USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 393 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 42 SER OG : rot 130:sc= -0.339 USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.335 K(o=-0.67,f=0.16) USER MOD Single : A 12 TYR OH : rot 72:sc= 0.715 USER MOD Single : A 15 THR OG1 : rot 39:sc= 0.394 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0498) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0248 (180deg=-0.171) USER MOD Single : A 23 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.042) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.251 K(o=0.25,f=-7.2!) USER MOD Single : A 34 HIS : no HE2:sc= 0.91 K(o=0.91,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0114 (180deg=-0.186) USER MOD Single : A 39 SER OG : rot -88:sc= 1.41 USER MOD Single : A 46 THR OG1 : rot -81:sc= 0.00561 USER MOD Single : A 48 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 51 MET CE :methyl 164:sc= -0.0677 (180deg=-0.42) USER MOD Single : A 54 LYS NZ :NH3+ -117:sc= 0.316 (180deg=-0.769!) USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= 1.23 (180deg=0.878) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 157 N GLU A 10 -11.152 -8.311 0.457 1.00 23.11 N ATOM 158 CA GLU A 10 -10.515 -7.403 1.427 1.00 53.34 C ATOM 159 C GLU A 10 -9.030 -7.162 1.099 1.00 5.20 C ATOM 160 O GLU A 10 -8.387 -7.970 0.427 1.00 70.43 O ATOM 161 CB GLU A 10 -10.676 -7.942 2.872 1.00 3.04 C ATOM 162 CG GLU A 10 -10.933 -9.450 2.989 1.00 71.21 C ATOM 163 CD GLU A 10 -9.821 -10.320 2.415 1.00 55.42 C ATOM 164 OE1 GLU A 10 -8.817 -10.568 3.121 1.00 41.12 O ATOM 165 OE2 GLU A 10 -9.954 -10.775 1.259 1.00 21.35 O ATOM 0 HA GLU A 10 -11.025 -6.442 1.355 1.00 53.34 H new ATOM 0 HB2 GLU A 10 -9.774 -7.700 3.434 1.00 3.04 H new ATOM 0 HB3 GLU A 10 -11.501 -7.412 3.349 1.00 3.04 H new ATOM 0 HG2 GLU A 10 -11.071 -9.703 4.040 1.00 71.21 H new ATOM 0 HG3 GLU A 10 -11.866 -9.689 2.478 1.00 71.21 H new ATOM 172 N ALA A 11 -8.493 -6.041 1.588 1.00 54.41 N ATOM 173 CA ALA A 11 -7.092 -5.668 1.346 1.00 1.24 C ATOM 174 C ALA A 11 -6.430 -5.093 2.610 1.00 1.42 C ATOM 175 O ALA A 11 -7.028 -5.081 3.687 1.00 63.41 O ATOM 176 CB ALA A 11 -7.013 -4.660 0.204 1.00 2.53 C ATOM 0 H ALA A 11 -9.009 -5.371 2.158 1.00 54.41 H new ATOM 0 HA ALA A 11 -6.547 -6.571 1.071 1.00 1.24 H new ATOM 0 HB1 ALA A 11 -5.972 -4.388 0.030 1.00 2.53 H new ATOM 0 HB2 ALA A 11 -7.428 -5.103 -0.701 1.00 2.53 H new ATOM 0 HB3 ALA A 11 -7.582 -3.768 0.466 1.00 2.53 H new ATOM 182 N TYR A 12 -5.190 -4.625 2.469 1.00 32.32 N ATOM 183 CA TYR A 12 -4.437 -4.034 3.586 1.00 54.21 C ATOM 184 C TYR A 12 -3.290 -3.142 3.078 1.00 42.32 C ATOM 185 O TYR A 12 -2.967 -3.142 1.889 1.00 1.52 O ATOM 186 CB TYR A 12 -3.882 -5.135 4.506 1.00 4.32 C ATOM 187 CG TYR A 12 -2.977 -6.139 3.807 1.00 63.13 C ATOM 188 CD1 TYR A 12 -3.500 -7.289 3.223 1.00 13.04 C ATOM 189 CD2 TYR A 12 -1.602 -5.937 3.735 1.00 52.44 C ATOM 190 CE1 TYR A 12 -2.681 -8.203 2.590 1.00 75.40 C ATOM 191 CE2 TYR A 12 -0.778 -6.848 3.103 1.00 41.53 C ATOM 192 CZ TYR A 12 -1.322 -7.978 2.532 1.00 31.02 C ATOM 193 OH TYR A 12 -0.506 -8.886 1.896 1.00 71.23 O ATOM 0 H TYR A 12 -4.678 -4.642 1.587 1.00 32.32 H new ATOM 0 HA TYR A 12 -5.126 -3.410 4.156 1.00 54.21 H new ATOM 0 HB2 TYR A 12 -3.326 -4.667 5.319 1.00 4.32 H new ATOM 0 HB3 TYR A 12 -4.717 -5.670 4.958 1.00 4.32 H new ATOM 0 HD1 TYR A 12 -4.564 -7.470 3.266 1.00 13.04 H new ATOM 0 HD2 TYR A 12 -1.172 -5.053 4.181 1.00 52.44 H new ATOM 0 HE1 TYR A 12 -3.103 -9.090 2.142 1.00 75.40 H new ATOM 0 HE2 TYR A 12 0.287 -6.675 3.057 1.00 41.53 H new ATOM 0 HH TYR A 12 -0.642 -8.826 0.927 1.00 71.23 H new ATOM 203 N ILE A 13 -2.673 -2.387 3.985 1.00 35.22 N ATOM 204 CA ILE A 13 -1.555 -1.501 3.635 1.00 20.33 C ATOM 205 C ILE A 13 -0.229 -1.986 4.252 1.00 63.23 C ATOM 206 O ILE A 13 -0.191 -2.444 5.397 1.00 11.25 O ATOM 207 CB ILE A 13 -1.836 -0.044 4.100 1.00 34.24 C ATOM 208 CG1 ILE A 13 -3.147 0.482 3.476 1.00 21.04 C ATOM 209 CG2 ILE A 13 -0.663 0.874 3.748 1.00 74.11 C ATOM 210 CD1 ILE A 13 -3.542 1.869 3.950 1.00 32.35 C ATOM 0 H ILE A 13 -2.927 -2.369 4.973 1.00 35.22 H new ATOM 0 HA ILE A 13 -1.461 -1.523 2.549 1.00 20.33 H new ATOM 0 HB ILE A 13 -1.950 -0.048 5.184 1.00 34.24 H new ATOM 0 HG12 ILE A 13 -3.041 0.496 2.391 1.00 21.04 H new ATOM 0 HG13 ILE A 13 -3.953 -0.214 3.709 1.00 21.04 H new ATOM 0 HG21 ILE A 13 -0.882 1.888 4.083 1.00 74.11 H new ATOM 0 HG22 ILE A 13 0.240 0.516 4.242 1.00 74.11 H new ATOM 0 HG23 ILE A 13 -0.511 0.873 2.669 1.00 74.11 H new ATOM 0 HD11 ILE A 13 -4.472 2.167 3.467 1.00 32.35 H new ATOM 0 HD12 ILE A 13 -3.682 1.858 5.031 1.00 32.35 H new ATOM 0 HD13 ILE A 13 -2.756 2.579 3.693 1.00 32.35 H new ATOM 222 N VAL A 14 0.852 -1.902 3.477 1.00 24.10 N ATOM 223 CA VAL A 14 2.199 -2.243 3.958 1.00 32.42 C ATOM 224 C VAL A 14 3.109 -1.004 3.956 1.00 71.52 C ATOM 225 O VAL A 14 3.108 -0.231 3.001 1.00 63.03 O ATOM 226 CB VAL A 14 2.846 -3.350 3.085 1.00 13.45 C ATOM 227 CG1 VAL A 14 4.257 -3.681 3.571 1.00 11.23 C ATOM 228 CG2 VAL A 14 1.971 -4.602 3.067 1.00 23.23 C ATOM 0 H VAL A 14 0.824 -1.598 2.504 1.00 24.10 H new ATOM 0 HA VAL A 14 2.093 -2.614 4.977 1.00 32.42 H new ATOM 0 HB VAL A 14 2.924 -2.972 2.066 1.00 13.45 H new ATOM 0 HG11 VAL A 14 4.686 -4.460 2.940 1.00 11.23 H new ATOM 0 HG12 VAL A 14 4.879 -2.788 3.518 1.00 11.23 H new ATOM 0 HG13 VAL A 14 4.214 -4.032 4.602 1.00 11.23 H new ATOM 0 HG21 VAL A 14 2.442 -5.366 2.449 1.00 23.23 H new ATOM 0 HG22 VAL A 14 1.853 -4.978 4.083 1.00 23.23 H new ATOM 0 HG23 VAL A 14 0.992 -4.356 2.656 1.00 23.23 H new ATOM 238 N THR A 15 3.887 -0.815 5.021 1.00 3.21 N ATOM 239 CA THR A 15 4.771 0.359 5.131 1.00 12.33 C ATOM 240 C THR A 15 6.242 0.004 4.868 1.00 71.24 C ATOM 241 O THR A 15 6.870 -0.716 5.648 1.00 10.20 O ATOM 242 CB THR A 15 4.660 1.026 6.525 1.00 61.30 C ATOM 243 OG1 THR A 15 4.932 0.075 7.569 1.00 15.34 O ATOM 244 CG2 THR A 15 3.275 1.627 6.731 1.00 0.03 C ATOM 0 H THR A 15 3.928 -1.451 5.818 1.00 3.21 H new ATOM 0 HA THR A 15 4.436 1.058 4.365 1.00 12.33 H new ATOM 0 HB THR A 15 5.401 1.824 6.569 1.00 61.30 H new ATOM 0 HG1 THR A 15 5.665 -0.514 7.292 1.00 15.34 H new ATOM 0 HG21 THR A 15 3.222 2.089 7.717 1.00 0.03 H new ATOM 0 HG22 THR A 15 3.088 2.381 5.966 1.00 0.03 H new ATOM 0 HG23 THR A 15 2.523 0.841 6.658 1.00 0.03 H new ATOM 252 N ILE A 16 6.790 0.522 3.769 1.00 44.55 N ATOM 253 CA ILE A 16 8.207 0.324 3.430 1.00 4.32 C ATOM 254 C ILE A 16 8.977 1.653 3.484 1.00 22.43 C ATOM 255 O ILE A 16 8.377 2.725 3.557 1.00 3.33 O ATOM 256 CB ILE A 16 8.383 -0.310 2.022 1.00 22.05 C ATOM 257 CG1 ILE A 16 7.865 0.638 0.924 1.00 22.25 C ATOM 258 CG2 ILE A 16 7.666 -1.657 1.951 1.00 31.23 C ATOM 259 CD1 ILE A 16 8.102 0.133 -0.488 1.00 61.43 C ATOM 0 H ILE A 16 6.275 1.085 3.093 1.00 44.55 H new ATOM 0 HA ILE A 16 8.613 -0.363 4.173 1.00 4.32 H new ATOM 0 HB ILE A 16 9.447 -0.474 1.852 1.00 22.05 H new ATOM 0 HG12 ILE A 16 6.796 0.795 1.068 1.00 22.25 H new ATOM 0 HG13 ILE A 16 8.348 1.608 1.038 1.00 22.25 H new ATOM 0 HG21 ILE A 16 7.799 -2.088 0.959 1.00 31.23 H new ATOM 0 HG22 ILE A 16 8.084 -2.331 2.698 1.00 31.23 H new ATOM 0 HG23 ILE A 16 6.603 -1.514 2.145 1.00 31.23 H new ATOM 0 HD11 ILE A 16 7.710 0.856 -1.204 1.00 61.43 H new ATOM 0 HD12 ILE A 16 9.172 0.003 -0.653 1.00 61.43 H new ATOM 0 HD13 ILE A 16 7.595 -0.823 -0.622 1.00 61.43 H new ATOM 271 N GLU A 17 10.303 1.580 3.439 1.00 53.14 N ATOM 272 CA GLU A 17 11.150 2.776 3.527 1.00 74.15 C ATOM 273 C GLU A 17 12.132 2.863 2.346 1.00 31.45 C ATOM 274 O GLU A 17 12.760 1.875 1.964 1.00 44.23 O ATOM 275 CB GLU A 17 11.915 2.776 4.859 1.00 34.25 C ATOM 276 CG GLU A 17 12.746 1.518 5.093 1.00 2.43 C ATOM 277 CD GLU A 17 13.373 1.466 6.477 1.00 22.24 C ATOM 278 OE1 GLU A 17 12.655 1.139 7.446 1.00 35.32 O ATOM 279 OE2 GLU A 17 14.589 1.732 6.600 1.00 34.43 O ATOM 0 H GLU A 17 10.820 0.706 3.342 1.00 53.14 H new ATOM 0 HA GLU A 17 10.503 3.652 3.481 1.00 74.15 H new ATOM 0 HB2 GLU A 17 12.572 3.645 4.890 1.00 34.25 H new ATOM 0 HB3 GLU A 17 11.202 2.886 5.676 1.00 34.25 H new ATOM 0 HG2 GLU A 17 12.114 0.641 4.954 1.00 2.43 H new ATOM 0 HG3 GLU A 17 13.534 1.465 4.342 1.00 2.43 H new ATOM 286 N LYS A 18 12.242 4.052 1.759 1.00 45.34 N ATOM 287 CA LYS A 18 13.163 4.284 0.636 1.00 22.33 C ATOM 288 C LYS A 18 14.049 5.514 0.886 1.00 72.42 C ATOM 289 O LYS A 18 13.720 6.376 1.702 1.00 51.01 O ATOM 290 CB LYS A 18 12.378 4.476 -0.669 1.00 54.12 C ATOM 291 CG LYS A 18 11.570 3.257 -1.107 1.00 45.23 C ATOM 292 CD LYS A 18 10.793 3.532 -2.393 1.00 10.12 C ATOM 293 CE LYS A 18 9.955 2.335 -2.829 1.00 52.23 C ATOM 294 NZ LYS A 18 10.792 1.163 -3.193 1.00 24.42 N ATOM 0 H LYS A 18 11.707 4.874 2.039 1.00 45.34 H new ATOM 0 HA LYS A 18 13.804 3.407 0.549 1.00 22.33 H new ATOM 0 HB2 LYS A 18 11.700 5.321 -0.550 1.00 54.12 H new ATOM 0 HB3 LYS A 18 13.077 4.737 -1.464 1.00 54.12 H new ATOM 0 HG2 LYS A 18 12.240 2.411 -1.260 1.00 45.23 H new ATOM 0 HG3 LYS A 18 10.876 2.975 -0.315 1.00 45.23 H new ATOM 0 HD2 LYS A 18 10.142 4.394 -2.245 1.00 10.12 H new ATOM 0 HD3 LYS A 18 11.491 3.793 -3.188 1.00 10.12 H new ATOM 0 HE2 LYS A 18 9.276 2.057 -2.023 1.00 52.23 H new ATOM 0 HE3 LYS A 18 9.339 2.617 -3.682 1.00 52.23 H new ATOM 0 HZ1 LYS A 18 10.187 0.410 -3.578 1.00 24.42 H new ATOM 0 HZ2 LYS A 18 11.492 1.445 -3.909 1.00 24.42 H new ATOM 0 HZ3 LYS A 18 11.284 0.812 -2.347 1.00 24.42 H new ATOM 308 N GLY A 19 15.169 5.597 0.171 1.00 51.24 N ATOM 309 CA GLY A 19 16.056 6.752 0.288 1.00 43.23 C ATOM 310 C GLY A 19 17.279 6.507 1.172 1.00 41.13 C ATOM 311 O GLY A 19 17.919 5.457 1.084 1.00 61.13 O ATOM 0 H GLY A 19 15.482 4.885 -0.490 1.00 51.24 H new ATOM 0 HA2 GLY A 19 16.392 7.042 -0.708 1.00 43.23 H new ATOM 0 HA3 GLY A 19 15.491 7.592 0.691 1.00 43.23 H new ATOM 315 N LYS A 20 17.611 7.483 2.015 1.00 54.15 N ATOM 316 CA LYS A 20 18.810 7.412 2.861 1.00 60.23 C ATOM 317 C LYS A 20 18.522 6.703 4.194 1.00 60.21 C ATOM 318 O LYS A 20 17.441 6.854 4.756 1.00 11.54 O ATOM 319 CB LYS A 20 19.342 8.828 3.125 1.00 42.41 C ATOM 320 CG LYS A 20 19.667 9.595 1.848 1.00 43.45 C ATOM 321 CD LYS A 20 20.218 10.988 2.137 1.00 1.31 C ATOM 322 CE LYS A 20 20.535 11.748 0.852 1.00 63.30 C ATOM 323 NZ LYS A 20 21.578 11.070 0.035 1.00 50.11 N ATOM 0 H LYS A 20 17.067 8.337 2.134 1.00 54.15 H new ATOM 0 HA LYS A 20 19.563 6.829 2.330 1.00 60.23 H new ATOM 0 HB2 LYS A 20 18.602 9.386 3.698 1.00 42.41 H new ATOM 0 HB3 LYS A 20 20.239 8.763 3.741 1.00 42.41 H new ATOM 0 HG2 LYS A 20 20.395 9.032 1.263 1.00 43.45 H new ATOM 0 HG3 LYS A 20 18.767 9.681 1.239 1.00 43.45 H new ATOM 0 HD2 LYS A 20 19.493 11.552 2.724 1.00 1.31 H new ATOM 0 HD3 LYS A 20 21.121 10.904 2.742 1.00 1.31 H new ATOM 0 HE2 LYS A 20 19.625 11.852 0.261 1.00 63.30 H new ATOM 0 HE3 LYS A 20 20.870 12.755 1.102 1.00 63.30 H new ATOM 0 HZ1 LYS A 20 21.893 11.707 -0.724 1.00 50.11 H new ATOM 0 HZ2 LYS A 20 22.388 10.826 0.640 1.00 50.11 H new ATOM 0 HZ3 LYS A 20 21.183 10.203 -0.382 1.00 50.11 H new ATOM 337 N PRO A 21 19.492 5.926 4.723 1.00 42.51 N ATOM 338 CA PRO A 21 19.314 5.154 5.974 1.00 3.35 C ATOM 339 C PRO A 21 18.773 5.995 7.150 1.00 75.22 C ATOM 340 O PRO A 21 17.890 5.554 7.889 1.00 51.10 O ATOM 341 CB PRO A 21 20.732 4.653 6.277 1.00 62.31 C ATOM 342 CG PRO A 21 21.399 4.583 4.945 1.00 70.03 C ATOM 343 CD PRO A 21 20.841 5.731 4.147 1.00 22.35 C ATOM 0 HA PRO A 21 18.573 4.364 5.852 1.00 3.35 H new ATOM 0 HB2 PRO A 21 21.257 5.332 6.948 1.00 62.31 H new ATOM 0 HB3 PRO A 21 20.712 3.677 6.762 1.00 62.31 H new ATOM 0 HG2 PRO A 21 22.481 4.665 5.045 1.00 70.03 H new ATOM 0 HG3 PRO A 21 21.196 3.631 4.455 1.00 70.03 H new ATOM 0 HD2 PRO A 21 21.454 6.626 4.248 1.00 22.35 H new ATOM 0 HD3 PRO A 21 20.794 5.496 3.084 1.00 22.35 H new ATOM 351 N GLY A 22 19.316 7.199 7.322 1.00 44.51 N ATOM 352 CA GLY A 22 18.872 8.081 8.400 1.00 30.12 C ATOM 353 C GLY A 22 17.508 8.707 8.126 1.00 25.41 C ATOM 354 O GLY A 22 16.554 8.504 8.880 1.00 24.41 O ATOM 0 H GLY A 22 20.057 7.583 6.735 1.00 44.51 H new ATOM 0 HA2 GLY A 22 18.827 7.516 9.331 1.00 30.12 H new ATOM 0 HA3 GLY A 22 19.608 8.872 8.543 1.00 30.12 H new ATOM 358 N GLN A 23 17.417 9.481 7.050 1.00 64.22 N ATOM 359 CA GLN A 23 16.160 10.120 6.659 1.00 21.21 C ATOM 360 C GLN A 23 15.469 9.340 5.532 1.00 52.32 C ATOM 361 O GLN A 23 15.639 9.645 4.348 1.00 64.51 O ATOM 362 CB GLN A 23 16.412 11.574 6.235 1.00 41.44 C ATOM 363 CG GLN A 23 16.845 12.482 7.383 1.00 44.05 C ATOM 364 CD GLN A 23 15.729 12.725 8.387 1.00 42.34 C ATOM 365 OE1 GLN A 23 14.958 13.673 8.259 1.00 11.35 O ATOM 366 NE2 GLN A 23 15.627 11.878 9.390 1.00 25.24 N ATOM 0 H GLN A 23 18.201 9.683 6.429 1.00 64.22 H new ATOM 0 HA GLN A 23 15.494 10.118 7.522 1.00 21.21 H new ATOM 0 HB2 GLN A 23 17.180 11.590 5.462 1.00 41.44 H new ATOM 0 HB3 GLN A 23 15.502 11.976 5.789 1.00 41.44 H new ATOM 0 HG2 GLN A 23 17.698 12.035 7.894 1.00 44.05 H new ATOM 0 HG3 GLN A 23 17.181 13.437 6.979 1.00 44.05 H new ATOM 0 HE21 GLN A 23 16.282 11.100 9.469 1.00 25.24 H new ATOM 0 HE22 GLN A 23 14.893 12.000 10.087 1.00 25.24 H new ATOM 375 N THR A 24 14.717 8.312 5.908 1.00 22.11 N ATOM 376 CA THR A 24 13.970 7.497 4.939 1.00 12.32 C ATOM 377 C THR A 24 12.598 8.106 4.614 1.00 63.41 C ATOM 378 O THR A 24 12.055 8.914 5.376 1.00 64.33 O ATOM 379 CB THR A 24 13.741 6.053 5.454 1.00 1.13 C ATOM 380 OG1 THR A 24 12.874 6.064 6.600 1.00 32.12 O ATOM 381 CG2 THR A 24 15.056 5.375 5.823 1.00 14.41 C ATOM 0 H THR A 24 14.604 8.017 6.878 1.00 22.11 H new ATOM 0 HA THR A 24 14.585 7.475 4.039 1.00 12.32 H new ATOM 0 HB THR A 24 13.276 5.488 4.646 1.00 1.13 H new ATOM 0 HG1 THR A 24 12.736 5.146 6.915 1.00 32.12 H new ATOM 0 HG21 THR A 24 14.857 4.365 6.180 1.00 14.41 H new ATOM 0 HG22 THR A 24 15.701 5.329 4.945 1.00 14.41 H new ATOM 0 HG23 THR A 24 15.552 5.946 6.608 1.00 14.41 H new ATOM 389 N VAL A 25 12.043 7.711 3.472 1.00 0.23 N ATOM 390 CA VAL A 25 10.683 8.091 3.081 1.00 34.42 C ATOM 391 C VAL A 25 9.756 6.872 3.157 1.00 14.13 C ATOM 392 O VAL A 25 10.026 5.837 2.539 1.00 61.04 O ATOM 393 CB VAL A 25 10.645 8.669 1.641 1.00 42.12 C ATOM 394 CG1 VAL A 25 9.224 9.073 1.248 1.00 35.24 C ATOM 395 CG2 VAL A 25 11.603 9.853 1.504 1.00 74.44 C ATOM 0 H VAL A 25 12.519 7.120 2.791 1.00 0.23 H new ATOM 0 HA VAL A 25 10.345 8.863 3.773 1.00 34.42 H new ATOM 0 HB VAL A 25 10.973 7.886 0.958 1.00 42.12 H new ATOM 0 HG11 VAL A 25 9.227 9.475 0.235 1.00 35.24 H new ATOM 0 HG12 VAL A 25 8.573 8.200 1.290 1.00 35.24 H new ATOM 0 HG13 VAL A 25 8.858 9.833 1.938 1.00 35.24 H new ATOM 0 HG21 VAL A 25 11.559 10.241 0.486 1.00 74.44 H new ATOM 0 HG22 VAL A 25 11.315 10.637 2.204 1.00 74.44 H new ATOM 0 HG23 VAL A 25 12.619 9.526 1.724 1.00 74.44 H new ATOM 405 N THR A 26 8.675 6.989 3.921 1.00 20.25 N ATOM 406 CA THR A 26 7.737 5.875 4.105 1.00 73.43 C ATOM 407 C THR A 26 6.762 5.756 2.927 1.00 22.43 C ATOM 408 O THR A 26 5.945 6.645 2.685 1.00 44.45 O ATOM 409 CB THR A 26 6.923 6.025 5.417 1.00 3.03 C ATOM 410 OG1 THR A 26 7.807 6.085 6.550 1.00 74.42 O ATOM 411 CG2 THR A 26 5.949 4.862 5.601 1.00 1.21 C ATOM 0 H THR A 26 8.423 7.840 4.424 1.00 20.25 H new ATOM 0 HA THR A 26 8.343 4.971 4.160 1.00 73.43 H new ATOM 0 HB THR A 26 6.353 6.951 5.346 1.00 3.03 H new ATOM 0 HG1 THR A 26 7.281 6.181 7.371 1.00 74.42 H new ATOM 0 HG21 THR A 26 5.393 4.996 6.529 1.00 1.21 H new ATOM 0 HG22 THR A 26 5.253 4.834 4.762 1.00 1.21 H new ATOM 0 HG23 THR A 26 6.505 3.925 5.643 1.00 1.21 H new ATOM 419 N TRP A 27 6.858 4.647 2.200 1.00 12.44 N ATOM 420 CA TRP A 27 5.953 4.362 1.084 1.00 24.20 C ATOM 421 C TRP A 27 4.936 3.279 1.464 1.00 40.43 C ATOM 422 O TRP A 27 5.295 2.227 1.996 1.00 60.35 O ATOM 423 CB TRP A 27 6.752 3.932 -0.155 1.00 42.35 C ATOM 424 CG TRP A 27 7.424 5.082 -0.842 1.00 64.14 C ATOM 425 CD1 TRP A 27 8.601 5.681 -0.496 1.00 73.13 C ATOM 426 CD2 TRP A 27 6.942 5.778 -1.995 1.00 22.21 C ATOM 427 NE1 TRP A 27 8.878 6.708 -1.366 1.00 74.12 N ATOM 428 CE2 TRP A 27 7.874 6.786 -2.294 1.00 0.52 C ATOM 429 CE3 TRP A 27 5.809 5.639 -2.804 1.00 74.34 C ATOM 430 CZ2 TRP A 27 7.706 7.655 -3.369 1.00 3.12 C ATOM 431 CZ3 TRP A 27 5.642 6.503 -3.869 1.00 2.44 C ATOM 432 CH2 TRP A 27 6.587 7.499 -4.143 1.00 34.44 C ATOM 0 H TRP A 27 7.558 3.924 2.363 1.00 12.44 H new ATOM 0 HA TRP A 27 5.405 5.275 0.850 1.00 24.20 H new ATOM 0 HB2 TRP A 27 7.505 3.201 0.140 1.00 42.35 H new ATOM 0 HB3 TRP A 27 6.083 3.435 -0.858 1.00 42.35 H new ATOM 0 HD1 TRP A 27 9.223 5.391 0.338 1.00 73.13 H new ATOM 0 HE1 TRP A 27 9.698 7.314 -1.327 1.00 74.12 H new ATOM 0 HE3 TRP A 27 5.078 4.870 -2.600 1.00 74.34 H new ATOM 0 HZ2 TRP A 27 8.432 8.425 -3.585 1.00 3.12 H new ATOM 0 HZ3 TRP A 27 4.770 6.409 -4.499 1.00 2.44 H new ATOM 0 HH2 TRP A 27 6.430 8.159 -4.983 1.00 34.44 H new ATOM 443 N TYR A 28 3.666 3.547 1.188 1.00 14.32 N ATOM 444 CA TYR A 28 2.585 2.623 1.531 1.00 44.01 C ATOM 445 C TYR A 28 2.199 1.750 0.324 1.00 54.31 C ATOM 446 O TYR A 28 1.689 2.252 -0.682 1.00 33.22 O ATOM 447 CB TYR A 28 1.362 3.415 2.018 1.00 15.44 C ATOM 448 CG TYR A 28 1.648 4.326 3.202 1.00 40.32 C ATOM 449 CD1 TYR A 28 2.262 5.563 3.020 1.00 55.11 C ATOM 450 CD2 TYR A 28 1.306 3.953 4.496 1.00 4.33 C ATOM 451 CE1 TYR A 28 2.523 6.396 4.091 1.00 14.32 C ATOM 452 CE2 TYR A 28 1.565 4.782 5.572 1.00 62.14 C ATOM 453 CZ TYR A 28 2.173 6.001 5.364 1.00 34.12 C ATOM 454 OH TYR A 28 2.432 6.829 6.435 1.00 10.55 O ATOM 0 H TYR A 28 3.355 4.401 0.725 1.00 14.32 H new ATOM 0 HA TYR A 28 2.934 1.965 2.327 1.00 44.01 H new ATOM 0 HB2 TYR A 28 0.979 4.017 1.194 1.00 15.44 H new ATOM 0 HB3 TYR A 28 0.574 2.714 2.294 1.00 15.44 H new ATOM 0 HD1 TYR A 28 2.539 5.876 2.024 1.00 55.11 H new ATOM 0 HD2 TYR A 28 0.829 2.999 4.664 1.00 4.33 H new ATOM 0 HE1 TYR A 28 2.999 7.352 3.931 1.00 14.32 H new ATOM 0 HE2 TYR A 28 1.292 4.475 6.571 1.00 62.14 H new ATOM 0 HH TYR A 28 2.122 6.402 7.261 1.00 10.55 H new ATOM 464 N GLN A 29 2.445 0.447 0.438 1.00 31.21 N ATOM 465 CA GLN A 29 2.064 -0.518 -0.598 1.00 65.33 C ATOM 466 C GLN A 29 0.671 -1.100 -0.328 1.00 14.24 C ATOM 467 O GLN A 29 0.482 -1.878 0.611 1.00 61.30 O ATOM 468 CB GLN A 29 3.073 -1.677 -0.669 1.00 23.40 C ATOM 469 CG GLN A 29 4.502 -1.256 -0.997 1.00 2.01 C ATOM 470 CD GLN A 29 5.423 -2.451 -1.207 1.00 62.32 C ATOM 471 OE1 GLN A 29 5.227 -3.515 -0.629 1.00 42.20 O ATOM 472 NE2 GLN A 29 6.432 -2.287 -2.037 1.00 70.51 N ATOM 0 H GLN A 29 2.911 0.030 1.244 1.00 31.21 H new ATOM 0 HA GLN A 29 2.056 0.020 -1.546 1.00 65.33 H new ATOM 0 HB2 GLN A 29 3.073 -2.200 0.287 1.00 23.40 H new ATOM 0 HB3 GLN A 29 2.736 -2.389 -1.422 1.00 23.40 H new ATOM 0 HG2 GLN A 29 4.500 -0.640 -1.896 1.00 2.01 H new ATOM 0 HG3 GLN A 29 4.891 -0.638 -0.188 1.00 2.01 H new ATOM 0 HE21 GLN A 29 6.569 -1.390 -2.503 1.00 70.51 H new ATOM 0 HE22 GLN A 29 7.077 -3.057 -2.214 1.00 70.51 H new ATOM 481 N LEU A 30 -0.301 -0.711 -1.140 1.00 33.51 N ATOM 482 CA LEU A 30 -1.634 -1.309 -1.081 1.00 21.14 C ATOM 483 C LEU A 30 -1.601 -2.747 -1.620 1.00 4.40 C ATOM 484 O LEU A 30 -1.415 -2.973 -2.820 1.00 34.25 O ATOM 485 CB LEU A 30 -2.641 -0.465 -1.878 1.00 52.04 C ATOM 486 CG LEU A 30 -4.083 -1.002 -1.886 1.00 1.41 C ATOM 487 CD1 LEU A 30 -4.646 -1.083 -0.466 1.00 61.01 C ATOM 488 CD2 LEU A 30 -4.976 -0.141 -2.776 1.00 43.42 C ATOM 0 H LEU A 30 -0.195 0.015 -1.848 1.00 33.51 H new ATOM 0 HA LEU A 30 -1.952 -1.334 -0.039 1.00 21.14 H new ATOM 0 HB2 LEU A 30 -2.649 0.545 -1.469 1.00 52.04 H new ATOM 0 HB3 LEU A 30 -2.293 -0.389 -2.908 1.00 52.04 H new ATOM 0 HG LEU A 30 -4.064 -2.011 -2.297 1.00 1.41 H new ATOM 0 HD11 LEU A 30 -5.666 -1.465 -0.500 1.00 61.01 H new ATOM 0 HD12 LEU A 30 -4.028 -1.752 0.133 1.00 61.01 H new ATOM 0 HD13 LEU A 30 -4.646 -0.090 -0.017 1.00 61.01 H new ATOM 0 HD21 LEU A 30 -5.991 -0.539 -2.767 1.00 43.42 H new ATOM 0 HD22 LEU A 30 -4.984 0.883 -2.402 1.00 43.42 H new ATOM 0 HD23 LEU A 30 -4.591 -0.151 -3.796 1.00 43.42 H new ATOM 500 N ARG A 31 -1.762 -3.715 -0.724 1.00 33.31 N ATOM 501 CA ARG A 31 -1.730 -5.132 -1.092 1.00 51.42 C ATOM 502 C ARG A 31 -2.996 -5.857 -0.632 1.00 70.11 C ATOM 503 O ARG A 31 -3.687 -5.412 0.283 1.00 4.32 O ATOM 504 CB ARG A 31 -0.510 -5.823 -0.464 1.00 24.30 C ATOM 505 CG ARG A 31 0.843 -5.307 -0.950 1.00 74.20 C ATOM 506 CD ARG A 31 1.989 -6.075 -0.293 1.00 41.53 C ATOM 507 NE ARG A 31 3.305 -5.681 -0.804 1.00 24.50 N ATOM 508 CZ ARG A 31 4.267 -6.527 -1.072 1.00 40.44 C ATOM 509 NH1 ARG A 31 4.096 -7.798 -0.872 1.00 71.15 N ATOM 510 NH2 ARG A 31 5.404 -6.098 -1.517 1.00 24.20 N ATOM 0 H ARG A 31 -1.917 -3.545 0.270 1.00 33.31 H new ATOM 0 HA ARG A 31 -1.667 -5.182 -2.179 1.00 51.42 H new ATOM 0 HB2 ARG A 31 -0.560 -5.704 0.618 1.00 24.30 H new ATOM 0 HB3 ARG A 31 -0.570 -6.892 -0.670 1.00 24.30 H new ATOM 0 HG2 ARG A 31 0.907 -5.408 -2.033 1.00 74.20 H new ATOM 0 HG3 ARG A 31 0.934 -4.245 -0.722 1.00 74.20 H new ATOM 0 HD2 ARG A 31 1.959 -5.911 0.784 1.00 41.53 H new ATOM 0 HD3 ARG A 31 1.846 -7.143 -0.457 1.00 41.53 H new ATOM 0 HE ARG A 31 3.482 -4.689 -0.960 1.00 24.50 H new ATOM 0 HH11 ARG A 31 3.209 -8.142 -0.504 1.00 71.15 H new ATOM 0 HH12 ARG A 31 4.849 -8.453 -1.082 1.00 71.15 H new ATOM 0 HH21 ARG A 31 5.552 -5.099 -1.659 1.00 24.20 H new ATOM 0 HH22 ARG A 31 6.152 -6.759 -1.725 1.00 24.20 H new ATOM 524 N ALA A 32 -3.292 -6.979 -1.269 1.00 3.34 N ATOM 525 CA ALA A 32 -4.377 -7.856 -0.827 1.00 72.52 C ATOM 526 C ALA A 32 -3.825 -9.232 -0.440 1.00 25.13 C ATOM 527 O ALA A 32 -2.732 -9.607 -0.859 1.00 13.11 O ATOM 528 CB ALA A 32 -5.431 -7.993 -1.919 1.00 23.33 C ATOM 0 H ALA A 32 -2.797 -7.309 -2.097 1.00 3.34 H new ATOM 0 HA ALA A 32 -4.846 -7.411 0.050 1.00 72.52 H new ATOM 0 HB1 ALA A 32 -6.230 -8.649 -1.573 1.00 23.33 H new ATOM 0 HB2 ALA A 32 -5.843 -7.011 -2.153 1.00 23.33 H new ATOM 0 HB3 ALA A 32 -4.975 -8.417 -2.813 1.00 23.33 H new ATOM 534 N ASP A 33 -4.559 -9.962 0.387 1.00 11.21 N ATOM 535 CA ASP A 33 -4.190 -11.335 0.742 1.00 64.31 C ATOM 536 C ASP A 33 -4.755 -12.329 -0.290 1.00 30.45 C ATOM 537 O ASP A 33 -4.281 -13.457 -0.421 1.00 4.11 O ATOM 538 CB ASP A 33 -4.709 -11.660 2.150 1.00 1.42 C ATOM 539 CG ASP A 33 -4.291 -13.037 2.631 1.00 75.34 C ATOM 540 OD1 ASP A 33 -3.126 -13.203 3.046 1.00 55.13 O ATOM 541 OD2 ASP A 33 -5.126 -13.963 2.605 1.00 73.20 O ATOM 0 H ASP A 33 -5.417 -9.630 0.829 1.00 11.21 H new ATOM 0 HA ASP A 33 -3.104 -11.426 0.737 1.00 64.31 H new ATOM 0 HB2 ASP A 33 -4.341 -10.909 2.849 1.00 1.42 H new ATOM 0 HB3 ASP A 33 -5.797 -11.594 2.155 1.00 1.42 H new ATOM 546 N HIS A 34 -5.769 -11.886 -1.029 1.00 34.02 N ATOM 547 CA HIS A 34 -6.430 -12.716 -2.041 1.00 4.21 C ATOM 548 C HIS A 34 -6.461 -11.998 -3.405 1.00 3.44 C ATOM 549 O HIS A 34 -6.704 -10.795 -3.463 1.00 15.42 O ATOM 550 CB HIS A 34 -7.860 -13.042 -1.587 1.00 30.15 C ATOM 551 CG HIS A 34 -7.923 -13.696 -0.239 1.00 61.40 C ATOM 552 ND1 HIS A 34 -8.337 -13.037 0.899 1.00 14.20 N ATOM 553 CD2 HIS A 34 -7.630 -14.958 0.152 1.00 35.11 C ATOM 554 CE1 HIS A 34 -8.288 -13.860 1.925 1.00 53.25 C ATOM 555 NE2 HIS A 34 -7.867 -15.030 1.499 1.00 54.41 N ATOM 0 H HIS A 34 -6.157 -10.946 -0.946 1.00 34.02 H new ATOM 0 HA HIS A 34 -5.865 -13.641 -2.155 1.00 4.21 H new ATOM 0 HB2 HIS A 34 -8.444 -12.122 -1.564 1.00 30.15 H new ATOM 0 HB3 HIS A 34 -8.326 -13.697 -2.323 1.00 30.15 H new ATOM 0 HD1 HIS A 34 -8.635 -12.062 0.940 1.00 14.20 H new ATOM 0 HD2 HIS A 34 -7.276 -15.759 -0.480 1.00 35.11 H new ATOM 0 HE1 HIS A 34 -8.549 -13.615 2.944 1.00 53.25 H new ATOM 564 N PRO A 35 -6.210 -12.714 -4.527 1.00 74.20 N ATOM 565 CA PRO A 35 -5.903 -14.160 -4.541 1.00 42.34 C ATOM 566 C PRO A 35 -4.423 -14.475 -4.246 1.00 60.13 C ATOM 567 O PRO A 35 -4.019 -15.638 -4.212 1.00 73.33 O ATOM 568 CB PRO A 35 -6.263 -14.551 -5.977 1.00 4.54 C ATOM 569 CG PRO A 35 -5.898 -13.342 -6.774 1.00 12.01 C ATOM 570 CD PRO A 35 -6.227 -12.154 -5.898 1.00 50.03 C ATOM 0 HA PRO A 35 -6.446 -14.704 -3.768 1.00 42.34 H new ATOM 0 HB2 PRO A 35 -5.707 -15.429 -6.304 1.00 4.54 H new ATOM 0 HB3 PRO A 35 -7.322 -14.790 -6.074 1.00 4.54 H new ATOM 0 HG2 PRO A 35 -4.840 -13.352 -7.037 1.00 12.01 H new ATOM 0 HG3 PRO A 35 -6.459 -13.306 -7.708 1.00 12.01 H new ATOM 0 HD2 PRO A 35 -5.494 -11.356 -6.014 1.00 50.03 H new ATOM 0 HD3 PRO A 35 -7.201 -11.731 -6.146 1.00 50.03 H new ATOM 578 N LYS A 36 -3.624 -13.427 -4.049 1.00 11.41 N ATOM 579 CA LYS A 36 -2.203 -13.568 -3.703 1.00 0.23 C ATOM 580 C LYS A 36 -1.820 -12.574 -2.597 1.00 2.02 C ATOM 581 O LYS A 36 -2.284 -11.437 -2.603 1.00 2.03 O ATOM 582 CB LYS A 36 -1.310 -13.319 -4.929 1.00 15.32 C ATOM 583 CG LYS A 36 -1.424 -14.377 -6.020 1.00 42.34 C ATOM 584 CD LYS A 36 -0.375 -14.161 -7.106 1.00 53.21 C ATOM 585 CE LYS A 36 -0.468 -15.212 -8.206 1.00 71.11 C ATOM 586 NZ LYS A 36 -0.249 -16.588 -7.685 1.00 63.11 N ATOM 0 H LYS A 36 -3.938 -12.459 -4.123 1.00 11.41 H new ATOM 0 HA LYS A 36 -2.049 -14.588 -3.351 1.00 0.23 H new ATOM 0 HB2 LYS A 36 -1.562 -12.348 -5.355 1.00 15.32 H new ATOM 0 HB3 LYS A 36 -0.272 -13.264 -4.601 1.00 15.32 H new ATOM 0 HG2 LYS A 36 -1.301 -15.368 -5.584 1.00 42.34 H new ATOM 0 HG3 LYS A 36 -2.420 -14.344 -6.461 1.00 42.34 H new ATOM 0 HD2 LYS A 36 -0.502 -13.169 -7.540 1.00 53.21 H new ATOM 0 HD3 LYS A 36 0.619 -14.189 -6.660 1.00 53.21 H new ATOM 0 HE2 LYS A 36 -1.449 -15.156 -8.679 1.00 71.11 H new ATOM 0 HE3 LYS A 36 0.271 -14.995 -8.978 1.00 71.11 H new ATOM 0 HZ1 LYS A 36 -0.118 -17.244 -8.481 1.00 63.11 H new ATOM 0 HZ2 LYS A 36 0.599 -16.600 -7.083 1.00 63.11 H new ATOM 0 HZ3 LYS A 36 -1.075 -16.883 -7.126 1.00 63.11 H new ATOM 600 N PRO A 37 -0.943 -12.972 -1.654 1.00 32.32 N ATOM 601 CA PRO A 37 -0.549 -12.105 -0.531 1.00 71.31 C ATOM 602 C PRO A 37 0.349 -10.930 -0.969 1.00 13.02 C ATOM 603 O PRO A 37 0.231 -9.816 -0.457 1.00 60.03 O ATOM 604 CB PRO A 37 0.200 -13.062 0.408 1.00 1.20 C ATOM 605 CG PRO A 37 0.717 -14.147 -0.476 1.00 31.34 C ATOM 606 CD PRO A 37 -0.260 -14.279 -1.618 1.00 21.24 C ATOM 0 HA PRO A 37 -1.408 -11.623 -0.065 1.00 71.31 H new ATOM 0 HB2 PRO A 37 1.014 -12.552 0.924 1.00 1.20 H new ATOM 0 HB3 PRO A 37 -0.463 -13.461 1.175 1.00 1.20 H new ATOM 0 HG2 PRO A 37 1.713 -13.903 -0.845 1.00 31.34 H new ATOM 0 HG3 PRO A 37 0.801 -15.086 0.072 1.00 31.34 H new ATOM 0 HD2 PRO A 37 0.250 -14.489 -2.558 1.00 21.24 H new ATOM 0 HD3 PRO A 37 -0.965 -15.093 -1.449 1.00 21.24 H new ATOM 614 N ASP A 38 1.241 -11.175 -1.930 1.00 42.50 N ATOM 615 CA ASP A 38 2.100 -10.116 -2.477 1.00 4.13 C ATOM 616 C ASP A 38 1.434 -9.399 -3.665 1.00 63.34 C ATOM 617 O ASP A 38 2.115 -8.813 -4.512 1.00 4.32 O ATOM 618 CB ASP A 38 3.451 -10.697 -2.901 1.00 42.21 C ATOM 619 CG ASP A 38 4.278 -11.152 -1.714 1.00 61.03 C ATOM 620 OD1 ASP A 38 4.131 -12.318 -1.292 1.00 74.32 O ATOM 621 OD2 ASP A 38 5.077 -10.344 -1.193 1.00 44.24 O ATOM 0 H ASP A 38 1.390 -12.094 -2.347 1.00 42.50 H new ATOM 0 HA ASP A 38 2.257 -9.378 -1.690 1.00 4.13 H new ATOM 0 HB2 ASP A 38 3.287 -11.540 -3.572 1.00 42.21 H new ATOM 0 HB3 ASP A 38 4.007 -9.946 -3.462 1.00 42.21 H new ATOM 626 N SER A 39 0.105 -9.434 -3.718 1.00 74.30 N ATOM 627 CA SER A 39 -0.648 -8.752 -4.782 1.00 3.32 C ATOM 628 C SER A 39 -0.471 -7.230 -4.689 1.00 75.10 C ATOM 629 O SER A 39 -1.132 -6.557 -3.895 1.00 20.34 O ATOM 630 CB SER A 39 -2.139 -9.112 -4.711 1.00 53.51 C ATOM 631 OG SER A 39 -2.696 -8.766 -3.453 1.00 5.34 O ATOM 0 H SER A 39 -0.478 -9.925 -3.040 1.00 74.30 H new ATOM 0 HA SER A 39 -0.251 -9.090 -5.739 1.00 3.32 H new ATOM 0 HB2 SER A 39 -2.678 -8.594 -5.504 1.00 53.51 H new ATOM 0 HB3 SER A 39 -2.265 -10.181 -4.885 1.00 53.51 H new ATOM 0 HG SER A 39 -2.583 -9.513 -2.829 1.00 5.34 H new ATOM 637 N LEU A 40 0.449 -6.694 -5.485 1.00 35.42 N ATOM 638 CA LEU A 40 0.737 -5.261 -5.470 1.00 13.50 C ATOM 639 C LEU A 40 -0.319 -4.477 -6.255 1.00 45.10 C ATOM 640 O LEU A 40 -0.324 -4.478 -7.490 1.00 63.01 O ATOM 641 CB LEU A 40 2.135 -4.995 -6.047 1.00 1.23 C ATOM 642 CG LEU A 40 2.626 -3.542 -5.928 1.00 2.41 C ATOM 643 CD1 LEU A 40 2.726 -3.125 -4.461 1.00 3.14 C ATOM 644 CD2 LEU A 40 3.966 -3.369 -6.637 1.00 42.22 C ATOM 0 H LEU A 40 1.009 -7.229 -6.149 1.00 35.42 H new ATOM 0 HA LEU A 40 0.709 -4.921 -4.435 1.00 13.50 H new ATOM 0 HB2 LEU A 40 2.849 -5.646 -5.542 1.00 1.23 H new ATOM 0 HB3 LEU A 40 2.136 -5.277 -7.100 1.00 1.23 H new ATOM 0 HG LEU A 40 1.899 -2.892 -6.415 1.00 2.41 H new ATOM 0 HD11 LEU A 40 3.075 -2.094 -4.399 1.00 3.14 H new ATOM 0 HD12 LEU A 40 1.745 -3.205 -3.992 1.00 3.14 H new ATOM 0 HD13 LEU A 40 3.429 -3.778 -3.944 1.00 3.14 H new ATOM 0 HD21 LEU A 40 4.297 -2.335 -6.542 1.00 42.22 H new ATOM 0 HD22 LEU A 40 4.705 -4.030 -6.184 1.00 42.22 H new ATOM 0 HD23 LEU A 40 3.854 -3.619 -7.692 1.00 42.22 H new ATOM 656 N ILE A 41 -1.232 -3.832 -5.534 1.00 73.34 N ATOM 657 CA ILE A 41 -2.296 -3.042 -6.159 1.00 25.45 C ATOM 658 C ILE A 41 -1.811 -1.623 -6.494 1.00 1.33 C ATOM 659 O ILE A 41 -2.008 -1.131 -7.608 1.00 42.32 O ATOM 660 CB ILE A 41 -3.546 -2.955 -5.241 1.00 52.41 C ATOM 661 CG1 ILE A 41 -3.980 -4.362 -4.783 1.00 33.45 C ATOM 662 CG2 ILE A 41 -4.696 -2.237 -5.956 1.00 34.33 C ATOM 663 CD1 ILE A 41 -4.320 -5.309 -5.917 1.00 12.22 C ATOM 0 H ILE A 41 -1.259 -3.839 -4.514 1.00 73.34 H new ATOM 0 HA ILE A 41 -2.570 -3.551 -7.083 1.00 25.45 H new ATOM 0 HB ILE A 41 -3.282 -2.374 -4.357 1.00 52.41 H new ATOM 0 HG12 ILE A 41 -3.180 -4.800 -4.187 1.00 33.45 H new ATOM 0 HG13 ILE A 41 -4.848 -4.268 -4.131 1.00 33.45 H new ATOM 0 HG21 ILE A 41 -5.561 -2.187 -5.295 1.00 34.33 H new ATOM 0 HG22 ILE A 41 -4.385 -1.227 -6.223 1.00 34.33 H new ATOM 0 HG23 ILE A 41 -4.961 -2.785 -6.860 1.00 34.33 H new ATOM 0 HD11 ILE A 41 -4.615 -6.275 -5.508 1.00 12.22 H new ATOM 0 HD12 ILE A 41 -5.142 -4.896 -6.502 1.00 12.22 H new ATOM 0 HD13 ILE A 41 -3.448 -5.437 -6.558 1.00 12.22 H new ATOM 675 N SER A 42 -1.164 -0.973 -5.526 1.00 65.12 N ATOM 676 CA SER A 42 -0.670 0.402 -5.709 1.00 72.22 C ATOM 677 C SER A 42 0.354 0.791 -4.635 1.00 52.33 C ATOM 678 O SER A 42 0.377 0.214 -3.551 1.00 74.13 O ATOM 679 CB SER A 42 -1.837 1.398 -5.674 1.00 73.21 C ATOM 680 OG SER A 42 -1.378 2.732 -5.808 1.00 32.22 O ATOM 0 H SER A 42 -0.968 -1.371 -4.608 1.00 65.12 H new ATOM 0 HA SER A 42 -0.178 0.438 -6.681 1.00 72.22 H new ATOM 0 HB2 SER A 42 -2.537 1.169 -6.477 1.00 73.21 H new ATOM 0 HB3 SER A 42 -2.382 1.291 -4.736 1.00 73.21 H new ATOM 0 HG SER A 42 -1.893 3.187 -6.507 1.00 32.22 H new ATOM 686 N GLU A 43 1.198 1.778 -4.945 1.00 64.31 N ATOM 687 CA GLU A 43 2.179 2.310 -3.984 1.00 11.14 C ATOM 688 C GLU A 43 2.111 3.844 -3.927 1.00 12.42 C ATOM 689 O GLU A 43 2.226 4.513 -4.953 1.00 72.45 O ATOM 690 CB GLU A 43 3.603 1.877 -4.368 1.00 32.51 C ATOM 691 CG GLU A 43 3.821 0.369 -4.341 1.00 21.23 C ATOM 692 CD GLU A 43 5.223 -0.033 -4.774 1.00 75.34 C ATOM 693 OE1 GLU A 43 5.447 -0.225 -5.989 1.00 51.50 O ATOM 694 OE2 GLU A 43 6.112 -0.156 -3.906 1.00 32.11 O ATOM 0 H GLU A 43 1.225 2.230 -5.859 1.00 64.31 H new ATOM 0 HA GLU A 43 1.934 1.906 -3.002 1.00 11.14 H new ATOM 0 HB2 GLU A 43 3.827 2.248 -5.368 1.00 32.51 H new ATOM 0 HB3 GLU A 43 4.311 2.348 -3.687 1.00 32.51 H new ATOM 0 HG2 GLU A 43 3.637 -0.002 -3.333 1.00 21.23 H new ATOM 0 HG3 GLU A 43 3.092 -0.110 -4.995 1.00 21.23 H new ATOM 701 N HIS A 44 1.918 4.401 -2.733 1.00 21.41 N ATOM 702 CA HIS A 44 1.831 5.862 -2.565 1.00 3.14 C ATOM 703 C HIS A 44 2.569 6.332 -1.299 1.00 14.44 C ATOM 704 O HIS A 44 2.590 5.633 -0.290 1.00 30.24 O ATOM 705 CB HIS A 44 0.362 6.309 -2.520 1.00 33.42 C ATOM 706 CG HIS A 44 -0.348 6.174 -3.834 1.00 14.32 C ATOM 707 ND1 HIS A 44 -1.527 5.482 -3.988 1.00 72.20 N ATOM 708 CD2 HIS A 44 -0.049 6.675 -5.058 1.00 70.54 C ATOM 709 CE1 HIS A 44 -1.925 5.562 -5.243 1.00 23.15 C ATOM 710 NE2 HIS A 44 -1.047 6.280 -5.912 1.00 2.02 N ATOM 0 H HIS A 44 1.818 3.871 -1.867 1.00 21.41 H new ATOM 0 HA HIS A 44 2.318 6.323 -3.425 1.00 3.14 H new ATOM 0 HB2 HIS A 44 -0.165 5.720 -1.770 1.00 33.42 H new ATOM 0 HB3 HIS A 44 0.317 7.349 -2.198 1.00 33.42 H new ATOM 0 HD2 HIS A 44 0.813 7.273 -5.313 1.00 70.54 H new ATOM 0 HE1 HIS A 44 -2.819 5.115 -5.652 1.00 23.15 H new ATOM 0 HE2 HIS A 44 -1.100 6.506 -6.905 1.00 2.02 H new ATOM 719 N PRO A 45 3.179 7.538 -1.335 1.00 31.11 N ATOM 720 CA PRO A 45 3.987 8.054 -0.212 1.00 65.31 C ATOM 721 C PRO A 45 3.140 8.570 0.964 1.00 41.20 C ATOM 722 O PRO A 45 3.667 8.844 2.045 1.00 12.31 O ATOM 723 CB PRO A 45 4.771 9.203 -0.856 1.00 64.42 C ATOM 724 CG PRO A 45 3.874 9.704 -1.937 1.00 24.34 C ATOM 725 CD PRO A 45 3.137 8.495 -2.464 1.00 35.42 C ATOM 0 HA PRO A 45 4.608 7.275 0.229 1.00 65.31 H new ATOM 0 HB2 PRO A 45 4.996 9.986 -0.132 1.00 64.42 H new ATOM 0 HB3 PRO A 45 5.723 8.858 -1.258 1.00 64.42 H new ATOM 0 HG2 PRO A 45 3.177 10.448 -1.551 1.00 24.34 H new ATOM 0 HG3 PRO A 45 4.449 10.186 -2.728 1.00 24.34 H new ATOM 0 HD2 PRO A 45 2.112 8.741 -2.743 1.00 35.42 H new ATOM 0 HD3 PRO A 45 3.620 8.088 -3.352 1.00 35.42 H new ATOM 733 N THR A 46 1.832 8.726 0.741 1.00 33.32 N ATOM 734 CA THR A 46 0.903 9.181 1.791 1.00 34.13 C ATOM 735 C THR A 46 -0.167 8.120 2.084 1.00 3.13 C ATOM 736 O THR A 46 -0.651 7.439 1.174 1.00 4.23 O ATOM 737 CB THR A 46 0.182 10.496 1.403 1.00 63.22 C ATOM 738 OG1 THR A 46 -0.743 10.258 0.329 1.00 40.04 O ATOM 739 CG2 THR A 46 1.183 11.572 0.985 1.00 13.22 C ATOM 0 H THR A 46 1.387 8.544 -0.159 1.00 33.32 H new ATOM 0 HA THR A 46 1.514 9.354 2.677 1.00 34.13 H new ATOM 0 HB THR A 46 -0.361 10.849 2.280 1.00 63.22 H new ATOM 0 HG1 THR A 46 -0.260 10.251 -0.523 1.00 40.04 H new ATOM 0 HG21 THR A 46 0.648 12.483 0.718 1.00 13.22 H new ATOM 0 HG22 THR A 46 1.862 11.779 1.813 1.00 13.22 H new ATOM 0 HG23 THR A 46 1.755 11.223 0.125 1.00 13.22 H new ATOM 747 N ALA A 47 -0.544 7.986 3.355 1.00 4.01 N ATOM 748 CA ALA A 47 -1.571 7.019 3.755 1.00 25.41 C ATOM 749 C ALA A 47 -2.944 7.385 3.170 1.00 50.14 C ATOM 750 O ALA A 47 -3.736 6.507 2.836 1.00 11.01 O ATOM 751 CB ALA A 47 -1.641 6.920 5.277 1.00 11.24 C ATOM 0 H ALA A 47 -0.156 8.532 4.125 1.00 4.01 H new ATOM 0 HA ALA A 47 -1.292 6.045 3.353 1.00 25.41 H new ATOM 0 HB1 ALA A 47 -2.408 6.199 5.560 1.00 11.24 H new ATOM 0 HB2 ALA A 47 -0.676 6.595 5.665 1.00 11.24 H new ATOM 0 HB3 ALA A 47 -1.890 7.896 5.694 1.00 11.24 H new ATOM 757 N GLN A 48 -3.204 8.685 3.033 1.00 1.44 N ATOM 758 CA GLN A 48 -4.457 9.183 2.446 1.00 24.35 C ATOM 759 C GLN A 48 -4.715 8.566 1.060 1.00 5.22 C ATOM 760 O GLN A 48 -5.818 8.088 0.782 1.00 44.44 O ATOM 761 CB GLN A 48 -4.414 10.718 2.339 1.00 32.22 C ATOM 762 CG GLN A 48 -5.676 11.344 1.742 1.00 51.42 C ATOM 763 CD GLN A 48 -6.919 11.122 2.591 1.00 42.42 C ATOM 764 OE1 GLN A 48 -7.232 11.912 3.476 1.00 12.32 O ATOM 765 NE2 GLN A 48 -7.637 10.048 2.326 1.00 71.54 N ATOM 0 H GLN A 48 -2.560 9.421 3.322 1.00 1.44 H new ATOM 0 HA GLN A 48 -5.276 8.887 3.102 1.00 24.35 H new ATOM 0 HB2 GLN A 48 -4.251 11.135 3.333 1.00 32.22 H new ATOM 0 HB3 GLN A 48 -3.557 11.004 1.729 1.00 32.22 H new ATOM 0 HG2 GLN A 48 -5.517 12.415 1.616 1.00 51.42 H new ATOM 0 HG3 GLN A 48 -5.844 10.928 0.749 1.00 51.42 H new ATOM 0 HE21 GLN A 48 -7.348 9.412 1.583 1.00 71.54 H new ATOM 0 HE22 GLN A 48 -8.481 9.854 2.864 1.00 71.54 H new ATOM 774 N GLU A 49 -3.698 8.578 0.197 1.00 63.34 N ATOM 775 CA GLU A 49 -3.808 7.972 -1.139 1.00 3.32 C ATOM 776 C GLU A 49 -4.058 6.455 -1.053 1.00 35.53 C ATOM 777 O GLU A 49 -4.877 5.905 -1.794 1.00 74.15 O ATOM 778 CB GLU A 49 -2.533 8.233 -1.955 1.00 41.00 C ATOM 779 CG GLU A 49 -2.296 9.698 -2.310 1.00 14.12 C ATOM 780 CD GLU A 49 -1.001 9.902 -3.089 1.00 52.01 C ATOM 781 OE1 GLU A 49 -1.025 9.789 -4.333 1.00 35.31 O ATOM 782 OE2 GLU A 49 0.049 10.156 -2.460 1.00 13.51 O ATOM 0 H GLU A 49 -2.790 8.998 0.394 1.00 63.34 H new ATOM 0 HA GLU A 49 -4.660 8.435 -1.636 1.00 3.32 H new ATOM 0 HB2 GLU A 49 -1.675 7.866 -1.392 1.00 41.00 H new ATOM 0 HB3 GLU A 49 -2.582 7.653 -2.876 1.00 41.00 H new ATOM 0 HG2 GLU A 49 -3.135 10.067 -2.901 1.00 14.12 H new ATOM 0 HG3 GLU A 49 -2.265 10.291 -1.396 1.00 14.12 H new ATOM 789 N ALA A 50 -3.341 5.788 -0.149 1.00 65.41 N ATOM 790 CA ALA A 50 -3.479 4.339 0.034 1.00 23.23 C ATOM 791 C ALA A 50 -4.882 3.964 0.542 1.00 5.42 C ATOM 792 O ALA A 50 -5.497 3.020 0.051 1.00 2.51 O ATOM 793 CB ALA A 50 -2.408 3.828 0.993 1.00 14.32 C ATOM 0 H ALA A 50 -2.658 6.226 0.469 1.00 65.41 H new ATOM 0 HA ALA A 50 -3.344 3.863 -0.937 1.00 23.23 H new ATOM 0 HB1 ALA A 50 -2.519 2.751 1.122 1.00 14.32 H new ATOM 0 HB2 ALA A 50 -1.421 4.045 0.585 1.00 14.32 H new ATOM 0 HB3 ALA A 50 -2.518 4.322 1.958 1.00 14.32 H new ATOM 799 N MET A 51 -5.380 4.722 1.514 1.00 42.11 N ATOM 800 CA MET A 51 -6.713 4.496 2.088 1.00 3.45 C ATOM 801 C MET A 51 -7.823 4.787 1.062 1.00 1.21 C ATOM 802 O MET A 51 -8.827 4.071 0.994 1.00 74.41 O ATOM 803 CB MET A 51 -6.894 5.375 3.336 1.00 42.14 C ATOM 804 CG MET A 51 -5.959 5.008 4.485 1.00 42.24 C ATOM 805 SD MET A 51 -6.106 6.130 5.895 1.00 55.33 S ATOM 806 CE MET A 51 -7.813 5.863 6.372 1.00 31.31 C ATOM 0 H MET A 51 -4.878 5.508 1.928 1.00 42.11 H new ATOM 0 HA MET A 51 -6.792 3.446 2.370 1.00 3.45 H new ATOM 0 HB2 MET A 51 -6.728 6.417 3.063 1.00 42.14 H new ATOM 0 HB3 MET A 51 -7.926 5.296 3.679 1.00 42.14 H new ATOM 0 HG2 MET A 51 -6.175 3.991 4.812 1.00 42.24 H new ATOM 0 HG3 MET A 51 -4.930 5.016 4.126 1.00 42.24 H new ATOM 0 HE1 MET A 51 -7.976 6.254 7.376 1.00 31.31 H new ATOM 0 HE2 MET A 51 -8.471 6.377 5.671 1.00 31.31 H new ATOM 0 HE3 MET A 51 -8.032 4.795 6.359 1.00 31.31 H new ATOM 816 N ASP A 52 -7.634 5.840 0.265 1.00 61.42 N ATOM 817 CA ASP A 52 -8.589 6.193 -0.793 1.00 44.42 C ATOM 818 C ASP A 52 -8.672 5.086 -1.858 1.00 3.14 C ATOM 819 O ASP A 52 -9.754 4.760 -2.351 1.00 23.31 O ATOM 820 CB ASP A 52 -8.192 7.526 -1.445 1.00 0.45 C ATOM 821 CG ASP A 52 -9.186 7.968 -2.507 1.00 12.34 C ATOM 822 OD1 ASP A 52 -10.337 8.292 -2.149 1.00 2.51 O ATOM 823 OD2 ASP A 52 -8.830 7.988 -3.702 1.00 70.32 O ATOM 0 H ASP A 52 -6.830 6.464 0.330 1.00 61.42 H new ATOM 0 HA ASP A 52 -9.573 6.299 -0.337 1.00 44.42 H new ATOM 0 HB2 ASP A 52 -8.118 8.296 -0.677 1.00 0.45 H new ATOM 0 HB3 ASP A 52 -7.204 7.428 -1.894 1.00 0.45 H new ATOM 828 N ALA A 53 -7.517 4.516 -2.204 1.00 52.22 N ATOM 829 CA ALA A 53 -7.450 3.410 -3.166 1.00 31.43 C ATOM 830 C ALA A 53 -7.920 2.086 -2.535 1.00 23.12 C ATOM 831 O ALA A 53 -8.505 1.238 -3.209 1.00 13.11 O ATOM 832 CB ALA A 53 -6.027 3.271 -3.703 1.00 31.24 C ATOM 0 H ALA A 53 -6.611 4.802 -1.832 1.00 52.22 H new ATOM 0 HA ALA A 53 -8.123 3.638 -3.993 1.00 31.43 H new ATOM 0 HB1 ALA A 53 -5.986 2.448 -4.416 1.00 31.24 H new ATOM 0 HB2 ALA A 53 -5.733 4.196 -4.199 1.00 31.24 H new ATOM 0 HB3 ALA A 53 -5.345 3.070 -2.877 1.00 31.24 H new ATOM 838 N LYS A 54 -7.665 1.923 -1.237 1.00 55.00 N ATOM 839 CA LYS A 54 -8.071 0.719 -0.502 1.00 60.23 C ATOM 840 C LYS A 54 -9.595 0.524 -0.551 1.00 41.21 C ATOM 841 O LYS A 54 -10.082 -0.538 -0.941 1.00 43.24 O ATOM 842 CB LYS A 54 -7.582 0.809 0.951 1.00 1.45 C ATOM 843 CG LYS A 54 -7.857 -0.438 1.788 1.00 2.41 C ATOM 844 CD LYS A 54 -7.224 -0.331 3.175 1.00 12.41 C ATOM 845 CE LYS A 54 -7.511 -1.560 4.032 1.00 12.03 C ATOM 846 NZ LYS A 54 -8.967 -1.729 4.310 1.00 0.54 N ATOM 0 H LYS A 54 -7.176 2.613 -0.667 1.00 55.00 H new ATOM 0 HA LYS A 54 -7.614 -0.148 -0.979 1.00 60.23 H new ATOM 0 HB2 LYS A 54 -6.509 1.001 0.949 1.00 1.45 H new ATOM 0 HB3 LYS A 54 -8.058 1.665 1.429 1.00 1.45 H new ATOM 0 HG2 LYS A 54 -8.933 -0.581 1.888 1.00 2.41 H new ATOM 0 HG3 LYS A 54 -7.465 -1.316 1.275 1.00 2.41 H new ATOM 0 HD2 LYS A 54 -6.146 -0.204 3.073 1.00 12.41 H new ATOM 0 HD3 LYS A 54 -7.603 0.558 3.679 1.00 12.41 H new ATOM 0 HE2 LYS A 54 -7.134 -2.449 3.526 1.00 12.03 H new ATOM 0 HE3 LYS A 54 -6.971 -1.477 4.975 1.00 12.03 H new ATOM 0 HZ1 LYS A 54 -9.136 -1.651 5.333 1.00 0.54 H new ATOM 0 HZ2 LYS A 54 -9.503 -0.990 3.813 1.00 0.54 H new ATOM 0 HZ3 LYS A 54 -9.277 -2.665 3.978 1.00 0.54 H new ATOM 860 N LYS A 55 -10.341 1.569 -0.184 1.00 11.01 N ATOM 861 CA LYS A 55 -11.812 1.531 -0.228 1.00 25.21 C ATOM 862 C LYS A 55 -12.314 1.231 -1.654 1.00 42.24 C ATOM 863 O LYS A 55 -13.414 0.715 -1.851 1.00 44.43 O ATOM 864 CB LYS A 55 -12.392 2.873 0.253 1.00 75.12 C ATOM 865 CG LYS A 55 -12.443 3.949 -0.831 1.00 35.43 C ATOM 866 CD LYS A 55 -12.891 5.303 -0.286 1.00 64.22 C ATOM 867 CE LYS A 55 -13.286 6.258 -1.409 1.00 70.22 C ATOM 868 NZ LYS A 55 -12.215 6.405 -2.429 1.00 21.34 N ATOM 0 H LYS A 55 -9.955 2.453 0.147 1.00 11.01 H new ATOM 0 HA LYS A 55 -12.149 0.733 0.434 1.00 25.21 H new ATOM 0 HB2 LYS A 55 -13.400 2.707 0.634 1.00 75.12 H new ATOM 0 HB3 LYS A 55 -11.793 3.239 1.087 1.00 75.12 H new ATOM 0 HG2 LYS A 55 -11.457 4.051 -1.285 1.00 35.43 H new ATOM 0 HG3 LYS A 55 -13.126 3.634 -1.620 1.00 35.43 H new ATOM 0 HD2 LYS A 55 -13.736 5.163 0.388 1.00 64.22 H new ATOM 0 HD3 LYS A 55 -12.085 5.744 0.301 1.00 64.22 H new ATOM 0 HE2 LYS A 55 -14.194 5.894 -1.889 1.00 70.22 H new ATOM 0 HE3 LYS A 55 -13.519 7.235 -0.986 1.00 70.22 H new ATOM 0 HZ1 LYS A 55 -11.803 7.358 -2.365 1.00 21.34 H new ATOM 0 HZ2 LYS A 55 -11.474 5.695 -2.259 1.00 21.34 H new ATOM 0 HZ3 LYS A 55 -12.618 6.265 -3.378 1.00 21.34 H new ATOM 882 N ARG A 56 -11.494 1.582 -2.643 1.00 44.44 N ATOM 883 CA ARG A 56 -11.831 1.385 -4.055 1.00 44.55 C ATOM 884 C ARG A 56 -11.631 -0.081 -4.481 1.00 32.54 C ATOM 885 O ARG A 56 -12.477 -0.661 -5.160 1.00 35.13 O ATOM 886 CB ARG A 56 -10.965 2.318 -4.912 1.00 20.54 C ATOM 887 CG ARG A 56 -11.286 2.300 -6.403 1.00 61.21 C ATOM 888 CD ARG A 56 -10.373 3.251 -7.172 1.00 52.23 C ATOM 889 NE ARG A 56 -10.659 3.266 -8.605 1.00 51.24 N ATOM 890 CZ ARG A 56 -9.792 3.612 -9.520 1.00 43.20 C ATOM 891 NH1 ARG A 56 -8.585 3.947 -9.192 1.00 21.11 N ATOM 892 NH2 ARG A 56 -10.137 3.626 -10.766 1.00 74.34 N ATOM 0 H ARG A 56 -10.580 2.009 -2.491 1.00 44.44 H new ATOM 0 HA ARG A 56 -12.884 1.624 -4.202 1.00 44.55 H new ATOM 0 HB2 ARG A 56 -11.079 3.337 -4.543 1.00 20.54 H new ATOM 0 HB3 ARG A 56 -9.918 2.045 -4.777 1.00 20.54 H new ATOM 0 HG2 ARG A 56 -11.172 1.288 -6.791 1.00 61.21 H new ATOM 0 HG3 ARG A 56 -12.327 2.585 -6.558 1.00 61.21 H new ATOM 0 HD2 ARG A 56 -10.484 4.259 -6.772 1.00 52.23 H new ATOM 0 HD3 ARG A 56 -9.335 2.959 -7.015 1.00 52.23 H new ATOM 0 HE ARG A 56 -11.592 2.990 -8.910 1.00 51.24 H new ATOM 0 HH11 ARG A 56 -8.303 3.942 -8.212 1.00 21.11 H new ATOM 0 HH12 ARG A 56 -7.916 4.215 -9.914 1.00 21.11 H new ATOM 0 HH21 ARG A 56 -11.086 3.367 -11.035 1.00 74.34 H new ATOM 0 HH22 ARG A 56 -9.460 3.896 -11.480 1.00 74.34 H new ATOM 906 N TYR A 57 -10.507 -0.675 -4.076 1.00 64.25 N ATOM 907 CA TYR A 57 -10.223 -2.083 -4.386 1.00 53.34 C ATOM 908 C TYR A 57 -11.177 -3.026 -3.634 1.00 3.43 C ATOM 909 O TYR A 57 -11.604 -4.051 -4.167 1.00 54.23 O ATOM 910 CB TYR A 57 -8.765 -2.432 -4.040 1.00 10.34 C ATOM 911 CG TYR A 57 -8.435 -3.906 -4.227 1.00 1.20 C ATOM 912 CD1 TYR A 57 -8.122 -4.415 -5.483 1.00 53.44 C ATOM 913 CD2 TYR A 57 -8.455 -4.788 -3.150 1.00 2.01 C ATOM 914 CE1 TYR A 57 -7.837 -5.758 -5.659 1.00 13.53 C ATOM 915 CE2 TYR A 57 -8.169 -6.129 -3.318 1.00 74.34 C ATOM 916 CZ TYR A 57 -7.863 -6.609 -4.574 1.00 1.22 C ATOM 917 OH TYR A 57 -7.586 -7.946 -4.746 1.00 75.31 O ATOM 0 H TYR A 57 -9.779 -0.208 -3.535 1.00 64.25 H new ATOM 0 HA TYR A 57 -10.378 -2.220 -5.456 1.00 53.34 H new ATOM 0 HB2 TYR A 57 -8.099 -1.836 -4.664 1.00 10.34 H new ATOM 0 HB3 TYR A 57 -8.568 -2.152 -3.005 1.00 10.34 H new ATOM 0 HD1 TYR A 57 -8.101 -3.751 -6.335 1.00 53.44 H new ATOM 0 HD2 TYR A 57 -8.699 -4.417 -2.165 1.00 2.01 H new ATOM 0 HE1 TYR A 57 -7.596 -6.138 -6.641 1.00 13.53 H new ATOM 0 HE2 TYR A 57 -8.185 -6.798 -2.470 1.00 74.34 H new ATOM 0 HH TYR A 57 -7.646 -8.406 -3.883 1.00 75.31 H new ATOM 927 N GLU A 58 -11.512 -2.667 -2.398 1.00 33.13 N ATOM 928 CA GLU A 58 -12.398 -3.491 -1.564 1.00 22.11 C ATOM 929 C GLU A 58 -13.878 -3.314 -1.949 1.00 4.11 C ATOM 930 O GLU A 58 -14.777 -3.727 -1.209 1.00 54.42 O ATOM 931 CB GLU A 58 -12.181 -3.148 -0.084 1.00 11.42 C ATOM 932 CG GLU A 58 -10.739 -3.342 0.381 1.00 20.12 C ATOM 933 CD GLU A 58 -10.525 -2.972 1.841 1.00 63.14 C ATOM 934 OE1 GLU A 58 -10.848 -1.827 2.225 1.00 5.12 O ATOM 935 OE2 GLU A 58 -10.026 -3.815 2.613 1.00 44.23 O ATOM 0 H GLU A 58 -11.186 -1.812 -1.947 1.00 33.13 H new ATOM 0 HA GLU A 58 -12.145 -4.537 -1.735 1.00 22.11 H new ATOM 0 HB2 GLU A 58 -12.473 -2.112 0.087 1.00 11.42 H new ATOM 0 HB3 GLU A 58 -12.838 -3.769 0.525 1.00 11.42 H new ATOM 0 HG2 GLU A 58 -10.453 -4.383 0.231 1.00 20.12 H new ATOM 0 HG3 GLU A 58 -10.079 -2.737 -0.241 1.00 20.12 H new ATOM 942 N ASP A 59 -14.126 -2.707 -3.110 1.00 40.03 N ATOM 943 CA ASP A 59 -15.482 -2.556 -3.643 1.00 3.22 C ATOM 944 C ASP A 59 -15.682 -3.488 -4.858 1.00 42.43 C ATOM 945 O ASP A 59 -15.365 -3.122 -5.992 1.00 12.01 O ATOM 946 CB ASP A 59 -15.727 -1.093 -4.047 1.00 33.24 C ATOM 947 CG ASP A 59 -17.198 -0.775 -4.296 1.00 71.05 C ATOM 948 OD1 ASP A 59 -17.885 -1.558 -4.986 1.00 63.20 O ATOM 949 OD2 ASP A 59 -17.675 0.268 -3.795 1.00 55.14 O ATOM 0 H ASP A 59 -13.399 -2.309 -3.704 1.00 40.03 H new ATOM 0 HA ASP A 59 -16.200 -2.832 -2.870 1.00 3.22 H new ATOM 0 HB2 ASP A 59 -15.349 -0.438 -3.262 1.00 33.24 H new ATOM 0 HB3 ASP A 59 -15.157 -0.872 -4.949 1.00 33.24 H new