USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 180:sc= -0.0116 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 167:sc= 1.18 (180deg=0.984) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.5 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= -0.903! USER MOD Single : A 27 THR OG1 : rot -120:sc= -1.65! USER MOD Single : A 28 CYS SG : rot 180:sc= -0.869 USER MOD Single : A 31 SER OG : rot 47:sc= 0.355 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 14:sc= -0.139 USER MOD Single : A 36 GLN : amide:sc= -0.0494 K(o=-0.049,f=-1.6!) USER MOD Single : A 37 SER OG : rot 26:sc= -6.54! USER MOD Single : A 39 THR OG1 : rot -45:sc= 0.93 USER MOD Single : A 45 SER OG : rot 52:sc= 0.703 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 108:sc= 1.02 USER MOD Single : A 52 TYR OH : rot 110:sc= 1.3 USER MOD Single : A 57 CYS SG : rot 166:sc= -0.788 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.318 F(o=-1,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 -3.565 10.758 8.937 1.00 0.00 N ATOM 56 CA TRP A 5 -2.530 9.682 8.958 1.00 0.00 C ATOM 57 C TRP A 5 -2.252 9.243 10.399 1.00 0.00 C ATOM 58 O TRP A 5 -2.613 9.915 11.343 1.00 0.00 O ATOM 59 CB TRP A 5 -1.285 10.319 8.343 1.00 0.00 C ATOM 60 CG TRP A 5 -1.264 10.046 6.874 1.00 0.00 C ATOM 61 CD1 TRP A 5 -1.702 10.899 5.920 1.00 0.00 C ATOM 62 CD2 TRP A 5 -0.793 8.857 6.178 1.00 0.00 C ATOM 63 NE1 TRP A 5 -1.528 10.308 4.681 1.00 0.00 N ATOM 64 CE2 TRP A 5 -0.972 9.050 4.787 1.00 0.00 C ATOM 65 CE3 TRP A 5 -0.234 7.644 6.613 1.00 0.00 C ATOM 66 CZ2 TRP A 5 -0.608 8.071 3.862 1.00 0.00 C ATOM 67 CZ3 TRP A 5 0.134 6.657 5.685 1.00 0.00 C ATOM 68 CH2 TRP A 5 -0.053 6.870 4.312 1.00 0.00 C ATOM 0 HA TRP A 5 -2.846 8.794 8.411 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.285 11.394 8.525 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -0.387 9.916 8.812 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.119 11.880 6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -1.780 10.749 3.797 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.086 7.469 7.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.754 8.240 2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.564 5.728 6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.232 6.107 3.603 1.00 0.00 H new ATOM 79 N LEU A 6 -1.612 8.116 10.570 1.00 0.00 N ATOM 80 CA LEU A 6 -1.310 7.627 11.948 1.00 0.00 C ATOM 81 C LEU A 6 0.152 7.182 12.042 1.00 0.00 C ATOM 82 O LEU A 6 0.795 6.920 11.045 1.00 0.00 O ATOM 83 CB LEU A 6 -2.245 6.435 12.169 1.00 0.00 C ATOM 84 CG LEU A 6 -3.700 6.874 11.988 1.00 0.00 C ATOM 85 CD1 LEU A 6 -4.600 5.640 11.924 1.00 0.00 C ATOM 86 CD2 LEU A 6 -4.122 7.748 13.172 1.00 0.00 C ATOM 0 H LEU A 6 -1.285 7.513 9.815 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.458 8.403 12.699 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.006 5.639 11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.100 6.029 13.170 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.794 7.443 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.636 5.952 11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.302 5.015 11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.505 5.072 12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.158 8.060 13.043 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.027 7.178 14.097 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.481 8.628 13.221 1.00 0.00 H new ATOM 98 N ASP A 7 0.681 7.096 13.232 1.00 0.00 N ATOM 99 CA ASP A 7 2.103 6.668 13.391 1.00 0.00 C ATOM 100 C ASP A 7 2.279 5.224 12.910 1.00 0.00 C ATOM 101 O ASP A 7 1.325 4.549 12.576 1.00 0.00 O ATOM 102 CB ASP A 7 2.387 6.773 14.889 1.00 0.00 C ATOM 103 CG ASP A 7 2.261 8.232 15.332 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.926 9.068 14.745 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.501 8.488 16.252 1.00 0.00 O ATOM 0 H ASP A 7 0.191 7.303 14.102 1.00 0.00 H new ATOM 0 HA ASP A 7 2.785 7.283 12.805 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.687 6.151 15.447 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.388 6.401 15.107 1.00 0.00 H new ATOM 110 N CYS A 8 3.495 4.747 12.878 1.00 0.00 N ATOM 111 CA CYS A 8 3.745 3.350 12.423 1.00 0.00 C ATOM 112 C CYS A 8 4.987 2.787 13.127 1.00 0.00 C ATOM 113 O CYS A 8 6.084 2.876 12.613 1.00 0.00 O ATOM 114 CB CYS A 8 3.985 3.462 10.918 1.00 0.00 C ATOM 115 SG CYS A 8 4.188 1.806 10.212 1.00 0.00 S ATOM 0 H CYS A 8 4.329 5.268 13.149 1.00 0.00 H new ATOM 0 HA CYS A 8 2.915 2.681 12.652 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.147 3.971 10.442 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.874 4.063 10.725 1.00 0.00 H new ATOM 0 HG CYS A 8 4.390 1.902 8.931 1.00 0.00 H new ATOM 121 N PRO A 9 4.769 2.226 14.288 1.00 0.00 N ATOM 122 CA PRO A 9 5.886 1.645 15.078 1.00 0.00 C ATOM 123 C PRO A 9 6.391 0.343 14.458 1.00 0.00 C ATOM 124 O PRO A 9 7.366 -0.226 14.909 1.00 0.00 O ATOM 125 CB PRO A 9 5.260 1.364 16.436 1.00 0.00 C ATOM 126 CG PRO A 9 3.796 1.223 16.170 1.00 0.00 C ATOM 127 CD PRO A 9 3.479 2.080 14.973 1.00 0.00 C ATOM 0 HA PRO A 9 6.746 2.313 15.124 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.669 0.456 16.878 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.457 2.176 17.136 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.538 0.182 15.977 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.215 1.540 17.036 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.737 1.608 14.329 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.074 3.047 15.271 1.00 0.00 H new ATOM 135 N ALA A 10 5.735 -0.146 13.444 1.00 0.00 N ATOM 136 CA ALA A 10 6.186 -1.422 12.825 1.00 0.00 C ATOM 137 C ALA A 10 7.593 -1.278 12.234 1.00 0.00 C ATOM 138 O ALA A 10 8.230 -2.255 11.892 1.00 0.00 O ATOM 139 CB ALA A 10 5.172 -1.713 11.718 1.00 0.00 C ATOM 0 H ALA A 10 4.911 0.280 13.019 1.00 0.00 H new ATOM 0 HA ALA A 10 6.237 -2.227 13.558 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.439 -2.642 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.177 -1.809 12.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.176 -0.896 10.997 1.00 0.00 H new ATOM 145 N LEU A 11 8.084 -0.073 12.100 1.00 0.00 N ATOM 146 CA LEU A 11 9.447 0.111 11.522 1.00 0.00 C ATOM 147 C LEU A 11 10.285 1.048 12.397 1.00 0.00 C ATOM 148 O LEU A 11 11.265 0.641 12.990 1.00 0.00 O ATOM 149 CB LEU A 11 9.206 0.728 10.146 1.00 0.00 C ATOM 150 CG LEU A 11 8.635 -0.337 9.201 1.00 0.00 C ATOM 151 CD1 LEU A 11 7.255 0.101 8.706 1.00 0.00 C ATOM 152 CD2 LEU A 11 9.571 -0.512 8.003 1.00 0.00 C ATOM 0 H LEU A 11 7.603 0.787 12.364 1.00 0.00 H new ATOM 0 HA LEU A 11 9.998 -0.827 11.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.514 1.566 10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.139 1.123 9.744 1.00 0.00 H new ATOM 0 HG LEU A 11 8.546 -1.282 9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.852 -0.657 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.586 0.225 9.557 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.343 1.048 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.165 -1.269 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.661 0.435 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.554 -0.827 8.352 1.00 0.00 H new ATOM 164 N GLY A 12 9.914 2.299 12.481 1.00 0.00 N ATOM 165 CA GLY A 12 10.700 3.252 13.319 1.00 0.00 C ATOM 166 C GLY A 12 10.076 4.649 13.245 1.00 0.00 C ATOM 167 O GLY A 12 8.960 4.806 12.786 1.00 0.00 O ATOM 0 H GLY A 12 9.104 2.700 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.721 2.908 14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.733 3.287 12.973 1.00 0.00 H new ATOM 171 N PRO A 13 10.818 5.625 13.707 1.00 0.00 N ATOM 172 CA PRO A 13 10.328 7.025 13.698 1.00 0.00 C ATOM 173 C PRO A 13 10.362 7.605 12.280 1.00 0.00 C ATOM 174 O PRO A 13 11.409 7.926 11.754 1.00 0.00 O ATOM 175 CB PRO A 13 11.314 7.757 14.604 1.00 0.00 C ATOM 176 CG PRO A 13 12.568 6.944 14.554 1.00 0.00 C ATOM 177 CD PRO A 13 12.169 5.518 14.276 1.00 0.00 C ATOM 0 HA PRO A 13 9.295 7.114 14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.490 8.774 14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.933 7.831 15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.235 7.315 13.776 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.109 7.014 15.498 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.858 5.041 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.171 4.919 15.187 1.00 0.00 H new ATOM 185 N GLY A 14 9.219 7.741 11.665 1.00 0.00 N ATOM 186 CA GLY A 14 9.168 8.299 10.285 1.00 0.00 C ATOM 187 C GLY A 14 8.037 7.620 9.512 1.00 0.00 C ATOM 188 O GLY A 14 7.374 8.229 8.696 1.00 0.00 O ATOM 0 H GLY A 14 8.314 7.488 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.005 9.376 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.120 8.137 9.779 1.00 0.00 H new ATOM 192 N TRP A 15 7.832 6.352 9.749 1.00 0.00 N ATOM 193 CA TRP A 15 6.764 5.611 9.015 1.00 0.00 C ATOM 194 C TRP A 15 5.373 6.086 9.440 1.00 0.00 C ATOM 195 O TRP A 15 5.131 6.399 10.589 1.00 0.00 O ATOM 196 CB TRP A 15 6.969 4.144 9.395 1.00 0.00 C ATOM 197 CG TRP A 15 8.040 3.554 8.538 1.00 0.00 C ATOM 198 CD1 TRP A 15 9.342 3.436 8.891 1.00 0.00 C ATOM 199 CD2 TRP A 15 7.929 3.002 7.195 1.00 0.00 C ATOM 200 NE1 TRP A 15 10.034 2.845 7.849 1.00 0.00 N ATOM 201 CE2 TRP A 15 9.208 2.559 6.783 1.00 0.00 C ATOM 202 CE3 TRP A 15 6.853 2.843 6.304 1.00 0.00 C ATOM 203 CZ2 TRP A 15 9.413 1.979 5.532 1.00 0.00 C ATOM 204 CZ3 TRP A 15 7.056 2.260 5.042 1.00 0.00 C ATOM 205 CH2 TRP A 15 8.334 1.830 4.659 1.00 0.00 C ATOM 0 H TRP A 15 8.360 5.795 10.421 1.00 0.00 H new ATOM 0 HA TRP A 15 6.827 5.772 7.939 1.00 0.00 H new ATOM 0 HB2 TRP A 15 7.245 4.065 10.447 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.039 3.590 9.266 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.770 3.751 9.831 1.00 0.00 H new ATOM 0 HE1 TRP A 15 11.034 2.645 7.867 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.865 3.171 6.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 10.399 1.648 5.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.224 2.143 4.364 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.484 1.383 3.687 1.00 0.00 H new ATOM 216 N LYS A 16 4.454 6.125 8.512 1.00 0.00 N ATOM 217 CA LYS A 16 3.067 6.563 8.839 1.00 0.00 C ATOM 218 C LYS A 16 2.065 5.578 8.229 1.00 0.00 C ATOM 219 O LYS A 16 2.323 4.976 7.205 1.00 0.00 O ATOM 220 CB LYS A 16 2.923 7.945 8.202 1.00 0.00 C ATOM 221 CG LYS A 16 3.125 9.024 9.267 1.00 0.00 C ATOM 222 CD LYS A 16 4.597 9.442 9.299 1.00 0.00 C ATOM 223 CE LYS A 16 4.705 10.893 9.771 1.00 0.00 C ATOM 224 NZ LYS A 16 6.159 11.114 10.007 1.00 0.00 N ATOM 0 H LYS A 16 4.606 5.871 7.536 1.00 0.00 H new ATOM 0 HA LYS A 16 2.878 6.597 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.655 8.067 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.937 8.047 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.496 9.887 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.822 8.647 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.157 8.788 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.038 9.337 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.318 11.582 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.128 11.056 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.313 12.089 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.498 10.449 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.682 10.959 9.122 1.00 0.00 H new ATOM 238 N ARG A 17 0.929 5.402 8.849 1.00 0.00 N ATOM 239 CA ARG A 17 -0.076 4.446 8.301 1.00 0.00 C ATOM 240 C ARG A 17 -1.467 5.085 8.254 1.00 0.00 C ATOM 241 O ARG A 17 -1.887 5.763 9.171 1.00 0.00 O ATOM 242 CB ARG A 17 -0.060 3.259 9.269 1.00 0.00 C ATOM 243 CG ARG A 17 -1.251 2.337 8.973 1.00 0.00 C ATOM 244 CD ARG A 17 -1.099 1.022 9.741 1.00 0.00 C ATOM 245 NE ARG A 17 -0.994 1.419 11.173 1.00 0.00 N ATOM 246 CZ ARG A 17 -1.995 1.210 11.983 1.00 0.00 C ATOM 247 NH1 ARG A 17 -3.190 1.627 11.664 1.00 0.00 N ATOM 248 NH2 ARG A 17 -1.802 0.584 13.111 1.00 0.00 N ATOM 0 H ARG A 17 0.654 5.877 9.709 1.00 0.00 H new ATOM 0 HA ARG A 17 0.160 4.147 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.874 2.707 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.110 3.615 10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.181 2.828 9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.310 2.138 7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.955 0.367 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.213 0.476 9.417 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.139 1.854 11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.341 2.116 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.973 1.464 12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.868 0.258 13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.585 0.421 13.744 1.00 0.00 H new ATOM 262 N ARG A 18 -2.187 4.850 7.192 1.00 0.00 N ATOM 263 CA ARG A 18 -3.561 5.411 7.065 1.00 0.00 C ATOM 264 C ARG A 18 -4.491 4.334 6.498 1.00 0.00 C ATOM 265 O ARG A 18 -4.112 3.576 5.626 1.00 0.00 O ATOM 266 CB ARG A 18 -3.425 6.590 6.095 1.00 0.00 C ATOM 267 CG ARG A 18 -4.813 7.123 5.720 1.00 0.00 C ATOM 268 CD ARG A 18 -5.518 7.661 6.966 1.00 0.00 C ATOM 269 NE ARG A 18 -6.929 7.200 6.836 1.00 0.00 N ATOM 270 CZ ARG A 18 -7.697 7.136 7.889 1.00 0.00 C ATOM 271 NH1 ARG A 18 -7.246 6.612 8.998 1.00 0.00 N ATOM 272 NH2 ARG A 18 -8.917 7.594 7.835 1.00 0.00 N ATOM 0 H ARG A 18 -1.879 4.288 6.399 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.981 5.733 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.834 7.383 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.893 6.274 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.720 7.913 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.408 6.328 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.059 7.277 7.877 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.460 8.748 7.014 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.295 6.934 5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.292 6.252 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.848 6.563 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.271 8.002 6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.517 7.544 8.658 1.00 0.00 H new ATOM 286 N GLU A 19 -5.696 4.251 6.991 1.00 0.00 N ATOM 287 CA GLU A 19 -6.636 3.212 6.480 1.00 0.00 C ATOM 288 C GLU A 19 -7.604 3.819 5.463 1.00 0.00 C ATOM 289 O GLU A 19 -8.014 4.957 5.583 1.00 0.00 O ATOM 290 CB GLU A 19 -7.392 2.718 7.717 1.00 0.00 C ATOM 291 CG GLU A 19 -6.950 1.292 8.054 1.00 0.00 C ATOM 292 CD GLU A 19 -7.604 0.852 9.364 1.00 0.00 C ATOM 293 OE1 GLU A 19 -8.817 0.713 9.379 1.00 0.00 O ATOM 294 OE2 GLU A 19 -6.884 0.661 10.329 1.00 0.00 O ATOM 0 H GLU A 19 -6.070 4.855 7.723 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.115 2.402 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.198 3.379 8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.466 2.743 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.231 0.613 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.865 1.248 8.144 1.00 0.00 H new ATOM 301 N VAL A 20 -7.967 3.065 4.462 1.00 0.00 N ATOM 302 CA VAL A 20 -8.906 3.588 3.427 1.00 0.00 C ATOM 303 C VAL A 20 -10.095 2.635 3.272 1.00 0.00 C ATOM 304 O VAL A 20 -9.987 1.597 2.651 1.00 0.00 O ATOM 305 CB VAL A 20 -8.096 3.637 2.129 1.00 0.00 C ATOM 306 CG1 VAL A 20 -8.886 4.402 1.066 1.00 0.00 C ATOM 307 CG2 VAL A 20 -6.761 4.346 2.375 1.00 0.00 C ATOM 0 H VAL A 20 -7.653 2.106 4.315 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.304 4.567 3.693 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.906 2.620 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.311 4.438 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.835 3.897 0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.076 5.417 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.189 4.377 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.947 5.363 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.195 3.803 3.132 1.00 0.00 H new ATOM 317 N PHE A 21 -11.227 2.975 3.828 1.00 0.00 N ATOM 318 CA PHE A 21 -12.417 2.078 3.707 1.00 0.00 C ATOM 319 C PHE A 21 -13.115 2.298 2.360 1.00 0.00 C ATOM 320 O PHE A 21 -14.309 2.522 2.300 1.00 0.00 O ATOM 321 CB PHE A 21 -13.334 2.478 4.867 1.00 0.00 C ATOM 322 CG PHE A 21 -13.576 1.283 5.758 1.00 0.00 C ATOM 323 CD1 PHE A 21 -14.227 0.152 5.251 1.00 0.00 C ATOM 324 CD2 PHE A 21 -13.148 1.306 7.091 1.00 0.00 C ATOM 325 CE1 PHE A 21 -14.449 -0.956 6.078 1.00 0.00 C ATOM 326 CE2 PHE A 21 -13.371 0.198 7.917 1.00 0.00 C ATOM 327 CZ PHE A 21 -14.021 -0.934 7.409 1.00 0.00 C ATOM 0 H PHE A 21 -11.381 3.832 4.359 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.146 1.023 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -12.880 3.286 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.281 2.854 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -14.558 0.134 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.646 2.179 7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.951 -1.829 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.042 0.216 8.946 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.192 -1.790 8.045 1.00 0.00 H new ATOM 337 N ARG A 22 -12.378 2.223 1.279 1.00 0.00 N ATOM 338 CA ARG A 22 -12.979 2.418 -0.077 1.00 0.00 C ATOM 339 C ARG A 22 -13.874 3.662 -0.118 1.00 0.00 C ATOM 340 O ARG A 22 -14.027 4.373 0.856 1.00 0.00 O ATOM 341 CB ARG A 22 -13.813 1.164 -0.316 1.00 0.00 C ATOM 342 CG ARG A 22 -12.983 0.148 -1.099 1.00 0.00 C ATOM 343 CD ARG A 22 -12.920 0.557 -2.573 1.00 0.00 C ATOM 344 NE ARG A 22 -11.473 0.541 -2.915 1.00 0.00 N ATOM 345 CZ ARG A 22 -10.825 -0.588 -3.008 1.00 0.00 C ATOM 346 NH1 ARG A 22 -10.243 -1.100 -1.957 1.00 0.00 N ATOM 347 NH2 ARG A 22 -10.750 -1.202 -4.156 1.00 0.00 N ATOM 0 H ARG A 22 -11.376 2.033 1.278 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.212 2.567 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.129 0.737 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.718 1.415 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.976 0.090 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.424 -0.845 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.481 -0.136 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.351 1.546 -2.727 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.982 1.420 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.294 -0.617 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.737 -1.983 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.197 -0.800 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.244 -2.084 -4.230 1.00 0.00 H new ATOM 361 N LYS A 23 -14.465 3.920 -1.249 1.00 0.00 N ATOM 362 CA LYS A 23 -15.359 5.100 -1.388 1.00 0.00 C ATOM 363 C LYS A 23 -16.617 4.705 -2.167 1.00 0.00 C ATOM 364 O LYS A 23 -17.711 5.117 -1.838 1.00 0.00 O ATOM 365 CB LYS A 23 -14.537 6.124 -2.171 1.00 0.00 C ATOM 366 CG LYS A 23 -15.375 7.379 -2.441 1.00 0.00 C ATOM 367 CD LYS A 23 -15.685 7.483 -3.940 1.00 0.00 C ATOM 368 CE LYS A 23 -14.378 7.524 -4.738 1.00 0.00 C ATOM 369 NZ LYS A 23 -14.747 8.128 -6.047 1.00 0.00 N ATOM 0 H LYS A 23 -14.365 3.356 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.688 5.496 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.642 6.389 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.204 5.690 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.303 7.338 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.836 8.266 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.288 6.632 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.271 8.380 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.622 8.120 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.963 6.525 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.903 8.190 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.463 7.535 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.133 9.081 -5.893 1.00 0.00 H new ATOM 383 N SER A 24 -16.467 3.896 -3.196 1.00 0.00 N ATOM 384 CA SER A 24 -17.654 3.457 -4.007 1.00 0.00 C ATOM 385 C SER A 24 -17.202 2.836 -5.335 1.00 0.00 C ATOM 386 O SER A 24 -16.025 2.732 -5.618 1.00 0.00 O ATOM 387 CB SER A 24 -18.489 4.723 -4.265 1.00 0.00 C ATOM 388 OG SER A 24 -18.957 4.733 -5.609 1.00 0.00 O ATOM 0 H SER A 24 -15.572 3.521 -3.509 1.00 0.00 H new ATOM 0 HA SER A 24 -18.232 2.698 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.334 4.758 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.886 5.611 -4.075 1.00 0.00 H new ATOM 0 HG SER A 24 -19.489 5.541 -5.764 1.00 0.00 H new ATOM 394 N GLY A 25 -18.141 2.429 -6.150 1.00 0.00 N ATOM 395 CA GLY A 25 -17.789 1.819 -7.465 1.00 0.00 C ATOM 396 C GLY A 25 -18.156 0.333 -7.459 1.00 0.00 C ATOM 397 O GLY A 25 -19.281 -0.045 -7.722 1.00 0.00 O ATOM 0 H GLY A 25 -19.141 2.494 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.319 2.331 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.723 1.940 -7.659 1.00 0.00 H new ATOM 401 N ALA A 26 -17.207 -0.504 -7.156 1.00 0.00 N ATOM 402 CA ALA A 26 -17.463 -1.973 -7.122 1.00 0.00 C ATOM 403 C ALA A 26 -16.713 -2.579 -5.937 1.00 0.00 C ATOM 404 O ALA A 26 -17.232 -3.389 -5.194 1.00 0.00 O ATOM 405 CB ALA A 26 -16.893 -2.497 -8.441 1.00 0.00 C ATOM 0 H ALA A 26 -16.251 -0.232 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.518 -2.223 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.040 -3.576 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.405 -2.016 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.827 -2.273 -8.491 1.00 0.00 H new ATOM 411 N THR A 27 -15.492 -2.162 -5.759 1.00 0.00 N ATOM 412 CA THR A 27 -14.664 -2.660 -4.628 1.00 0.00 C ATOM 413 C THR A 27 -15.086 -1.966 -3.325 1.00 0.00 C ATOM 414 O THR A 27 -14.538 -2.224 -2.272 1.00 0.00 O ATOM 415 CB THR A 27 -13.233 -2.260 -5.008 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.170 -0.850 -5.187 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.833 -2.961 -6.311 1.00 0.00 C ATOM 0 H THR A 27 -15.025 -1.484 -6.361 1.00 0.00 H new ATOM 0 HA THR A 27 -14.768 -3.733 -4.465 1.00 0.00 H new ATOM 0 HB THR A 27 -12.548 -2.558 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.885 -0.649 -6.103 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.816 -2.676 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.883 -4.041 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.516 -2.665 -7.108 1.00 0.00 H new ATOM 425 N CYS A 28 -16.048 -1.075 -3.396 1.00 0.00 N ATOM 426 CA CYS A 28 -16.509 -0.341 -2.177 1.00 0.00 C ATOM 427 C CYS A 28 -16.677 -1.285 -0.983 1.00 0.00 C ATOM 428 O CYS A 28 -17.137 -2.402 -1.118 1.00 0.00 O ATOM 429 CB CYS A 28 -17.861 0.257 -2.570 1.00 0.00 C ATOM 430 SG CYS A 28 -18.469 1.310 -1.227 1.00 0.00 S ATOM 0 H CYS A 28 -16.537 -0.824 -4.255 1.00 0.00 H new ATOM 0 HA CYS A 28 -15.786 0.414 -1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.761 0.839 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.577 -0.539 -2.775 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.617 1.820 -1.561 1.00 0.00 H new ATOM 436 N GLY A 29 -16.311 -0.835 0.187 1.00 0.00 N ATOM 437 CA GLY A 29 -16.452 -1.694 1.399 1.00 0.00 C ATOM 438 C GLY A 29 -15.104 -2.327 1.758 1.00 0.00 C ATOM 439 O GLY A 29 -14.920 -2.834 2.847 1.00 0.00 O ATOM 0 H GLY A 29 -15.920 0.092 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.817 -1.098 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.191 -2.474 1.217 1.00 0.00 H new ATOM 443 N ARG A 30 -14.162 -2.302 0.855 1.00 0.00 N ATOM 444 CA ARG A 30 -12.827 -2.903 1.147 1.00 0.00 C ATOM 445 C ARG A 30 -11.959 -1.899 1.911 1.00 0.00 C ATOM 446 O ARG A 30 -11.922 -0.726 1.590 1.00 0.00 O ATOM 447 CB ARG A 30 -12.221 -3.213 -0.224 1.00 0.00 C ATOM 448 CG ARG A 30 -12.514 -4.668 -0.605 1.00 0.00 C ATOM 449 CD ARG A 30 -14.027 -4.902 -0.639 1.00 0.00 C ATOM 450 NE ARG A 30 -14.231 -5.951 -1.676 1.00 0.00 N ATOM 451 CZ ARG A 30 -15.213 -5.844 -2.528 1.00 0.00 C ATOM 452 NH1 ARG A 30 -16.430 -5.637 -2.102 1.00 0.00 N ATOM 453 NH2 ARG A 30 -14.979 -5.943 -3.808 1.00 0.00 N ATOM 0 H ARG A 30 -14.258 -1.891 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.899 -3.797 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.635 -2.540 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.145 -3.043 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.080 -4.893 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.049 -5.342 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.398 -5.230 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.562 -3.987 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.603 -6.753 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.614 -5.559 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.197 -5.554 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.029 -6.104 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.746 -5.859 -4.475 1.00 0.00 H new ATOM 467 N SER A 31 -11.265 -2.349 2.921 1.00 0.00 N ATOM 468 CA SER A 31 -10.403 -1.419 3.709 1.00 0.00 C ATOM 469 C SER A 31 -8.942 -1.543 3.274 1.00 0.00 C ATOM 470 O SER A 31 -8.251 -2.477 3.636 1.00 0.00 O ATOM 471 CB SER A 31 -10.570 -1.864 5.161 1.00 0.00 C ATOM 472 OG SER A 31 -10.458 -3.279 5.235 1.00 0.00 O ATOM 0 H SER A 31 -11.257 -3.319 3.235 1.00 0.00 H new ATOM 0 HA SER A 31 -10.684 -0.376 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.811 -1.395 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.540 -1.544 5.542 1.00 0.00 H new ATOM 0 HG SER A 31 -9.673 -3.572 4.726 1.00 0.00 H new ATOM 478 N ASP A 32 -8.467 -0.602 2.504 1.00 0.00 N ATOM 479 CA ASP A 32 -7.050 -0.649 2.045 1.00 0.00 C ATOM 480 C ASP A 32 -6.197 0.278 2.909 1.00 0.00 C ATOM 481 O ASP A 32 -6.437 1.466 2.981 1.00 0.00 O ATOM 482 CB ASP A 32 -7.081 -0.163 0.596 1.00 0.00 C ATOM 483 CG ASP A 32 -7.597 -1.285 -0.307 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.551 -1.939 0.080 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.028 -1.470 -1.370 1.00 0.00 O ATOM 0 H ASP A 32 -9.002 0.200 2.172 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.619 -1.647 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.723 0.713 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.083 0.141 0.282 1.00 0.00 H new ATOM 490 N THR A 33 -5.206 -0.255 3.568 1.00 0.00 N ATOM 491 CA THR A 33 -4.344 0.598 4.432 1.00 0.00 C ATOM 492 C THR A 33 -3.058 0.964 3.691 1.00 0.00 C ATOM 493 O THR A 33 -2.343 0.111 3.204 1.00 0.00 O ATOM 494 CB THR A 33 -4.037 -0.264 5.657 1.00 0.00 C ATOM 495 OG1 THR A 33 -5.252 -0.622 6.298 1.00 0.00 O ATOM 496 CG2 THR A 33 -3.158 0.522 6.631 1.00 0.00 C ATOM 0 H THR A 33 -4.956 -1.244 3.546 1.00 0.00 H new ATOM 0 HA THR A 33 -4.828 1.535 4.708 1.00 0.00 H new ATOM 0 HB THR A 33 -3.511 -1.166 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.057 -1.176 7.083 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.940 -0.094 7.503 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.225 0.796 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.681 1.425 6.946 1.00 0.00 H new ATOM 504 N TYR A 34 -2.766 2.232 3.602 1.00 0.00 N ATOM 505 CA TYR A 34 -1.532 2.671 2.894 1.00 0.00 C ATOM 506 C TYR A 34 -0.496 3.150 3.915 1.00 0.00 C ATOM 507 O TYR A 34 -0.835 3.515 5.024 1.00 0.00 O ATOM 508 CB TYR A 34 -1.991 3.812 1.990 1.00 0.00 C ATOM 509 CG TYR A 34 -2.902 3.255 0.922 1.00 0.00 C ATOM 510 CD1 TYR A 34 -4.225 2.904 1.230 1.00 0.00 C ATOM 511 CD2 TYR A 34 -2.418 3.081 -0.380 1.00 0.00 C ATOM 512 CE1 TYR A 34 -5.058 2.382 0.235 1.00 0.00 C ATOM 513 CE2 TYR A 34 -3.253 2.561 -1.373 1.00 0.00 C ATOM 514 CZ TYR A 34 -4.572 2.210 -1.066 1.00 0.00 C ATOM 515 OH TYR A 34 -5.396 1.694 -2.046 1.00 0.00 O ATOM 0 H TYR A 34 -3.332 2.986 3.991 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.060 1.873 2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.514 4.569 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.130 4.301 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.600 3.037 2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.399 3.349 -0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.077 2.112 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.880 2.430 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.904 1.640 -2.892 1.00 0.00 H new ATOM 525 N TYR A 35 0.762 3.137 3.563 1.00 0.00 N ATOM 526 CA TYR A 35 1.809 3.577 4.535 1.00 0.00 C ATOM 527 C TYR A 35 2.876 4.420 3.833 1.00 0.00 C ATOM 528 O TYR A 35 3.030 4.367 2.630 1.00 0.00 O ATOM 529 CB TYR A 35 2.442 2.288 5.082 1.00 0.00 C ATOM 530 CG TYR A 35 1.412 1.183 5.163 1.00 0.00 C ATOM 531 CD1 TYR A 35 1.094 0.439 4.020 1.00 0.00 C ATOM 532 CD2 TYR A 35 0.780 0.901 6.380 1.00 0.00 C ATOM 533 CE1 TYR A 35 0.143 -0.585 4.094 1.00 0.00 C ATOM 534 CE2 TYR A 35 -0.169 -0.124 6.454 1.00 0.00 C ATOM 535 CZ TYR A 35 -0.487 -0.867 5.310 1.00 0.00 C ATOM 536 OH TYR A 35 -1.424 -1.878 5.382 1.00 0.00 O ATOM 0 H TYR A 35 1.110 2.843 2.650 1.00 0.00 H new ATOM 0 HA TYR A 35 1.379 4.190 5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.265 1.979 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.863 2.474 6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.583 0.655 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.025 1.475 7.262 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.104 -1.157 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.656 -0.342 7.393 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.367 -2.434 4.577 1.00 0.00 H new ATOM 546 N GLN A 36 3.619 5.188 4.582 1.00 0.00 N ATOM 547 CA GLN A 36 4.686 6.027 3.966 1.00 0.00 C ATOM 548 C GLN A 36 6.034 5.722 4.626 1.00 0.00 C ATOM 549 O GLN A 36 6.108 5.459 5.811 1.00 0.00 O ATOM 550 CB GLN A 36 4.272 7.475 4.236 1.00 0.00 C ATOM 551 CG GLN A 36 5.190 8.425 3.459 1.00 0.00 C ATOM 552 CD GLN A 36 4.581 9.829 3.448 1.00 0.00 C ATOM 553 OE1 GLN A 36 3.376 9.980 3.449 1.00 0.00 O ATOM 554 NE2 GLN A 36 5.370 10.868 3.436 1.00 0.00 N ATOM 0 H GLN A 36 3.533 5.271 5.595 1.00 0.00 H new ATOM 0 HA GLN A 36 4.797 5.834 2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.235 7.629 3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.331 7.688 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.178 8.449 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.322 8.066 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.382 10.740 3.435 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.975 11.808 3.427 1.00 0.00 H new ATOM 563 N SER A 37 7.096 5.764 3.867 1.00 0.00 N ATOM 564 CA SER A 37 8.453 5.487 4.435 1.00 0.00 C ATOM 565 C SER A 37 8.696 6.357 5.671 1.00 0.00 C ATOM 566 O SER A 37 7.853 7.154 6.034 1.00 0.00 O ATOM 567 CB SER A 37 9.413 5.881 3.322 1.00 0.00 C ATOM 568 OG SER A 37 8.971 7.098 2.742 1.00 0.00 O ATOM 0 H SER A 37 7.084 5.980 2.870 1.00 0.00 H new ATOM 0 HA SER A 37 8.573 4.449 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.422 5.997 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.456 5.097 2.566 1.00 0.00 H new ATOM 0 HG SER A 37 8.449 7.603 3.400 1.00 0.00 H new ATOM 574 N PRO A 38 9.839 6.188 6.291 1.00 0.00 N ATOM 575 CA PRO A 38 10.147 6.982 7.486 1.00 0.00 C ATOM 576 C PRO A 38 10.720 8.350 7.117 1.00 0.00 C ATOM 577 O PRO A 38 11.021 9.145 7.984 1.00 0.00 O ATOM 578 CB PRO A 38 11.177 6.140 8.224 1.00 0.00 C ATOM 579 CG PRO A 38 11.829 5.291 7.179 1.00 0.00 C ATOM 580 CD PRO A 38 10.933 5.267 5.958 1.00 0.00 C ATOM 0 HA PRO A 38 9.262 7.192 8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.909 6.770 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.704 5.525 8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.810 5.691 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.986 4.280 7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.468 5.592 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.560 4.262 5.758 1.00 0.00 H new ATOM 588 N THR A 39 10.885 8.647 5.849 1.00 0.00 N ATOM 589 CA THR A 39 11.450 9.986 5.503 1.00 0.00 C ATOM 590 C THR A 39 11.306 10.338 4.010 1.00 0.00 C ATOM 591 O THR A 39 11.983 11.224 3.523 1.00 0.00 O ATOM 592 CB THR A 39 12.923 9.887 5.903 1.00 0.00 C ATOM 593 OG1 THR A 39 13.557 11.140 5.685 1.00 0.00 O ATOM 594 CG2 THR A 39 13.615 8.808 5.067 1.00 0.00 C ATOM 0 H THR A 39 10.660 8.039 5.061 1.00 0.00 H new ATOM 0 HA THR A 39 10.916 10.783 6.021 1.00 0.00 H new ATOM 0 HB THR A 39 12.994 9.622 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.287 11.496 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.664 8.741 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.129 7.847 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.545 9.066 4.010 1.00 0.00 H new ATOM 602 N GLY A 40 10.424 9.697 3.280 1.00 0.00 N ATOM 603 CA GLY A 40 10.266 10.077 1.838 1.00 0.00 C ATOM 604 C GLY A 40 10.056 8.853 0.938 1.00 0.00 C ATOM 605 O GLY A 40 10.987 8.330 0.358 1.00 0.00 O ATOM 0 H GLY A 40 9.819 8.944 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.418 10.753 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.151 10.621 1.508 1.00 0.00 H new ATOM 609 N ASP A 41 8.827 8.421 0.795 1.00 0.00 N ATOM 610 CA ASP A 41 8.503 7.251 -0.089 1.00 0.00 C ATOM 611 C ASP A 41 7.051 6.823 0.143 1.00 0.00 C ATOM 612 O ASP A 41 6.594 6.741 1.265 1.00 0.00 O ATOM 613 CB ASP A 41 9.454 6.112 0.301 1.00 0.00 C ATOM 614 CG ASP A 41 10.182 5.611 -0.947 1.00 0.00 C ATOM 615 OD1 ASP A 41 10.899 6.398 -1.547 1.00 0.00 O ATOM 616 OD2 ASP A 41 10.012 4.452 -1.284 1.00 0.00 O ATOM 0 H ASP A 41 8.019 8.835 1.260 1.00 0.00 H new ATOM 0 HA ASP A 41 8.622 7.508 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.174 6.462 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.895 5.297 0.761 1.00 0.00 H new ATOM 621 N ARG A 42 6.324 6.552 -0.908 1.00 0.00 N ATOM 622 CA ARG A 42 4.901 6.134 -0.742 1.00 0.00 C ATOM 623 C ARG A 42 4.786 4.607 -0.739 1.00 0.00 C ATOM 624 O ARG A 42 4.985 3.959 -1.748 1.00 0.00 O ATOM 625 CB ARG A 42 4.172 6.724 -1.950 1.00 0.00 C ATOM 626 CG ARG A 42 4.151 8.250 -1.838 1.00 0.00 C ATOM 627 CD ARG A 42 3.072 8.676 -0.840 1.00 0.00 C ATOM 628 NE ARG A 42 1.939 9.164 -1.676 1.00 0.00 N ATOM 629 CZ ARG A 42 0.835 9.565 -1.107 1.00 0.00 C ATOM 630 NH1 ARG A 42 0.001 8.689 -0.615 1.00 0.00 N ATOM 631 NH2 ARG A 42 0.566 10.839 -1.028 1.00 0.00 N ATOM 0 H ARG A 42 6.653 6.602 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 42 4.480 6.482 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.670 6.423 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.154 6.338 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.126 8.614 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.954 8.694 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.766 7.841 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.437 9.459 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 42 2.026 9.185 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.213 7.693 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.862 9.001 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.219 11.523 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.297 11.151 -0.583 1.00 0.00 H new ATOM 645 N ILE A 43 4.459 4.029 0.387 1.00 0.00 N ATOM 646 CA ILE A 43 4.320 2.546 0.457 1.00 0.00 C ATOM 647 C ILE A 43 2.834 2.174 0.425 1.00 0.00 C ATOM 648 O ILE A 43 2.009 2.823 1.037 1.00 0.00 O ATOM 649 CB ILE A 43 4.971 2.146 1.793 1.00 0.00 C ATOM 650 CG1 ILE A 43 6.476 1.933 1.596 1.00 0.00 C ATOM 651 CG2 ILE A 43 4.356 0.842 2.311 1.00 0.00 C ATOM 652 CD1 ILE A 43 7.081 3.110 0.831 1.00 0.00 C ATOM 0 H ILE A 43 4.282 4.522 1.262 1.00 0.00 H new ATOM 0 HA ILE A 43 4.794 2.032 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 43 4.799 2.945 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.966 1.829 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.651 1.006 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.825 0.569 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.285 0.980 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.520 0.048 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.150 2.946 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.602 3.194 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.922 4.030 1.394 1.00 0.00 H new ATOM 664 N ARG A 44 2.488 1.140 -0.288 1.00 0.00 N ATOM 665 CA ARG A 44 1.057 0.733 -0.362 1.00 0.00 C ATOM 666 C ARG A 44 0.873 -0.696 0.158 1.00 0.00 C ATOM 667 O ARG A 44 -0.227 -1.212 0.191 1.00 0.00 O ATOM 668 CB ARG A 44 0.704 0.809 -1.847 1.00 0.00 C ATOM 669 CG ARG A 44 0.927 2.233 -2.357 1.00 0.00 C ATOM 670 CD ARG A 44 0.097 2.454 -3.621 1.00 0.00 C ATOM 671 NE ARG A 44 0.507 3.795 -4.121 1.00 0.00 N ATOM 672 CZ ARG A 44 -0.322 4.509 -4.831 1.00 0.00 C ATOM 673 NH1 ARG A 44 -0.469 4.266 -6.105 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.006 5.467 -4.268 1.00 0.00 N ATOM 0 H ARG A 44 3.133 0.559 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 44 0.419 1.372 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.319 0.109 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.335 0.516 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.643 2.954 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.984 2.394 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.293 1.679 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.970 2.423 -3.403 1.00 0.00 H new ATOM 0 HE ARG A 44 1.437 4.156 -3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.065 3.517 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.118 4.825 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.892 5.658 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.654 6.025 -4.823 1.00 0.00 H new ATOM 688 N SER A 45 1.937 -1.344 0.563 1.00 0.00 N ATOM 689 CA SER A 45 1.800 -2.739 1.076 1.00 0.00 C ATOM 690 C SER A 45 3.102 -3.191 1.747 1.00 0.00 C ATOM 691 O SER A 45 3.894 -2.382 2.188 1.00 0.00 O ATOM 692 CB SER A 45 1.494 -3.584 -0.162 1.00 0.00 C ATOM 693 OG SER A 45 0.116 -3.933 -0.162 1.00 0.00 O ATOM 0 H SER A 45 2.886 -0.970 0.560 1.00 0.00 H new ATOM 0 HA SER A 45 1.018 -2.831 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.740 -3.028 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.109 -4.484 -0.164 1.00 0.00 H new ATOM 0 HG SER A 45 -0.426 -3.125 -0.042 1.00 0.00 H new ATOM 699 N LYS A 46 3.327 -4.478 1.833 1.00 0.00 N ATOM 700 CA LYS A 46 4.574 -4.973 2.482 1.00 0.00 C ATOM 701 C LYS A 46 5.749 -4.883 1.506 1.00 0.00 C ATOM 702 O LYS A 46 6.830 -4.455 1.860 1.00 0.00 O ATOM 703 CB LYS A 46 4.284 -6.430 2.843 1.00 0.00 C ATOM 704 CG LYS A 46 4.888 -6.748 4.213 1.00 0.00 C ATOM 705 CD LYS A 46 4.765 -8.247 4.493 1.00 0.00 C ATOM 706 CE LYS A 46 5.998 -8.970 3.947 1.00 0.00 C ATOM 707 NZ LYS A 46 5.558 -10.379 3.745 1.00 0.00 N ATOM 0 H LYS A 46 2.702 -5.204 1.482 1.00 0.00 H new ATOM 0 HA LYS A 46 4.845 -4.384 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.208 -6.604 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.703 -7.093 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.936 -6.448 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.375 -6.180 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.673 -8.421 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.862 -8.642 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.336 -8.524 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.832 -8.913 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.350 -10.940 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.248 -10.780 4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.768 -10.402 3.069 1.00 0.00 H new ATOM 721 N VAL A 47 5.545 -5.280 0.280 1.00 0.00 N ATOM 722 CA VAL A 47 6.648 -5.216 -0.721 1.00 0.00 C ATOM 723 C VAL A 47 7.103 -3.763 -0.912 1.00 0.00 C ATOM 724 O VAL A 47 8.283 -3.477 -0.962 1.00 0.00 O ATOM 725 CB VAL A 47 6.033 -5.772 -2.004 1.00 0.00 C ATOM 726 CG1 VAL A 47 6.907 -5.419 -3.207 1.00 0.00 C ATOM 727 CG2 VAL A 47 5.915 -7.291 -1.896 1.00 0.00 C ATOM 0 H VAL A 47 4.661 -5.647 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 47 7.530 -5.779 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 47 5.045 -5.332 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.457 -5.821 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.988 -4.335 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.900 -5.848 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.476 -7.688 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.905 -7.723 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.280 -7.547 -1.048 1.00 0.00 H new ATOM 737 N GLU A 48 6.178 -2.847 -1.023 1.00 0.00 N ATOM 738 CA GLU A 48 6.560 -1.415 -1.215 1.00 0.00 C ATOM 739 C GLU A 48 7.474 -0.952 -0.076 1.00 0.00 C ATOM 740 O GLU A 48 8.486 -0.312 -0.295 1.00 0.00 O ATOM 741 CB GLU A 48 5.242 -0.636 -1.194 1.00 0.00 C ATOM 742 CG GLU A 48 5.143 0.248 -2.442 1.00 0.00 C ATOM 743 CD GLU A 48 6.266 1.291 -2.433 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.998 1.344 -1.459 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.374 2.021 -3.406 1.00 0.00 O ATOM 0 H GLU A 48 5.175 -3.027 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 48 7.106 -1.260 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.400 -1.328 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.186 -0.021 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.213 -0.366 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.173 0.745 -2.470 1.00 0.00 H new ATOM 752 N LEU A 49 7.125 -1.269 1.140 1.00 0.00 N ATOM 753 CA LEU A 49 7.973 -0.851 2.291 1.00 0.00 C ATOM 754 C LEU A 49 9.217 -1.747 2.359 1.00 0.00 C ATOM 755 O LEU A 49 10.307 -1.291 2.645 1.00 0.00 O ATOM 756 CB LEU A 49 7.057 -0.995 3.525 1.00 0.00 C ATOM 757 CG LEU A 49 7.657 -1.940 4.575 1.00 0.00 C ATOM 758 CD1 LEU A 49 7.252 -1.463 5.970 1.00 0.00 C ATOM 759 CD2 LEU A 49 7.120 -3.355 4.343 1.00 0.00 C ATOM 0 H LEU A 49 6.289 -1.799 1.386 1.00 0.00 H new ATOM 0 HA LEU A 49 8.348 0.170 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.892 -0.014 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.083 -1.371 3.212 1.00 0.00 H new ATOM 0 HG LEU A 49 8.744 -1.944 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.676 -2.131 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.626 -0.452 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.165 -1.466 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.543 -4.031 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.034 -3.351 4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.401 -3.692 3.345 1.00 0.00 H new ATOM 771 N THR A 50 9.058 -3.016 2.090 1.00 0.00 N ATOM 772 CA THR A 50 10.227 -3.942 2.130 1.00 0.00 C ATOM 773 C THR A 50 11.297 -3.483 1.134 1.00 0.00 C ATOM 774 O THR A 50 12.456 -3.344 1.476 1.00 0.00 O ATOM 775 CB THR A 50 9.661 -5.309 1.729 1.00 0.00 C ATOM 776 OG1 THR A 50 8.750 -5.750 2.727 1.00 0.00 O ATOM 777 CG2 THR A 50 10.798 -6.324 1.594 1.00 0.00 C ATOM 0 H THR A 50 8.169 -3.451 1.844 1.00 0.00 H new ATOM 0 HA THR A 50 10.702 -3.972 3.111 1.00 0.00 H new ATOM 0 HB THR A 50 9.146 -5.220 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.834 -5.688 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.389 -7.293 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.498 -5.987 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.318 -6.416 2.547 1.00 0.00 H new ATOM 785 N ARG A 51 10.920 -3.248 -0.095 1.00 0.00 N ATOM 786 CA ARG A 51 11.921 -2.800 -1.110 1.00 0.00 C ATOM 787 C ARG A 51 12.595 -1.497 -0.662 1.00 0.00 C ATOM 788 O ARG A 51 13.790 -1.333 -0.815 1.00 0.00 O ATOM 789 CB ARG A 51 11.142 -2.601 -2.416 1.00 0.00 C ATOM 790 CG ARG A 51 9.944 -1.676 -2.185 1.00 0.00 C ATOM 791 CD ARG A 51 10.287 -0.261 -2.658 1.00 0.00 C ATOM 792 NE ARG A 51 10.380 -0.362 -4.142 1.00 0.00 N ATOM 793 CZ ARG A 51 10.950 0.593 -4.826 1.00 0.00 C ATOM 794 NH1 ARG A 51 12.084 1.101 -4.424 1.00 0.00 N ATOM 795 NH2 ARG A 51 10.387 1.039 -5.916 1.00 0.00 N ATOM 0 H ARG A 51 9.965 -3.346 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 51 12.717 -3.533 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.797 -2.176 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.799 -3.564 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.074 -2.050 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.681 -1.663 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.519 0.452 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.227 0.082 -2.226 1.00 0.00 H new ATOM 0 HE ARG A 51 9.999 -1.177 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.526 0.752 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.527 1.847 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.503 0.641 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.831 1.785 -6.451 1.00 0.00 H new ATOM 809 N TYR A 52 11.855 -0.568 -0.101 1.00 0.00 N ATOM 810 CA TYR A 52 12.501 0.702 0.351 1.00 0.00 C ATOM 811 C TYR A 52 13.484 0.403 1.485 1.00 0.00 C ATOM 812 O TYR A 52 14.428 1.135 1.712 1.00 0.00 O ATOM 813 CB TYR A 52 11.369 1.610 0.847 1.00 0.00 C ATOM 814 CG TYR A 52 11.853 3.047 0.854 1.00 0.00 C ATOM 815 CD1 TYR A 52 12.495 3.573 -0.277 1.00 0.00 C ATOM 816 CD2 TYR A 52 11.668 3.855 1.987 1.00 0.00 C ATOM 817 CE1 TYR A 52 12.949 4.897 -0.277 1.00 0.00 C ATOM 818 CE2 TYR A 52 12.123 5.181 1.983 1.00 0.00 C ATOM 819 CZ TYR A 52 12.763 5.699 0.853 1.00 0.00 C ATOM 820 OH TYR A 52 13.211 7.005 0.853 1.00 0.00 O ATOM 0 H TYR A 52 10.850 -0.633 0.060 1.00 0.00 H new ATOM 0 HA TYR A 52 13.059 1.180 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.497 1.510 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.060 1.312 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 52 12.639 2.954 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.175 3.455 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.443 5.299 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.979 5.803 2.854 1.00 0.00 H new ATOM 0 HH TYR A 52 12.444 7.614 0.835 1.00 0.00 H new ATOM 830 N LEU A 53 13.272 -0.675 2.193 1.00 0.00 N ATOM 831 CA LEU A 53 14.195 -1.034 3.308 1.00 0.00 C ATOM 832 C LEU A 53 15.280 -1.995 2.810 1.00 0.00 C ATOM 833 O LEU A 53 16.096 -2.471 3.574 1.00 0.00 O ATOM 834 CB LEU A 53 13.306 -1.718 4.348 1.00 0.00 C ATOM 835 CG LEU A 53 12.223 -0.744 4.818 1.00 0.00 C ATOM 836 CD1 LEU A 53 11.050 -1.530 5.405 1.00 0.00 C ATOM 837 CD2 LEU A 53 12.802 0.185 5.888 1.00 0.00 C ATOM 0 H LEU A 53 12.498 -1.323 2.046 1.00 0.00 H new ATOM 0 HA LEU A 53 14.709 -0.164 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.847 -2.609 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.907 -2.046 5.196 1.00 0.00 H new ATOM 0 HG LEU A 53 11.875 -0.151 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.279 -0.837 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.638 -2.191 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.397 -2.123 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.031 0.879 6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.150 -0.407 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.638 0.746 5.469 1.00 0.00 H new ATOM 849 N GLY A 54 15.296 -2.283 1.532 1.00 0.00 N ATOM 850 CA GLY A 54 16.325 -3.210 0.986 1.00 0.00 C ATOM 851 C GLY A 54 15.635 -4.439 0.387 1.00 0.00 C ATOM 852 O GLY A 54 14.545 -4.793 0.791 1.00 0.00 O ATOM 0 H GLY A 54 14.638 -1.914 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.918 -2.705 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 54 17.012 -3.514 1.775 1.00 0.00 H new ATOM 856 N PRO A 55 16.296 -5.055 -0.559 1.00 0.00 N ATOM 857 CA PRO A 55 15.735 -6.261 -1.214 1.00 0.00 C ATOM 858 C PRO A 55 15.739 -7.437 -0.234 1.00 0.00 C ATOM 859 O PRO A 55 14.914 -8.326 -0.311 1.00 0.00 O ATOM 860 CB PRO A 55 16.684 -6.511 -2.383 1.00 0.00 C ATOM 861 CG PRO A 55 17.971 -5.870 -1.976 1.00 0.00 C ATOM 862 CD PRO A 55 17.614 -4.697 -1.101 1.00 0.00 C ATOM 0 HA PRO A 55 14.702 -6.139 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 55 16.814 -7.578 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 55 16.299 -6.075 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.602 -6.577 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 55 18.534 -5.543 -2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.347 -4.552 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 55 17.574 -3.769 -1.672 1.00 0.00 H new ATOM 870 N ALA A 56 16.658 -7.438 0.694 1.00 0.00 N ATOM 871 CA ALA A 56 16.715 -8.546 1.690 1.00 0.00 C ATOM 872 C ALA A 56 16.147 -8.072 3.033 1.00 0.00 C ATOM 873 O ALA A 56 16.350 -8.697 4.056 1.00 0.00 O ATOM 874 CB ALA A 56 18.202 -8.881 1.823 1.00 0.00 C ATOM 0 H ALA A 56 17.372 -6.718 0.805 1.00 0.00 H new ATOM 0 HA ALA A 56 16.129 -9.413 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.330 -9.691 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.593 -9.190 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.744 -8.001 2.169 1.00 0.00 H new ATOM 880 N CYS A 57 15.437 -6.974 3.037 1.00 0.00 N ATOM 881 CA CYS A 57 14.855 -6.460 4.312 1.00 0.00 C ATOM 882 C CYS A 57 13.367 -6.811 4.390 1.00 0.00 C ATOM 883 O CYS A 57 12.536 -5.970 4.673 1.00 0.00 O ATOM 884 CB CYS A 57 15.045 -4.943 4.255 1.00 0.00 C ATOM 885 SG CYS A 57 15.215 -4.293 5.936 1.00 0.00 S ATOM 0 H CYS A 57 15.235 -6.410 2.211 1.00 0.00 H new ATOM 0 HA CYS A 57 15.333 -6.896 5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.930 -4.698 3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.194 -4.478 3.758 1.00 0.00 H new ATOM 0 HG CYS A 57 15.672 -3.077 5.887 1.00 0.00 H new ATOM 891 N ASP A 58 13.025 -8.049 4.144 1.00 0.00 N ATOM 892 CA ASP A 58 11.589 -8.456 4.206 1.00 0.00 C ATOM 893 C ASP A 58 11.009 -8.144 5.586 1.00 0.00 C ATOM 894 O ASP A 58 11.730 -7.834 6.514 1.00 0.00 O ATOM 895 CB ASP A 58 11.588 -9.964 3.963 1.00 0.00 C ATOM 896 CG ASP A 58 11.874 -10.246 2.486 1.00 0.00 C ATOM 897 OD1 ASP A 58 12.996 -10.013 2.066 1.00 0.00 O ATOM 898 OD2 ASP A 58 10.967 -10.690 1.801 1.00 0.00 O ATOM 0 H ASP A 58 13.677 -8.795 3.903 1.00 0.00 H new ATOM 0 HA ASP A 58 10.983 -7.923 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.341 -10.444 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.624 -10.387 4.244 1.00 0.00 H new ATOM 903 N LEU A 59 9.715 -8.228 5.728 1.00 0.00 N ATOM 904 CA LEU A 59 9.092 -7.942 7.050 1.00 0.00 C ATOM 905 C LEU A 59 7.953 -8.930 7.314 1.00 0.00 C ATOM 906 O LEU A 59 6.798 -8.559 7.394 1.00 0.00 O ATOM 907 CB LEU A 59 8.554 -6.511 6.945 1.00 0.00 C ATOM 908 CG LEU A 59 9.707 -5.538 6.667 1.00 0.00 C ATOM 909 CD1 LEU A 59 9.156 -4.116 6.522 1.00 0.00 C ATOM 910 CD2 LEU A 59 10.710 -5.578 7.829 1.00 0.00 C ATOM 0 H LEU A 59 9.063 -8.482 4.986 1.00 0.00 H new ATOM 0 HA LEU A 59 9.801 -8.043 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.814 -6.449 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.049 -6.235 7.870 1.00 0.00 H new ATOM 0 HG LEU A 59 10.208 -5.831 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.977 -3.426 6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.447 -4.083 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.652 -3.826 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.528 -4.886 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.209 -5.289 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.107 -6.588 7.932 1.00 0.00 H new ATOM 922 N THR A 60 8.274 -10.188 7.446 1.00 0.00 N ATOM 923 CA THR A 60 7.218 -11.213 7.700 1.00 0.00 C ATOM 924 C THR A 60 6.465 -10.888 8.994 1.00 0.00 C ATOM 925 O THR A 60 5.310 -11.232 9.152 1.00 0.00 O ATOM 926 CB THR A 60 7.969 -12.542 7.839 1.00 0.00 C ATOM 927 OG1 THR A 60 9.253 -12.434 7.237 1.00 0.00 O ATOM 928 CG2 THR A 60 7.176 -13.648 7.147 1.00 0.00 C ATOM 0 H THR A 60 9.225 -10.553 7.389 1.00 0.00 H new ATOM 0 HA THR A 60 6.479 -11.246 6.899 1.00 0.00 H new ATOM 0 HB THR A 60 8.085 -12.781 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.730 -13.285 7.330 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.709 -14.594 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.193 -13.736 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.059 -13.405 6.091 1.00 0.00 H new ATOM 936 N LEU A 61 7.111 -10.229 9.917 1.00 0.00 N ATOM 937 CA LEU A 61 6.437 -9.881 11.200 1.00 0.00 C ATOM 938 C LEU A 61 5.535 -8.660 11.008 1.00 0.00 C ATOM 939 O LEU A 61 4.515 -8.521 11.656 1.00 0.00 O ATOM 940 CB LEU A 61 7.574 -9.569 12.171 1.00 0.00 C ATOM 941 CG LEU A 61 8.431 -10.822 12.369 1.00 0.00 C ATOM 942 CD1 LEU A 61 9.908 -10.431 12.434 1.00 0.00 C ATOM 943 CD2 LEU A 61 8.030 -11.516 13.672 1.00 0.00 C ATOM 0 H LEU A 61 8.079 -9.916 9.838 1.00 0.00 H new ATOM 0 HA LEU A 61 5.801 -10.686 11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.185 -8.754 11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.170 -9.237 13.127 1.00 0.00 H new ATOM 0 HG LEU A 61 8.273 -11.501 11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.515 -11.325 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.196 -9.940 11.504 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.067 -9.749 13.269 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.641 -12.408 13.812 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.184 -10.835 14.509 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.979 -11.800 13.624 1.00 0.00 H new ATOM 955 N PHE A 62 5.898 -7.775 10.117 1.00 0.00 N ATOM 956 CA PHE A 62 5.055 -6.567 9.878 1.00 0.00 C ATOM 957 C PHE A 62 3.701 -6.984 9.299 1.00 0.00 C ATOM 958 O PHE A 62 3.623 -7.532 8.216 1.00 0.00 O ATOM 959 CB PHE A 62 5.839 -5.722 8.869 1.00 0.00 C ATOM 960 CG PHE A 62 5.018 -4.517 8.457 1.00 0.00 C ATOM 961 CD1 PHE A 62 3.988 -4.657 7.517 1.00 0.00 C ATOM 962 CD2 PHE A 62 5.291 -3.261 9.011 1.00 0.00 C ATOM 963 CE1 PHE A 62 3.233 -3.542 7.133 1.00 0.00 C ATOM 964 CE2 PHE A 62 4.533 -2.146 8.627 1.00 0.00 C ATOM 965 CZ PHE A 62 3.506 -2.288 7.689 1.00 0.00 C ATOM 0 H PHE A 62 6.741 -7.836 9.545 1.00 0.00 H new ATOM 0 HA PHE A 62 4.854 -6.013 10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.782 -5.397 9.309 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.085 -6.322 7.993 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.776 -5.626 7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.086 -3.151 9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.440 -3.650 6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.742 -1.177 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.923 -1.428 7.393 1.00 0.00 H new ATOM 975 N ASP A 63 2.638 -6.725 10.006 1.00 0.00 N ATOM 976 CA ASP A 63 1.290 -7.100 9.489 1.00 0.00 C ATOM 977 C ASP A 63 0.753 -5.980 8.593 1.00 0.00 C ATOM 978 O ASP A 63 0.743 -4.826 8.967 1.00 0.00 O ATOM 979 CB ASP A 63 0.419 -7.262 10.735 1.00 0.00 C ATOM 980 CG ASP A 63 0.446 -8.723 11.191 1.00 0.00 C ATOM 981 OD1 ASP A 63 -0.386 -9.483 10.727 1.00 0.00 O ATOM 982 OD2 ASP A 63 1.300 -9.055 11.997 1.00 0.00 O ATOM 0 H ASP A 63 2.642 -6.270 10.919 1.00 0.00 H new ATOM 0 HA ASP A 63 1.307 -8.011 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.783 -6.614 11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.605 -6.957 10.518 1.00 0.00 H new ATOM 987 N PHE A 64 0.313 -6.313 7.409 1.00 0.00 N ATOM 988 CA PHE A 64 -0.218 -5.264 6.487 1.00 0.00 C ATOM 989 C PHE A 64 -1.410 -4.543 7.130 1.00 0.00 C ATOM 990 O PHE A 64 -1.374 -3.348 7.355 1.00 0.00 O ATOM 991 CB PHE A 64 -0.649 -6.027 5.230 1.00 0.00 C ATOM 992 CG PHE A 64 -1.417 -5.111 4.303 1.00 0.00 C ATOM 993 CD1 PHE A 64 -0.739 -4.156 3.535 1.00 0.00 C ATOM 994 CD2 PHE A 64 -2.810 -5.220 4.214 1.00 0.00 C ATOM 995 CE1 PHE A 64 -1.456 -3.311 2.678 1.00 0.00 C ATOM 996 CE2 PHE A 64 -3.526 -4.375 3.357 1.00 0.00 C ATOM 997 CZ PHE A 64 -2.848 -3.421 2.590 1.00 0.00 C ATOM 0 H PHE A 64 0.298 -7.264 7.040 1.00 0.00 H new ATOM 0 HA PHE A 64 0.521 -4.496 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.227 -6.424 4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.269 -6.879 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.335 -4.071 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.333 -5.956 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.934 -2.574 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.600 -4.460 3.288 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.400 -2.769 1.929 1.00 0.00 H new ATOM 1007 N LYS A 65 -2.466 -5.255 7.419 1.00 0.00 N ATOM 1008 CA LYS A 65 -3.663 -4.608 8.037 1.00 0.00 C ATOM 1009 C LYS A 65 -3.287 -3.907 9.348 1.00 0.00 C ATOM 1010 O LYS A 65 -3.505 -2.722 9.510 1.00 0.00 O ATOM 1011 CB LYS A 65 -4.647 -5.752 8.301 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.001 -5.416 7.670 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.861 -5.385 6.145 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.984 -4.533 5.546 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.377 -3.189 5.338 1.00 0.00 N ATOM 0 H LYS A 65 -2.553 -6.258 7.254 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.090 -3.844 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.260 -6.682 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.762 -5.907 9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.744 -6.158 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.354 -4.451 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.890 -4.974 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.905 -6.398 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.341 -4.955 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.841 -4.480 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.001 -2.616 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.254 -2.718 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.451 -3.294 4.876 1.00 0.00 H new ATOM 1029 N GLN A 66 -2.732 -4.627 10.286 1.00 0.00 N ATOM 1030 CA GLN A 66 -2.353 -3.996 11.586 1.00 0.00 C ATOM 1031 C GLN A 66 -1.304 -2.902 11.367 1.00 0.00 C ATOM 1032 O GLN A 66 -1.440 -1.796 11.854 1.00 0.00 O ATOM 1033 CB GLN A 66 -1.773 -5.132 12.428 1.00 0.00 C ATOM 1034 CG GLN A 66 -2.838 -6.210 12.639 1.00 0.00 C ATOM 1035 CD GLN A 66 -2.540 -6.981 13.926 1.00 0.00 C ATOM 1036 OE1 GLN A 66 -2.750 -6.407 15.080 1.00 0.00 O flip ATOM 1037 NE2 GLN A 66 -2.110 -8.116 13.883 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.525 -5.623 10.210 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.205 -3.522 12.072 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.902 -5.559 11.930 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.434 -4.748 13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.826 -5.753 12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.852 -6.893 11.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.946 -8.565 12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.913 -8.620 14.748 1.00 0.00 H new ATOM 1046 N GLY A 67 -0.258 -3.200 10.643 1.00 0.00 N ATOM 1047 CA GLY A 67 0.799 -2.176 10.403 1.00 0.00 C ATOM 1048 C GLY A 67 1.664 -2.045 11.656 1.00 0.00 C ATOM 1049 O GLY A 67 1.923 -0.957 12.134 1.00 0.00 O ATOM 0 H GLY A 67 -0.090 -4.107 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.414 -2.464 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.344 -1.216 10.159 1.00 0.00 H new ATOM 1053 N ILE A 68 2.106 -3.148 12.193 1.00 0.00 N ATOM 1054 CA ILE A 68 2.952 -3.102 13.425 1.00 0.00 C ATOM 1055 C ILE A 68 3.844 -4.340 13.500 1.00 0.00 C ATOM 1056 O ILE A 68 3.552 -5.366 12.916 1.00 0.00 O ATOM 1057 CB ILE A 68 1.974 -3.087 14.605 1.00 0.00 C ATOM 1058 CG1 ILE A 68 0.682 -3.828 14.235 1.00 0.00 C ATOM 1059 CG2 ILE A 68 1.643 -1.639 14.970 1.00 0.00 C ATOM 1060 CD1 ILE A 68 0.073 -4.456 15.489 1.00 0.00 C ATOM 0 H ILE A 68 1.919 -4.084 11.833 1.00 0.00 H new ATOM 0 HA ILE A 68 3.604 -2.228 13.430 1.00 0.00 H new ATOM 0 HB ILE A 68 2.437 -3.587 15.456 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.028 -3.137 13.781 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.893 -4.600 13.495 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.947 -1.625 15.809 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.558 -1.116 15.248 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.188 -1.143 14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.844 -4.982 15.224 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.782 -5.160 15.924 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.153 -3.674 16.214 1.00 0.00 H new ATOM 1072 N LEU A 69 4.926 -4.255 14.225 1.00 0.00 N ATOM 1073 CA LEU A 69 5.835 -5.428 14.352 1.00 0.00 C ATOM 1074 C LEU A 69 5.461 -6.235 15.597 1.00 0.00 C ATOM 1075 O LEU A 69 6.046 -6.071 16.651 1.00 0.00 O ATOM 1076 CB LEU A 69 7.238 -4.836 14.496 1.00 0.00 C ATOM 1077 CG LEU A 69 7.961 -4.872 13.146 1.00 0.00 C ATOM 1078 CD1 LEU A 69 9.358 -4.268 13.302 1.00 0.00 C ATOM 1079 CD2 LEU A 69 8.088 -6.320 12.666 1.00 0.00 C ATOM 0 H LEU A 69 5.220 -3.422 14.735 1.00 0.00 H new ATOM 0 HA LEU A 69 5.770 -6.101 13.497 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.174 -3.809 14.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.805 -5.399 15.237 1.00 0.00 H new ATOM 0 HG LEU A 69 7.390 -4.297 12.417 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.874 -4.293 12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.272 -3.236 13.642 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.924 -4.845 14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.603 -6.341 11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.657 -6.897 13.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.095 -6.755 12.555 1.00 0.00 H new