USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=19 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 27:sc= 1.15 USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= -0.127 (180deg=-0.69) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -0.0867 (180deg=-0.864) USER MOD Single : A 24 SER OG : rot 93:sc= -2.44! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.67 USER MOD Single : A 28 CYS SG : rot 25:sc= 0.321 USER MOD Single : A 31 SER OG : rot 133:sc= 0.038 USER MOD Single : A 33 THR OG1 : rot -140:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -47:sc= -0.503! USER MOD Single : A 36 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 37 SER OG : rot 141:sc= 0.892 USER MOD Single : A 39 THR OG1 : rot -39:sc= 0.841 USER MOD Single : A 45 SER OG : rot 180:sc= -0.77! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.494 USER MOD Single : A 52 TYR OH : rot 91:sc= 0.00176 USER MOD Single : A 57 CYS SG : rot 140:sc= 0.162 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 0.351 (180deg=-0.0218) USER MOD Single : A 66 GLN :FLIP amide:sc= 0.632 F(o=-0.011,f=0.63) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -4.282 9.192 9.739 1.00 0.00 N ATOM 56 CA TRP A 5 -2.841 8.817 9.672 1.00 0.00 C ATOM 57 C TRP A 5 -2.318 8.489 11.069 1.00 0.00 C ATOM 58 O TRP A 5 -2.129 9.362 11.894 1.00 0.00 O ATOM 59 CB TRP A 5 -2.135 10.050 9.108 1.00 0.00 C ATOM 60 CG TRP A 5 -2.200 10.013 7.615 1.00 0.00 C ATOM 61 CD1 TRP A 5 -3.097 10.686 6.858 1.00 0.00 C ATOM 62 CD2 TRP A 5 -1.354 9.273 6.689 1.00 0.00 C ATOM 63 NE1 TRP A 5 -2.852 10.410 5.525 1.00 0.00 N ATOM 64 CE2 TRP A 5 -1.788 9.543 5.370 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.261 8.405 6.864 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -1.161 8.970 4.262 1.00 0.00 C ATOM 67 CZ3 TRP A 5 0.371 7.826 5.752 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.077 8.108 4.455 1.00 0.00 C ATOM 0 HA TRP A 5 -2.671 7.935 9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.608 10.958 9.482 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.097 10.072 9.438 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.876 11.333 7.233 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.391 10.799 4.751 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.094 8.183 7.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.510 9.191 3.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.208 7.159 5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.415 7.660 3.604 1.00 0.00 H new ATOM 79 N LEU A 6 -2.086 7.233 11.343 1.00 0.00 N ATOM 80 CA LEU A 6 -1.580 6.847 12.690 1.00 0.00 C ATOM 81 C LEU A 6 -0.117 6.415 12.592 1.00 0.00 C ATOM 82 O LEU A 6 0.374 6.078 11.533 1.00 0.00 O ATOM 83 CB LEU A 6 -2.457 5.673 13.144 1.00 0.00 C ATOM 84 CG LEU A 6 -3.926 5.948 12.804 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.792 4.783 13.288 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.385 7.243 13.487 1.00 0.00 C ATOM 0 H LEU A 6 -2.225 6.460 10.693 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.628 7.676 13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.129 4.755 12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.347 5.521 14.218 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.029 6.054 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.836 4.980 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.473 3.864 12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.685 4.674 14.367 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.430 7.433 13.242 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.278 7.142 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.773 8.075 13.138 1.00 0.00 H new ATOM 98 N ASP A 7 0.580 6.428 13.692 1.00 0.00 N ATOM 99 CA ASP A 7 2.017 6.024 13.678 1.00 0.00 C ATOM 100 C ASP A 7 2.159 4.573 13.208 1.00 0.00 C ATOM 101 O ASP A 7 1.200 3.829 13.155 1.00 0.00 O ATOM 102 CB ASP A 7 2.486 6.167 15.128 1.00 0.00 C ATOM 103 CG ASP A 7 3.017 7.583 15.357 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.375 8.516 14.904 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.058 7.711 15.981 1.00 0.00 O ATOM 0 H ASP A 7 0.217 6.702 14.605 1.00 0.00 H new ATOM 0 HA ASP A 7 2.608 6.636 12.996 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.661 5.962 15.810 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.266 5.436 15.343 1.00 0.00 H new ATOM 110 N CYS A 8 3.355 4.170 12.878 1.00 0.00 N ATOM 111 CA CYS A 8 3.585 2.774 12.419 1.00 0.00 C ATOM 112 C CYS A 8 4.943 2.289 12.937 1.00 0.00 C ATOM 113 O CYS A 8 5.947 2.416 12.265 1.00 0.00 O ATOM 114 CB CYS A 8 3.579 2.850 10.892 1.00 0.00 C ATOM 115 SG CYS A 8 3.804 1.191 10.202 1.00 0.00 S ATOM 0 H CYS A 8 4.190 4.755 12.908 1.00 0.00 H new ATOM 0 HA CYS A 8 2.830 2.077 12.784 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.639 3.276 10.542 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.375 3.510 10.547 1.00 0.00 H new ATOM 0 HG CYS A 8 3.361 0.306 11.046 1.00 0.00 H new ATOM 121 N PRO A 9 4.922 1.754 14.130 1.00 0.00 N ATOM 122 CA PRO A 9 6.165 1.249 14.768 1.00 0.00 C ATOM 123 C PRO A 9 6.678 -0.018 14.089 1.00 0.00 C ATOM 124 O PRO A 9 7.706 -0.552 14.461 1.00 0.00 O ATOM 125 CB PRO A 9 5.736 0.935 16.194 1.00 0.00 C ATOM 126 CG PRO A 9 4.261 0.712 16.114 1.00 0.00 C ATOM 127 CD PRO A 9 3.749 1.568 14.991 1.00 0.00 C ATOM 0 HA PRO A 9 6.978 1.972 14.703 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.249 0.052 16.575 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.975 1.758 16.868 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.039 -0.339 15.930 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.779 0.980 17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.934 1.081 14.456 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.366 2.521 15.357 1.00 0.00 H new ATOM 135 N ALA A 10 5.978 -0.518 13.111 1.00 0.00 N ATOM 136 CA ALA A 10 6.441 -1.761 12.437 1.00 0.00 C ATOM 137 C ALA A 10 7.840 -1.568 11.834 1.00 0.00 C ATOM 138 O ALA A 10 8.498 -2.520 11.464 1.00 0.00 O ATOM 139 CB ALA A 10 5.418 -2.023 11.333 1.00 0.00 C ATOM 0 H ALA A 10 5.110 -0.122 12.751 1.00 0.00 H new ATOM 0 HA ALA A 10 6.515 -2.594 13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.693 -2.927 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.430 -2.152 11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.400 -1.178 10.645 1.00 0.00 H new ATOM 145 N LEU A 11 8.295 -0.349 11.722 1.00 0.00 N ATOM 146 CA LEU A 11 9.645 -0.111 11.134 1.00 0.00 C ATOM 147 C LEU A 11 10.471 0.811 12.035 1.00 0.00 C ATOM 148 O LEU A 11 11.435 0.393 12.647 1.00 0.00 O ATOM 149 CB LEU A 11 9.369 0.555 9.788 1.00 0.00 C ATOM 150 CG LEU A 11 8.773 -0.474 8.827 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.247 -0.383 8.863 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.267 -0.192 7.406 1.00 0.00 C ATOM 0 H LEU A 11 7.792 0.490 12.011 1.00 0.00 H new ATOM 0 HA LEU A 11 10.218 -1.032 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.681 1.390 9.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.292 0.963 9.375 1.00 0.00 H new ATOM 0 HG LEU A 11 9.084 -1.474 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.822 -1.117 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.894 -0.584 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.935 0.617 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.842 -0.926 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.957 0.808 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.355 -0.258 7.379 1.00 0.00 H new ATOM 164 N GLY A 12 10.106 2.064 12.120 1.00 0.00 N ATOM 165 CA GLY A 12 10.878 3.008 12.980 1.00 0.00 C ATOM 166 C GLY A 12 10.150 4.354 13.063 1.00 0.00 C ATOM 167 O GLY A 12 8.988 4.451 12.722 1.00 0.00 O ATOM 0 H GLY A 12 9.309 2.473 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.999 2.588 13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.878 3.151 12.571 1.00 0.00 H new ATOM 171 N PRO A 13 10.863 5.354 13.521 1.00 0.00 N ATOM 172 CA PRO A 13 10.276 6.711 13.656 1.00 0.00 C ATOM 173 C PRO A 13 10.108 7.368 12.282 1.00 0.00 C ATOM 174 O PRO A 13 10.958 7.254 11.421 1.00 0.00 O ATOM 175 CB PRO A 13 11.307 7.466 14.490 1.00 0.00 C ATOM 176 CG PRO A 13 12.599 6.756 14.247 1.00 0.00 C ATOM 177 CD PRO A 13 12.268 5.316 13.953 1.00 0.00 C ATOM 0 HA PRO A 13 9.285 6.701 14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.369 8.512 14.188 1.00 0.00 H new ATOM 0 HB3 PRO A 13 11.044 7.454 15.548 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.134 7.206 13.411 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.249 6.831 15.119 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.914 4.909 13.175 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.397 4.689 14.835 1.00 0.00 H new ATOM 185 N GLY A 14 9.016 8.055 12.075 1.00 0.00 N ATOM 186 CA GLY A 14 8.783 8.722 10.763 1.00 0.00 C ATOM 187 C GLY A 14 7.684 7.978 10.002 1.00 0.00 C ATOM 188 O GLY A 14 6.880 8.571 9.312 1.00 0.00 O ATOM 0 H GLY A 14 8.273 8.183 12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.494 9.761 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.703 8.731 10.179 1.00 0.00 H new ATOM 192 N TRP A 15 7.665 6.676 10.108 1.00 0.00 N ATOM 193 CA TRP A 15 6.640 5.873 9.377 1.00 0.00 C ATOM 194 C TRP A 15 5.221 6.275 9.787 1.00 0.00 C ATOM 195 O TRP A 15 4.927 6.474 10.950 1.00 0.00 O ATOM 196 CB TRP A 15 6.918 4.423 9.774 1.00 0.00 C ATOM 197 CG TRP A 15 7.972 3.853 8.881 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.263 3.656 9.232 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.848 3.402 7.500 1.00 0.00 C ATOM 200 NE1 TRP A 15 9.940 3.112 8.156 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.111 2.937 7.065 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.774 3.352 6.593 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.303 2.439 5.777 1.00 0.00 C ATOM 204 CZ3 TRP A 15 6.964 2.851 5.294 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.226 2.396 4.888 1.00 0.00 C ATOM 0 H TRP A 15 8.318 6.131 10.672 1.00 0.00 H new ATOM 0 HA TRP A 15 6.702 6.030 8.300 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.243 4.376 10.813 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.005 3.833 9.698 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.695 3.886 10.195 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.931 2.870 8.167 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.798 3.701 6.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.277 2.089 5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.133 2.816 4.605 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.366 2.012 3.888 1.00 0.00 H new ATOM 216 N LYS A 16 4.337 6.378 8.830 1.00 0.00 N ATOM 217 CA LYS A 16 2.923 6.746 9.133 1.00 0.00 C ATOM 218 C LYS A 16 1.984 5.810 8.369 1.00 0.00 C ATOM 219 O LYS A 16 2.246 5.456 7.237 1.00 0.00 O ATOM 220 CB LYS A 16 2.771 8.187 8.640 1.00 0.00 C ATOM 221 CG LYS A 16 1.985 9.000 9.670 1.00 0.00 C ATOM 222 CD LYS A 16 2.812 9.141 10.949 1.00 0.00 C ATOM 223 CE LYS A 16 3.534 10.491 10.947 1.00 0.00 C ATOM 224 NZ LYS A 16 4.918 10.186 10.487 1.00 0.00 N ATOM 0 H LYS A 16 4.536 6.221 7.842 1.00 0.00 H new ATOM 0 HA LYS A 16 2.680 6.660 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.753 8.633 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.255 8.201 7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.748 9.985 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.037 8.509 9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.165 9.064 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.537 8.330 11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.044 11.200 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.538 10.938 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.574 10.252 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.949 9.224 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.199 10.869 9.755 1.00 0.00 H new ATOM 238 N ARG A 17 0.902 5.396 8.974 1.00 0.00 N ATOM 239 CA ARG A 17 -0.032 4.470 8.266 1.00 0.00 C ATOM 240 C ARG A 17 -1.447 5.058 8.204 1.00 0.00 C ATOM 241 O ARG A 17 -1.875 5.776 9.088 1.00 0.00 O ATOM 242 CB ARG A 17 0.001 3.174 9.088 1.00 0.00 C ATOM 243 CG ARG A 17 -0.599 3.406 10.482 1.00 0.00 C ATOM 244 CD ARG A 17 -1.619 2.306 10.790 1.00 0.00 C ATOM 245 NE ARG A 17 -1.315 1.879 12.183 1.00 0.00 N ATOM 246 CZ ARG A 17 -2.279 1.758 13.054 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.398 1.178 12.715 1.00 0.00 N ATOM 248 NH2 ARG A 17 -2.124 2.217 14.267 1.00 0.00 N ATOM 0 H ARG A 17 0.625 5.656 9.921 1.00 0.00 H new ATOM 0 HA ARG A 17 0.263 4.300 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.557 2.394 8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.028 2.822 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.190 3.405 11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.079 4.384 10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.640 2.679 10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.525 1.474 10.092 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.353 1.681 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.520 0.819 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.151 1.084 13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.250 2.670 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.877 2.123 14.948 1.00 0.00 H new ATOM 262 N ARG A 18 -2.172 4.759 7.160 1.00 0.00 N ATOM 263 CA ARG A 18 -3.559 5.292 7.023 1.00 0.00 C ATOM 264 C ARG A 18 -4.501 4.180 6.549 1.00 0.00 C ATOM 265 O ARG A 18 -4.130 3.343 5.751 1.00 0.00 O ATOM 266 CB ARG A 18 -3.451 6.398 5.969 1.00 0.00 C ATOM 267 CG ARG A 18 -4.851 6.835 5.524 1.00 0.00 C ATOM 268 CD ARG A 18 -4.756 8.160 4.768 1.00 0.00 C ATOM 269 NE ARG A 18 -6.017 8.246 3.984 1.00 0.00 N ATOM 270 CZ ARG A 18 -6.612 9.398 3.832 1.00 0.00 C ATOM 271 NH1 ARG A 18 -6.904 10.123 4.877 1.00 0.00 N ATOM 272 NH2 ARG A 18 -6.915 9.823 2.636 1.00 0.00 N ATOM 0 H ARG A 18 -1.861 4.165 6.391 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.960 5.667 7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.908 7.250 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.883 6.040 5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.296 6.071 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.502 6.945 6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.660 9.001 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.883 8.181 4.115 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.416 7.406 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.667 9.789 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.369 11.023 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.687 9.255 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.380 10.723 2.517 1.00 0.00 H new ATOM 286 N GLU A 19 -5.716 4.167 7.031 1.00 0.00 N ATOM 287 CA GLU A 19 -6.680 3.111 6.603 1.00 0.00 C ATOM 288 C GLU A 19 -7.632 3.663 5.539 1.00 0.00 C ATOM 289 O GLU A 19 -8.231 4.707 5.708 1.00 0.00 O ATOM 290 CB GLU A 19 -7.453 2.735 7.870 1.00 0.00 C ATOM 291 CG GLU A 19 -7.145 1.285 8.250 1.00 0.00 C ATOM 292 CD GLU A 19 -8.248 0.753 9.165 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.171 0.997 10.357 1.00 0.00 O ATOM 294 OE2 GLU A 19 -9.153 0.111 8.657 1.00 0.00 O ATOM 0 H GLU A 19 -6.082 4.842 7.702 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.176 2.250 6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.178 3.402 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.523 2.858 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.074 0.670 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.180 1.227 8.754 1.00 0.00 H new ATOM 301 N VAL A 20 -7.777 2.965 4.445 1.00 0.00 N ATOM 302 CA VAL A 20 -8.691 3.442 3.366 1.00 0.00 C ATOM 303 C VAL A 20 -9.858 2.466 3.200 1.00 0.00 C ATOM 304 O VAL A 20 -9.752 1.477 2.503 1.00 0.00 O ATOM 305 CB VAL A 20 -7.837 3.468 2.097 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.667 4.018 0.936 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.619 4.366 2.322 1.00 0.00 C ATOM 0 H VAL A 20 -7.301 2.084 4.251 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.116 4.421 3.590 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.506 2.457 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.059 4.037 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.536 3.380 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.998 5.029 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.009 4.385 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.951 5.377 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.028 3.976 3.150 1.00 0.00 H new ATOM 317 N PHE A 21 -10.967 2.732 3.837 1.00 0.00 N ATOM 318 CA PHE A 21 -12.138 1.810 3.715 1.00 0.00 C ATOM 319 C PHE A 21 -12.889 2.065 2.403 1.00 0.00 C ATOM 320 O PHE A 21 -14.092 2.230 2.390 1.00 0.00 O ATOM 321 CB PHE A 21 -13.028 2.142 4.918 1.00 0.00 C ATOM 322 CG PHE A 21 -13.287 0.887 5.719 1.00 0.00 C ATOM 323 CD1 PHE A 21 -13.900 -0.217 5.114 1.00 0.00 C ATOM 324 CD2 PHE A 21 -12.915 0.830 7.067 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.140 -1.378 5.859 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.155 -0.332 7.811 1.00 0.00 C ATOM 327 CZ PHE A 21 -13.768 -1.436 7.207 1.00 0.00 C ATOM 0 H PHE A 21 -11.114 3.545 4.435 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.837 0.763 3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.545 2.892 5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -13.971 2.570 4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.187 -0.173 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.443 1.682 7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.613 -2.230 5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -12.867 -0.376 8.851 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.954 -2.332 7.781 1.00 0.00 H new ATOM 337 N ARG A 22 -12.186 2.078 1.296 1.00 0.00 N ATOM 338 CA ARG A 22 -12.844 2.306 -0.027 1.00 0.00 C ATOM 339 C ARG A 22 -13.757 3.537 0.007 1.00 0.00 C ATOM 340 O ARG A 22 -13.991 4.135 1.038 1.00 0.00 O ATOM 341 CB ARG A 22 -13.673 1.050 -0.269 1.00 0.00 C ATOM 342 CG ARG A 22 -12.896 0.091 -1.168 1.00 0.00 C ATOM 343 CD ARG A 22 -12.850 0.638 -2.596 1.00 0.00 C ATOM 344 NE ARG A 22 -11.410 0.612 -2.973 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.785 -0.522 -3.138 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.189 -1.097 -2.128 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.739 -1.074 -4.317 1.00 0.00 N ATOM 0 H ARG A 22 -11.176 1.939 1.253 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.110 2.488 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.906 0.567 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.623 1.313 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.883 -0.039 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.368 -0.891 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.446 0.026 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.252 1.650 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.907 1.489 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.211 -0.660 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.702 -1.983 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.191 -0.620 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.251 -1.960 -4.447 1.00 0.00 H new ATOM 361 N LYS A 23 -14.280 3.905 -1.127 1.00 0.00 N ATOM 362 CA LYS A 23 -15.194 5.075 -1.199 1.00 0.00 C ATOM 363 C LYS A 23 -16.495 4.654 -1.886 1.00 0.00 C ATOM 364 O LYS A 23 -17.573 5.026 -1.467 1.00 0.00 O ATOM 365 CB LYS A 23 -14.443 6.106 -2.041 1.00 0.00 C ATOM 366 CG LYS A 23 -15.309 7.356 -2.239 1.00 0.00 C ATOM 367 CD LYS A 23 -15.434 7.672 -3.735 1.00 0.00 C ATOM 368 CE LYS A 23 -14.041 7.823 -4.352 1.00 0.00 C ATOM 369 NZ LYS A 23 -13.446 9.009 -3.673 1.00 0.00 N ATOM 0 H LYS A 23 -14.111 3.439 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.458 5.474 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.508 6.376 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.183 5.677 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.297 7.196 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.866 8.203 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.981 6.876 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.005 8.590 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.438 6.930 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.101 7.974 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.699 9.414 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.185 9.723 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.039 8.719 -2.761 1.00 0.00 H new ATOM 383 N SER A 24 -16.394 3.861 -2.931 1.00 0.00 N ATOM 384 CA SER A 24 -17.616 3.379 -3.662 1.00 0.00 C ATOM 385 C SER A 24 -17.234 2.825 -5.039 1.00 0.00 C ATOM 386 O SER A 24 -16.074 2.773 -5.399 1.00 0.00 O ATOM 387 CB SER A 24 -18.538 4.593 -3.832 1.00 0.00 C ATOM 388 OG SER A 24 -17.753 5.759 -4.033 1.00 0.00 O ATOM 0 H SER A 24 -15.510 3.524 -3.312 1.00 0.00 H new ATOM 0 HA SER A 24 -18.107 2.580 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.205 4.440 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.166 4.712 -2.949 1.00 0.00 H new ATOM 0 HG SER A 24 -17.632 5.910 -4.994 1.00 0.00 H new ATOM 394 N GLY A 25 -18.209 2.412 -5.810 1.00 0.00 N ATOM 395 CA GLY A 25 -17.918 1.863 -7.165 1.00 0.00 C ATOM 396 C GLY A 25 -18.251 0.370 -7.197 1.00 0.00 C ATOM 397 O GLY A 25 -19.385 -0.024 -7.390 1.00 0.00 O ATOM 0 H GLY A 25 -19.197 2.433 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.504 2.393 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.868 2.017 -7.413 1.00 0.00 H new ATOM 401 N ALA A 26 -17.265 -0.457 -7.005 1.00 0.00 N ATOM 402 CA ALA A 26 -17.490 -1.932 -7.015 1.00 0.00 C ATOM 403 C ALA A 26 -16.681 -2.562 -5.883 1.00 0.00 C ATOM 404 O ALA A 26 -17.170 -3.365 -5.113 1.00 0.00 O ATOM 405 CB ALA A 26 -16.965 -2.396 -8.373 1.00 0.00 C ATOM 0 H ALA A 26 -16.299 -0.173 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.534 -2.210 -6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.093 -3.475 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.520 -1.897 -9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.907 -2.148 -8.458 1.00 0.00 H new ATOM 411 N THR A 27 -15.444 -2.174 -5.780 1.00 0.00 N ATOM 412 CA THR A 27 -14.557 -2.698 -4.706 1.00 0.00 C ATOM 413 C THR A 27 -14.937 -2.067 -3.359 1.00 0.00 C ATOM 414 O THR A 27 -14.398 -2.418 -2.328 1.00 0.00 O ATOM 415 CB THR A 27 -13.154 -2.247 -5.126 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.133 -0.829 -5.242 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.795 -2.877 -6.474 1.00 0.00 C ATOM 0 H THR A 27 -15.001 -1.503 -6.407 1.00 0.00 H new ATOM 0 HA THR A 27 -14.631 -3.779 -4.585 1.00 0.00 H new ATOM 0 HB THR A 27 -12.428 -2.564 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.892 -0.579 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.797 -2.555 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.815 -3.963 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.517 -2.562 -7.227 1.00 0.00 H new ATOM 425 N CYS A 28 -15.852 -1.127 -3.374 1.00 0.00 N ATOM 426 CA CYS A 28 -16.280 -0.439 -2.115 1.00 0.00 C ATOM 427 C CYS A 28 -16.405 -1.417 -0.942 1.00 0.00 C ATOM 428 O CYS A 28 -16.802 -2.555 -1.105 1.00 0.00 O ATOM 429 CB CYS A 28 -17.644 0.170 -2.452 1.00 0.00 C ATOM 430 SG CYS A 28 -18.810 -1.140 -2.905 1.00 0.00 S ATOM 0 H CYS A 28 -16.326 -0.803 -4.217 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.549 0.306 -1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.025 0.727 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.542 0.879 -3.274 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.437 -2.260 -2.361 1.00 0.00 H new ATOM 436 N GLY A 29 -16.075 -0.971 0.241 1.00 0.00 N ATOM 437 CA GLY A 29 -16.179 -1.860 1.436 1.00 0.00 C ATOM 438 C GLY A 29 -14.801 -2.415 1.804 1.00 0.00 C ATOM 439 O GLY A 29 -14.580 -2.864 2.912 1.00 0.00 O ATOM 0 H GLY A 29 -15.737 -0.028 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.591 -1.303 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.866 -2.680 1.229 1.00 0.00 H new ATOM 443 N ARG A 30 -13.872 -2.393 0.886 1.00 0.00 N ATOM 444 CA ARG A 30 -12.510 -2.924 1.186 1.00 0.00 C ATOM 445 C ARG A 30 -11.706 -1.900 1.992 1.00 0.00 C ATOM 446 O ARG A 30 -11.932 -0.709 1.900 1.00 0.00 O ATOM 447 CB ARG A 30 -11.866 -3.159 -0.180 1.00 0.00 C ATOM 448 CG ARG A 30 -12.395 -4.467 -0.770 1.00 0.00 C ATOM 449 CD ARG A 30 -11.896 -4.615 -2.208 1.00 0.00 C ATOM 450 NE ARG A 30 -10.791 -5.610 -2.132 1.00 0.00 N ATOM 451 CZ ARG A 30 -11.060 -6.875 -1.961 1.00 0.00 C ATOM 452 NH1 ARG A 30 -11.993 -7.447 -2.674 1.00 0.00 N ATOM 453 NH2 ARG A 30 -10.398 -7.569 -1.076 1.00 0.00 N ATOM 0 H ARG A 30 -13.997 -2.030 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.545 -3.836 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.091 -2.328 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.781 -3.204 -0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.060 -5.312 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.485 -4.474 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.692 -4.959 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.543 -3.663 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.822 -5.302 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.512 -6.905 -3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.203 -8.436 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.670 -7.122 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.608 -8.558 -0.942 1.00 0.00 H new ATOM 467 N SER A 31 -10.769 -2.356 2.779 1.00 0.00 N ATOM 468 CA SER A 31 -9.947 -1.412 3.590 1.00 0.00 C ATOM 469 C SER A 31 -8.474 -1.516 3.190 1.00 0.00 C ATOM 470 O SER A 31 -7.792 -2.462 3.534 1.00 0.00 O ATOM 471 CB SER A 31 -10.146 -1.852 5.041 1.00 0.00 C ATOM 472 OG SER A 31 -9.067 -1.375 5.832 1.00 0.00 O ATOM 0 H SER A 31 -10.537 -3.342 2.895 1.00 0.00 H new ATOM 0 HA SER A 31 -10.243 -0.374 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.090 -1.465 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.200 -2.939 5.099 1.00 0.00 H new ATOM 0 HG SER A 31 -9.418 -0.962 6.649 1.00 0.00 H new ATOM 478 N ASP A 32 -7.980 -0.547 2.469 1.00 0.00 N ATOM 479 CA ASP A 32 -6.553 -0.580 2.043 1.00 0.00 C ATOM 480 C ASP A 32 -5.717 0.303 2.967 1.00 0.00 C ATOM 481 O ASP A 32 -5.992 1.473 3.139 1.00 0.00 O ATOM 482 CB ASP A 32 -6.555 -0.034 0.618 1.00 0.00 C ATOM 483 CG ASP A 32 -7.336 -0.985 -0.292 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.510 -1.190 -0.031 1.00 0.00 O ATOM 485 OD2 ASP A 32 -6.747 -1.491 -1.232 1.00 0.00 O ATOM 0 H ASP A 32 -8.506 0.269 2.156 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.123 -1.581 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.006 0.958 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.532 0.074 0.257 1.00 0.00 H new ATOM 490 N THR A 33 -4.704 -0.253 3.572 1.00 0.00 N ATOM 491 CA THR A 33 -3.860 0.552 4.498 1.00 0.00 C ATOM 492 C THR A 33 -2.588 1.020 3.790 1.00 0.00 C ATOM 493 O THR A 33 -1.736 0.232 3.428 1.00 0.00 O ATOM 494 CB THR A 33 -3.519 -0.398 5.651 1.00 0.00 C ATOM 495 OG1 THR A 33 -4.642 -1.221 5.934 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.158 0.417 6.894 1.00 0.00 C ATOM 0 H THR A 33 -4.425 -1.228 3.465 1.00 0.00 H new ATOM 0 HA THR A 33 -4.372 1.449 4.847 1.00 0.00 H new ATOM 0 HB THR A 33 -2.672 -1.023 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.732 -1.330 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.915 -0.259 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.297 1.049 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.004 1.043 7.177 1.00 0.00 H new ATOM 504 N TYR A 34 -2.458 2.305 3.595 1.00 0.00 N ATOM 505 CA TYR A 34 -1.247 2.847 2.917 1.00 0.00 C ATOM 506 C TYR A 34 -0.359 3.554 3.945 1.00 0.00 C ATOM 507 O TYR A 34 -0.847 4.191 4.857 1.00 0.00 O ATOM 508 CB TYR A 34 -1.782 3.850 1.893 1.00 0.00 C ATOM 509 CG TYR A 34 -2.513 3.115 0.795 1.00 0.00 C ATOM 510 CD1 TYR A 34 -1.803 2.630 -0.308 1.00 0.00 C ATOM 511 CD2 TYR A 34 -3.901 2.925 0.874 1.00 0.00 C ATOM 512 CE1 TYR A 34 -2.475 1.956 -1.334 1.00 0.00 C ATOM 513 CE2 TYR A 34 -4.571 2.253 -0.153 1.00 0.00 C ATOM 514 CZ TYR A 34 -3.859 1.766 -1.256 1.00 0.00 C ATOM 515 OH TYR A 34 -4.522 1.102 -2.268 1.00 0.00 O ATOM 0 H TYR A 34 -3.143 3.006 3.878 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.646 2.070 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.453 4.558 2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.960 4.428 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.735 2.776 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.451 3.297 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.926 1.583 -2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.640 2.109 -0.095 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.478 1.055 -2.057 1.00 0.00 H new ATOM 525 N TYR A 35 0.935 3.446 3.813 1.00 0.00 N ATOM 526 CA TYR A 35 1.836 4.116 4.798 1.00 0.00 C ATOM 527 C TYR A 35 3.044 4.726 4.086 1.00 0.00 C ATOM 528 O TYR A 35 3.506 4.222 3.081 1.00 0.00 O ATOM 529 CB TYR A 35 2.298 3.022 5.778 1.00 0.00 C ATOM 530 CG TYR A 35 1.704 1.681 5.409 1.00 0.00 C ATOM 531 CD1 TYR A 35 2.342 0.868 4.464 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.520 1.250 6.017 1.00 0.00 C ATOM 533 CE1 TYR A 35 1.794 -0.374 4.127 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.028 0.007 5.680 1.00 0.00 C ATOM 535 CZ TYR A 35 0.610 -0.805 4.735 1.00 0.00 C ATOM 536 OH TYR A 35 0.069 -2.031 4.403 1.00 0.00 O ATOM 0 H TYR A 35 1.406 2.927 3.072 1.00 0.00 H new ATOM 0 HA TYR A 35 1.319 4.923 5.317 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.386 2.957 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.002 3.289 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.257 1.200 3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.029 1.877 6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.285 -1.001 3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.942 -0.325 6.149 1.00 0.00 H new ATOM 0 HH TYR A 35 0.049 -2.126 3.428 1.00 0.00 H new ATOM 546 N GLN A 36 3.565 5.804 4.610 1.00 0.00 N ATOM 547 CA GLN A 36 4.753 6.444 3.977 1.00 0.00 C ATOM 548 C GLN A 36 6.003 6.139 4.803 1.00 0.00 C ATOM 549 O GLN A 36 5.930 5.899 5.994 1.00 0.00 O ATOM 550 CB GLN A 36 4.455 7.944 3.984 1.00 0.00 C ATOM 551 CG GLN A 36 5.551 8.686 3.211 1.00 0.00 C ATOM 552 CD GLN A 36 4.931 9.847 2.433 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.897 10.363 2.807 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.525 10.285 1.355 1.00 0.00 N ATOM 0 H GLN A 36 3.218 6.268 5.449 1.00 0.00 H new ATOM 0 HA GLN A 36 4.935 6.077 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.482 8.135 3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.406 8.311 5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.308 9.060 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.054 8.003 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.393 9.853 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.120 11.059 0.829 1.00 0.00 H new ATOM 563 N SER A 37 7.150 6.147 4.177 1.00 0.00 N ATOM 564 CA SER A 37 8.416 5.857 4.915 1.00 0.00 C ATOM 565 C SER A 37 8.572 6.817 6.097 1.00 0.00 C ATOM 566 O SER A 37 7.682 7.597 6.378 1.00 0.00 O ATOM 567 CB SER A 37 9.523 6.072 3.888 1.00 0.00 C ATOM 568 OG SER A 37 9.945 7.430 3.914 1.00 0.00 O ATOM 0 H SER A 37 7.266 6.343 3.183 1.00 0.00 H new ATOM 0 HA SER A 37 8.437 4.849 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.366 5.415 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.164 5.812 2.892 1.00 0.00 H new ATOM 0 HG SER A 37 10.918 7.472 3.807 1.00 0.00 H new ATOM 574 N PRO A 38 9.692 6.728 6.763 1.00 0.00 N ATOM 575 CA PRO A 38 9.931 7.597 7.923 1.00 0.00 C ATOM 576 C PRO A 38 10.444 8.969 7.491 1.00 0.00 C ATOM 577 O PRO A 38 10.552 9.869 8.302 1.00 0.00 O ATOM 578 CB PRO A 38 10.986 6.849 8.724 1.00 0.00 C ATOM 579 CG PRO A 38 11.704 5.984 7.737 1.00 0.00 C ATOM 580 CD PRO A 38 10.825 5.832 6.515 1.00 0.00 C ATOM 0 HA PRO A 38 9.023 7.791 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.673 7.542 9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.528 6.249 9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.660 6.431 7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.921 5.009 8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.358 6.109 5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.495 4.801 6.389 1.00 0.00 H new ATOM 588 N THR A 39 10.773 9.156 6.234 1.00 0.00 N ATOM 589 CA THR A 39 11.281 10.499 5.831 1.00 0.00 C ATOM 590 C THR A 39 11.366 10.680 4.305 1.00 0.00 C ATOM 591 O THR A 39 12.088 11.536 3.831 1.00 0.00 O ATOM 592 CB THR A 39 12.670 10.581 6.469 1.00 0.00 C ATOM 593 OG1 THR A 39 13.217 11.873 6.251 1.00 0.00 O ATOM 594 CG2 THR A 39 13.585 9.521 5.853 1.00 0.00 C ATOM 0 H THR A 39 10.714 8.458 5.492 1.00 0.00 H new ATOM 0 HA THR A 39 10.607 11.289 6.161 1.00 0.00 H new ATOM 0 HB THR A 39 12.586 10.401 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.989 12.177 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.573 9.583 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.165 8.531 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.670 9.693 4.780 1.00 0.00 H new ATOM 602 N GLY A 40 10.629 9.926 3.523 1.00 0.00 N ATOM 603 CA GLY A 40 10.696 10.145 2.043 1.00 0.00 C ATOM 604 C GLY A 40 10.561 8.836 1.254 1.00 0.00 C ATOM 605 O GLY A 40 11.526 8.319 0.730 1.00 0.00 O ATOM 0 H GLY A 40 9.999 9.187 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.904 10.831 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.643 10.622 1.791 1.00 0.00 H new ATOM 609 N ASP A 41 9.360 8.325 1.133 1.00 0.00 N ATOM 610 CA ASP A 41 9.121 7.070 0.341 1.00 0.00 C ATOM 611 C ASP A 41 7.693 6.574 0.591 1.00 0.00 C ATOM 612 O ASP A 41 7.382 6.064 1.648 1.00 0.00 O ATOM 613 CB ASP A 41 10.145 6.032 0.822 1.00 0.00 C ATOM 614 CG ASP A 41 11.051 5.627 -0.345 1.00 0.00 C ATOM 615 OD1 ASP A 41 11.732 6.492 -0.870 1.00 0.00 O ATOM 616 OD2 ASP A 41 11.046 4.458 -0.694 1.00 0.00 O ATOM 0 H ASP A 41 8.522 8.727 1.554 1.00 0.00 H new ATOM 0 HA ASP A 41 9.234 7.246 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.743 6.445 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.632 5.156 1.218 1.00 0.00 H new ATOM 621 N ARG A 42 6.821 6.730 -0.368 1.00 0.00 N ATOM 622 CA ARG A 42 5.410 6.278 -0.178 1.00 0.00 C ATOM 623 C ARG A 42 5.290 4.766 -0.397 1.00 0.00 C ATOM 624 O ARG A 42 5.673 4.246 -1.427 1.00 0.00 O ATOM 625 CB ARG A 42 4.605 7.035 -1.236 1.00 0.00 C ATOM 626 CG ARG A 42 3.116 6.980 -0.884 1.00 0.00 C ATOM 627 CD ARG A 42 2.813 7.996 0.219 1.00 0.00 C ATOM 628 NE ARG A 42 2.559 9.279 -0.494 1.00 0.00 N ATOM 629 CZ ARG A 42 1.942 10.253 0.115 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.781 10.043 0.675 1.00 0.00 N ATOM 631 NH2 ARG A 42 2.486 11.439 0.167 1.00 0.00 N ATOM 0 H ARG A 42 7.023 7.151 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 42 5.053 6.477 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.939 8.071 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.773 6.595 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.515 7.196 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.847 5.977 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.946 7.693 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.650 8.088 0.911 1.00 0.00 H new ATOM 0 HE ARG A 42 2.868 9.396 -1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.356 9.116 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.299 10.805 1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.393 11.603 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.003 12.201 0.643 1.00 0.00 H new ATOM 645 N ILE A 43 4.753 4.060 0.565 1.00 0.00 N ATOM 646 CA ILE A 43 4.598 2.582 0.416 1.00 0.00 C ATOM 647 C ILE A 43 3.111 2.229 0.334 1.00 0.00 C ATOM 648 O ILE A 43 2.278 2.853 0.964 1.00 0.00 O ATOM 649 CB ILE A 43 5.244 1.979 1.675 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.747 1.786 1.442 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.618 0.614 1.991 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.367 3.088 0.940 1.00 0.00 C ATOM 0 H ILE A 43 4.415 4.444 1.448 1.00 0.00 H new ATOM 0 HA ILE A 43 5.067 2.198 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 43 5.078 2.660 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.231 1.476 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.912 0.991 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.084 0.198 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.548 0.735 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.776 -0.062 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.435 2.943 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.893 3.379 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.216 3.872 1.682 1.00 0.00 H new ATOM 664 N ARG A 44 2.775 1.230 -0.432 1.00 0.00 N ATOM 665 CA ARG A 44 1.346 0.829 -0.553 1.00 0.00 C ATOM 666 C ARG A 44 1.152 -0.611 -0.072 1.00 0.00 C ATOM 667 O ARG A 44 0.068 -1.155 -0.157 1.00 0.00 O ATOM 668 CB ARG A 44 1.028 0.932 -2.045 1.00 0.00 C ATOM 669 CG ARG A 44 1.295 2.354 -2.537 1.00 0.00 C ATOM 670 CD ARG A 44 0.356 2.665 -3.704 1.00 0.00 C ATOM 671 NE ARG A 44 0.619 4.091 -4.036 1.00 0.00 N ATOM 672 CZ ARG A 44 0.202 4.585 -5.171 1.00 0.00 C ATOM 673 NH1 ARG A 44 0.573 4.038 -6.296 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.585 5.626 -5.181 1.00 0.00 N ATOM 0 H ARG A 44 3.430 0.673 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 44 0.694 1.459 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.638 0.223 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.014 0.666 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.138 3.067 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.333 2.454 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.557 2.017 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.686 2.510 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 44 1.125 4.683 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.189 3.225 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.247 4.424 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.875 6.055 -4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.910 6.011 -6.068 1.00 0.00 H new ATOM 688 N SER A 45 2.189 -1.240 0.421 1.00 0.00 N ATOM 689 CA SER A 45 2.038 -2.652 0.886 1.00 0.00 C ATOM 690 C SER A 45 3.289 -3.099 1.652 1.00 0.00 C ATOM 691 O SER A 45 4.122 -2.294 2.022 1.00 0.00 O ATOM 692 CB SER A 45 1.874 -3.461 -0.407 1.00 0.00 C ATOM 693 OG SER A 45 2.883 -4.460 -0.484 1.00 0.00 O ATOM 0 H SER A 45 3.123 -0.843 0.521 1.00 0.00 H new ATOM 0 HA SER A 45 1.196 -2.783 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.888 -3.925 -0.433 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.938 -2.799 -1.271 1.00 0.00 H new ATOM 0 HG SER A 45 2.772 -4.974 -1.311 1.00 0.00 H new ATOM 699 N LYS A 46 3.435 -4.381 1.872 1.00 0.00 N ATOM 700 CA LYS A 46 4.641 -4.879 2.588 1.00 0.00 C ATOM 701 C LYS A 46 5.816 -4.910 1.611 1.00 0.00 C ATOM 702 O LYS A 46 6.924 -4.538 1.948 1.00 0.00 O ATOM 703 CB LYS A 46 4.287 -6.289 3.060 1.00 0.00 C ATOM 704 CG LYS A 46 5.188 -6.671 4.235 1.00 0.00 C ATOM 705 CD LYS A 46 5.004 -8.155 4.559 1.00 0.00 C ATOM 706 CE LYS A 46 6.089 -8.967 3.848 1.00 0.00 C ATOM 707 NZ LYS A 46 5.466 -10.295 3.585 1.00 0.00 N ATOM 0 H LYS A 46 2.771 -5.101 1.586 1.00 0.00 H new ATOM 0 HA LYS A 46 4.924 -4.248 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.240 -6.332 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.413 -7.000 2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.230 -6.468 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.943 -6.065 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.062 -8.314 5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.016 -8.489 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.398 -8.485 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.980 -9.065 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.150 -10.909 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.188 -10.733 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.625 -10.171 2.986 1.00 0.00 H new ATOM 721 N VAL A 47 5.579 -5.330 0.391 1.00 0.00 N ATOM 722 CA VAL A 47 6.681 -5.353 -0.610 1.00 0.00 C ATOM 723 C VAL A 47 7.235 -3.935 -0.768 1.00 0.00 C ATOM 724 O VAL A 47 8.420 -3.706 -0.634 1.00 0.00 O ATOM 725 CB VAL A 47 6.024 -5.840 -1.901 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.954 -5.591 -3.089 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.733 -7.337 -1.789 1.00 0.00 C ATOM 0 H VAL A 47 4.674 -5.655 0.051 1.00 0.00 H new ATOM 0 HA VAL A 47 7.514 -5.996 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 47 5.093 -5.294 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.477 -5.941 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.160 -4.524 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.889 -6.130 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.264 -7.686 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.666 -7.878 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.061 -7.515 -0.949 1.00 0.00 H new ATOM 737 N GLU A 48 6.373 -2.975 -1.023 1.00 0.00 N ATOM 738 CA GLU A 48 6.842 -1.563 -1.157 1.00 0.00 C ATOM 739 C GLU A 48 7.693 -1.210 0.065 1.00 0.00 C ATOM 740 O GLU A 48 8.703 -0.536 -0.029 1.00 0.00 O ATOM 741 CB GLU A 48 5.567 -0.715 -1.197 1.00 0.00 C ATOM 742 CG GLU A 48 5.319 -0.228 -2.627 1.00 0.00 C ATOM 743 CD GLU A 48 6.342 0.853 -2.981 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.405 1.838 -2.266 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.044 0.677 -3.963 1.00 0.00 O ATOM 0 H GLU A 48 5.369 -3.112 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 48 7.451 -1.397 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.717 -1.302 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.663 0.137 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.398 -1.061 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.308 0.169 -2.717 1.00 0.00 H new ATOM 752 N LEU A 49 7.294 -1.699 1.208 1.00 0.00 N ATOM 753 CA LEU A 49 8.073 -1.442 2.449 1.00 0.00 C ATOM 754 C LEU A 49 9.414 -2.165 2.339 1.00 0.00 C ATOM 755 O LEU A 49 10.462 -1.620 2.631 1.00 0.00 O ATOM 756 CB LEU A 49 7.221 -2.046 3.572 1.00 0.00 C ATOM 757 CG LEU A 49 7.417 -1.256 4.866 1.00 0.00 C ATOM 758 CD1 LEU A 49 6.476 -0.052 4.878 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.100 -2.158 6.066 1.00 0.00 C ATOM 0 H LEU A 49 6.457 -2.268 1.334 1.00 0.00 H new ATOM 0 HA LEU A 49 8.277 -0.386 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.169 -2.035 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.498 -3.089 3.728 1.00 0.00 H new ATOM 0 HG LEU A 49 8.449 -0.912 4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.617 0.510 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.696 0.590 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.444 -0.396 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.239 -1.597 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.067 -2.500 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.768 -3.019 6.061 1.00 0.00 H new ATOM 771 N THR A 50 9.378 -3.393 1.897 1.00 0.00 N ATOM 772 CA THR A 50 10.632 -4.177 1.736 1.00 0.00 C ATOM 773 C THR A 50 11.533 -3.520 0.683 1.00 0.00 C ATOM 774 O THR A 50 12.714 -3.797 0.605 1.00 0.00 O ATOM 775 CB THR A 50 10.166 -5.560 1.266 1.00 0.00 C ATOM 776 OG1 THR A 50 9.384 -6.163 2.287 1.00 0.00 O ATOM 777 CG2 THR A 50 11.380 -6.443 0.965 1.00 0.00 C ATOM 0 H THR A 50 8.525 -3.889 1.639 1.00 0.00 H new ATOM 0 HA THR A 50 11.214 -4.232 2.656 1.00 0.00 H new ATOM 0 HB THR A 50 9.569 -5.452 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.493 -5.755 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.042 -7.424 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.981 -5.981 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.982 -6.554 1.867 1.00 0.00 H new ATOM 785 N ARG A 51 10.984 -2.652 -0.131 1.00 0.00 N ATOM 786 CA ARG A 51 11.813 -1.982 -1.178 1.00 0.00 C ATOM 787 C ARG A 51 12.672 -0.878 -0.555 1.00 0.00 C ATOM 788 O ARG A 51 13.885 -0.915 -0.618 1.00 0.00 O ATOM 789 CB ARG A 51 10.811 -1.378 -2.163 1.00 0.00 C ATOM 790 CG ARG A 51 9.921 -2.483 -2.735 1.00 0.00 C ATOM 791 CD ARG A 51 9.781 -2.297 -4.249 1.00 0.00 C ATOM 792 NE ARG A 51 9.199 -3.577 -4.743 1.00 0.00 N ATOM 793 CZ ARG A 51 9.951 -4.434 -5.377 1.00 0.00 C ATOM 794 NH1 ARG A 51 10.970 -4.981 -4.772 1.00 0.00 N ATOM 795 NH2 ARG A 51 9.682 -4.746 -6.615 1.00 0.00 N ATOM 0 H ARG A 51 10.001 -2.380 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 51 12.493 -2.682 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.199 -0.628 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.340 -0.870 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.351 -3.460 -2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.939 -2.454 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.134 -1.452 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.747 -2.098 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 51 8.213 -3.783 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.178 -4.738 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.558 -5.651 -5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.884 -4.320 -7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.270 -5.416 -7.111 1.00 0.00 H new ATOM 809 N TYR A 52 12.051 0.108 0.043 1.00 0.00 N ATOM 810 CA TYR A 52 12.840 1.217 0.663 1.00 0.00 C ATOM 811 C TYR A 52 13.789 0.664 1.731 1.00 0.00 C ATOM 812 O TYR A 52 14.767 1.290 2.088 1.00 0.00 O ATOM 813 CB TYR A 52 11.800 2.154 1.293 1.00 0.00 C ATOM 814 CG TYR A 52 12.415 3.513 1.582 1.00 0.00 C ATOM 815 CD1 TYR A 52 13.361 4.068 0.705 1.00 0.00 C ATOM 816 CD2 TYR A 52 12.031 4.225 2.729 1.00 0.00 C ATOM 817 CE1 TYR A 52 13.918 5.324 0.976 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.589 5.481 2.996 1.00 0.00 C ATOM 819 CZ TYR A 52 13.533 6.029 2.120 1.00 0.00 C ATOM 820 OH TYR A 52 14.082 7.267 2.385 1.00 0.00 O ATOM 0 H TYR A 52 11.038 0.193 0.129 1.00 0.00 H new ATOM 0 HA TYR A 52 13.458 1.737 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.950 2.268 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.419 1.717 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.659 3.525 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.304 3.803 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 52 14.646 5.748 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.291 6.027 3.879 1.00 0.00 H new ATOM 0 HH TYR A 52 13.528 7.965 1.977 1.00 0.00 H new ATOM 830 N LEU A 53 13.507 -0.506 2.243 1.00 0.00 N ATOM 831 CA LEU A 53 14.393 -1.099 3.287 1.00 0.00 C ATOM 832 C LEU A 53 15.457 -1.992 2.643 1.00 0.00 C ATOM 833 O LEU A 53 16.463 -2.307 3.249 1.00 0.00 O ATOM 834 CB LEU A 53 13.463 -1.928 4.170 1.00 0.00 C ATOM 835 CG LEU A 53 12.369 -1.027 4.746 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.271 -1.890 5.368 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.972 -0.113 5.816 1.00 0.00 C ATOM 0 H LEU A 53 12.702 -1.076 1.983 1.00 0.00 H new ATOM 0 HA LEU A 53 14.925 -0.336 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.016 -2.735 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.029 -2.392 4.977 1.00 0.00 H new ATOM 0 HG LEU A 53 11.942 -0.419 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.492 -1.248 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.842 -2.539 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.696 -2.500 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.193 0.529 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.400 -0.720 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.753 0.503 5.370 1.00 0.00 H new ATOM 849 N GLY A 54 15.247 -2.405 1.421 1.00 0.00 N ATOM 850 CA GLY A 54 16.247 -3.277 0.746 1.00 0.00 C ATOM 851 C GLY A 54 15.689 -4.696 0.627 1.00 0.00 C ATOM 852 O GLY A 54 14.821 -5.085 1.384 1.00 0.00 O ATOM 0 H GLY A 54 14.425 -2.175 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.480 -2.883 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.178 -3.287 1.313 1.00 0.00 H new ATOM 856 N PRO A 55 16.209 -5.428 -0.323 1.00 0.00 N ATOM 857 CA PRO A 55 15.756 -6.825 -0.541 1.00 0.00 C ATOM 858 C PRO A 55 16.232 -7.726 0.601 1.00 0.00 C ATOM 859 O PRO A 55 15.700 -8.797 0.820 1.00 0.00 O ATOM 860 CB PRO A 55 16.417 -7.215 -1.860 1.00 0.00 C ATOM 861 CG PRO A 55 17.611 -6.322 -1.972 1.00 0.00 C ATOM 862 CD PRO A 55 17.257 -5.034 -1.272 1.00 0.00 C ATOM 0 HA PRO A 55 14.671 -6.925 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.708 -8.265 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.737 -7.072 -2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.485 -6.785 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 55 17.860 -6.138 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.119 -4.606 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 55 16.898 -4.282 -1.975 1.00 0.00 H new ATOM 870 N ALA A 56 17.225 -7.298 1.336 1.00 0.00 N ATOM 871 CA ALA A 56 17.728 -8.129 2.468 1.00 0.00 C ATOM 872 C ALA A 56 17.011 -7.747 3.768 1.00 0.00 C ATOM 873 O ALA A 56 17.432 -8.113 4.848 1.00 0.00 O ATOM 874 CB ALA A 56 19.219 -7.808 2.563 1.00 0.00 C ATOM 0 H ALA A 56 17.708 -6.410 1.201 1.00 0.00 H new ATOM 0 HA ALA A 56 17.549 -9.193 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.664 -8.382 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.708 -8.069 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 56 19.350 -6.743 2.757 1.00 0.00 H new ATOM 880 N CYS A 57 15.930 -7.016 3.671 1.00 0.00 N ATOM 881 CA CYS A 57 15.185 -6.613 4.899 1.00 0.00 C ATOM 882 C CYS A 57 13.749 -7.143 4.839 1.00 0.00 C ATOM 883 O CYS A 57 12.803 -6.390 4.720 1.00 0.00 O ATOM 884 CB CYS A 57 15.199 -5.082 4.889 1.00 0.00 C ATOM 885 SG CYS A 57 16.745 -4.489 5.621 1.00 0.00 S ATOM 0 H CYS A 57 15.532 -6.681 2.794 1.00 0.00 H new ATOM 0 HA CYS A 57 15.634 -7.014 5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.103 -4.713 3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.347 -4.696 5.449 1.00 0.00 H new ATOM 0 HG CYS A 57 17.179 -3.464 4.949 1.00 0.00 H new ATOM 891 N ASP A 58 13.582 -8.438 4.916 1.00 0.00 N ATOM 892 CA ASP A 58 12.209 -9.025 4.860 1.00 0.00 C ATOM 893 C ASP A 58 11.337 -8.448 5.979 1.00 0.00 C ATOM 894 O ASP A 58 11.834 -7.939 6.964 1.00 0.00 O ATOM 895 CB ASP A 58 12.408 -10.529 5.062 1.00 0.00 C ATOM 896 CG ASP A 58 12.221 -11.258 3.730 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.662 -10.730 2.722 1.00 0.00 O ATOM 898 OD2 ASP A 58 11.638 -12.329 3.740 1.00 0.00 O ATOM 0 H ASP A 58 14.338 -9.116 5.015 1.00 0.00 H new ATOM 0 HA ASP A 58 11.707 -8.802 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.405 -10.724 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.695 -10.904 5.796 1.00 0.00 H new ATOM 903 N LEU A 59 10.041 -8.527 5.832 1.00 0.00 N ATOM 904 CA LEU A 59 9.135 -7.987 6.886 1.00 0.00 C ATOM 905 C LEU A 59 7.935 -8.917 7.075 1.00 0.00 C ATOM 906 O LEU A 59 6.797 -8.490 7.062 1.00 0.00 O ATOM 907 CB LEU A 59 8.676 -6.625 6.360 1.00 0.00 C ATOM 908 CG LEU A 59 9.881 -5.688 6.226 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.426 -4.353 5.628 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.502 -5.448 7.608 1.00 0.00 C ATOM 0 H LEU A 59 9.571 -8.942 5.027 1.00 0.00 H new ATOM 0 HA LEU A 59 9.632 -7.903 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.187 -6.744 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.941 -6.192 7.038 1.00 0.00 H new ATOM 0 HG LEU A 59 10.624 -6.144 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.283 -3.686 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.989 -4.525 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.682 -3.897 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.359 -4.781 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.761 -4.993 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.828 -6.398 8.031 1.00 0.00 H new ATOM 922 N THR A 60 8.182 -10.187 7.247 1.00 0.00 N ATOM 923 CA THR A 60 7.058 -11.152 7.431 1.00 0.00 C ATOM 924 C THR A 60 6.286 -10.828 8.716 1.00 0.00 C ATOM 925 O THR A 60 5.111 -11.115 8.832 1.00 0.00 O ATOM 926 CB THR A 60 7.720 -12.529 7.536 1.00 0.00 C ATOM 927 OG1 THR A 60 8.941 -12.529 6.808 1.00 0.00 O ATOM 928 CG2 THR A 60 6.784 -13.592 6.960 1.00 0.00 C ATOM 0 H THR A 60 9.115 -10.600 7.268 1.00 0.00 H new ATOM 0 HA THR A 60 6.343 -11.109 6.610 1.00 0.00 H new ATOM 0 HB THR A 60 7.923 -12.752 8.583 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.364 -13.410 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.256 -14.572 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.849 -13.596 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.579 -13.367 5.913 1.00 0.00 H new ATOM 936 N LEU A 61 6.939 -10.235 9.678 1.00 0.00 N ATOM 937 CA LEU A 61 6.245 -9.894 10.955 1.00 0.00 C ATOM 938 C LEU A 61 5.379 -8.643 10.777 1.00 0.00 C ATOM 939 O LEU A 61 4.481 -8.384 11.553 1.00 0.00 O ATOM 940 CB LEU A 61 7.371 -9.631 11.958 1.00 0.00 C ATOM 941 CG LEU A 61 8.108 -10.940 12.250 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.606 -10.665 12.389 1.00 0.00 C ATOM 943 CD2 LEU A 61 7.580 -11.542 13.554 1.00 0.00 C ATOM 0 H LEU A 61 7.923 -9.971 9.636 1.00 0.00 H new ATOM 0 HA LEU A 61 5.579 -10.691 11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.065 -8.892 11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.962 -9.217 12.880 1.00 0.00 H new ATOM 0 HG LEU A 61 7.941 -11.639 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.129 -11.598 12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.985 -10.235 11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.773 -9.965 13.208 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.104 -12.474 13.763 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.746 -10.841 14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.512 -11.740 13.457 1.00 0.00 H new ATOM 955 N PHE A 62 5.642 -7.864 9.760 1.00 0.00 N ATOM 956 CA PHE A 62 4.830 -6.631 9.535 1.00 0.00 C ATOM 957 C PHE A 62 3.405 -7.003 9.118 1.00 0.00 C ATOM 958 O PHE A 62 3.182 -7.997 8.454 1.00 0.00 O ATOM 959 CB PHE A 62 5.543 -5.885 8.406 1.00 0.00 C ATOM 960 CG PHE A 62 4.790 -4.616 8.083 1.00 0.00 C ATOM 961 CD1 PHE A 62 3.662 -4.663 7.254 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.218 -3.393 8.614 1.00 0.00 C ATOM 963 CE1 PHE A 62 2.963 -3.487 6.956 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.519 -2.217 8.315 1.00 0.00 C ATOM 965 CZ PHE A 62 3.391 -2.264 7.486 1.00 0.00 C ATOM 0 H PHE A 62 6.382 -8.028 9.077 1.00 0.00 H new ATOM 0 HA PHE A 62 4.747 -6.023 10.436 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.565 -5.648 8.702 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.606 -6.518 7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.331 -5.606 6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.087 -3.357 9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.093 -3.523 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.850 -1.274 8.724 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.852 -1.357 7.256 1.00 0.00 H new ATOM 975 N ASP A 63 2.440 -6.209 9.501 1.00 0.00 N ATOM 976 CA ASP A 63 1.029 -6.512 9.126 1.00 0.00 C ATOM 977 C ASP A 63 0.531 -5.504 8.086 1.00 0.00 C ATOM 978 O ASP A 63 0.461 -4.317 8.342 1.00 0.00 O ATOM 979 CB ASP A 63 0.236 -6.380 10.427 1.00 0.00 C ATOM 980 CG ASP A 63 0.081 -7.758 11.072 1.00 0.00 C ATOM 981 OD1 ASP A 63 1.086 -8.431 11.233 1.00 0.00 O ATOM 982 OD2 ASP A 63 -1.039 -8.118 11.395 1.00 0.00 O ATOM 0 H ASP A 63 2.569 -5.364 10.057 1.00 0.00 H new ATOM 0 HA ASP A 63 0.922 -7.502 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.748 -5.702 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.745 -5.949 10.226 1.00 0.00 H new ATOM 987 N PHE A 64 0.188 -5.970 6.915 1.00 0.00 N ATOM 988 CA PHE A 64 -0.305 -5.045 5.850 1.00 0.00 C ATOM 989 C PHE A 64 -1.540 -4.280 6.341 1.00 0.00 C ATOM 990 O PHE A 64 -1.786 -3.159 5.940 1.00 0.00 O ATOM 991 CB PHE A 64 -0.657 -5.961 4.673 1.00 0.00 C ATOM 992 CG PHE A 64 -1.369 -5.173 3.595 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.692 -4.167 2.897 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.708 -5.454 3.296 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.353 -3.442 1.898 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.369 -4.727 2.300 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.691 -3.722 1.600 1.00 0.00 C ATOM 0 H PHE A 64 0.228 -6.954 6.648 1.00 0.00 H new ATOM 0 HA PHE A 64 0.434 -4.293 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.250 -6.409 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.291 -6.779 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.340 -3.950 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.230 -6.231 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.830 -2.667 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.403 -4.941 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.201 -3.163 0.830 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.319 -4.878 7.204 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.538 -4.184 7.718 1.00 0.00 C ATOM 1009 C LYS A 65 -3.208 -3.389 8.985 1.00 0.00 C ATOM 1010 O LYS A 65 -3.309 -2.178 9.012 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.531 -5.306 8.029 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.852 -5.038 7.302 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.640 -5.167 5.792 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.958 -4.887 5.065 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.663 -5.135 3.626 1.00 0.00 N ATOM 0 H LYS A 65 -2.165 -5.816 7.575 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.940 -3.471 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.120 -6.266 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.701 -5.367 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.612 -5.745 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.217 -4.040 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.874 -4.466 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.284 -6.168 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.753 -5.541 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.290 -3.862 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.928 -4.298 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.647 -5.323 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.208 -5.957 3.297 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.821 -4.062 10.036 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.492 -3.348 11.306 1.00 0.00 C ATOM 1031 C GLN A 66 -1.339 -2.363 11.087 1.00 0.00 C ATOM 1032 O GLN A 66 -1.308 -1.294 11.665 1.00 0.00 O ATOM 1033 CB GLN A 66 -2.080 -4.448 12.287 1.00 0.00 C ATOM 1034 CG GLN A 66 -3.245 -5.421 12.485 1.00 0.00 C ATOM 1035 CD GLN A 66 -3.072 -6.166 13.810 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -3.677 -5.723 14.878 1.00 0.00 O flip ATOM 1037 NE2 GLN A 66 -2.377 -7.161 13.874 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.718 -5.076 10.071 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.335 -2.765 11.677 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.208 -4.981 11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.793 -4.009 13.242 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.190 -4.878 12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.283 -6.131 11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.904 -7.507 13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.267 -7.650 14.762 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.392 -2.712 10.257 1.00 0.00 N ATOM 1047 CA GLY A 67 0.755 -1.794 10.003 1.00 0.00 C ATOM 1048 C GLY A 67 1.701 -1.811 11.206 1.00 0.00 C ATOM 1049 O GLY A 67 2.186 -0.784 11.641 1.00 0.00 O ATOM 0 H GLY A 67 -0.364 -3.593 9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.288 -2.102 9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.392 -0.781 9.827 1.00 0.00 H new ATOM 1053 N ILE A 68 1.967 -2.971 11.744 1.00 0.00 N ATOM 1054 CA ILE A 68 2.885 -3.062 12.921 1.00 0.00 C ATOM 1055 C ILE A 68 3.705 -4.352 12.853 1.00 0.00 C ATOM 1056 O ILE A 68 3.342 -5.294 12.177 1.00 0.00 O ATOM 1057 CB ILE A 68 1.981 -3.069 14.159 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.695 -3.850 13.868 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.629 -1.629 14.537 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.208 -4.528 15.149 1.00 0.00 C ATOM 0 H ILE A 68 1.589 -3.861 11.420 1.00 0.00 H new ATOM 0 HA ILE A 68 3.590 -2.231 12.946 1.00 0.00 H new ATOM 0 HB ILE A 68 2.508 -3.548 14.984 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.073 -3.177 13.486 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.878 -4.597 13.096 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.986 -1.631 15.417 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.543 -1.077 14.756 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.107 -1.152 13.707 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.707 -5.083 14.942 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.974 -5.213 15.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.009 -3.771 15.908 1.00 0.00 H new ATOM 1072 N LEU A 69 4.808 -4.398 13.550 1.00 0.00 N ATOM 1073 CA LEU A 69 5.655 -5.625 13.529 1.00 0.00 C ATOM 1074 C LEU A 69 5.126 -6.645 14.540 1.00 0.00 C ATOM 1075 O LEU A 69 5.712 -6.863 15.584 1.00 0.00 O ATOM 1076 CB LEU A 69 7.056 -5.147 13.923 1.00 0.00 C ATOM 1077 CG LEU A 69 7.949 -5.087 12.680 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.328 -4.550 13.068 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.100 -6.489 12.088 1.00 0.00 C ATOM 0 H LEU A 69 5.159 -3.639 14.133 1.00 0.00 H new ATOM 0 HA LEU A 69 5.654 -6.115 12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.998 -4.163 14.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.488 -5.824 14.661 1.00 0.00 H new ATOM 0 HG LEU A 69 7.494 -4.428 11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.964 -4.507 12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.224 -3.550 13.489 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.780 -5.210 13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.736 -6.444 11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.553 -7.149 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.119 -6.874 11.810 1.00 0.00 H new