GLN A 36 3.114 5.737 5.405 1.00 0.00 H new ATOM 0 HA GLN A 36 4.494 5.986 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.911 7.826 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.025 8.002 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.725 8.919 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.207 8.061 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.412 10.360 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.002 11.416 1.366 1.00 0.00 H new ATOM 563 N SER A 37 6.805 6.054 3.704 1.00 0.00 N ATOM 564 CA SER A 37 8.149 5.823 4.314 1.00 0.00 C ATOM 565 C SER A 37 8.356 6.771 5.499 1.00 0.00 C ATOM 566 O SER A 37 7.482 7.554 5.819 1.00 0.00 O ATOM 567 CB SER A 37 9.144 6.117 3.199 1.00 0.00 C ATOM 568 OG SER A 37 9.276 7.523 3.039 1.00 0.00 O ATOM 0 H SER A 37 6.810 6.242 2.701 1.00 0.00 H new ATOM 0 HA SER A 37 8.266 4.810 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.112 5.675 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.806 5.665 2.267 1.00 0.00 H new ATOM 0 HG SER A 37 8.388 7.938 3.047 1.00 0.00 H new ATOM 574 N PRO A 38 9.495 6.666 6.131 1.00 0.00 N ATOM 575 CA PRO A 38 9.773 7.514 7.297 1.00 0.00 C ATOM 576 C PRO A 38 10.347 8.869 6.889 1.00 0.00 C ATOM 577 O PRO A 38 10.624 9.698 7.735 1.00 0.00 O ATOM 578 CB PRO A 38 10.798 6.710 8.082 1.00 0.00 C ATOM 579 CG PRO A 38 11.477 5.827 7.079 1.00 0.00 C ATOM 580 CD PRO A 38 10.613 5.767 5.838 1.00 0.00 C ATOM 0 HA PRO A 38 8.873 7.743 7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.515 7.366 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.318 6.119 8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.465 6.218 6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.622 4.828 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.163 6.091 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.267 4.752 5.643 1.00 0.00 H new ATOM 588 N THR A 39 10.544 9.118 5.620 1.00 0.00 N ATOM 589 CA THR A 39 11.115 10.442 5.240 1.00 0.00 C ATOM 590 C THR A 39 10.981 10.744 3.738 1.00 0.00 C ATOM 591 O THR A 39 11.617 11.651 3.237 1.00 0.00 O ATOM 592 CB THR A 39 12.582 10.347 5.656 1.00 0.00 C ATOM 593 OG1 THR A 39 13.224 11.592 5.420 1.00 0.00 O ATOM 594 CG2 THR A 39 13.278 9.247 4.852 1.00 0.00 C ATOM 0 H THR A 39 10.341 8.481 4.850 1.00 0.00 H new ATOM 0 HA THR A 39 10.584 11.259 5.727 1.00 0.00 H new ATOM 0 HB THR A 39 12.641 10.105 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.848 12.007 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.324 9.183 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.787 8.292 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.219 9.481 3.789 1.00 0.00 H new ATOM 602 N GLY A 40 10.148 10.035 3.013 1.00 0.00 N ATOM 603 CA GLY A 40 9.997 10.362 1.561 1.00 0.00 C ATOM 604 C GLY A 40 9.870 9.102 0.697 1.00 0.00 C ATOM 605 O GLY A 40 10.824 8.659 0.089 1.00 0.00 O ATOM 0 H GLY A 40 9.578 9.261 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.116 10.988 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.857 10.943 1.229 1.00 0.00 H new ATOM 609 N ASP A 41 8.686 8.554 0.610 1.00 0.00 N ATOM 610 CA ASP A 41 8.440 7.343 -0.244 1.00 0.00 C ATOM 611 C ASP A 41 7.047 6.786 0.066 1.00 0.00 C ATOM 612 O ASP A 41 6.785 6.321 1.157 1.00 0.00 O ATOM 613 CB ASP A 41 9.523 6.315 0.109 1.00 0.00 C ATOM 614 CG ASP A 41 10.372 6.025 -1.131 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.954 6.957 -1.661 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.424 4.874 -1.533 1.00 0.00 O ATOM 0 H ASP A 41 7.861 8.898 1.102 1.00 0.00 H new ATOM 0 HA ASP A 41 8.482 7.584 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.153 6.695 0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.063 5.396 0.472 1.00 0.00 H new ATOM 621 N ARG A 42 6.147 6.846 -0.880 1.00 0.00 N ATOM 622 CA ARG A 42 4.764 6.338 -0.630 1.00 0.00 C ATOM 623 C ARG A 42 4.709 4.812 -0.749 1.00 0.00 C ATOM 624 O ARG A 42 4.931 4.252 -1.805 1.00 0.00 O ATOM 625 CB ARG A 42 3.899 6.989 -1.711 1.00 0.00 C ATOM 626 CG ARG A 42 3.788 8.494 -1.450 1.00 0.00 C ATOM 627 CD ARG A 42 2.987 8.743 -0.168 1.00 0.00 C ATOM 628 NE ARG A 42 1.663 8.102 -0.405 1.00 0.00 N ATOM 629 CZ ARG A 42 0.621 8.838 -0.680 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.480 9.351 -1.872 1.00 0.00 N ATOM 631 NH2 ARG A 42 -0.280 9.063 0.238 1.00 0.00 N ATOM 0 H ARG A 42 6.308 7.224 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 42 4.421 6.582 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.335 6.812 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.907 6.537 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.783 8.930 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.302 8.983 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.485 8.309 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.879 9.810 0.028 1.00 0.00 H new ATOM 0 HE ARG A 42 1.571 7.088 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.184 9.177 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.335 9.926 -2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.169 8.664 1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.094 9.638 0.023 1.00 0.00 H new ATOM 645 N ILE A 43 4.397 4.143 0.329 1.00 0.00 N ATOM 646 CA ILE A 43 4.304 2.653 0.292 1.00 0.00 C ATOM 647 C ILE A 43 2.831 2.238 0.322 1.00 0.00 C ATOM 648 O ILE A 43 1.994 2.944 0.849 1.00 0.00 O ATOM 649 CB ILE A 43 5.028 2.172 1.554 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.459 2.727 1.573 1.00 0.00 C ATOM 651 CG2 ILE A 43 5.070 0.643 1.576 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.207 2.306 0.305 1.00 0.00 C ATOM 0 H ILE A 43 4.202 4.565 1.237 1.00 0.00 H new ATOM 0 HA ILE A 43 4.747 2.225 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 43 4.491 2.529 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.434 3.814 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.987 2.361 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.586 0.306 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.053 0.251 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.601 0.281 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.221 2.706 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.247 1.218 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.686 2.694 -0.570 1.00 0.00 H new ATOM 664 N ARG A 44 2.502 1.112 -0.249 1.00 0.00 N ATOM 665 CA ARG A 44 1.074 0.680 -0.259 1.00 0.00 C ATOM 666 C ARG A 44 0.923 -0.740 0.297 1.00 0.00 C ATOM 667 O ARG A 44 -0.132 -1.115 0.768 1.00 0.00 O ATOM 668 CB ARG A 44 0.654 0.722 -1.729 1.00 0.00 C ATOM 669 CG ARG A 44 1.008 2.082 -2.334 1.00 0.00 C ATOM 670 CD ARG A 44 -0.060 2.480 -3.356 1.00 0.00 C ATOM 671 NE ARG A 44 -0.447 3.868 -2.984 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.489 4.803 -3.894 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.252 4.658 -4.943 1.00 0.00 N ATOM 674 NH2 ARG A 44 0.230 5.883 -3.754 1.00 0.00 N ATOM 0 H ARG A 44 3.155 0.475 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 44 0.457 1.325 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.154 -0.073 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.418 0.544 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.074 2.835 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.986 2.035 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.331 2.438 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.916 1.807 -3.315 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.680 4.089 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.815 3.814 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.285 5.388 -5.654 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.825 5.997 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.197 6.613 -4.465 1.00 0.00 H new ATOM 688 N SER A 45 1.958 -1.536 0.239 1.00 0.00 N ATOM 689 CA SER A 45 1.845 -2.932 0.760 1.00 0.00 C ATOM 690 C SER A 45 3.141 -3.352 1.463 1.00 0.00 C ATOM 691 O SER A 45 3.935 -2.524 1.864 1.00 0.00 O ATOM 692 CB SER A 45 1.589 -3.784 -0.482 1.00 0.00 C ATOM 693 OG SER A 45 0.188 -3.911 -0.684 1.00 0.00 O ATOM 0 H SER A 45 2.870 -1.284 -0.143 1.00 0.00 H new ATOM 0 HA SER A 45 1.052 -3.040 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.054 -3.324 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.041 -4.768 -0.361 1.00 0.00 H new ATOM 0 HG SER A 45 -0.236 -4.213 0.146 1.00 0.00 H new ATOM 699 N LYS A 46 3.359 -4.634 1.621 1.00 0.00 N ATOM 700 CA LYS A 46 4.601 -5.101 2.305 1.00 0.00 C ATOM 701 C LYS A 46 5.777 -5.071 1.332 1.00 0.00 C ATOM 702 O LYS A 46 6.843 -4.582 1.652 1.00 0.00 O ATOM 703 CB LYS A 46 4.303 -6.533 2.747 1.00 0.00 C ATOM 704 CG LYS A 46 5.024 -6.819 4.065 1.00 0.00 C ATOM 705 CD LYS A 46 4.723 -8.251 4.512 1.00 0.00 C ATOM 706 CE LYS A 46 5.827 -9.182 4.006 1.00 0.00 C ATOM 707 NZ LYS A 46 5.660 -10.439 4.789 1.00 0.00 N ATOM 0 H LYS A 46 2.732 -5.374 1.306 1.00 0.00 H new ATOM 0 HA LYS A 46 4.870 -4.467 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.229 -6.671 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.629 -7.237 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.098 -6.684 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.700 -6.113 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.661 -8.299 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.756 -8.570 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.728 -9.367 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.814 -8.747 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.227 -11.196 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.979 -10.284 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.657 -10.716 4.792 1.00 0.00 H new ATOM 721 N VAL A 47 5.595 -5.578 0.140 1.00 0.00 N ATOM 722 CA VAL A 47 6.708 -5.560 -0.850 1.00 0.00 C ATOM 723 C VAL A 47 7.204 -4.121 -1.027 1.00 0.00 C ATOM 724 O VAL A 47 8.374 -3.839 -0.868 1.00 0.00 O ATOM 725 CB VAL A 47 6.090 -6.098 -2.137 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.998 -5.789 -3.327 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.904 -7.612 -2.020 1.00 0.00 C ATOM 0 H VAL A 47 4.727 -6.002 -0.188 1.00 0.00 H new ATOM 0 HA VAL A 47 7.568 -6.156 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 47 5.123 -5.619 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.547 -6.178 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.126 -4.710 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.970 -6.258 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.462 -7.996 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.872 -8.086 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.245 -7.834 -1.181 1.00 0.00 H new ATOM 737 N GLU A 48 6.313 -3.204 -1.327 1.00 0.00 N ATOM 738 CA GLU A 48 6.729 -1.774 -1.486 1.00 0.00 C ATOM 739 C GLU A 48 7.556 -1.361 -0.268 1.00 0.00 C ATOM 740 O GLU A 48 8.535 -0.647 -0.371 1.00 0.00 O ATOM 741 CB GLU A 48 5.423 -0.976 -1.539 1.00 0.00 C ATOM 742 CG GLU A 48 5.431 -0.050 -2.758 1.00 0.00 C ATOM 743 CD GLU A 48 6.566 0.967 -2.624 1.00 0.00 C ATOM 744 OE1 GLU A 48 7.712 0.566 -2.752 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.271 2.128 -2.398 1.00 0.00 O ATOM 0 H GLU A 48 5.319 -3.384 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 48 7.334 -1.606 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.573 -1.656 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.306 -0.391 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.558 -0.634 -3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.475 0.466 -2.841 1.00 0.00 H new ATOM 752 N LEU A 49 7.167 -1.839 0.882 1.00 0.00 N ATOM 753 CA LEU A 49 7.917 -1.522 2.126 1.00 0.00 C ATOM 754 C LEU A 49 9.272 -2.225 2.074 1.00 0.00 C ATOM 755 O LEU A 49 10.308 -1.639 2.325 1.00 0.00 O ATOM 756 CB LEU A 49 7.050 -2.100 3.249 1.00 0.00 C ATOM 757 CG LEU A 49 7.253 -1.305 4.538 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.229 -0.173 4.607 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.064 -2.237 5.739 1.00 0.00 C ATOM 0 H LEU A 49 6.354 -2.441 1.012 1.00 0.00 H new ATOM 0 HA LEU A 49 8.103 -0.457 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.000 -2.072 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.307 -3.146 3.415 1.00 0.00 H new ATOM 0 HG LEU A 49 8.258 -0.884 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.374 0.394 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.358 0.487 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.223 -0.591 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.208 -1.675 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.057 -2.654 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.793 -3.046 5.690 1.00 0.00 H new ATOM 771 N THR A 50 9.261 -3.485 1.732 1.00 0.00 N ATOM 772 CA THR A 50 10.530 -4.257 1.637 1.00 0.00 C ATOM 773 C THR A 50 11.451 -3.639 0.574 1.00 0.00 C ATOM 774 O THR A 50 12.635 -3.908 0.538 1.00 0.00 O ATOM 775 CB THR A 50 10.090 -5.666 1.223 1.00 0.00 C ATOM 776 OG1 THR A 50 9.293 -6.230 2.256 1.00 0.00 O ATOM 777 CG2 THR A 50 11.319 -6.547 0.990 1.00 0.00 C ATOM 0 H THR A 50 8.418 -4.016 1.513 1.00 0.00 H new ATOM 0 HA THR A 50 11.092 -4.259 2.571 1.00 0.00 H new ATOM 0 HB THR A 50 9.512 -5.608 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.381 -5.876 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.000 -7.547 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.932 -6.115 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.902 -6.608 1.909 1.00 0.00 H new ATOM 785 N ARG A 51 10.914 -2.821 -0.294 1.00 0.00 N ATOM 786 CA ARG A 51 11.759 -2.195 -1.356 1.00 0.00 C ATOM 787 C ARG A 51 12.551 -1.016 -0.785 1.00 0.00 C ATOM 788 O ARG A 51 13.767 -1.012 -0.791 1.00 0.00 O ATOM 789 CB ARG A 51 10.774 -1.702 -2.419 1.00 0.00 C ATOM 790 CG ARG A 51 9.889 -2.861 -2.887 1.00 0.00 C ATOM 791 CD ARG A 51 10.039 -3.048 -4.399 1.00 0.00 C ATOM 792 NE ARG A 51 8.933 -2.250 -5.001 1.00 0.00 N ATOM 793 CZ ARG A 51 8.723 -2.293 -6.288 1.00 0.00 C ATOM 794 NH1 ARG A 51 8.168 -3.345 -6.823 1.00 0.00 N ATOM 795 NH2 ARG A 51 9.067 -1.284 -7.040 1.00 0.00 N ATOM 0 H ARG A 51 9.928 -2.559 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 51 12.483 -2.900 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.156 -0.902 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.318 -1.284 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.169 -3.778 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.847 -2.659 -2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.011 -2.698 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.962 -4.100 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 51 8.340 -1.670 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.898 -4.134 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.004 -3.379 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.500 -0.461 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.903 -1.318 -8.046 1.00 0.00 H new ATOM 809 N TYR A 52 11.870 -0.013 -0.298 1.00 0.00 N ATOM 810 CA TYR A 52 12.579 1.174 0.268 1.00 0.00 C ATOM 811 C TYR A 52 13.520 0.753 1.401 1.00 0.00 C ATOM 812 O TYR A 52 14.443 1.463 1.747 1.00 0.00 O ATOM 813 CB TYR A 52 11.467 2.084 0.801 1.00 0.00 C ATOM 814 CG TYR A 52 11.953 3.517 0.867 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.661 4.073 -0.208 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.690 4.294 2.005 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.104 5.399 -0.145 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.135 5.619 2.065 1.00 0.00 C ATOM 819 CZ TYR A 52 12.841 6.172 0.991 1.00 0.00 C ATOM 820 OH TYR A 52 13.278 7.479 1.052 1.00 0.00 O ATOM 0 H TYR A 52 10.852 0.036 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 52 13.196 1.675 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.592 2.018 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.158 1.751 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.865 3.477 -1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.144 3.869 2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.649 5.826 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.933 6.216 2.942 1.00 0.00 H new ATOM 0 HH TYR A 52 12.563 8.078 0.752 1.00 0.00 H new ATOM 830 N LEU A 53 13.293 -0.394 1.983 1.00 0.00 N ATOM 831 CA LEU A 53 14.175 -0.855 3.096 1.00 0.00 C ATOM 832 C LEU A 53 15.310 -1.737 2.562 1.00 0.00 C ATOM 833 O LEU A 53 16.173 -2.161 3.305 1.00 0.00 O ATOM 834 CB LEU A 53 13.259 -1.664 4.015 1.00 0.00 C ATOM 835 CG LEU A 53 12.096 -0.786 4.479 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.025 -1.662 5.130 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.604 0.240 5.495 1.00 0.00 C ATOM 0 H LEU A 53 12.536 -1.032 1.737 1.00 0.00 H new ATOM 0 HA LEU A 53 14.647 -0.020 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.880 -2.540 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.820 -2.028 4.876 1.00 0.00 H new ATOM 0 HG LEU A 53 11.669 -0.266 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.196 -1.037 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.663 -2.392 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.452 -2.182 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.775 0.866 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.032 -0.279 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.367 0.864 5.031 1.00 0.00 H new ATOM 849 N GLY A 54 15.320 -2.018 1.284 1.00 0.00 N ATOM 850 CA GLY A 54 16.402 -2.870 0.718 1.00 0.00 C ATOM 851 C GLY A 54 15.983 -4.341 0.785 1.00 0.00 C ATOM 852 O GLY A 54 15.136 -4.708 1.575 1.00 0.00 O ATOM 0 H GLY A 54 14.626 -1.694 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.601 -2.585 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.327 -2.719 1.275 1.00 0.00 H new ATOM 856 N PRO A 55 16.594 -5.140 -0.051 1.00 0.00 N ATOM 857 CA PRO A 55 16.279 -6.590 -0.089 1.00 0.00 C ATOM 858 C PRO A 55 16.825 -7.291 1.160 1.00 0.00 C ATOM 859 O PRO A 55 16.355 -8.343 1.546 1.00 0.00 O ATOM 860 CB PRO A 55 16.994 -7.079 -1.345 1.00 0.00 C ATOM 861 CG PRO A 55 18.100 -6.097 -1.568 1.00 0.00 C ATOM 862 CD PRO A 55 17.624 -4.773 -1.031 1.00 0.00 C ATOM 0 HA PRO A 55 15.209 -6.795 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 55 17.383 -8.088 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 55 16.316 -7.110 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.009 -6.416 -1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.340 -6.020 -2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.437 -4.215 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.217 -4.144 -1.822 1.00 0.00 H new ATOM 870 N ALA A 56 17.812 -6.715 1.794 1.00 0.00 N ATOM 871 CA ALA A 56 18.387 -7.348 3.018 1.00 0.00 C ATOM 872 C ALA A 56 17.446 -7.156 4.214 1.00 0.00 C ATOM 873 O ALA A 56 17.632 -7.750 5.258 1.00 0.00 O ATOM 874 CB ALA A 56 19.711 -6.621 3.257 1.00 0.00 C ATOM 0 H ALA A 56 18.245 -5.834 1.518 1.00 0.00 H new ATOM 0 HA ALA A 56 18.526 -8.422 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 56 20.196 -7.031 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.361 -6.755 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.521 -5.558 3.406 1.00 0.00 H new ATOM 880 N CYS A 57 16.441 -6.331 4.074 1.00 0.00 N ATOM 881 CA CYS A 57 15.497 -6.105 5.206 1.00 0.00 C ATOM 882 C CYS A 57 14.161 -6.801 4.935 1.00 0.00 C ATOM 883 O CYS A 57 13.214 -6.190 4.480 1.00 0.00 O ATOM 884 CB CYS A 57 15.306 -4.589 5.266 1.00 0.00 C ATOM 885 SG CYS A 57 14.987 -4.088 6.976 1.00 0.00 S ATOM 0 H CYS A 57 16.234 -5.805 3.225 1.00 0.00 H new ATOM 0 HA CYS A 57 15.878 -6.508 6.144 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.195 -4.084 4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.475 -4.291 4.627 1.00 0.00 H new ATOM 0 HG CYS A 57 14.827 -2.799 7.028 1.00 0.00 H new ATOM 891 N ASP A 58 14.076 -8.074 5.217 1.00 0.00 N ATOM 892 CA ASP A 58 12.798 -8.807 4.981 1.00 0.00 C ATOM 893 C ASP A 58 11.752 -8.380 6.011 1.00 0.00 C ATOM 894 O ASP A 58 12.078 -7.860 7.060 1.00 0.00 O ATOM 895 CB ASP A 58 13.145 -10.287 5.157 1.00 0.00 C ATOM 896 CG ASP A 58 13.333 -10.937 3.785 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.530 -10.666 2.907 1.00 0.00 O ATOM 898 OD2 ASP A 58 14.278 -11.695 3.635 1.00 0.00 O ATOM 0 H ASP A 58 14.835 -8.637 5.600 1.00 0.00 H new ATOM 0 HA ASP A 58 12.382 -8.602 3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.056 -10.390 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.351 -10.794 5.705 1.00 0.00 H new ATOM 903 N LEU A 59 10.496 -8.599 5.724 1.00 0.00 N ATOM 904 CA LEU A 59 9.432 -8.208 6.692 1.00 0.00 C ATOM 905 C LEU A 59 8.365 -9.301 6.768 1.00 0.00 C ATOM 906 O LEU A 59 7.234 -9.109 6.365 1.00 0.00 O ATOM 907 CB LEU A 59 8.836 -6.911 6.137 1.00 0.00 C ATOM 908 CG LEU A 59 9.929 -5.844 6.015 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.335 -4.573 5.403 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.498 -5.526 7.404 1.00 0.00 C ATOM 0 H LEU A 59 10.162 -9.031 4.862 1.00 0.00 H new ATOM 0 HA LEU A 59 9.823 -8.072 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.386 -7.096 5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.041 -6.556 6.793 1.00 0.00 H new ATOM 0 HG LEU A 59 10.728 -6.217 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.112 -3.814 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.935 -4.798 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.534 -4.201 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.275 -4.767 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.701 -5.154 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.923 -6.431 7.839 1.00 0.00 H new ATOM 922 N THR A 60 8.718 -10.448 7.281 1.00 0.00 N ATOM 923 CA THR A 60 7.729 -11.560 7.382 1.00 0.00 C ATOM 924 C THR A 60 6.862 -11.398 8.637 1.00 0.00 C ATOM 925 O THR A 60 6.011 -12.218 8.920 1.00 0.00 O ATOM 926 CB THR A 60 8.569 -12.837 7.475 1.00 0.00 C ATOM 927 OG1 THR A 60 9.807 -12.644 6.804 1.00 0.00 O ATOM 928 CG2 THR A 60 7.810 -13.991 6.822 1.00 0.00 C ATOM 0 H THR A 60 9.650 -10.664 7.635 1.00 0.00 H new ATOM 0 HA THR A 60 7.050 -11.578 6.530 1.00 0.00 H new ATOM 0 HB THR A 60 8.759 -13.071 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.344 -13.462 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.406 -14.901 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.861 -14.141 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.620 -13.755 5.775 1.00 0.00 H new ATOM 936 N LEU A 61 7.068 -10.348 9.391 1.00 0.00 N ATOM 937 CA LEU A 61 6.253 -10.142 10.623 1.00 0.00 C ATOM 938 C LEU A 61 5.339 -8.923 10.461 1.00 0.00 C ATOM 939 O LEU A 61 4.315 -8.816 11.106 1.00 0.00 O ATOM 940 CB LEU A 61 7.274 -9.902 11.735 1.00 0.00 C ATOM 941 CG LEU A 61 7.780 -11.245 12.261 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.192 -11.074 12.823 1.00 0.00 C ATOM 943 CD2 LEU A 61 6.847 -11.740 13.368 1.00 0.00 C ATOM 0 H LEU A 61 7.765 -9.626 9.206 1.00 0.00 H new ATOM 0 HA LEU A 61 5.607 -10.994 10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.107 -9.310 11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.819 -9.331 12.544 1.00 0.00 H new ATOM 0 HG LEU A 61 7.799 -11.971 11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.553 -12.032 13.198 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.857 -10.719 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.174 -10.349 13.637 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.206 -12.698 13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.829 -11.014 14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.840 -11.861 12.968 1.00 0.00 H new ATOM 955 N PHE A 62 5.704 -8.003 9.605 1.00 0.00 N ATOM 956 CA PHE A 62 4.857 -6.789 9.403 1.00 0.00 C ATOM 957 C PHE A 62 3.427 -7.193 9.029 1.00 0.00 C ATOM 958 O PHE A 62 3.207 -8.164 8.333 1.00 0.00 O ATOM 959 CB PHE A 62 5.523 -6.026 8.254 1.00 0.00 C ATOM 960 CG PHE A 62 4.654 -4.858 7.842 1.00 0.00 C ATOM 961 CD1 PHE A 62 3.670 -5.030 6.862 1.00 0.00 C ATOM 962 CD2 PHE A 62 4.835 -3.603 8.437 1.00 0.00 C ATOM 963 CE1 PHE A 62 2.866 -3.950 6.478 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.032 -2.523 8.052 1.00 0.00 C ATOM 965 CZ PHE A 62 3.048 -2.696 7.072 1.00 0.00 C ATOM 0 H PHE A 62 6.551 -8.040 9.038 1.00 0.00 H new ATOM 0 HA PHE A 62 4.785 -6.182 10.305 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.505 -5.669 8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.679 -6.692 7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.531 -5.997 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.594 -3.469 9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.105 -4.085 5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.172 -1.556 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.429 -1.862 6.774 1.00 0.00 H new ATOM 975 N ASP A 63 2.458 -6.447 9.485 1.00 0.00 N ATOM 976 CA ASP A 63 1.041 -6.777 9.161 1.00 0.00 C ATOM 977 C ASP A 63 0.466 -5.726 8.205 1.00 0.00 C ATOM 978 O ASP A 63 0.410 -4.553 8.516 1.00 0.00 O ATOM 979 CB ASP A 63 0.314 -6.744 10.505 1.00 0.00 C ATOM 980 CG ASP A 63 -1.158 -7.108 10.301 1.00 0.00 C ATOM 981 OD1 ASP A 63 -1.838 -6.374 9.604 1.00 0.00 O ATOM 982 OD2 ASP A 63 -1.579 -8.114 10.845 1.00 0.00 O ATOM 0 H ASP A 63 2.587 -5.621 10.069 1.00 0.00 H new ATOM 0 HA ASP A 63 0.937 -7.744 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.779 -7.444 11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.396 -5.752 10.950 1.00 0.00 H new ATOM 987 N PHE A 64 0.045 -6.142 7.042 1.00 0.00 N ATOM 988 CA PHE A 64 -0.519 -5.175 6.055 1.00 0.00 C ATOM 989 C PHE A 64 -1.849 -4.602 6.560 1.00 0.00 C ATOM 990 O PHE A 64 -2.189 -3.468 6.281 1.00 0.00 O ATOM 991 CB PHE A 64 -0.731 -5.998 4.779 1.00 0.00 C ATOM 992 CG PHE A 64 -1.483 -5.177 3.755 1.00 0.00 C ATOM 993 CD1 PHE A 64 -2.881 -5.130 3.789 1.00 0.00 C ATOM 994 CD2 PHE A 64 -0.782 -4.466 2.774 1.00 0.00 C ATOM 995 CE1 PHE A 64 -3.579 -4.371 2.842 1.00 0.00 C ATOM 996 CE2 PHE A 64 -1.480 -3.708 1.827 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.878 -3.660 1.861 1.00 0.00 C ATOM 0 H PHE A 64 0.067 -7.113 6.731 1.00 0.00 H new ATOM 0 HA PHE A 64 0.140 -4.323 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.231 -6.309 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.288 -6.906 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.422 -5.679 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.297 -4.502 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.658 -4.334 2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.939 -3.160 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.416 -3.074 1.130 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.610 -5.376 7.289 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.921 -4.868 7.794 1.00 0.00 C ATOM 1009 C LYS A 65 -3.768 -4.212 9.171 1.00 0.00 C ATOM 1010 O LYS A 65 -4.722 -4.094 9.915 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.819 -6.102 7.884 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.183 -5.778 7.271 1.00 0.00 C ATOM 1013 CD LYS A 65 -6.049 -5.689 5.751 1.00 0.00 C ATOM 1014 CE LYS A 65 -7.349 -5.146 5.154 1.00 0.00 C ATOM 1015 NZ LYS A 65 -8.236 -6.335 5.020 1.00 0.00 N ATOM 0 H LYS A 65 -2.382 -6.334 7.556 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.335 -4.104 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.360 -6.939 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.937 -6.405 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.906 -6.548 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.558 -4.836 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.215 -5.038 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.829 -6.673 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.796 -4.391 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.173 -4.674 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.149 -6.043 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.788 -7.034 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.391 -6.760 5.957 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.585 -3.780 9.517 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.394 -3.130 10.845 1.00 0.00 C ATOM 1031 C GLN A 66 -1.250 -2.113 10.782 1.00 0.00 C ATOM 1032 O GLN A 66 -1.335 -1.037 11.342 1.00 0.00 O ATOM 1033 CB GLN A 66 -2.047 -4.269 11.803 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.281 -5.146 12.024 1.00 0.00 C ATOM 1035 CD GLN A 66 -3.064 -6.032 13.251 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -2.953 -5.541 14.357 1.00 0.00 O ATOM 1037 NE2 GLN A 66 -3.001 -7.327 13.103 1.00 0.00 N ATOM 0 H GLN A 66 -1.746 -3.849 8.940 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.283 -2.586 11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.232 -4.866 11.394 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.700 -3.865 12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.163 -4.522 12.165 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.464 -5.763 11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.094 -7.739 12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.859 -7.927 13.916 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.179 -2.445 10.108 1.00 0.00 N ATOM 1047 CA GLY A 67 0.966 -1.497 10.017 1.00 0.00 C ATOM 1048 C GLY A 67 1.832 -1.635 11.270 1.00 0.00 C ATOM 1049 O GLY A 67 2.115 -0.669 11.951 1.00 0.00 O ATOM 0 H GLY A 67 -0.050 -3.330 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.558 -1.707 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.601 -0.474 9.923 1.00 0.00 H new ATOM 1053 N ILE A 68 2.251 -2.833 11.577 1.00 0.00 N ATOM 1054 CA ILE A 68 3.098 -3.046 12.789 1.00 0.00 C ATOM 1055 C ILE A 68 3.932 -4.319 12.638 1.00 0.00 C ATOM 1056 O ILE A 68 3.615 -5.190 11.852 1.00 0.00 O ATOM 1057 CB ILE A 68 2.123 -3.183 13.969 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.891 -4.010 13.569 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.672 -1.792 14.417 1.00 0.00 C ATOM 1060 CD1 ILE A 68 1.169 -5.495 13.810 1.00 0.00 C ATOM 0 H ILE A 68 2.044 -3.676 11.041 1.00 0.00 H new ATOM 0 HA ILE A 68 3.793 -2.220 12.940 1.00 0.00 H new ATOM 0 HB ILE A 68 2.635 -3.694 14.784 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.024 -3.693 14.149 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.652 -3.840 12.519 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.980 -1.886 15.254 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.540 -1.210 14.727 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.174 -1.287 13.589 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.294 -6.080 13.526 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.024 -5.807 13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.387 -5.658 14.866 1.00 0.00 H new ATOM 1072 N LEU A 69 4.996 -4.431 13.387 1.00 0.00 N ATOM 1073 CA LEU A 69 5.852 -5.647 13.294 1.00 0.00 C ATOM 1074 C LEU A 69 5.504 -6.620 14.423 1.00 0.00 C ATOM 1075 O LEU A 69 6.191 -6.689 15.421 1.00 0.00 O ATOM 1076 CB LEU A 69 7.289 -5.139 13.447 1.00 0.00 C ATOM 1077 CG LEU A 69 7.978 -5.106 12.080 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.398 -4.560 12.241 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.043 -6.522 11.496 1.00 0.00 C ATOM 0 H LEU A 69 5.309 -3.731 14.060 1.00 0.00 H new ATOM 0 HA LEU A 69 5.710 -6.181 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.287 -4.142 13.887 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.842 -5.786 14.127 1.00 0.00 H new ATOM 0 HG LEU A 69 7.410 -4.464 11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.891 -4.536 11.269 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.356 -3.551 12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.961 -5.204 12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.534 -6.492 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.608 -7.167 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.033 -6.915 11.380 1.00 0.00 H new