USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 625 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 11 LYS NZ :NH3+ -169:sc= 0.00976 (180deg=-0.127) USER MOD Set 1.2: A 78 MET CE :methyl -143:sc= 0 (180deg=-0.5) USER MOD Set 2.1: A 19 TYR OH : rot -140:sc= 1.12 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.964 USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.0414 (180deg=-0.275) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 1.18 (180deg=0.955) USER MOD Single : A 16 MET CE :methyl 178:sc= -0.518 (180deg=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.112 K(o=0.11,f=-0.62) USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.697 K(o=0.7,f=-3.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.0303 (180deg=-0.229) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.22) USER MOD Single : A 54 THR OG1 : rot -96:sc= 0.223 USER MOD Single : A 55 MET CE :methyl 179:sc= -1.03 (180deg=-1.07) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.934 (180deg=0.674) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 174:sc= -1.01 (180deg=-1.09) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0296 (180deg=-0.267) USER MOD Single : A 80 THR OG1 : rot -34:sc= 0.553 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N PRO A 9 -3.694 17.213 3.763 1.00 33.42 N ATOM 105 CA PRO A 9 -4.655 17.815 2.835 1.00 44.11 C ATOM 106 C PRO A 9 -4.748 17.021 1.533 1.00 41.14 C ATOM 107 O PRO A 9 -4.683 17.591 0.439 1.00 54.35 O ATOM 108 CB PRO A 9 -4.053 19.195 2.578 1.00 43.24 C ATOM 109 CG PRO A 9 -2.583 18.990 2.702 1.00 32.14 C ATOM 110 CD PRO A 9 -2.389 17.906 3.732 1.00 40.21 C ATOM 0 HA PRO A 9 -5.670 17.843 3.232 1.00 44.11 H new ATOM 0 HB2 PRO A 9 -4.320 19.566 1.589 1.00 43.24 H new ATOM 0 HB3 PRO A 9 -4.414 19.926 3.301 1.00 43.24 H new ATOM 0 HG2 PRO A 9 -2.150 18.699 1.745 1.00 32.14 H new ATOM 0 HG3 PRO A 9 -2.087 19.911 3.009 1.00 32.14 H new ATOM 0 HD2 PRO A 9 -1.582 17.228 3.453 1.00 40.21 H new ATOM 0 HD3 PRO A 9 -2.133 18.321 4.707 1.00 40.21 H new ATOM 118 N LYS A 10 -4.905 15.696 1.669 1.00 5.33 N ATOM 119 CA LYS A 10 -4.989 14.773 0.533 1.00 0.33 C ATOM 120 C LYS A 10 -3.647 14.682 -0.178 1.00 25.42 C ATOM 121 O LYS A 10 -3.568 14.316 -1.352 1.00 32.41 O ATOM 122 CB LYS A 10 -6.103 15.184 -0.446 1.00 74.45 C ATOM 123 CG LYS A 10 -7.495 15.226 0.180 1.00 14.34 C ATOM 124 CD LYS A 10 -7.928 13.861 0.713 1.00 15.22 C ATOM 125 CE LYS A 10 -8.106 12.844 -0.408 1.00 61.41 C ATOM 126 NZ LYS A 10 -9.160 13.256 -1.370 1.00 33.45 N ATOM 0 H LYS A 10 -4.977 15.235 2.576 1.00 5.33 H new ATOM 0 HA LYS A 10 -5.243 13.786 0.920 1.00 0.33 H new ATOM 0 HB2 LYS A 10 -5.869 16.167 -0.854 1.00 74.45 H new ATOM 0 HB3 LYS A 10 -6.113 14.486 -1.283 1.00 74.45 H new ATOM 0 HG2 LYS A 10 -7.504 15.952 0.993 1.00 14.34 H new ATOM 0 HG3 LYS A 10 -8.215 15.570 -0.562 1.00 14.34 H new ATOM 0 HD2 LYS A 10 -7.184 13.495 1.421 1.00 15.22 H new ATOM 0 HD3 LYS A 10 -8.865 13.965 1.261 1.00 15.22 H new ATOM 0 HE2 LYS A 10 -7.161 12.718 -0.937 1.00 61.41 H new ATOM 0 HE3 LYS A 10 -8.364 11.875 0.019 1.00 61.41 H new ATOM 0 HZ1 LYS A 10 -9.417 12.447 -1.971 1.00 33.45 H new ATOM 0 HZ2 LYS A 10 -9.999 13.579 -0.848 1.00 33.45 H new ATOM 0 HZ3 LYS A 10 -8.803 14.030 -1.965 1.00 33.45 H new ATOM 140 N LYS A 11 -2.596 14.992 0.556 1.00 70.15 N ATOM 141 CA LYS A 11 -1.249 14.952 0.032 1.00 74.13 C ATOM 142 C LYS A 11 -0.718 13.529 0.062 1.00 1.43 C ATOM 143 O LYS A 11 -0.829 12.845 1.084 1.00 44.33 O ATOM 144 CB LYS A 11 -0.323 15.846 0.868 1.00 25.44 C ATOM 145 CG LYS A 11 1.146 15.748 0.468 1.00 45.31 C ATOM 146 CD LYS A 11 2.055 16.385 1.505 1.00 75.23 C ATOM 147 CE LYS A 11 3.523 16.252 1.115 1.00 31.53 C ATOM 148 NZ LYS A 11 3.944 14.830 0.976 1.00 64.10 N ATOM 0 H LYS A 11 -2.654 15.279 1.533 1.00 70.15 H new ATOM 0 HA LYS A 11 -1.273 15.314 -0.996 1.00 74.13 H new ATOM 0 HB2 LYS A 11 -0.649 16.882 0.772 1.00 25.44 H new ATOM 0 HB3 LYS A 11 -0.423 15.576 1.919 1.00 25.44 H new ATOM 0 HG2 LYS A 11 1.419 14.701 0.339 1.00 45.31 H new ATOM 0 HG3 LYS A 11 1.294 16.237 -0.495 1.00 45.31 H new ATOM 0 HD2 LYS A 11 1.800 17.439 1.616 1.00 75.23 H new ATOM 0 HD3 LYS A 11 1.890 15.914 2.474 1.00 75.23 H new ATOM 0 HE2 LYS A 11 3.695 16.773 0.173 1.00 31.53 H new ATOM 0 HE3 LYS A 11 4.142 16.740 1.868 1.00 31.53 H new ATOM 0 HZ1 LYS A 11 4.980 14.781 0.895 1.00 64.10 H new ATOM 0 HZ2 LYS A 11 3.636 14.293 1.812 1.00 64.10 H new ATOM 0 HZ3 LYS A 11 3.511 14.421 0.123 1.00 64.10 H new ATOM 162 N PRO A 12 -0.150 13.050 -1.056 1.00 32.05 N ATOM 163 CA PRO A 12 0.466 11.732 -1.100 1.00 42.21 C ATOM 164 C PRO A 12 1.559 11.615 -0.042 1.00 14.42 C ATOM 165 O PRO A 12 2.546 12.363 -0.058 1.00 41.24 O ATOM 166 CB PRO A 12 1.073 11.669 -2.506 1.00 24.42 C ATOM 167 CG PRO A 12 0.259 12.624 -3.299 1.00 14.52 C ATOM 168 CD PRO A 12 -0.093 13.735 -2.357 1.00 71.33 C ATOM 0 HA PRO A 12 -0.240 10.925 -0.902 1.00 42.21 H new ATOM 0 HB2 PRO A 12 2.125 11.954 -2.498 1.00 24.42 H new ATOM 0 HB3 PRO A 12 1.018 10.661 -2.918 1.00 24.42 H new ATOM 0 HG2 PRO A 12 0.819 12.999 -4.155 1.00 14.52 H new ATOM 0 HG3 PRO A 12 -0.638 12.144 -3.690 1.00 14.52 H new ATOM 0 HD2 PRO A 12 0.657 14.526 -2.366 1.00 71.33 H new ATOM 0 HD3 PRO A 12 -1.046 14.197 -2.614 1.00 71.33 H new ATOM 176 N ARG A 13 1.369 10.698 0.877 1.00 42.54 N ATOM 177 CA ARG A 13 2.305 10.478 1.965 1.00 34.31 C ATOM 178 C ARG A 13 2.595 9.002 2.086 1.00 65.43 C ATOM 179 O ARG A 13 2.762 8.470 3.186 1.00 61.31 O ATOM 180 CB ARG A 13 1.730 11.016 3.284 1.00 12.13 C ATOM 181 CG ARG A 13 0.331 10.512 3.596 1.00 15.22 C ATOM 182 CD ARG A 13 -0.092 10.872 5.008 1.00 54.51 C ATOM 183 NE ARG A 13 -1.483 10.502 5.268 1.00 72.40 N ATOM 184 CZ ARG A 13 -1.879 9.325 5.756 1.00 31.44 C ATOM 185 NH1 ARG A 13 -0.983 8.388 6.055 1.00 42.15 N ATOM 186 NH2 ARG A 13 -3.172 9.089 5.951 1.00 42.14 N ATOM 0 H ARG A 13 0.559 10.079 0.895 1.00 42.54 H new ATOM 0 HA ARG A 13 3.231 11.012 1.753 1.00 34.31 H new ATOM 0 HB2 ARG A 13 2.397 10.737 4.100 1.00 12.13 H new ATOM 0 HB3 ARG A 13 1.713 12.105 3.244 1.00 12.13 H new ATOM 0 HG2 ARG A 13 -0.376 10.938 2.884 1.00 15.22 H new ATOM 0 HG3 ARG A 13 0.297 9.430 3.471 1.00 15.22 H new ATOM 0 HD2 ARG A 13 0.558 10.367 5.722 1.00 54.51 H new ATOM 0 HD3 ARG A 13 0.035 11.943 5.164 1.00 54.51 H new ATOM 0 HE ARG A 13 -2.203 11.194 5.061 1.00 72.40 H new ATOM 0 HH11 ARG A 13 0.011 8.568 5.911 1.00 42.15 H new ATOM 0 HH12 ARG A 13 -1.290 7.490 6.428 1.00 42.15 H new ATOM 0 HH21 ARG A 13 -3.861 9.807 5.728 1.00 42.14 H new ATOM 0 HH22 ARG A 13 -3.476 8.190 6.324 1.00 42.14 H new ATOM 200 N GLY A 14 2.688 8.353 0.953 1.00 62.15 N ATOM 201 CA GLY A 14 2.912 6.947 0.938 1.00 21.02 C ATOM 202 C GLY A 14 1.670 6.205 0.523 1.00 60.44 C ATOM 203 O GLY A 14 0.656 6.238 1.225 1.00 10.43 O ATOM 0 H GLY A 14 2.611 8.785 0.032 1.00 62.15 H new ATOM 0 HA2 GLY A 14 3.726 6.713 0.252 1.00 21.02 H new ATOM 0 HA3 GLY A 14 3.224 6.615 1.928 1.00 21.02 H new ATOM 207 N LYS A 15 1.723 5.571 -0.634 1.00 40.03 N ATOM 208 CA LYS A 15 0.608 4.778 -1.108 1.00 2.42 C ATOM 209 C LYS A 15 0.625 3.430 -0.396 1.00 33.54 C ATOM 210 O LYS A 15 0.299 3.362 0.789 1.00 30.32 O ATOM 211 CB LYS A 15 0.652 4.626 -2.633 1.00 70.34 C ATOM 212 CG LYS A 15 1.998 4.179 -3.183 1.00 24.13 C ATOM 213 CD LYS A 15 1.899 3.904 -4.655 1.00 51.40 C ATOM 214 CE LYS A 15 3.079 3.107 -5.161 1.00 31.21 C ATOM 215 NZ LYS A 15 2.911 2.765 -6.588 1.00 53.22 N ATOM 0 H LYS A 15 2.527 5.591 -1.261 1.00 40.03 H new ATOM 0 HA LYS A 15 -0.330 5.283 -0.876 1.00 2.42 H new ATOM 0 HB2 LYS A 15 -0.108 3.905 -2.936 1.00 70.34 H new ATOM 0 HB3 LYS A 15 0.386 5.580 -3.089 1.00 70.34 H new ATOM 0 HG2 LYS A 15 2.746 4.950 -3.001 1.00 24.13 H new ATOM 0 HG3 LYS A 15 2.331 3.282 -2.661 1.00 24.13 H new ATOM 0 HD2 LYS A 15 0.978 3.359 -4.861 1.00 51.40 H new ATOM 0 HD3 LYS A 15 1.839 4.848 -5.197 1.00 51.40 H new ATOM 0 HE2 LYS A 15 3.996 3.681 -5.026 1.00 31.21 H new ATOM 0 HE3 LYS A 15 3.185 2.195 -4.574 1.00 31.21 H new ATOM 0 HZ1 LYS A 15 3.681 2.133 -6.887 1.00 53.22 H new ATOM 0 HZ2 LYS A 15 1.998 2.286 -6.725 1.00 53.22 H new ATOM 0 HZ3 LYS A 15 2.935 3.634 -7.158 1.00 53.22 H new ATOM 229 N MET A 16 0.987 2.345 -1.087 1.00 70.42 N ATOM 230 CA MET A 16 1.227 1.054 -0.513 1.00 11.53 C ATOM 231 C MET A 16 2.453 0.496 -1.226 1.00 2.33 C ATOM 232 O MET A 16 2.627 0.743 -2.420 1.00 10.43 O ATOM 233 CB MET A 16 0.018 0.137 -0.757 1.00 45.35 C ATOM 234 CG MET A 16 -1.267 0.601 -0.084 1.00 32.24 C ATOM 235 SD MET A 16 -2.745 -0.216 -0.733 1.00 72.12 S ATOM 236 CE MET A 16 -2.382 -1.938 -0.403 1.00 1.15 C ATOM 0 H MET A 16 1.121 2.362 -2.098 1.00 70.42 H new ATOM 0 HA MET A 16 1.384 1.119 0.564 1.00 11.53 H new ATOM 0 HB2 MET A 16 -0.155 0.061 -1.831 1.00 45.35 H new ATOM 0 HB3 MET A 16 0.259 -0.865 -0.402 1.00 45.35 H new ATOM 0 HG2 MET A 16 -1.197 0.414 0.987 1.00 32.24 H new ATOM 0 HG3 MET A 16 -1.369 1.679 -0.213 1.00 32.24 H new ATOM 0 HE1 MET A 16 -3.224 -2.554 -0.719 1.00 1.15 H new ATOM 0 HE2 MET A 16 -1.489 -2.234 -0.953 1.00 1.15 H new ATOM 0 HE3 MET A 16 -2.212 -2.076 0.665 1.00 1.15 H new ATOM 246 N SER A 17 3.302 -0.216 -0.526 1.00 75.52 N ATOM 247 CA SER A 17 4.510 -0.760 -1.140 1.00 42.52 C ATOM 248 C SER A 17 4.209 -2.077 -1.863 1.00 61.35 C ATOM 249 O SER A 17 3.094 -2.602 -1.758 1.00 12.44 O ATOM 250 CB SER A 17 5.577 -0.965 -0.070 1.00 32.24 C ATOM 251 OG SER A 17 5.750 0.217 0.697 1.00 65.11 O ATOM 0 H SER A 17 3.189 -0.437 0.463 1.00 75.52 H new ATOM 0 HA SER A 17 4.879 -0.052 -1.881 1.00 42.52 H new ATOM 0 HB2 SER A 17 5.291 -1.790 0.583 1.00 32.24 H new ATOM 0 HB3 SER A 17 6.521 -1.242 -0.539 1.00 32.24 H new ATOM 0 HG SER A 17 6.437 0.066 1.380 1.00 65.11 H new ATOM 257 N SER A 18 5.202 -2.617 -2.586 1.00 4.43 N ATOM 258 CA SER A 18 5.053 -3.885 -3.304 1.00 65.52 C ATOM 259 C SER A 18 4.635 -4.993 -2.352 1.00 32.31 C ATOM 260 O SER A 18 3.865 -5.883 -2.715 1.00 51.31 O ATOM 261 CB SER A 18 6.361 -4.254 -3.998 1.00 62.12 C ATOM 262 OG SER A 18 6.864 -3.158 -4.751 1.00 41.14 O ATOM 0 H SER A 18 6.122 -2.189 -2.687 1.00 4.43 H new ATOM 0 HA SER A 18 4.275 -3.765 -4.058 1.00 65.52 H new ATOM 0 HB2 SER A 18 7.098 -4.558 -3.255 1.00 62.12 H new ATOM 0 HB3 SER A 18 6.200 -5.108 -4.655 1.00 62.12 H new ATOM 0 HG SER A 18 7.821 -3.287 -4.917 1.00 41.14 H new ATOM 268 N TYR A 19 5.157 -4.927 -1.129 1.00 74.31 N ATOM 269 CA TYR A 19 4.787 -5.858 -0.077 1.00 65.45 C ATOM 270 C TYR A 19 3.272 -5.901 0.088 1.00 30.42 C ATOM 271 O TYR A 19 2.675 -6.971 0.142 1.00 52.13 O ATOM 272 CB TYR A 19 5.454 -5.438 1.239 1.00 42.42 C ATOM 273 CG TYR A 19 4.878 -6.102 2.472 1.00 63.53 C ATOM 274 CD1 TYR A 19 5.188 -7.414 2.789 1.00 11.24 C ATOM 275 CD2 TYR A 19 4.020 -5.406 3.321 1.00 43.44 C ATOM 276 CE1 TYR A 19 4.663 -8.015 3.913 1.00 44.12 C ATOM 277 CE2 TYR A 19 3.491 -6.003 4.447 1.00 22.21 C ATOM 278 CZ TYR A 19 3.815 -7.308 4.739 1.00 75.12 C ATOM 279 OH TYR A 19 3.294 -7.909 5.860 1.00 61.20 O ATOM 0 H TYR A 19 5.844 -4.229 -0.845 1.00 74.31 H new ATOM 0 HA TYR A 19 5.130 -6.856 -0.349 1.00 65.45 H new ATOM 0 HB2 TYR A 19 6.518 -5.666 1.182 1.00 42.42 H new ATOM 0 HB3 TYR A 19 5.365 -4.357 1.348 1.00 42.42 H new ATOM 0 HD1 TYR A 19 5.851 -7.974 2.146 1.00 11.24 H new ATOM 0 HD2 TYR A 19 3.765 -4.382 3.094 1.00 43.44 H new ATOM 0 HE1 TYR A 19 4.916 -9.039 4.146 1.00 44.12 H new ATOM 0 HE2 TYR A 19 2.827 -5.450 5.095 1.00 22.21 H new ATOM 0 HH TYR A 19 2.355 -7.648 5.964 1.00 61.20 H new ATOM 289 N ALA A 20 2.657 -4.727 0.132 1.00 44.31 N ATOM 290 CA ALA A 20 1.223 -4.621 0.303 1.00 20.33 C ATOM 291 C ALA A 20 0.498 -5.175 -0.915 1.00 63.24 C ATOM 292 O ALA A 20 -0.475 -5.914 -0.779 1.00 12.35 O ATOM 293 CB ALA A 20 0.832 -3.180 0.556 1.00 32.11 C ATOM 0 H ALA A 20 3.137 -3.831 0.050 1.00 44.31 H new ATOM 0 HA ALA A 20 0.928 -5.214 1.169 1.00 20.33 H new ATOM 0 HB1 ALA A 20 -0.249 -3.113 0.683 1.00 32.11 H new ATOM 0 HB2 ALA A 20 1.326 -2.822 1.459 1.00 32.11 H new ATOM 0 HB3 ALA A 20 1.136 -2.566 -0.292 1.00 32.11 H new ATOM 299 N PHE A 21 0.968 -4.799 -2.111 1.00 30.25 N ATOM 300 CA PHE A 21 0.413 -5.327 -3.365 1.00 10.23 C ATOM 301 C PHE A 21 0.429 -6.855 -3.403 1.00 71.24 C ATOM 302 O PHE A 21 -0.360 -7.468 -4.112 1.00 12.10 O ATOM 303 CB PHE A 21 1.159 -4.766 -4.582 1.00 72.32 C ATOM 304 CG PHE A 21 0.827 -3.334 -4.891 1.00 22.21 C ATOM 305 CD1 PHE A 21 -0.327 -3.014 -5.587 1.00 14.32 C ATOM 306 CD2 PHE A 21 1.667 -2.310 -4.491 1.00 11.24 C ATOM 307 CE1 PHE A 21 -0.636 -1.701 -5.876 1.00 3.20 C ATOM 308 CE2 PHE A 21 1.362 -0.995 -4.776 1.00 41.34 C ATOM 309 CZ PHE A 21 0.211 -0.690 -5.470 1.00 54.33 C ATOM 0 H PHE A 21 1.730 -4.133 -2.237 1.00 30.25 H new ATOM 0 HA PHE A 21 -0.626 -5.001 -3.407 1.00 10.23 H new ATOM 0 HB2 PHE A 21 2.232 -4.851 -4.409 1.00 72.32 H new ATOM 0 HB3 PHE A 21 0.927 -5.379 -5.453 1.00 72.32 H new ATOM 0 HD1 PHE A 21 -0.993 -3.802 -5.907 1.00 14.32 H new ATOM 0 HD2 PHE A 21 2.572 -2.543 -3.949 1.00 11.24 H new ATOM 0 HE1 PHE A 21 -1.539 -1.465 -6.419 1.00 3.20 H new ATOM 0 HE2 PHE A 21 2.025 -0.205 -4.455 1.00 41.34 H new ATOM 0 HZ PHE A 21 -0.028 0.339 -5.696 1.00 54.33 H new ATOM 319 N PHE A 22 1.332 -7.460 -2.655 1.00 43.51 N ATOM 320 CA PHE A 22 1.386 -8.906 -2.568 1.00 61.22 C ATOM 321 C PHE A 22 0.385 -9.420 -1.541 1.00 62.34 C ATOM 322 O PHE A 22 -0.281 -10.435 -1.763 1.00 52.44 O ATOM 323 CB PHE A 22 2.795 -9.380 -2.205 1.00 52.05 C ATOM 324 CG PHE A 22 2.853 -10.837 -1.830 1.00 61.31 C ATOM 325 CD1 PHE A 22 2.577 -11.818 -2.764 1.00 75.42 C ATOM 326 CD2 PHE A 22 3.168 -11.219 -0.537 1.00 43.11 C ATOM 327 CE1 PHE A 22 2.615 -13.153 -2.420 1.00 15.21 C ATOM 328 CE2 PHE A 22 3.207 -12.552 -0.186 1.00 12.40 C ATOM 329 CZ PHE A 22 2.931 -13.519 -1.129 1.00 14.31 C ATOM 0 H PHE A 22 2.036 -6.974 -2.100 1.00 43.51 H new ATOM 0 HA PHE A 22 1.126 -9.309 -3.547 1.00 61.22 H new ATOM 0 HB2 PHE A 22 3.460 -9.202 -3.050 1.00 52.05 H new ATOM 0 HB3 PHE A 22 3.169 -8.782 -1.374 1.00 52.05 H new ATOM 0 HD1 PHE A 22 2.328 -11.535 -3.776 1.00 75.42 H new ATOM 0 HD2 PHE A 22 3.386 -10.465 0.205 1.00 43.11 H new ATOM 0 HE1 PHE A 22 2.398 -13.909 -3.160 1.00 15.21 H new ATOM 0 HE2 PHE A 22 3.453 -12.838 0.826 1.00 12.40 H new ATOM 0 HZ PHE A 22 2.962 -14.564 -0.856 1.00 14.31 H new ATOM 339 N VAL A 23 0.260 -8.700 -0.433 1.00 41.43 N ATOM 340 CA VAL A 23 -0.626 -9.101 0.654 1.00 23.34 C ATOM 341 C VAL A 23 -2.091 -9.022 0.224 1.00 3.53 C ATOM 342 O VAL A 23 -2.933 -9.752 0.735 1.00 21.13 O ATOM 343 CB VAL A 23 -0.406 -8.239 1.932 1.00 14.22 C ATOM 344 CG1 VAL A 23 -1.301 -8.710 3.073 1.00 34.20 C ATOM 345 CG2 VAL A 23 1.049 -8.280 2.362 1.00 2.33 C ATOM 0 H VAL A 23 0.764 -7.830 -0.263 1.00 41.43 H new ATOM 0 HA VAL A 23 -0.380 -10.135 0.896 1.00 23.34 H new ATOM 0 HB VAL A 23 -0.672 -7.211 1.688 1.00 14.22 H new ATOM 0 HG11 VAL A 23 -1.126 -8.090 3.952 1.00 34.20 H new ATOM 0 HG12 VAL A 23 -2.346 -8.628 2.773 1.00 34.20 H new ATOM 0 HG13 VAL A 23 -1.072 -9.749 3.310 1.00 34.20 H new ATOM 0 HG21 VAL A 23 1.181 -7.671 3.257 1.00 2.33 H new ATOM 0 HG22 VAL A 23 1.336 -9.309 2.578 1.00 2.33 H new ATOM 0 HG23 VAL A 23 1.676 -7.889 1.561 1.00 2.33 H new ATOM 355 N GLN A 24 -2.383 -8.166 -0.750 1.00 64.12 N ATOM 356 CA GLN A 24 -3.756 -8.024 -1.213 1.00 64.31 C ATOM 357 C GLN A 24 -4.200 -9.320 -1.888 1.00 70.25 C ATOM 358 O GLN A 24 -5.318 -9.789 -1.687 1.00 73.23 O ATOM 359 CB GLN A 24 -3.906 -6.830 -2.180 1.00 5.12 C ATOM 360 CG GLN A 24 -3.244 -7.037 -3.533 1.00 30.13 C ATOM 361 CD GLN A 24 -3.451 -5.884 -4.493 1.00 43.10 C ATOM 362 OE1 GLN A 24 -4.458 -5.181 -4.437 1.00 1.34 O ATOM 363 NE2 GLN A 24 -2.504 -5.697 -5.391 1.00 4.15 N ATOM 0 H GLN A 24 -1.703 -7.572 -1.225 1.00 64.12 H new ATOM 0 HA GLN A 24 -4.393 -7.826 -0.351 1.00 64.31 H new ATOM 0 HB2 GLN A 24 -4.967 -6.632 -2.334 1.00 5.12 H new ATOM 0 HB3 GLN A 24 -3.481 -5.942 -1.712 1.00 5.12 H new ATOM 0 HG2 GLN A 24 -2.175 -7.188 -3.385 1.00 30.13 H new ATOM 0 HG3 GLN A 24 -3.636 -7.949 -3.984 1.00 30.13 H new ATOM 0 HE21 GLN A 24 -1.684 -6.304 -5.402 1.00 4.15 H new ATOM 0 HE22 GLN A 24 -2.591 -4.945 -6.075 1.00 4.15 H new ATOM 372 N THR A 25 -3.300 -9.898 -2.665 1.00 63.13 N ATOM 373 CA THR A 25 -3.563 -11.137 -3.345 1.00 51.21 C ATOM 374 C THR A 25 -3.408 -12.302 -2.373 1.00 3.21 C ATOM 375 O THR A 25 -4.362 -13.000 -2.084 1.00 21.31 O ATOM 376 CB THR A 25 -2.597 -11.317 -4.534 1.00 51.42 C ATOM 377 OG1 THR A 25 -2.602 -10.129 -5.335 1.00 34.30 O ATOM 378 CG2 THR A 25 -3.005 -12.509 -5.392 1.00 73.23 C ATOM 0 H THR A 25 -2.370 -9.516 -2.837 1.00 63.13 H new ATOM 0 HA THR A 25 -4.584 -11.116 -3.726 1.00 51.21 H new ATOM 0 HB THR A 25 -1.596 -11.500 -4.142 1.00 51.42 H new ATOM 0 HG1 THR A 25 -2.260 -10.336 -6.230 1.00 34.30 H new ATOM 0 HG21 THR A 25 -2.308 -12.614 -6.223 1.00 73.23 H new ATOM 0 HG22 THR A 25 -2.988 -13.416 -4.787 1.00 73.23 H new ATOM 0 HG23 THR A 25 -4.011 -12.351 -5.780 1.00 73.23 H new ATOM 386 N CYS A 26 -2.188 -12.529 -1.939 1.00 75.14 N ATOM 387 CA CYS A 26 -1.852 -13.551 -0.931 1.00 23.13 C ATOM 388 C CYS A 26 -2.975 -13.759 0.126 1.00 55.44 C ATOM 389 O CYS A 26 -3.348 -14.899 0.418 1.00 4.23 O ATOM 390 CB CYS A 26 -0.540 -13.131 -0.240 1.00 2.13 C ATOM 391 SG CYS A 26 -0.184 -13.947 1.350 1.00 53.32 S ATOM 0 H CYS A 26 -1.377 -12.008 -2.273 1.00 75.14 H new ATOM 0 HA CYS A 26 -1.739 -14.508 -1.441 1.00 23.13 H new ATOM 0 HB2 CYS A 26 0.287 -13.329 -0.922 1.00 2.13 H new ATOM 0 HB3 CYS A 26 -0.567 -12.054 -0.076 1.00 2.13 H new ATOM 396 N ARG A 27 -3.517 -12.668 0.673 1.00 3.33 N ATOM 397 CA ARG A 27 -4.578 -12.773 1.679 1.00 2.12 C ATOM 398 C ARG A 27 -5.939 -13.197 1.081 1.00 30.13 C ATOM 399 O ARG A 27 -6.721 -13.887 1.742 1.00 5.15 O ATOM 400 CB ARG A 27 -4.681 -11.467 2.516 1.00 63.21 C ATOM 401 CG ARG A 27 -6.057 -10.799 2.558 1.00 21.13 C ATOM 402 CD ARG A 27 -6.327 -9.973 1.306 1.00 61.32 C ATOM 403 NE ARG A 27 -7.605 -9.270 1.385 1.00 33.13 N ATOM 404 CZ ARG A 27 -8.249 -8.738 0.344 1.00 12.41 C ATOM 405 NH1 ARG A 27 -7.757 -8.847 -0.885 1.00 1.13 N ATOM 406 NH2 ARG A 27 -9.392 -8.100 0.537 1.00 61.15 N ATOM 0 H ARG A 27 -3.244 -11.713 0.441 1.00 3.33 H new ATOM 0 HA ARG A 27 -4.296 -13.580 2.356 1.00 2.12 H new ATOM 0 HB2 ARG A 27 -4.377 -11.691 3.539 1.00 63.21 H new ATOM 0 HB3 ARG A 27 -3.963 -10.749 2.120 1.00 63.21 H new ATOM 0 HG2 ARG A 27 -6.828 -11.562 2.662 1.00 21.13 H new ATOM 0 HG3 ARG A 27 -6.122 -10.158 3.437 1.00 21.13 H new ATOM 0 HD2 ARG A 27 -5.523 -9.251 1.167 1.00 61.32 H new ATOM 0 HD3 ARG A 27 -6.324 -10.625 0.433 1.00 61.32 H new ATOM 0 HE ARG A 27 -8.038 -9.179 2.304 1.00 33.13 H new ATOM 0 HH11 ARG A 27 -6.878 -9.341 -1.041 1.00 1.13 H new ATOM 0 HH12 ARG A 27 -8.258 -8.436 -1.673 1.00 1.13 H new ATOM 0 HH21 ARG A 27 -9.777 -8.017 1.478 1.00 61.15 H new ATOM 0 HH22 ARG A 27 -9.888 -7.692 -0.255 1.00 61.15 H new ATOM 420 N GLU A 28 -6.210 -12.814 -0.169 1.00 73.43 N ATOM 421 CA GLU A 28 -7.490 -13.151 -0.791 1.00 30.03 C ATOM 422 C GLU A 28 -7.524 -14.623 -1.190 1.00 32.44 C ATOM 423 O GLU A 28 -8.553 -15.274 -1.063 1.00 33.13 O ATOM 424 CB GLU A 28 -7.804 -12.248 -2.012 1.00 60.34 C ATOM 425 CG GLU A 28 -6.957 -12.531 -3.246 1.00 51.52 C ATOM 426 CD GLU A 28 -7.276 -11.624 -4.414 1.00 33.40 C ATOM 427 OE1 GLU A 28 -6.988 -10.415 -4.332 1.00 50.43 O ATOM 428 OE2 GLU A 28 -7.812 -12.120 -5.434 1.00 61.25 O ATOM 0 H GLU A 28 -5.573 -12.280 -0.760 1.00 73.43 H new ATOM 0 HA GLU A 28 -8.266 -12.969 -0.047 1.00 30.03 H new ATOM 0 HB2 GLU A 28 -8.855 -12.367 -2.274 1.00 60.34 H new ATOM 0 HB3 GLU A 28 -7.664 -11.207 -1.722 1.00 60.34 H new ATOM 0 HG2 GLU A 28 -5.904 -12.422 -2.988 1.00 51.52 H new ATOM 0 HG3 GLU A 28 -7.105 -13.567 -3.549 1.00 51.52 H new ATOM 435 N GLU A 29 -6.381 -15.148 -1.663 1.00 33.03 N ATOM 436 CA GLU A 29 -6.280 -16.550 -2.086 1.00 14.55 C ATOM 437 C GLU A 29 -6.711 -17.483 -0.965 1.00 62.34 C ATOM 438 O GLU A 29 -7.485 -18.419 -1.176 1.00 54.43 O ATOM 439 CB GLU A 29 -4.838 -16.895 -2.467 1.00 12.31 C ATOM 440 CG GLU A 29 -4.214 -16.001 -3.519 1.00 4.21 C ATOM 441 CD GLU A 29 -2.803 -16.433 -3.851 1.00 11.01 C ATOM 442 OE1 GLU A 29 -1.888 -16.169 -3.044 1.00 53.33 O ATOM 443 OE2 GLU A 29 -2.602 -17.067 -4.909 1.00 33.13 O ATOM 0 H GLU A 29 -5.514 -14.619 -1.761 1.00 33.03 H new ATOM 0 HA GLU A 29 -6.935 -16.679 -2.948 1.00 14.55 H new ATOM 0 HB2 GLU A 29 -4.223 -16.854 -1.568 1.00 12.31 H new ATOM 0 HB3 GLU A 29 -4.811 -17.924 -2.826 1.00 12.31 H new ATOM 0 HG2 GLU A 29 -4.823 -16.021 -4.422 1.00 4.21 H new ATOM 0 HG3 GLU A 29 -4.206 -14.971 -3.163 1.00 4.21 H new ATOM 450 N HIS A 30 -6.222 -17.199 0.232 1.00 12.22 N ATOM 451 CA HIS A 30 -6.496 -18.037 1.386 1.00 54.32 C ATOM 452 C HIS A 30 -7.945 -17.875 1.828 1.00 4.22 C ATOM 453 O HIS A 30 -8.535 -18.789 2.402 1.00 32.01 O ATOM 454 CB HIS A 30 -5.542 -17.683 2.536 1.00 53.55 C ATOM 455 CG HIS A 30 -5.513 -18.689 3.660 1.00 2.54 C ATOM 456 ND1 HIS A 30 -4.470 -19.570 3.853 1.00 24.42 N ATOM 457 CD2 HIS A 30 -6.390 -18.931 4.665 1.00 21.42 C ATOM 458 CE1 HIS A 30 -4.706 -20.305 4.921 1.00 41.10 C ATOM 459 NE2 HIS A 30 -5.862 -19.937 5.431 1.00 33.31 N ATOM 0 H HIS A 30 -5.631 -16.391 0.429 1.00 12.22 H new ATOM 0 HA HIS A 30 -6.335 -19.078 1.107 1.00 54.32 H new ATOM 0 HB2 HIS A 30 -4.534 -17.577 2.135 1.00 53.55 H new ATOM 0 HB3 HIS A 30 -5.827 -16.712 2.942 1.00 53.55 H new ATOM 0 HD2 HIS A 30 -7.330 -18.425 4.831 1.00 21.42 H new ATOM 0 HE1 HIS A 30 -4.061 -21.078 5.311 1.00 41.10 H new ATOM 0 HE2 HIS A 30 -6.296 -20.337 6.263 1.00 33.31 H new ATOM 468 N LYS A 31 -8.515 -16.715 1.554 1.00 22.24 N ATOM 469 CA LYS A 31 -9.889 -16.427 1.918 1.00 20.20 C ATOM 470 C LYS A 31 -10.862 -17.070 0.930 1.00 42.35 C ATOM 471 O LYS A 31 -11.895 -17.595 1.318 1.00 22.42 O ATOM 472 CB LYS A 31 -10.094 -14.915 1.969 1.00 62.32 C ATOM 473 CG LYS A 31 -11.501 -14.484 2.312 1.00 71.00 C ATOM 474 CD LYS A 31 -11.575 -12.985 2.502 1.00 2.53 C ATOM 475 CE LYS A 31 -12.960 -12.545 2.926 1.00 62.35 C ATOM 476 NZ LYS A 31 -13.029 -11.078 3.129 1.00 53.42 N ATOM 0 H LYS A 31 -8.040 -15.950 1.075 1.00 22.24 H new ATOM 0 HA LYS A 31 -10.090 -16.850 2.902 1.00 20.20 H new ATOM 0 HB2 LYS A 31 -9.409 -14.493 2.704 1.00 62.32 H new ATOM 0 HB3 LYS A 31 -9.824 -14.492 1.002 1.00 62.32 H new ATOM 0 HG2 LYS A 31 -12.183 -14.788 1.518 1.00 71.00 H new ATOM 0 HG3 LYS A 31 -11.828 -14.987 3.222 1.00 71.00 H new ATOM 0 HD2 LYS A 31 -10.849 -12.677 3.254 1.00 2.53 H new ATOM 0 HD3 LYS A 31 -11.303 -12.486 1.572 1.00 2.53 H new ATOM 0 HE2 LYS A 31 -13.685 -12.842 2.168 1.00 62.35 H new ATOM 0 HE3 LYS A 31 -13.237 -13.054 3.849 1.00 62.35 H new ATOM 0 HZ1 LYS A 31 -13.992 -10.813 3.419 1.00 53.42 H new ATOM 0 HZ2 LYS A 31 -12.355 -10.798 3.870 1.00 53.42 H new ATOM 0 HZ3 LYS A 31 -12.789 -10.593 2.241 1.00 53.42 H new ATOM 490 N LYS A 32 -10.532 -17.004 -0.342 1.00 21.12 N ATOM 491 CA LYS A 32 -11.356 -17.618 -1.378 1.00 53.11 C ATOM 492 C LYS A 32 -11.393 -19.134 -1.201 1.00 34.32 C ATOM 493 O LYS A 32 -12.436 -19.763 -1.356 1.00 33.00 O ATOM 494 CB LYS A 32 -10.821 -17.259 -2.764 1.00 73.25 C ATOM 495 CG LYS A 32 -10.887 -15.772 -3.075 1.00 31.34 C ATOM 496 CD LYS A 32 -10.141 -15.426 -4.355 1.00 54.23 C ATOM 497 CE LYS A 32 -10.788 -16.051 -5.580 1.00 14.02 C ATOM 498 NZ LYS A 32 -10.094 -15.654 -6.830 1.00 10.13 N ATOM 0 H LYS A 32 -9.698 -16.532 -0.691 1.00 21.12 H new ATOM 0 HA LYS A 32 -12.372 -17.233 -1.286 1.00 53.11 H new ATOM 0 HB2 LYS A 32 -9.786 -17.593 -2.843 1.00 73.25 H new ATOM 0 HB3 LYS A 32 -11.390 -17.805 -3.517 1.00 73.25 H new ATOM 0 HG2 LYS A 32 -11.929 -15.467 -3.168 1.00 31.34 H new ATOM 0 HG3 LYS A 32 -10.463 -15.208 -2.244 1.00 31.34 H new ATOM 0 HD2 LYS A 32 -10.110 -14.343 -4.475 1.00 54.23 H new ATOM 0 HD3 LYS A 32 -9.109 -15.768 -4.276 1.00 54.23 H new ATOM 0 HE2 LYS A 32 -10.774 -17.137 -5.485 1.00 14.02 H new ATOM 0 HE3 LYS A 32 -11.834 -15.749 -5.633 1.00 14.02 H new ATOM 0 HZ1 LYS A 32 -10.563 -16.099 -7.644 1.00 10.13 H new ATOM 0 HZ2 LYS A 32 -10.129 -14.620 -6.933 1.00 10.13 H new ATOM 0 HZ3 LYS A 32 -9.102 -15.964 -6.790 1.00 10.13 H new ATOM 512 N LYS A 33 -10.246 -19.707 -0.868 1.00 5.33 N ATOM 513 CA LYS A 33 -10.151 -21.151 -0.660 1.00 41.41 C ATOM 514 C LYS A 33 -10.723 -21.570 0.694 1.00 1.42 C ATOM 515 O LYS A 33 -11.115 -22.725 0.880 1.00 54.11 O ATOM 516 CB LYS A 33 -8.708 -21.631 -0.813 1.00 75.31 C ATOM 517 CG LYS A 33 -8.141 -21.412 -2.208 1.00 50.51 C ATOM 518 CD LYS A 33 -9.011 -22.069 -3.270 1.00 65.03 C ATOM 519 CE LYS A 33 -8.430 -21.886 -4.658 1.00 53.50 C ATOM 520 NZ LYS A 33 -9.332 -22.423 -5.706 1.00 71.12 N ATOM 0 H LYS A 33 -9.370 -19.201 -0.736 1.00 5.33 H new ATOM 0 HA LYS A 33 -10.756 -21.629 -1.431 1.00 41.41 H new ATOM 0 HB2 LYS A 33 -8.081 -21.110 -0.089 1.00 75.31 H new ATOM 0 HB3 LYS A 33 -8.659 -22.693 -0.572 1.00 75.31 H new ATOM 0 HG2 LYS A 33 -8.065 -20.343 -2.408 1.00 50.51 H new ATOM 0 HG3 LYS A 33 -7.131 -21.819 -2.260 1.00 50.51 H new ATOM 0 HD2 LYS A 33 -9.110 -23.133 -3.053 1.00 65.03 H new ATOM 0 HD3 LYS A 33 -10.013 -21.642 -3.235 1.00 65.03 H new ATOM 0 HE2 LYS A 33 -8.250 -20.826 -4.840 1.00 53.50 H new ATOM 0 HE3 LYS A 33 -7.464 -22.388 -4.717 1.00 53.50 H new ATOM 0 HZ1 LYS A 33 -8.901 -22.280 -6.642 1.00 71.12 H new ATOM 0 HZ2 LYS A 33 -9.483 -23.439 -5.546 1.00 71.12 H new ATOM 0 HZ3 LYS A 33 -10.245 -21.927 -5.666 1.00 71.12 H new ATOM 534 N HIS A 34 -10.772 -20.638 1.629 1.00 1.42 N ATOM 535 CA HIS A 34 -11.342 -20.892 2.953 1.00 71.34 C ATOM 536 C HIS A 34 -12.234 -19.736 3.375 1.00 51.54 C ATOM 537 O HIS A 34 -11.826 -18.874 4.168 1.00 73.41 O ATOM 538 CB HIS A 34 -10.253 -21.132 4.008 1.00 60.30 C ATOM 539 CG HIS A 34 -9.723 -22.532 4.031 1.00 1.32 C ATOM 540 ND1 HIS A 34 -10.139 -23.476 4.943 1.00 2.23 N ATOM 541 CD2 HIS A 34 -8.800 -23.146 3.256 1.00 3.15 C ATOM 542 CE1 HIS A 34 -9.497 -24.606 4.730 1.00 32.11 C ATOM 543 NE2 HIS A 34 -8.682 -24.434 3.714 1.00 14.24 N ATOM 0 H HIS A 34 -10.422 -19.689 1.500 1.00 1.42 H new ATOM 0 HA HIS A 34 -11.940 -21.801 2.883 1.00 71.34 H new ATOM 0 HB2 HIS A 34 -9.427 -20.445 3.825 1.00 60.30 H new ATOM 0 HB3 HIS A 34 -10.656 -20.891 4.992 1.00 60.30 H new ATOM 0 HD2 HIS A 34 -8.258 -22.706 2.432 1.00 3.15 H new ATOM 0 HE1 HIS A 34 -9.620 -25.519 5.294 1.00 32.11 H new ATOM 0 HE2 HIS A 34 -8.061 -25.145 3.327 1.00 14.24 H new ATOM 552 N PRO A 35 -13.464 -19.688 2.831 1.00 10.41 N ATOM 553 CA PRO A 35 -14.419 -18.611 3.107 1.00 12.51 C ATOM 554 C PRO A 35 -14.916 -18.632 4.542 1.00 70.30 C ATOM 555 O PRO A 35 -15.432 -17.634 5.044 1.00 60.21 O ATOM 556 CB PRO A 35 -15.583 -18.894 2.140 1.00 25.51 C ATOM 557 CG PRO A 35 -15.044 -19.875 1.155 1.00 32.32 C ATOM 558 CD PRO A 35 -14.018 -20.671 1.896 1.00 15.15 C ATOM 0 HA PRO A 35 -13.965 -17.630 2.972 1.00 12.51 H new ATOM 0 HB2 PRO A 35 -16.445 -19.301 2.669 1.00 25.51 H new ATOM 0 HB3 PRO A 35 -15.915 -17.981 1.645 1.00 25.51 H new ATOM 0 HG2 PRO A 35 -15.835 -20.518 0.770 1.00 32.32 H new ATOM 0 HG3 PRO A 35 -14.601 -19.367 0.298 1.00 32.32 H new ATOM 0 HD2 PRO A 35 -14.462 -21.520 2.416 1.00 15.15 H new ATOM 0 HD3 PRO A 35 -13.255 -21.070 1.228 1.00 15.15 H new ATOM 566 N ASP A 36 -14.753 -19.767 5.207 1.00 42.42 N ATOM 567 CA ASP A 36 -15.189 -19.921 6.583 1.00 45.42 C ATOM 568 C ASP A 36 -14.263 -19.178 7.528 1.00 54.20 C ATOM 569 O ASP A 36 -14.657 -18.792 8.631 1.00 11.32 O ATOM 570 CB ASP A 36 -15.236 -21.406 6.960 1.00 60.23 C ATOM 571 CG ASP A 36 -13.867 -22.069 6.947 1.00 4.23 C ATOM 572 OD1 ASP A 36 -13.262 -22.182 5.857 1.00 55.53 O ATOM 573 OD2 ASP A 36 -13.397 -22.494 8.027 1.00 24.12 O ATOM 0 H ASP A 36 -14.318 -20.600 4.810 1.00 42.42 H new ATOM 0 HA ASP A 36 -16.189 -19.497 6.673 1.00 45.42 H new ATOM 0 HB2 ASP A 36 -15.673 -21.509 7.953 1.00 60.23 H new ATOM 0 HB3 ASP A 36 -15.893 -21.930 6.266 1.00 60.23 H new ATOM 578 N ALA A 37 -13.035 -18.974 7.096 1.00 72.31 N ATOM 579 CA ALA A 37 -12.060 -18.276 7.899 1.00 13.54 C ATOM 580 C ALA A 37 -12.178 -16.773 7.698 1.00 31.21 C ATOM 581 O ALA A 37 -12.459 -16.032 8.644 1.00 44.52 O ATOM 582 CB ALA A 37 -10.655 -18.752 7.555 1.00 51.32 C ATOM 0 H ALA A 37 -12.690 -19.285 6.188 1.00 72.31 H new ATOM 0 HA ALA A 37 -12.254 -18.496 8.949 1.00 13.54 H new ATOM 0 HB1 ALA A 37 -9.929 -18.217 8.168 1.00 51.32 H new ATOM 0 HB2 ALA A 37 -10.576 -19.822 7.749 1.00 51.32 H new ATOM 0 HB3 ALA A 37 -10.453 -18.558 6.502 1.00 51.32 H new ATOM 588 N SER A 38 -11.930 -16.332 6.458 1.00 52.35 N ATOM 589 CA SER A 38 -11.997 -14.910 6.110 1.00 52.40 C ATOM 590 C SER A 38 -10.843 -14.169 6.777 1.00 35.45 C ATOM 591 O SER A 38 -11.025 -13.145 7.436 1.00 1.23 O ATOM 592 CB SER A 38 -13.355 -14.313 6.500 1.00 53.45 C ATOM 593 OG SER A 38 -14.416 -15.014 5.867 1.00 51.45 O ATOM 0 H SER A 38 -11.681 -16.942 5.679 1.00 52.35 H new ATOM 0 HA SER A 38 -11.901 -14.799 5.030 1.00 52.40 H new ATOM 0 HB2 SER A 38 -13.479 -14.357 7.582 1.00 53.45 H new ATOM 0 HB3 SER A 38 -13.389 -13.261 6.218 1.00 53.45 H new ATOM 0 HG SER A 38 -15.273 -14.618 6.131 1.00 51.45 H new ATOM 599 N VAL A 39 -9.658 -14.729 6.561 1.00 41.32 N ATOM 600 CA VAL A 39 -8.429 -14.219 7.175 1.00 34.41 C ATOM 601 C VAL A 39 -8.233 -12.710 6.923 1.00 34.23 C ATOM 602 O VAL A 39 -7.897 -12.284 5.817 1.00 61.14 O ATOM 603 CB VAL A 39 -7.181 -15.010 6.703 1.00 71.03 C ATOM 604 CG1 VAL A 39 -7.180 -16.401 7.316 1.00 32.44 C ATOM 605 CG2 VAL A 39 -7.135 -15.108 5.180 1.00 71.42 C ATOM 0 H VAL A 39 -9.518 -15.542 5.961 1.00 41.32 H new ATOM 0 HA VAL A 39 -8.542 -14.365 8.249 1.00 34.41 H new ATOM 0 HB VAL A 39 -6.293 -14.472 7.036 1.00 71.03 H new ATOM 0 HG11 VAL A 39 -6.299 -16.947 6.978 1.00 32.44 H new ATOM 0 HG12 VAL A 39 -7.161 -16.320 8.403 1.00 32.44 H new ATOM 0 HG13 VAL A 39 -8.079 -16.935 7.008 1.00 32.44 H new ATOM 0 HG21 VAL A 39 -6.250 -15.668 4.878 1.00 71.42 H new ATOM 0 HG22 VAL A 39 -8.028 -15.620 4.821 1.00 71.42 H new ATOM 0 HG23 VAL A 39 -7.095 -14.106 4.752 1.00 71.42 H new ATOM 615 N ASN A 40 -8.544 -11.920 7.953 1.00 43.31 N ATOM 616 CA ASN A 40 -8.381 -10.460 7.910 1.00 0.04 C ATOM 617 C ASN A 40 -7.001 -10.058 7.370 1.00 22.23 C ATOM 618 O ASN A 40 -5.998 -10.735 7.619 1.00 54.52 O ATOM 619 CB ASN A 40 -8.603 -9.842 9.303 1.00 1.12 C ATOM 620 CG ASN A 40 -8.492 -8.322 9.297 1.00 44.03 C ATOM 621 OD1 ASN A 40 -7.405 -7.766 9.474 1.00 23.35 O ATOM 622 ND2 ASN A 40 -9.610 -7.646 9.105 1.00 33.43 N ATOM 0 H ASN A 40 -8.914 -12.269 8.837 1.00 43.31 H new ATOM 0 HA ASN A 40 -9.137 -10.072 7.227 1.00 0.04 H new ATOM 0 HB2 ASN A 40 -9.588 -10.129 9.670 1.00 1.12 H new ATOM 0 HB3 ASN A 40 -7.872 -10.253 9.999 1.00 1.12 H new ATOM 0 HD21 ASN A 40 -9.595 -6.626 9.099 1.00 33.43 H new ATOM 0 HD22 ASN A 40 -10.489 -8.144 8.962 1.00 33.43 H new ATOM 629 N PHE A 41 -6.976 -8.948 6.643 1.00 61.34 N ATOM 630 CA PHE A 41 -5.761 -8.424 6.015 1.00 71.01 C ATOM 631 C PHE A 41 -4.577 -8.368 6.993 1.00 3.15 C ATOM 632 O PHE A 41 -3.457 -8.712 6.633 1.00 0.11 O ATOM 633 CB PHE A 41 -6.043 -7.026 5.442 1.00 73.43 C ATOM 634 CG PHE A 41 -4.930 -6.455 4.601 1.00 1.35 C ATOM 635 CD1 PHE A 41 -4.846 -6.748 3.248 1.00 31.21 C ATOM 636 CD2 PHE A 41 -3.976 -5.615 5.160 1.00 3.12 C ATOM 637 CE1 PHE A 41 -3.834 -6.218 2.471 1.00 13.24 C ATOM 638 CE2 PHE A 41 -2.960 -5.084 4.387 1.00 21.13 C ATOM 639 CZ PHE A 41 -2.890 -5.385 3.040 1.00 55.20 C ATOM 0 H PHE A 41 -7.804 -8.378 6.469 1.00 61.34 H new ATOM 0 HA PHE A 41 -5.480 -9.106 5.212 1.00 71.01 H new ATOM 0 HB2 PHE A 41 -6.950 -7.071 4.839 1.00 73.43 H new ATOM 0 HB3 PHE A 41 -6.243 -6.343 6.268 1.00 73.43 H new ATOM 0 HD1 PHE A 41 -5.581 -7.398 2.796 1.00 31.21 H new ATOM 0 HD2 PHE A 41 -4.028 -5.374 6.211 1.00 3.12 H new ATOM 0 HE1 PHE A 41 -3.781 -6.455 1.419 1.00 13.24 H new ATOM 0 HE2 PHE A 41 -2.222 -4.435 4.835 1.00 21.13 H new ATOM 0 HZ PHE A 41 -2.099 -4.970 2.433 1.00 55.20 H new ATOM 649 N SER A 42 -4.836 -7.952 8.228 1.00 51.21 N ATOM 650 CA SER A 42 -3.773 -7.822 9.209 1.00 44.33 C ATOM 651 C SER A 42 -3.269 -9.191 9.700 1.00 60.40 C ATOM 652 O SER A 42 -2.060 -9.441 9.719 1.00 25.55 O ATOM 653 CB SER A 42 -4.234 -6.959 10.388 1.00 23.24 C ATOM 654 OG SER A 42 -3.148 -6.632 11.241 1.00 54.51 O ATOM 0 H SER A 42 -5.765 -7.702 8.568 1.00 51.21 H new ATOM 0 HA SER A 42 -2.935 -7.328 8.718 1.00 44.33 H new ATOM 0 HB2 SER A 42 -4.694 -6.044 10.014 1.00 23.24 H new ATOM 0 HB3 SER A 42 -4.998 -7.491 10.955 1.00 23.24 H new ATOM 0 HG SER A 42 -3.470 -6.080 11.984 1.00 54.51 H new ATOM 660 N GLU A 43 -4.188 -10.083 10.077 1.00 41.34 N ATOM 661 CA GLU A 43 -3.798 -11.406 10.589 1.00 54.41 C ATOM 662 C GLU A 43 -3.105 -12.238 9.507 1.00 41.03 C ATOM 663 O GLU A 43 -2.343 -13.156 9.803 1.00 75.34 O ATOM 664 CB GLU A 43 -5.002 -12.158 11.155 1.00 25.25 C ATOM 665 CG GLU A 43 -6.019 -12.584 10.120 1.00 23.24 C ATOM 666 CD GLU A 43 -7.193 -13.299 10.732 1.00 64.52 C ATOM 667 OE1 GLU A 43 -7.051 -14.492 11.078 1.00 44.21 O ATOM 668 OE2 GLU A 43 -8.261 -12.675 10.875 1.00 22.31 O ATOM 0 H GLU A 43 -5.194 -9.921 10.040 1.00 41.34 H new ATOM 0 HA GLU A 43 -3.087 -11.245 11.400 1.00 54.41 H new ATOM 0 HB2 GLU A 43 -4.646 -13.043 11.682 1.00 25.25 H new ATOM 0 HB3 GLU A 43 -5.496 -11.525 11.892 1.00 25.25 H new ATOM 0 HG2 GLU A 43 -6.373 -11.706 9.579 1.00 23.24 H new ATOM 0 HG3 GLU A 43 -5.540 -13.236 9.390 1.00 23.24 H new ATOM 675 N PHE A 44 -3.362 -11.896 8.269 1.00 42.14 N ATOM 676 CA PHE A 44 -2.706 -12.595 7.180 1.00 31.13 C ATOM 677 C PHE A 44 -1.488 -11.853 6.664 1.00 23.44 C ATOM 678 O PHE A 44 -0.722 -12.386 5.865 1.00 65.13 O ATOM 679 CB PHE A 44 -3.672 -12.934 6.055 1.00 34.24 C ATOM 680 CG PHE A 44 -3.325 -14.236 5.390 1.00 3.35 C ATOM 681 CD1 PHE A 44 -3.552 -15.436 6.042 1.00 21.52 C ATOM 682 CD2 PHE A 44 -2.758 -14.264 4.133 1.00 44.43 C ATOM 683 CE1 PHE A 44 -3.221 -16.636 5.452 1.00 2.10 C ATOM 684 CE2 PHE A 44 -2.425 -15.462 3.533 1.00 50.12 C ATOM 685 CZ PHE A 44 -2.657 -16.648 4.195 1.00 32.34 C ATOM 0 H PHE A 44 -4.005 -11.156 7.988 1.00 42.14 H new ATOM 0 HA PHE A 44 -2.348 -13.537 7.595 1.00 31.13 H new ATOM 0 HB2 PHE A 44 -4.686 -12.988 6.451 1.00 34.24 H new ATOM 0 HB3 PHE A 44 -3.661 -12.134 5.314 1.00 34.24 H new ATOM 0 HD1 PHE A 44 -3.995 -15.431 7.027 1.00 21.52 H new ATOM 0 HD2 PHE A 44 -2.572 -13.337 3.611 1.00 44.43 H new ATOM 0 HE1 PHE A 44 -3.403 -17.564 5.973 1.00 2.10 H new ATOM 0 HE2 PHE A 44 -1.984 -15.470 2.547 1.00 50.12 H new ATOM 0 HZ PHE A 44 -2.397 -17.587 3.729 1.00 32.34 H new ATOM 695 N SER A 45 -1.280 -10.652 7.155 1.00 42.10 N ATOM 696 CA SER A 45 -0.168 -9.841 6.695 1.00 21.31 C ATOM 697 C SER A 45 1.141 -10.472 7.140 1.00 75.10 C ATOM 698 O SER A 45 2.111 -10.529 6.384 1.00 32.24 O ATOM 699 CB SER A 45 -0.291 -8.408 7.232 1.00 53.11 C ATOM 700 OG SER A 45 0.685 -7.546 6.662 1.00 40.40 O ATOM 0 H SER A 45 -1.861 -10.214 7.870 1.00 42.10 H new ATOM 0 HA SER A 45 -0.185 -9.795 5.606 1.00 21.31 H new ATOM 0 HB2 SER A 45 -1.287 -8.023 7.015 1.00 53.11 H new ATOM 0 HB3 SER A 45 -0.181 -8.415 8.316 1.00 53.11 H new ATOM 0 HG SER A 45 0.576 -6.643 7.026 1.00 40.40 H new ATOM 706 N LYS A 46 1.141 -10.996 8.357 1.00 13.22 N ATOM 707 CA LYS A 46 2.323 -11.620 8.916 1.00 63.44 C ATOM 708 C LYS A 46 2.616 -12.979 8.269 1.00 14.24 C ATOM 709 O LYS A 46 3.744 -13.461 8.319 1.00 14.24 O ATOM 710 CB LYS A 46 2.216 -11.723 10.450 1.00 53.53 C ATOM 711 CG LYS A 46 0.960 -12.422 10.976 1.00 72.31 C ATOM 712 CD LYS A 46 1.116 -13.932 11.003 1.00 72.20 C ATOM 713 CE LYS A 46 -0.069 -14.597 11.674 1.00 30.13 C ATOM 714 NZ LYS A 46 0.126 -16.060 11.824 1.00 43.50 N ATOM 0 H LYS A 46 0.330 -10.999 8.976 1.00 13.22 H new ATOM 0 HA LYS A 46 3.174 -10.979 8.686 1.00 63.44 H new ATOM 0 HB2 LYS A 46 3.091 -12.256 10.823 1.00 53.53 H new ATOM 0 HB3 LYS A 46 2.253 -10.717 10.868 1.00 53.53 H new ATOM 0 HG2 LYS A 46 0.740 -12.063 11.981 1.00 72.31 H new ATOM 0 HG3 LYS A 46 0.109 -12.157 10.349 1.00 72.31 H new ATOM 0 HD2 LYS A 46 1.218 -14.307 9.985 1.00 72.20 H new ATOM 0 HD3 LYS A 46 2.031 -14.196 11.533 1.00 72.20 H new ATOM 0 HE2 LYS A 46 -0.228 -14.150 12.655 1.00 30.13 H new ATOM 0 HE3 LYS A 46 -0.969 -14.409 11.089 1.00 30.13 H new ATOM 0 HZ1 LYS A 46 -0.707 -16.476 12.287 1.00 43.50 H new ATOM 0 HZ2 LYS A 46 0.252 -16.491 10.886 1.00 43.50 H new ATOM 0 HZ3 LYS A 46 0.970 -16.240 12.404 1.00 43.50 H new ATOM 728 N LYS A 47 1.601 -13.604 7.675 1.00 51.33 N ATOM 729 CA LYS A 47 1.800 -14.867 6.975 1.00 31.01 C ATOM 730 C LYS A 47 2.262 -14.573 5.544 1.00 14.22 C ATOM 731 O LYS A 47 3.078 -15.296 4.967 1.00 32.34 O ATOM 732 CB LYS A 47 0.487 -15.666 6.974 1.00 23.54 C ATOM 733 CG LYS A 47 0.666 -17.179 7.024 1.00 24.31 C ATOM 734 CD LYS A 47 1.117 -17.758 5.696 1.00 2.33 C ATOM 735 CE LYS A 47 1.421 -19.244 5.817 1.00 2.52 C ATOM 736 NZ LYS A 47 0.275 -20.005 6.376 1.00 54.54 N ATOM 0 H LYS A 47 0.641 -13.259 7.665 1.00 51.33 H new ATOM 0 HA LYS A 47 2.562 -15.463 7.477 1.00 31.01 H new ATOM 0 HB2 LYS A 47 -0.113 -15.356 7.830 1.00 23.54 H new ATOM 0 HB3 LYS A 47 -0.079 -15.409 6.078 1.00 23.54 H new ATOM 0 HG2 LYS A 47 1.398 -17.429 7.792 1.00 24.31 H new ATOM 0 HG3 LYS A 47 -0.276 -17.643 7.317 1.00 24.31 H new ATOM 0 HD2 LYS A 47 0.341 -17.603 4.947 1.00 2.33 H new ATOM 0 HD3 LYS A 47 2.005 -17.230 5.349 1.00 2.33 H new ATOM 0 HE2 LYS A 47 1.676 -19.643 4.835 1.00 2.52 H new ATOM 0 HE3 LYS A 47 2.294 -19.384 6.454 1.00 2.52 H new ATOM 0 HZ1 LYS A 47 0.450 -21.025 6.269 1.00 54.54 H new ATOM 0 HZ2 LYS A 47 0.165 -19.776 7.385 1.00 54.54 H new ATOM 0 HZ3 LYS A 47 -0.594 -19.748 5.866 1.00 54.54 H new ATOM 750 N CYS A 48 1.719 -13.512 4.991 1.00 73.01 N ATOM 751 CA CYS A 48 2.137 -13.056 3.675 1.00 43.44 C ATOM 752 C CYS A 48 3.602 -12.645 3.661 1.00 65.40 C ATOM 753 O CYS A 48 4.328 -13.008 2.751 1.00 43.45 O ATOM 754 CB CYS A 48 1.247 -11.928 3.157 1.00 71.24 C ATOM 755 SG CYS A 48 -0.446 -12.457 2.719 1.00 25.15 S ATOM 0 H CYS A 48 0.989 -12.947 5.426 1.00 73.01 H new ATOM 0 HA CYS A 48 2.024 -13.902 2.997 1.00 43.44 H new ATOM 0 HB2 CYS A 48 1.188 -11.148 3.916 1.00 71.24 H new ATOM 0 HB3 CYS A 48 1.716 -11.483 2.279 1.00 71.24 H new ATOM 760 N SER A 49 4.029 -11.891 4.669 1.00 12.20 N ATOM 761 CA SER A 49 5.423 -11.448 4.751 1.00 55.22 C ATOM 762 C SER A 49 6.400 -12.638 4.670 1.00 21.42 C ATOM 763 O SER A 49 7.429 -12.564 3.993 1.00 35.02 O ATOM 764 CB SER A 49 5.654 -10.648 6.034 1.00 30.11 C ATOM 765 OG SER A 49 5.244 -11.378 7.172 1.00 73.10 O ATOM 0 H SER A 49 3.437 -11.574 5.437 1.00 12.20 H new ATOM 0 HA SER A 49 5.619 -10.802 3.895 1.00 55.22 H new ATOM 0 HB2 SER A 49 6.710 -10.395 6.122 1.00 30.11 H new ATOM 0 HB3 SER A 49 5.104 -9.708 5.984 1.00 30.11 H new ATOM 0 HG SER A 49 5.404 -10.844 7.978 1.00 73.10 H new ATOM 771 N GLU A 50 6.057 -13.734 5.345 1.00 22.04 N ATOM 772 CA GLU A 50 6.887 -14.942 5.333 1.00 40.52 C ATOM 773 C GLU A 50 6.978 -15.520 3.926 1.00 73.44 C ATOM 774 O GLU A 50 8.048 -15.929 3.471 1.00 25.31 O ATOM 775 CB GLU A 50 6.308 -15.988 6.283 1.00 61.52 C ATOM 776 CG GLU A 50 6.256 -15.539 7.727 1.00 14.23 C ATOM 777 CD GLU A 50 7.619 -15.173 8.260 1.00 53.03 C ATOM 778 OE1 GLU A 50 8.356 -16.080 8.682 1.00 44.10 O ATOM 779 OE2 GLU A 50 7.962 -13.978 8.263 1.00 73.43 O ATOM 0 H GLU A 50 5.210 -13.812 5.908 1.00 22.04 H new ATOM 0 HA GLU A 50 7.889 -14.670 5.665 1.00 40.52 H new ATOM 0 HB2 GLU A 50 5.301 -16.245 5.956 1.00 61.52 H new ATOM 0 HB3 GLU A 50 6.906 -16.897 6.216 1.00 61.52 H new ATOM 0 HG2 GLU A 50 5.591 -14.680 7.815 1.00 14.23 H new ATOM 0 HG3 GLU A 50 5.831 -16.335 8.338 1.00 14.23 H new ATOM 786 N ARG A 51 5.853 -15.520 3.242 1.00 75.12 N ATOM 787 CA ARG A 51 5.774 -16.032 1.880 1.00 64.42 C ATOM 788 C ARG A 51 6.443 -15.057 0.909 1.00 24.43 C ATOM 789 O ARG A 51 7.030 -15.457 -0.085 1.00 1.13 O ATOM 790 CB ARG A 51 4.307 -16.256 1.512 1.00 24.04 C ATOM 791 CG ARG A 51 4.065 -16.758 0.102 1.00 33.11 C ATOM 792 CD ARG A 51 2.582 -16.985 -0.124 1.00 63.35 C ATOM 793 NE ARG A 51 2.245 -17.165 -1.531 1.00 12.52 N ATOM 794 CZ ARG A 51 1.057 -16.853 -2.054 1.00 0.44 C ATOM 795 NH1 ARG A 51 0.097 -16.354 -1.284 1.00 44.33 N ATOM 796 NH2 ARG A 51 0.823 -17.042 -3.345 1.00 24.14 N ATOM 0 H ARG A 51 4.968 -15.168 3.608 1.00 75.12 H new ATOM 0 HA ARG A 51 6.303 -16.983 1.813 1.00 64.42 H new ATOM 0 HB2 ARG A 51 3.878 -16.971 2.214 1.00 24.04 H new ATOM 0 HB3 ARG A 51 3.768 -15.318 1.644 1.00 24.04 H new ATOM 0 HG2 ARG A 51 4.444 -16.035 -0.620 1.00 33.11 H new ATOM 0 HG3 ARG A 51 4.612 -17.687 -0.060 1.00 33.11 H new ATOM 0 HD2 ARG A 51 2.264 -17.864 0.436 1.00 63.35 H new ATOM 0 HD3 ARG A 51 2.025 -16.136 0.272 1.00 63.35 H new ATOM 0 HE ARG A 51 2.957 -17.551 -2.151 1.00 12.52 H new ATOM 0 HH11 ARG A 51 0.266 -16.208 -0.289 1.00 44.33 H new ATOM 0 HH12 ARG A 51 -0.809 -16.117 -1.688 1.00 44.33 H new ATOM 0 HH21 ARG A 51 1.553 -17.428 -3.944 1.00 24.14 H new ATOM 0 HH22 ARG A 51 -0.087 -16.802 -3.739 1.00 24.14 H new ATOM 810 N TRP A 52 6.366 -13.814 1.236 1.00 64.02 N ATOM 811 CA TRP A 52 6.960 -12.755 0.429 1.00 42.12 C ATOM 812 C TRP A 52 8.478 -12.906 0.410 1.00 53.50 C ATOM 813 O TRP A 52 9.107 -12.841 -0.643 1.00 4.34 O ATOM 814 CB TRP A 52 6.561 -11.376 0.983 1.00 53.03 C ATOM 815 CG TRP A 52 7.266 -10.215 0.332 1.00 52.23 C ATOM 816 CD1 TRP A 52 8.218 -9.418 0.899 1.00 41.44 C ATOM 817 CD2 TRP A 52 7.075 -9.722 -1.004 1.00 64.34 C ATOM 818 NE1 TRP A 52 8.626 -8.460 0.006 1.00 43.11 N ATOM 819 CE2 TRP A 52 7.942 -8.625 -1.170 1.00 35.33 C ATOM 820 CE3 TRP A 52 6.258 -10.099 -2.072 1.00 1.04 C ATOM 821 CZ2 TRP A 52 8.014 -7.903 -2.359 1.00 41.01 C ATOM 822 CZ3 TRP A 52 6.331 -9.383 -3.252 1.00 63.11 C ATOM 823 CH2 TRP A 52 7.202 -8.296 -3.386 1.00 13.22 C ATOM 0 H TRP A 52 5.890 -13.480 2.074 1.00 64.02 H new ATOM 0 HA TRP A 52 6.588 -12.835 -0.592 1.00 42.12 H new ATOM 0 HB2 TRP A 52 5.486 -11.247 0.861 1.00 53.03 H new ATOM 0 HB3 TRP A 52 6.765 -11.355 2.053 1.00 53.03 H new ATOM 0 HD1 TRP A 52 8.595 -9.526 1.905 1.00 41.44 H new ATOM 0 HE1 TRP A 52 9.326 -7.741 0.188 1.00 43.11 H new ATOM 0 HE3 TRP A 52 5.581 -10.935 -1.978 1.00 1.04 H new ATOM 0 HZ2 TRP A 52 8.686 -7.064 -2.465 1.00 41.01 H new ATOM 0 HZ3 TRP A 52 5.705 -9.667 -4.085 1.00 63.11 H new ATOM 0 HH2 TRP A 52 7.233 -7.756 -4.321 1.00 13.22 H new ATOM 834 N LYS A 53 9.049 -13.140 1.580 1.00 50.22 N ATOM 835 CA LYS A 53 10.490 -13.289 1.721 1.00 74.45 C ATOM 836 C LYS A 53 10.989 -14.618 1.149 1.00 31.41 C ATOM 837 O LYS A 53 12.138 -14.721 0.709 1.00 21.51 O ATOM 838 CB LYS A 53 10.893 -13.163 3.192 1.00 3.54 C ATOM 839 CG LYS A 53 10.658 -11.775 3.771 1.00 61.24 C ATOM 840 CD LYS A 53 10.908 -11.733 5.274 1.00 42.20 C ATOM 841 CE LYS A 53 9.880 -12.559 6.035 1.00 24.04 C ATOM 842 NZ LYS A 53 9.977 -12.358 7.502 1.00 43.31 N ATOM 0 H LYS A 53 8.532 -13.232 2.454 1.00 50.22 H new ATOM 0 HA LYS A 53 10.959 -12.489 1.147 1.00 74.45 H new ATOM 0 HB2 LYS A 53 10.332 -13.892 3.777 1.00 3.54 H new ATOM 0 HB3 LYS A 53 11.948 -13.416 3.294 1.00 3.54 H new ATOM 0 HG2 LYS A 53 11.313 -11.059 3.274 1.00 61.24 H new ATOM 0 HG3 LYS A 53 9.633 -11.465 3.565 1.00 61.24 H new ATOM 0 HD2 LYS A 53 11.909 -12.109 5.488 1.00 42.20 H new ATOM 0 HD3 LYS A 53 10.875 -10.700 5.621 1.00 42.20 H new ATOM 0 HE2 LYS A 53 8.879 -12.290 5.698 1.00 24.04 H new ATOM 0 HE3 LYS A 53 10.021 -13.615 5.804 1.00 24.04 H new ATOM 0 HZ1 LYS A 53 9.294 -12.977 7.983 1.00 43.31 H new ATOM 0 HZ2 LYS A 53 10.939 -12.590 7.821 1.00 43.31 H new ATOM 0 HZ3 LYS A 53 9.766 -11.366 7.731 1.00 43.31 H new ATOM 856 N THR A 54 10.131 -15.625 1.138 1.00 54.32 N ATOM 857 CA THR A 54 10.523 -16.937 0.650 1.00 23.52 C ATOM 858 C THR A 54 10.338 -17.079 -0.865 1.00 4.22 C ATOM 859 O THR A 54 10.811 -18.050 -1.468 1.00 42.10 O ATOM 860 CB THR A 54 9.774 -18.066 1.383 1.00 74.43 C ATOM 861 OG1 THR A 54 8.387 -17.734 1.506 1.00 24.21 O ATOM 862 CG2 THR A 54 10.368 -18.297 2.765 1.00 64.22 C ATOM 0 H THR A 54 9.165 -15.560 1.459 1.00 54.32 H new ATOM 0 HA THR A 54 11.588 -17.031 0.865 1.00 23.52 H new ATOM 0 HB THR A 54 9.878 -18.981 0.800 1.00 74.43 H new ATOM 0 HG1 THR A 54 8.224 -17.332 2.385 1.00 24.21 H new ATOM 0 HG21 THR A 54 9.824 -19.098 3.265 1.00 64.22 H new ATOM 0 HG22 THR A 54 11.417 -18.576 2.668 1.00 64.22 H new ATOM 0 HG23 THR A 54 10.288 -17.382 3.353 1.00 64.22 H new ATOM 870 N MET A 55 9.658 -16.121 -1.482 1.00 22.24 N ATOM 871 CA MET A 55 9.475 -16.149 -2.929 1.00 42.40 C ATOM 872 C MET A 55 10.681 -15.559 -3.627 1.00 42.31 C ATOM 873 O MET A 55 11.376 -14.702 -3.076 1.00 22.51 O ATOM 874 CB MET A 55 8.220 -15.397 -3.366 1.00 21.15 C ATOM 875 CG MET A 55 6.914 -16.073 -2.996 1.00 24.42 C ATOM 876 SD MET A 55 5.497 -15.345 -3.849 1.00 10.41 S ATOM 877 CE MET A 55 5.779 -13.598 -3.546 1.00 12.13 C ATOM 0 H MET A 55 9.229 -15.324 -1.011 1.00 22.24 H new ATOM 0 HA MET A 55 9.358 -17.195 -3.213 1.00 42.40 H new ATOM 0 HB2 MET A 55 8.236 -14.402 -2.922 1.00 21.15 H new ATOM 0 HB3 MET A 55 8.251 -15.264 -4.447 1.00 21.15 H new ATOM 0 HG2 MET A 55 6.975 -17.134 -3.239 1.00 24.42 H new ATOM 0 HG3 MET A 55 6.763 -16.001 -1.919 1.00 24.42 H new ATOM 0 HE1 MET A 55 4.994 -13.014 -4.027 1.00 12.13 H new ATOM 0 HE2 MET A 55 5.767 -13.408 -2.473 1.00 12.13 H new ATOM 0 HE3 MET A 55 6.748 -13.310 -3.954 1.00 12.13 H new ATOM 887 N SER A 56 10.929 -16.020 -4.829 1.00 25.34 N ATOM 888 CA SER A 56 12.044 -15.543 -5.610 1.00 72.15 C ATOM 889 C SER A 56 11.681 -14.253 -6.359 1.00 61.22 C ATOM 890 O SER A 56 10.512 -13.847 -6.384 1.00 2.12 O ATOM 891 CB SER A 56 12.471 -16.630 -6.582 1.00 1.30 C ATOM 892 OG SER A 56 12.716 -17.847 -5.891 1.00 11.40 O ATOM 0 H SER A 56 10.366 -16.734 -5.292 1.00 25.34 H new ATOM 0 HA SER A 56 12.873 -15.309 -4.943 1.00 72.15 H new ATOM 0 HB2 SER A 56 11.695 -16.781 -7.332 1.00 1.30 H new ATOM 0 HB3 SER A 56 13.371 -16.319 -7.113 1.00 1.30 H new ATOM 0 HG SER A 56 12.988 -18.537 -6.531 1.00 11.40 H new ATOM 898 N ALA A 57 12.688 -13.629 -6.974 1.00 62.31 N ATOM 899 CA ALA A 57 12.498 -12.368 -7.704 1.00 62.34 C ATOM 900 C ALA A 57 11.423 -12.489 -8.777 1.00 61.02 C ATOM 901 O ALA A 57 10.679 -11.544 -9.024 1.00 64.40 O ATOM 902 CB ALA A 57 13.808 -11.907 -8.322 1.00 1.20 C ATOM 0 H ALA A 57 13.647 -13.976 -6.982 1.00 62.31 H new ATOM 0 HA ALA A 57 12.162 -11.623 -6.983 1.00 62.34 H new ATOM 0 HB1 ALA A 57 13.648 -10.972 -8.859 1.00 1.20 H new ATOM 0 HB2 ALA A 57 14.547 -11.752 -7.536 1.00 1.20 H new ATOM 0 HB3 ALA A 57 14.170 -12.666 -9.016 1.00 1.20 H new ATOM 908 N LYS A 58 11.332 -13.659 -9.392 1.00 53.10 N ATOM 909 CA LYS A 58 10.341 -13.918 -10.431 1.00 70.41 C ATOM 910 C LYS A 58 8.918 -13.712 -9.903 1.00 44.34 C ATOM 911 O LYS A 58 8.055 -13.176 -10.602 1.00 5.52 O ATOM 912 CB LYS A 58 10.515 -15.353 -10.972 1.00 4.32 C ATOM 913 CG LYS A 58 9.305 -15.913 -11.718 1.00 54.03 C ATOM 914 CD LYS A 58 8.963 -15.106 -12.959 1.00 64.04 C ATOM 915 CE LYS A 58 7.640 -15.562 -13.555 1.00 31.41 C ATOM 916 NZ LYS A 58 6.511 -15.398 -12.593 1.00 62.24 N ATOM 0 H LYS A 58 11.939 -14.453 -9.188 1.00 53.10 H new ATOM 0 HA LYS A 58 10.499 -13.208 -11.243 1.00 70.41 H new ATOM 0 HB2 LYS A 58 11.376 -15.371 -11.641 1.00 4.32 H new ATOM 0 HB3 LYS A 58 10.746 -16.014 -10.137 1.00 4.32 H new ATOM 0 HG2 LYS A 58 9.504 -16.946 -12.004 1.00 54.03 H new ATOM 0 HG3 LYS A 58 8.444 -15.927 -11.049 1.00 54.03 H new ATOM 0 HD2 LYS A 58 8.907 -14.047 -12.705 1.00 64.04 H new ATOM 0 HD3 LYS A 58 9.756 -15.215 -13.699 1.00 64.04 H new ATOM 0 HE2 LYS A 58 7.433 -14.990 -14.459 1.00 31.41 H new ATOM 0 HE3 LYS A 58 7.716 -16.608 -13.850 1.00 31.41 H new ATOM 0 HZ1 LYS A 58 5.608 -15.540 -13.090 1.00 62.24 H new ATOM 0 HZ2 LYS A 58 6.601 -16.099 -11.830 1.00 62.24 H new ATOM 0 HZ3 LYS A 58 6.536 -14.440 -12.188 1.00 62.24 H new ATOM 930 N GLU A 59 8.688 -14.109 -8.672 1.00 14.15 N ATOM 931 CA GLU A 59 7.366 -14.019 -8.087 1.00 40.34 C ATOM 932 C GLU A 59 7.142 -12.679 -7.402 1.00 14.05 C ATOM 933 O GLU A 59 6.021 -12.337 -7.050 1.00 12.00 O ATOM 934 CB GLU A 59 7.136 -15.169 -7.122 1.00 2.05 C ATOM 935 CG GLU A 59 7.188 -16.531 -7.790 1.00 11.34 C ATOM 936 CD GLU A 59 6.171 -16.671 -8.905 1.00 32.20 C ATOM 937 OE1 GLU A 59 4.993 -16.957 -8.608 1.00 52.23 O ATOM 938 OE2 GLU A 59 6.544 -16.504 -10.088 1.00 55.12 O ATOM 0 H GLU A 59 9.400 -14.498 -8.054 1.00 14.15 H new ATOM 0 HA GLU A 59 6.638 -14.092 -8.895 1.00 40.34 H new ATOM 0 HB2 GLU A 59 7.888 -15.129 -6.334 1.00 2.05 H new ATOM 0 HB3 GLU A 59 6.165 -15.044 -6.643 1.00 2.05 H new ATOM 0 HG2 GLU A 59 8.188 -16.697 -8.192 1.00 11.34 H new ATOM 0 HG3 GLU A 59 7.012 -17.305 -7.043 1.00 11.34 H new ATOM 945 N LYS A 60 8.208 -11.922 -7.222 1.00 10.31 N ATOM 946 CA LYS A 60 8.112 -10.603 -6.617 1.00 11.34 C ATOM 947 C LYS A 60 7.924 -9.545 -7.686 1.00 72.50 C ATOM 948 O LYS A 60 7.080 -8.654 -7.552 1.00 64.32 O ATOM 949 CB LYS A 60 9.373 -10.282 -5.815 1.00 75.30 C ATOM 950 CG LYS A 60 9.585 -11.147 -4.590 1.00 32.43 C ATOM 951 CD LYS A 60 10.836 -10.719 -3.844 1.00 11.55 C ATOM 952 CE LYS A 60 11.017 -11.505 -2.563 1.00 44.25 C ATOM 953 NZ LYS A 60 12.221 -11.072 -1.818 1.00 74.51 N ATOM 0 H LYS A 60 9.154 -12.197 -7.486 1.00 10.31 H new ATOM 0 HA LYS A 60 7.252 -10.604 -5.948 1.00 11.34 H new ATOM 0 HB2 LYS A 60 10.239 -10.385 -6.469 1.00 75.30 H new ATOM 0 HB3 LYS A 60 9.332 -9.238 -5.503 1.00 75.30 H new ATOM 0 HG2 LYS A 60 8.719 -11.073 -3.932 1.00 32.43 H new ATOM 0 HG3 LYS A 60 9.672 -12.192 -4.887 1.00 32.43 H new ATOM 0 HD2 LYS A 60 11.707 -10.859 -4.484 1.00 11.55 H new ATOM 0 HD3 LYS A 60 10.777 -9.655 -3.614 1.00 11.55 H new ATOM 0 HE2 LYS A 60 10.136 -11.382 -1.933 1.00 44.25 H new ATOM 0 HE3 LYS A 60 11.096 -12.567 -2.796 1.00 44.25 H new ATOM 0 HZ1 LYS A 60 12.311 -11.633 -0.947 1.00 74.51 H new ATOM 0 HZ2 LYS A 60 13.065 -11.213 -2.409 1.00 74.51 H new ATOM 0 HZ3 LYS A 60 12.134 -10.065 -1.573 1.00 74.51 H new ATOM 967 N GLY A 61 8.703 -9.673 -8.759 1.00 14.35 N ATOM 968 CA GLY A 61 8.696 -8.712 -9.851 1.00 4.44 C ATOM 969 C GLY A 61 7.319 -8.395 -10.384 1.00 41.21 C ATOM 970 O GLY A 61 7.066 -7.277 -10.806 1.00 22.15 O ATOM 0 H GLY A 61 9.355 -10.446 -8.892 1.00 14.35 H new ATOM 0 HA2 GLY A 61 9.164 -7.788 -9.511 1.00 4.44 H new ATOM 0 HA3 GLY A 61 9.309 -9.099 -10.665 1.00 4.44 H new ATOM 974 N LYS A 62 6.428 -9.371 -10.358 1.00 64.45 N ATOM 975 CA LYS A 62 5.074 -9.177 -10.852 1.00 72.41 C ATOM 976 C LYS A 62 4.300 -8.163 -9.994 1.00 55.33 C ATOM 977 O LYS A 62 3.581 -7.311 -10.521 1.00 14.02 O ATOM 978 CB LYS A 62 4.338 -10.518 -10.932 1.00 34.42 C ATOM 979 CG LYS A 62 4.315 -11.300 -9.624 1.00 72.34 C ATOM 980 CD LYS A 62 3.813 -12.720 -9.830 1.00 14.11 C ATOM 981 CE LYS A 62 2.432 -12.738 -10.456 1.00 13.52 C ATOM 982 NZ LYS A 62 1.957 -14.115 -10.708 1.00 41.54 N ATOM 0 H LYS A 62 6.617 -10.307 -10.000 1.00 64.45 H new ATOM 0 HA LYS A 62 5.137 -8.762 -11.858 1.00 72.41 H new ATOM 0 HB2 LYS A 62 3.312 -10.337 -11.252 1.00 34.42 H new ATOM 0 HB3 LYS A 62 4.808 -11.132 -11.700 1.00 34.42 H new ATOM 0 HG2 LYS A 62 5.318 -11.326 -9.197 1.00 72.34 H new ATOM 0 HG3 LYS A 62 3.676 -10.788 -8.905 1.00 72.34 H new ATOM 0 HD2 LYS A 62 4.510 -13.264 -10.468 1.00 14.11 H new ATOM 0 HD3 LYS A 62 3.786 -13.240 -8.872 1.00 14.11 H new ATOM 0 HE2 LYS A 62 1.729 -12.226 -9.798 1.00 13.52 H new ATOM 0 HE3 LYS A 62 2.452 -12.184 -11.394 1.00 13.52 H new ATOM 0 HZ1 LYS A 62 1.010 -14.083 -11.136 1.00 41.54 H new ATOM 0 HZ2 LYS A 62 2.614 -14.596 -11.356 1.00 41.54 H new ATOM 0 HZ3 LYS A 62 1.913 -14.637 -9.810 1.00 41.54 H new ATOM 996 N PHE A 63 4.471 -8.243 -8.680 1.00 51.43 N ATOM 997 CA PHE A 63 3.810 -7.315 -7.767 1.00 20.34 C ATOM 998 C PHE A 63 4.559 -5.995 -7.753 1.00 55.14 C ATOM 999 O PHE A 63 3.960 -4.920 -7.698 1.00 62.55 O ATOM 1000 CB PHE A 63 3.735 -7.902 -6.352 1.00 12.32 C ATOM 1001 CG PHE A 63 2.932 -9.171 -6.269 1.00 72.22 C ATOM 1002 CD1 PHE A 63 1.550 -9.127 -6.210 1.00 1.14 C ATOM 1003 CD2 PHE A 63 3.558 -10.405 -6.253 1.00 21.42 C ATOM 1004 CE1 PHE A 63 0.806 -10.288 -6.138 1.00 51.21 C ATOM 1005 CE2 PHE A 63 2.821 -11.572 -6.182 1.00 24.32 C ATOM 1006 CZ PHE A 63 1.443 -11.512 -6.123 1.00 60.21 C ATOM 0 H PHE A 63 5.060 -8.939 -8.222 1.00 51.43 H new ATOM 0 HA PHE A 63 2.791 -7.146 -8.115 1.00 20.34 H new ATOM 0 HB2 PHE A 63 4.746 -8.098 -5.995 1.00 12.32 H new ATOM 0 HB3 PHE A 63 3.298 -7.161 -5.683 1.00 12.32 H new ATOM 0 HD1 PHE A 63 1.047 -8.172 -6.220 1.00 1.14 H new ATOM 0 HD2 PHE A 63 4.636 -10.457 -6.297 1.00 21.42 H new ATOM 0 HE1 PHE A 63 -0.272 -10.238 -6.094 1.00 51.21 H new ATOM 0 HE2 PHE A 63 3.322 -12.529 -6.173 1.00 24.32 H new ATOM 0 HZ PHE A 63 0.864 -12.422 -6.065 1.00 60.21 H new ATOM 1016 N GLU A 64 5.875 -6.096 -7.845 1.00 22.12 N ATOM 1017 CA GLU A 64 6.762 -4.940 -7.889 1.00 0.23 C ATOM 1018 C GLU A 64 6.600 -4.174 -9.204 1.00 22.13 C ATOM 1019 O GLU A 64 7.140 -3.079 -9.367 1.00 54.44 O ATOM 1020 CB GLU A 64 8.219 -5.364 -7.697 1.00 31.42 C ATOM 1021 CG GLU A 64 8.487 -6.063 -6.372 1.00 2.53 C ATOM 1022 CD GLU A 64 9.946 -6.404 -6.178 1.00 3.45 C ATOM 1023 OE1 GLU A 64 10.408 -7.407 -6.750 1.00 72.05 O ATOM 1024 OE2 GLU A 64 10.644 -5.658 -5.455 1.00 50.03 O ATOM 0 H GLU A 64 6.364 -6.990 -7.892 1.00 22.12 H new ATOM 0 HA GLU A 64 6.485 -4.277 -7.070 1.00 0.23 H new ATOM 0 HB2 GLU A 64 8.504 -6.029 -8.512 1.00 31.42 H new ATOM 0 HB3 GLU A 64 8.856 -4.482 -7.767 1.00 31.42 H new ATOM 0 HG2 GLU A 64 8.156 -5.423 -5.554 1.00 2.53 H new ATOM 0 HG3 GLU A 64 7.895 -6.977 -6.321 1.00 2.53 H new ATOM 1031 N ASP A 65 5.853 -4.753 -10.137 1.00 74.22 N ATOM 1032 CA ASP A 65 5.656 -4.162 -11.451 1.00 22.45 C ATOM 1033 C ASP A 65 4.349 -3.395 -11.465 1.00 40.51 C ATOM 1034 O ASP A 65 4.241 -2.331 -12.073 1.00 13.42 O ATOM 1035 CB ASP A 65 5.627 -5.252 -12.526 1.00 40.12 C ATOM 1036 CG ASP A 65 5.142 -4.746 -13.865 1.00 33.33 C ATOM 1037 OD1 ASP A 65 5.954 -4.175 -14.620 1.00 11.31 O ATOM 1038 OD2 ASP A 65 3.944 -4.935 -14.178 1.00 44.50 O ATOM 0 H ASP A 65 5.370 -5.641 -10.003 1.00 74.22 H new ATOM 0 HA ASP A 65 6.482 -3.484 -11.664 1.00 22.45 H new ATOM 0 HB2 ASP A 65 6.628 -5.668 -12.641 1.00 40.12 H new ATOM 0 HB3 ASP A 65 4.981 -6.065 -12.195 1.00 40.12 H new ATOM 1043 N MET A 66 3.356 -3.932 -10.756 1.00 1.42 N ATOM 1044 CA MET A 66 2.047 -3.302 -10.670 1.00 21.22 C ATOM 1045 C MET A 66 2.160 -1.952 -9.989 1.00 11.11 C ATOM 1046 O MET A 66 1.416 -1.025 -10.293 1.00 60.31 O ATOM 1047 CB MET A 66 1.052 -4.191 -9.917 1.00 43.23 C ATOM 1048 CG MET A 66 0.690 -5.476 -10.650 1.00 42.40 C ATOM 1049 SD MET A 66 -0.716 -6.334 -9.906 1.00 30.04 S ATOM 1050 CE MET A 66 -0.081 -6.702 -8.273 1.00 44.51 C ATOM 0 H MET A 66 3.438 -4.804 -10.233 1.00 1.42 H new ATOM 0 HA MET A 66 1.674 -3.161 -11.684 1.00 21.22 H new ATOM 0 HB2 MET A 66 1.473 -4.446 -8.944 1.00 43.23 H new ATOM 0 HB3 MET A 66 0.141 -3.622 -9.731 1.00 43.23 H new ATOM 0 HG2 MET A 66 0.459 -5.243 -11.690 1.00 42.40 H new ATOM 0 HG3 MET A 66 1.554 -6.141 -10.656 1.00 42.40 H new ATOM 0 HE1 MET A 66 -0.874 -7.136 -7.664 1.00 44.51 H new ATOM 0 HE2 MET A 66 0.743 -7.411 -8.354 1.00 44.51 H new ATOM 0 HE3 MET A 66 0.275 -5.784 -7.806 1.00 44.51 H new ATOM 1060 N ALA A 67 3.117 -1.845 -9.080 1.00 63.44 N ATOM 1061 CA ALA A 67 3.371 -0.603 -8.373 1.00 64.52 C ATOM 1062 C ALA A 67 3.836 0.484 -9.341 1.00 72.44 C ATOM 1063 O ALA A 67 3.633 1.672 -9.097 1.00 24.44 O ATOM 1064 CB ALA A 67 4.405 -0.820 -7.279 1.00 52.02 C ATOM 0 H ALA A 67 3.735 -2.612 -8.814 1.00 63.44 H new ATOM 0 HA ALA A 67 2.440 -0.273 -7.911 1.00 64.52 H new ATOM 0 HB1 ALA A 67 4.585 0.120 -6.757 1.00 52.02 H new ATOM 0 HB2 ALA A 67 4.036 -1.563 -6.572 1.00 52.02 H new ATOM 0 HB3 ALA A 67 5.336 -1.173 -7.723 1.00 52.02 H new ATOM 1070 N LYS A 68 4.440 0.065 -10.451 1.00 40.32 N ATOM 1071 CA LYS A 68 4.939 0.995 -11.455 1.00 65.02 C ATOM 1072 C LYS A 68 3.807 1.503 -12.346 1.00 75.44 C ATOM 1073 O LYS A 68 3.938 2.529 -12.999 1.00 42.31 O ATOM 1074 CB LYS A 68 6.031 0.338 -12.300 1.00 21.23 C ATOM 1075 CG LYS A 68 7.268 -0.052 -11.501 1.00 61.20 C ATOM 1076 CD LYS A 68 8.322 -0.717 -12.376 1.00 22.43 C ATOM 1077 CE LYS A 68 8.761 0.193 -13.515 1.00 73.34 C ATOM 1078 NZ LYS A 68 9.845 -0.413 -14.323 1.00 3.55 N ATOM 0 H LYS A 68 4.595 -0.918 -10.676 1.00 40.32 H new ATOM 0 HA LYS A 68 5.369 1.851 -10.935 1.00 65.02 H new ATOM 0 HB2 LYS A 68 5.622 -0.552 -12.779 1.00 21.23 H new ATOM 0 HB3 LYS A 68 6.324 1.022 -13.096 1.00 21.23 H new ATOM 0 HG2 LYS A 68 7.693 0.836 -11.032 1.00 61.20 H new ATOM 0 HG3 LYS A 68 6.982 -0.731 -10.697 1.00 61.20 H new ATOM 0 HD2 LYS A 68 9.187 -0.982 -11.767 1.00 22.43 H new ATOM 0 HD3 LYS A 68 7.923 -1.646 -12.785 1.00 22.43 H new ATOM 0 HE2 LYS A 68 7.907 0.408 -14.157 1.00 73.34 H new ATOM 0 HE3 LYS A 68 9.101 1.145 -13.108 1.00 73.34 H new ATOM 0 HZ1 LYS A 68 10.114 0.239 -15.087 1.00 3.55 H new ATOM 0 HZ2 LYS A 68 10.670 -0.595 -13.716 1.00 3.55 H new ATOM 0 HZ3 LYS A 68 9.513 -1.309 -14.733 1.00 3.55 H new ATOM 1092 N ALA A 69 2.705 0.774 -12.374 1.00 65.12 N ATOM 1093 CA ALA A 69 1.530 1.196 -13.129 1.00 24.25 C ATOM 1094 C ALA A 69 0.615 2.000 -12.220 1.00 62.40 C ATOM 1095 O ALA A 69 -0.049 2.949 -12.640 1.00 75.54 O ATOM 1096 CB ALA A 69 0.799 -0.014 -13.688 1.00 5.10 C ATOM 0 H ALA A 69 2.596 -0.114 -11.884 1.00 65.12 H new ATOM 0 HA ALA A 69 1.841 1.819 -13.967 1.00 24.25 H new ATOM 0 HB1 ALA A 69 -0.075 0.316 -14.249 1.00 5.10 H new ATOM 0 HB2 ALA A 69 1.466 -0.569 -14.348 1.00 5.10 H new ATOM 0 HB3 ALA A 69 0.482 -0.658 -12.868 1.00 5.10 H new ATOM 1102 N ASP A 70 0.617 1.615 -10.961 1.00 63.11 N ATOM 1103 CA ASP A 70 -0.161 2.266 -9.917 1.00 52.14 C ATOM 1104 C ASP A 70 0.416 3.649 -9.569 1.00 24.30 C ATOM 1105 O ASP A 70 -0.210 4.437 -8.870 1.00 44.31 O ATOM 1106 CB ASP A 70 -0.207 1.352 -8.676 1.00 14.40 C ATOM 1107 CG ASP A 70 -0.627 2.061 -7.404 1.00 71.11 C ATOM 1108 OD1 ASP A 70 -1.840 2.205 -7.159 1.00 54.11 O ATOM 1109 OD2 ASP A 70 0.264 2.465 -6.644 1.00 12.24 O ATOM 0 H ASP A 70 1.169 0.826 -10.624 1.00 63.11 H new ATOM 0 HA ASP A 70 -1.176 2.429 -10.279 1.00 52.14 H new ATOM 0 HB2 ASP A 70 -0.898 0.531 -8.867 1.00 14.40 H new ATOM 0 HB3 ASP A 70 0.778 0.911 -8.526 1.00 14.40 H new ATOM 1114 N LYS A 71 1.596 3.955 -10.094 1.00 22.13 N ATOM 1115 CA LYS A 71 2.258 5.214 -9.770 1.00 52.41 C ATOM 1116 C LYS A 71 1.471 6.413 -10.295 1.00 44.23 C ATOM 1117 O LYS A 71 1.586 7.507 -9.770 1.00 31.01 O ATOM 1118 CB LYS A 71 3.687 5.261 -10.328 1.00 61.12 C ATOM 1119 CG LYS A 71 3.761 5.333 -11.847 1.00 51.02 C ATOM 1120 CD LYS A 71 5.153 5.730 -12.323 1.00 30.04 C ATOM 1121 CE LYS A 71 6.215 4.745 -11.857 1.00 1.34 C ATOM 1122 NZ LYS A 71 7.573 5.162 -12.280 1.00 23.33 N ATOM 0 H LYS A 71 2.111 3.356 -10.740 1.00 22.13 H new ATOM 0 HA LYS A 71 2.302 5.269 -8.682 1.00 52.41 H new ATOM 0 HB2 LYS A 71 4.201 6.126 -9.909 1.00 61.12 H new ATOM 0 HB3 LYS A 71 4.226 4.376 -9.991 1.00 61.12 H new ATOM 0 HG2 LYS A 71 3.493 4.365 -12.271 1.00 51.02 H new ATOM 0 HG3 LYS A 71 3.031 6.055 -12.214 1.00 51.02 H new ATOM 0 HD2 LYS A 71 5.162 5.786 -13.412 1.00 30.04 H new ATOM 0 HD3 LYS A 71 5.393 6.726 -11.951 1.00 30.04 H new ATOM 0 HE2 LYS A 71 6.182 4.661 -10.771 1.00 1.34 H new ATOM 0 HE3 LYS A 71 5.996 3.756 -12.260 1.00 1.34 H new ATOM 0 HZ1 LYS A 71 8.270 4.467 -11.945 1.00 23.33 H new ATOM 0 HZ2 LYS A 71 7.612 5.218 -13.318 1.00 23.33 H new ATOM 0 HZ3 LYS A 71 7.792 6.095 -11.875 1.00 23.33 H new ATOM 1136 N ALA A 72 0.654 6.176 -11.309 1.00 62.01 N ATOM 1137 CA ALA A 72 -0.096 7.247 -11.955 1.00 23.23 C ATOM 1138 C ALA A 72 -0.986 8.007 -10.961 1.00 60.31 C ATOM 1139 O ALA A 72 -0.687 9.148 -10.606 1.00 20.01 O ATOM 1140 CB ALA A 72 -0.925 6.696 -13.105 1.00 12.54 C ATOM 0 H ALA A 72 0.492 5.250 -11.705 1.00 62.01 H new ATOM 0 HA ALA A 72 0.627 7.960 -12.351 1.00 23.23 H new ATOM 0 HB1 ALA A 72 -1.479 7.508 -13.576 1.00 12.54 H new ATOM 0 HB2 ALA A 72 -0.266 6.232 -13.839 1.00 12.54 H new ATOM 0 HB3 ALA A 72 -1.625 5.952 -12.725 1.00 12.54 H new ATOM 1146 N ARG A 73 -2.079 7.370 -10.535 1.00 54.15 N ATOM 1147 CA ARG A 73 -3.034 7.965 -9.577 1.00 53.13 C ATOM 1148 C ARG A 73 -2.420 8.648 -8.333 1.00 62.22 C ATOM 1149 O ARG A 73 -3.045 9.530 -7.767 1.00 52.42 O ATOM 1150 CB ARG A 73 -4.143 6.960 -9.172 1.00 4.04 C ATOM 1151 CG ARG A 73 -3.685 5.517 -8.935 1.00 44.35 C ATOM 1152 CD ARG A 73 -2.739 5.384 -7.754 1.00 32.32 C ATOM 1153 NE ARG A 73 -3.323 5.849 -6.497 1.00 2.33 N ATOM 1154 CZ ARG A 73 -3.066 5.301 -5.308 1.00 55.21 C ATOM 1155 NH1 ARG A 73 -2.309 4.209 -5.225 1.00 55.42 N ATOM 1156 NH2 ARG A 73 -3.582 5.834 -4.207 1.00 15.23 N ATOM 0 H ARG A 73 -2.333 6.430 -10.839 1.00 54.15 H new ATOM 0 HA ARG A 73 -3.477 8.787 -10.140 1.00 53.13 H new ATOM 0 HB2 ARG A 73 -4.621 7.323 -8.262 1.00 4.04 H new ATOM 0 HB3 ARG A 73 -4.905 6.955 -9.952 1.00 4.04 H new ATOM 0 HG2 ARG A 73 -4.558 4.887 -8.767 1.00 44.35 H new ATOM 0 HG3 ARG A 73 -3.192 5.146 -9.833 1.00 44.35 H new ATOM 0 HD2 ARG A 73 -2.445 4.340 -7.647 1.00 32.32 H new ATOM 0 HD3 ARG A 73 -1.831 5.951 -7.958 1.00 32.32 H new ATOM 0 HE ARG A 73 -3.966 6.640 -6.531 1.00 2.33 H new ATOM 0 HH11 ARG A 73 -1.924 3.790 -6.071 1.00 55.42 H new ATOM 0 HH12 ARG A 73 -2.114 3.792 -4.315 1.00 55.42 H new ATOM 0 HH21 ARG A 73 -4.174 6.662 -4.270 1.00 15.23 H new ATOM 0 HH22 ARG A 73 -3.386 5.416 -3.298 1.00 15.23 H new ATOM 1170 N TYR A 74 -1.230 8.251 -7.895 1.00 13.52 N ATOM 1171 CA TYR A 74 -0.659 8.896 -6.709 1.00 63.55 C ATOM 1172 C TYR A 74 0.351 9.992 -7.086 1.00 24.32 C ATOM 1173 O TYR A 74 0.303 11.102 -6.551 1.00 64.00 O ATOM 1174 CB TYR A 74 -0.045 7.866 -5.720 1.00 41.42 C ATOM 1175 CG TYR A 74 1.452 7.647 -5.851 1.00 52.45 C ATOM 1176 CD1 TYR A 74 1.959 6.684 -6.699 1.00 41.42 C ATOM 1177 CD2 TYR A 74 2.354 8.415 -5.119 1.00 24.52 C ATOM 1178 CE1 TYR A 74 3.321 6.488 -6.820 1.00 2.21 C ATOM 1179 CE2 TYR A 74 3.714 8.224 -5.236 1.00 11.04 C ATOM 1180 CZ TYR A 74 4.191 7.258 -6.089 1.00 34.14 C ATOM 1181 OH TYR A 74 5.544 7.060 -6.213 1.00 53.41 O ATOM 0 H TYR A 74 -0.660 7.519 -8.318 1.00 13.52 H new ATOM 0 HA TYR A 74 -1.484 9.382 -6.188 1.00 63.55 H new ATOM 0 HB2 TYR A 74 -0.259 8.193 -4.703 1.00 41.42 H new ATOM 0 HB3 TYR A 74 -0.548 6.909 -5.860 1.00 41.42 H new ATOM 0 HD1 TYR A 74 1.281 6.074 -7.277 1.00 41.42 H new ATOM 0 HD2 TYR A 74 1.981 9.174 -4.447 1.00 24.52 H new ATOM 0 HE1 TYR A 74 3.701 5.730 -7.489 1.00 2.21 H new ATOM 0 HE2 TYR A 74 4.400 8.829 -4.661 1.00 11.04 H new ATOM 0 HH TYR A 74 6.021 7.686 -5.629 1.00 53.41 H new ATOM 1191 N GLU A 75 1.265 9.671 -8.002 1.00 33.32 N ATOM 1192 CA GLU A 75 2.299 10.610 -8.427 1.00 33.32 C ATOM 1193 C GLU A 75 1.696 11.902 -8.965 1.00 1.22 C ATOM 1194 O GLU A 75 2.198 12.996 -8.679 1.00 3.13 O ATOM 1195 CB GLU A 75 3.206 9.967 -9.477 1.00 13.11 C ATOM 1196 CG GLU A 75 4.451 10.768 -9.803 1.00 15.52 C ATOM 1197 CD GLU A 75 5.294 10.109 -10.867 1.00 40.13 C ATOM 1198 OE1 GLU A 75 6.097 9.215 -10.532 1.00 22.04 O ATOM 1199 OE2 GLU A 75 5.157 10.484 -12.052 1.00 42.35 O ATOM 0 H GLU A 75 1.309 8.763 -8.465 1.00 33.32 H new ATOM 0 HA GLU A 75 2.897 10.863 -7.551 1.00 33.32 H new ATOM 0 HB2 GLU A 75 3.505 8.980 -9.125 1.00 13.11 H new ATOM 0 HB3 GLU A 75 2.634 9.819 -10.393 1.00 13.11 H new ATOM 0 HG2 GLU A 75 4.162 11.764 -10.137 1.00 15.52 H new ATOM 0 HG3 GLU A 75 5.046 10.895 -8.898 1.00 15.52 H new ATOM 1206 N ARG A 76 0.598 11.789 -9.715 1.00 42.13 N ATOM 1207 CA ARG A 76 -0.056 12.954 -10.302 1.00 33.55 C ATOM 1208 C ARG A 76 -0.670 13.868 -9.247 1.00 25.14 C ATOM 1209 O ARG A 76 -1.077 14.984 -9.556 1.00 71.52 O ATOM 1210 CB ARG A 76 -1.137 12.527 -11.290 1.00 34.33 C ATOM 1211 CG ARG A 76 -2.306 11.798 -10.652 1.00 42.15 C ATOM 1212 CD ARG A 76 -3.393 11.499 -11.665 1.00 22.35 C ATOM 1213 NE ARG A 76 -3.965 12.723 -12.239 1.00 24.20 N ATOM 1214 CZ ARG A 76 -5.271 13.015 -12.241 1.00 41.02 C ATOM 1215 NH1 ARG A 76 -6.141 12.200 -11.655 1.00 33.32 N ATOM 1216 NH2 ARG A 76 -5.702 14.134 -12.815 1.00 10.23 N ATOM 0 H ARG A 76 0.145 10.901 -9.929 1.00 42.13 H new ATOM 0 HA ARG A 76 0.720 13.514 -10.824 1.00 33.55 H new ATOM 0 HB2 ARG A 76 -1.512 13.411 -11.806 1.00 34.33 H new ATOM 0 HB3 ARG A 76 -0.689 11.882 -12.046 1.00 34.33 H new ATOM 0 HG2 ARG A 76 -1.956 10.867 -10.206 1.00 42.15 H new ATOM 0 HG3 ARG A 76 -2.717 12.403 -9.844 1.00 42.15 H new ATOM 0 HD2 ARG A 76 -2.983 10.882 -12.464 1.00 22.35 H new ATOM 0 HD3 ARG A 76 -4.183 10.919 -11.188 1.00 22.35 H new ATOM 0 HE ARG A 76 -3.326 13.395 -12.664 1.00 24.20 H new ATOM 0 HH11 ARG A 76 -5.815 11.347 -11.201 1.00 33.32 H new ATOM 0 HH12 ARG A 76 -7.135 12.427 -11.659 1.00 33.32 H new ATOM 0 HH21 ARG A 76 -5.037 14.771 -13.254 1.00 10.23 H new ATOM 0 HH22 ARG A 76 -6.698 14.356 -12.816 1.00 10.23 H new ATOM 1230 N GLU A 77 -0.718 13.411 -8.013 1.00 0.35 N ATOM 1231 CA GLU A 77 -1.334 14.184 -6.955 1.00 54.24 C ATOM 1232 C GLU A 77 -0.274 15.002 -6.242 1.00 35.35 C ATOM 1233 O GLU A 77 -0.554 16.063 -5.690 1.00 41.44 O ATOM 1234 CB GLU A 77 -2.050 13.271 -5.964 1.00 41.23 C ATOM 1235 CG GLU A 77 -3.151 12.425 -6.581 1.00 45.14 C ATOM 1236 CD GLU A 77 -4.258 13.252 -7.190 1.00 3.32 C ATOM 1237 OE1 GLU A 77 -5.037 13.867 -6.429 1.00 60.20 O ATOM 1238 OE2 GLU A 77 -4.371 13.284 -8.428 1.00 23.44 O ATOM 0 H GLU A 77 -0.339 12.511 -7.718 1.00 0.35 H new ATOM 0 HA GLU A 77 -2.074 14.854 -7.394 1.00 54.24 H new ATOM 0 HB2 GLU A 77 -1.317 12.611 -5.500 1.00 41.23 H new ATOM 0 HB3 GLU A 77 -2.478 13.881 -5.169 1.00 41.23 H new ATOM 0 HG2 GLU A 77 -2.721 11.782 -7.349 1.00 45.14 H new ATOM 0 HG3 GLU A 77 -3.571 11.771 -5.817 1.00 45.14 H new ATOM 1245 N MET A 78 0.953 14.503 -6.270 1.00 3.12 N ATOM 1246 CA MET A 78 2.070 15.185 -5.639 1.00 65.15 C ATOM 1247 C MET A 78 2.632 16.249 -6.577 1.00 64.23 C ATOM 1248 O MET A 78 2.919 17.369 -6.160 1.00 75.24 O ATOM 1249 CB MET A 78 3.165 14.183 -5.256 1.00 32.02 C ATOM 1250 CG MET A 78 4.311 14.794 -4.466 1.00 5.02 C ATOM 1251 SD MET A 78 3.786 15.447 -2.864 1.00 72.51 S ATOM 1252 CE MET A 78 5.320 16.174 -2.293 1.00 11.45 C ATOM 0 H MET A 78 1.199 13.624 -6.725 1.00 3.12 H new ATOM 0 HA MET A 78 1.713 15.669 -4.730 1.00 65.15 H new ATOM 0 HB2 MET A 78 2.720 13.380 -4.669 1.00 32.02 H new ATOM 0 HB3 MET A 78 3.563 13.731 -6.164 1.00 32.02 H new ATOM 0 HG2 MET A 78 5.082 14.040 -4.311 1.00 5.02 H new ATOM 0 HG3 MET A 78 4.762 15.596 -5.050 1.00 5.02 H new ATOM 0 HE1 MET A 78 5.414 16.027 -1.217 1.00 11.45 H new ATOM 0 HE2 MET A 78 6.159 15.697 -2.800 1.00 11.45 H new ATOM 0 HE3 MET A 78 5.321 17.241 -2.514 1.00 11.45 H new ATOM 1262 N LYS A 79 2.792 15.884 -7.848 1.00 61.52 N ATOM 1263 CA LYS A 79 3.303 16.811 -8.865 1.00 62.10 C ATOM 1264 C LYS A 79 2.423 18.065 -9.017 1.00 33.15 C ATOM 1265 O LYS A 79 2.885 19.101 -9.493 1.00 61.14 O ATOM 1266 CB LYS A 79 3.507 16.093 -10.218 1.00 1.24 C ATOM 1267 CG LYS A 79 2.243 15.520 -10.863 1.00 55.24 C ATOM 1268 CD LYS A 79 1.526 16.549 -11.731 1.00 43.52 C ATOM 1269 CE LYS A 79 0.437 15.903 -12.583 1.00 25.14 C ATOM 1270 NZ LYS A 79 1.004 15.001 -13.621 1.00 12.43 N ATOM 0 H LYS A 79 2.576 14.952 -8.202 1.00 61.52 H new ATOM 0 HA LYS A 79 4.276 17.159 -8.517 1.00 62.10 H new ATOM 0 HB2 LYS A 79 3.962 16.796 -10.916 1.00 1.24 H new ATOM 0 HB3 LYS A 79 4.219 15.281 -10.073 1.00 1.24 H new ATOM 0 HG2 LYS A 79 2.507 14.654 -11.471 1.00 55.24 H new ATOM 0 HG3 LYS A 79 1.566 15.168 -10.084 1.00 55.24 H new ATOM 0 HD2 LYS A 79 1.085 17.317 -11.096 1.00 43.52 H new ATOM 0 HD3 LYS A 79 2.248 17.047 -12.378 1.00 43.52 H new ATOM 0 HE2 LYS A 79 -0.238 15.338 -11.941 1.00 25.14 H new ATOM 0 HE3 LYS A 79 -0.157 16.681 -13.063 1.00 25.14 H new ATOM 0 HZ1 LYS A 79 0.279 14.798 -14.338 1.00 12.43 H new ATOM 0 HZ2 LYS A 79 1.819 15.462 -14.073 1.00 12.43 H new ATOM 0 HZ3 LYS A 79 1.311 14.112 -13.178 1.00 12.43 H new ATOM 1284 N THR A 80 1.165 17.973 -8.616 1.00 51.24 N ATOM 1285 CA THR A 80 0.270 19.116 -8.699 1.00 14.21 C ATOM 1286 C THR A 80 0.065 19.740 -7.322 1.00 65.24 C ATOM 1287 O THR A 80 -0.624 20.744 -7.182 1.00 23.10 O ATOM 1288 CB THR A 80 -1.106 18.734 -9.304 1.00 13.22 C ATOM 1289 OG1 THR A 80 -1.899 19.914 -9.502 1.00 3.43 O ATOM 1290 CG2 THR A 80 -1.855 17.779 -8.388 1.00 63.31 C ATOM 0 H THR A 80 0.743 17.127 -8.233 1.00 51.24 H new ATOM 0 HA THR A 80 0.742 19.841 -9.362 1.00 14.21 H new ATOM 0 HB THR A 80 -0.929 18.241 -10.260 1.00 13.22 H new ATOM 0 HG1 THR A 80 -1.705 20.562 -8.793 1.00 3.43 H new ATOM 0 HG21 THR A 80 -2.817 17.526 -8.834 1.00 63.31 H new ATOM 0 HG22 THR A 80 -1.268 16.871 -8.251 1.00 63.31 H new ATOM 0 HG23 THR A 80 -2.018 18.255 -7.421 1.00 63.31 H new ATOM 1298 N TYR A 81 0.677 19.149 -6.319 1.00 15.30 N ATOM 1299 CA TYR A 81 0.540 19.624 -4.961 1.00 53.24 C ATOM 1300 C TYR A 81 1.555 20.720 -4.680 1.00 41.22 C ATOM 1301 O TYR A 81 2.687 20.666 -5.164 1.00 21.42 O ATOM 1302 CB TYR A 81 0.720 18.460 -3.973 1.00 43.51 C ATOM 1303 CG TYR A 81 0.613 18.856 -2.517 1.00 4.45 C ATOM 1304 CD1 TYR A 81 -0.623 19.088 -1.930 1.00 55.34 C ATOM 1305 CD2 TYR A 81 1.748 18.997 -1.730 1.00 21.52 C ATOM 1306 CE1 TYR A 81 -0.724 19.450 -0.602 1.00 4.04 C ATOM 1307 CE2 TYR A 81 1.656 19.360 -0.403 1.00 71.41 C ATOM 1308 CZ TYR A 81 0.419 19.586 0.157 1.00 44.43 C ATOM 1309 OH TYR A 81 0.323 19.945 1.481 1.00 13.12 O ATOM 0 H TYR A 81 1.279 18.332 -6.421 1.00 15.30 H new ATOM 0 HA TYR A 81 -0.460 20.039 -4.834 1.00 53.24 H new ATOM 0 HB2 TYR A 81 -0.030 17.699 -4.186 1.00 43.51 H new ATOM 0 HB3 TYR A 81 1.695 18.003 -4.142 1.00 43.51 H new ATOM 0 HD1 TYR A 81 -1.520 18.984 -2.522 1.00 55.34 H new ATOM 0 HD2 TYR A 81 2.720 18.819 -2.165 1.00 21.52 H new ATOM 0 HE1 TYR A 81 -1.693 19.626 -0.160 1.00 4.04 H new ATOM 0 HE2 TYR A 81 2.550 19.466 0.194 1.00 71.41 H new ATOM 0 HH TYR A 81 1.220 19.996 1.872 1.00 13.12 H new ATOM 1319 N ILE A 82 1.140 21.719 -3.927 1.00 1.12 N ATOM 1320 CA ILE A 82 2.023 22.800 -3.538 1.00 72.21 C ATOM 1321 C ILE A 82 2.512 22.562 -2.109 1.00 61.55 C ATOM 1322 O ILE A 82 1.772 22.782 -1.149 1.00 22.01 O ATOM 1323 CB ILE A 82 1.308 24.176 -3.619 1.00 72.15 C ATOM 1324 CG1 ILE A 82 0.705 24.396 -5.019 1.00 41.33 C ATOM 1325 CG2 ILE A 82 2.272 25.305 -3.266 1.00 21.14 C ATOM 1326 CD1 ILE A 82 1.723 24.367 -6.146 1.00 41.23 C ATOM 0 H ILE A 82 0.188 21.804 -3.570 1.00 1.12 H new ATOM 0 HA ILE A 82 2.866 22.817 -4.228 1.00 72.21 H new ATOM 0 HB ILE A 82 0.495 24.180 -2.893 1.00 72.15 H new ATOM 0 HG12 ILE A 82 -0.047 23.629 -5.203 1.00 41.33 H new ATOM 0 HG13 ILE A 82 0.190 25.357 -5.034 1.00 41.33 H new ATOM 0 HG21 ILE A 82 1.752 26.261 -3.329 1.00 21.14 H new ATOM 0 HG22 ILE A 82 2.645 25.161 -2.252 1.00 21.14 H new ATOM 0 HG23 ILE A 82 3.109 25.301 -3.965 1.00 21.14 H new ATOM 0 HD11 ILE A 82 1.217 24.530 -7.098 1.00 41.23 H new ATOM 0 HD12 ILE A 82 2.462 25.153 -5.989 1.00 41.23 H new ATOM 0 HD13 ILE A 82 2.221 23.398 -6.161 1.00 41.23 H new ATOM 1338 N PRO A 83 3.751 22.068 -1.950 1.00 64.44 N ATOM 1339 CA PRO A 83 4.315 21.760 -0.640 1.00 14.34 C ATOM 1340 C PRO A 83 4.769 23.007 0.119 1.00 71.03 C ATOM 1341 O PRO A 83 5.474 23.863 -0.435 1.00 44.20 O ATOM 1342 CB PRO A 83 5.533 20.868 -0.964 1.00 40.23 C ATOM 1343 CG PRO A 83 5.487 20.634 -2.444 1.00 3.22 C ATOM 1344 CD PRO A 83 4.696 21.762 -3.023 1.00 74.10 C ATOM 0 HA PRO A 83 3.576 21.285 0.006 1.00 14.34 H new ATOM 0 HB2 PRO A 83 6.463 21.357 -0.674 1.00 40.23 H new ATOM 0 HB3 PRO A 83 5.484 19.926 -0.418 1.00 40.23 H new ATOM 0 HG2 PRO A 83 6.492 20.608 -2.865 1.00 3.22 H new ATOM 0 HG3 PRO A 83 5.021 19.675 -2.672 1.00 3.22 H new ATOM 0 HD2 PRO A 83 5.326 22.618 -3.265 1.00 74.10 H new ATOM 0 HD3 PRO A 83 4.187 21.471 -3.942 1.00 74.10 H new