USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 38:sc= 0.102 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.825 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0.364 (180deg=0.338) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 76:sc= 0.905 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 37 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.163 USER MOD Single : A 39 GLN : amide:sc= -2.17! C(o=-2.2!,f=-7.1!) USER MOD Single : A 60 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.6!) USER MOD Single : A 74 SER OG : rot 81:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.556 0.944 1.160 1.00 34.01 N ATOM 159 CA SER A 12 12.892 2.080 0.319 1.00 23.41 C ATOM 160 C SER A 12 11.629 2.785 -0.161 1.00 34.23 C ATOM 161 O SER A 12 11.548 4.004 -0.121 1.00 54.45 O ATOM 162 CB SER A 12 13.743 1.626 -0.866 1.00 54.01 C ATOM 163 OG SER A 12 14.915 0.963 -0.413 1.00 33.24 O ATOM 0 HA SER A 12 13.472 2.790 0.909 1.00 23.41 H new ATOM 0 HB2 SER A 12 13.163 0.958 -1.503 1.00 54.01 H new ATOM 0 HB3 SER A 12 14.018 2.487 -1.475 1.00 54.01 H new ATOM 0 HG SER A 12 14.700 0.421 0.375 1.00 33.24 H new ATOM 169 N TYR A 13 10.631 2.003 -0.555 1.00 65.31 N ATOM 170 CA TYR A 13 9.362 2.557 -0.969 1.00 12.51 C ATOM 171 C TYR A 13 8.679 3.232 0.213 1.00 43.12 C ATOM 172 O TYR A 13 8.212 4.364 0.106 1.00 1.35 O ATOM 173 CB TYR A 13 8.452 1.479 -1.593 1.00 3.45 C ATOM 174 CG TYR A 13 7.038 1.962 -1.881 1.00 22.32 C ATOM 175 CD1 TYR A 13 6.817 3.163 -2.540 1.00 2.41 C ATOM 176 CD2 TYR A 13 5.929 1.232 -1.467 1.00 50.22 C ATOM 177 CE1 TYR A 13 5.546 3.621 -2.782 1.00 33.50 C ATOM 178 CE2 TYR A 13 4.647 1.690 -1.708 1.00 41.30 C ATOM 179 CZ TYR A 13 4.466 2.888 -2.369 1.00 61.14 C ATOM 180 OH TYR A 13 3.202 3.358 -2.612 1.00 5.13 O ATOM 0 H TYR A 13 10.683 0.985 -0.594 1.00 65.31 H new ATOM 0 HA TYR A 13 9.550 3.305 -1.739 1.00 12.51 H new ATOM 0 HB2 TYR A 13 8.903 1.129 -2.522 1.00 3.45 H new ATOM 0 HB3 TYR A 13 8.404 0.623 -0.920 1.00 3.45 H new ATOM 0 HD1 TYR A 13 7.662 3.749 -2.869 1.00 2.41 H new ATOM 0 HD2 TYR A 13 6.071 0.294 -0.950 1.00 50.22 H new ATOM 0 HE1 TYR A 13 5.398 4.558 -3.298 1.00 33.50 H new ATOM 0 HE2 TYR A 13 3.793 1.115 -1.381 1.00 41.30 H new ATOM 0 HH TYR A 13 3.205 3.895 -3.431 1.00 5.13 H new ATOM 190 N VAL A 14 8.662 2.555 1.336 1.00 70.33 N ATOM 191 CA VAL A 14 8.039 3.083 2.526 1.00 3.31 C ATOM 192 C VAL A 14 8.739 4.368 3.004 1.00 61.43 C ATOM 193 O VAL A 14 8.083 5.340 3.357 1.00 0.52 O ATOM 194 CB VAL A 14 7.982 2.044 3.671 1.00 73.11 C ATOM 195 CG1 VAL A 14 7.363 2.674 4.896 1.00 52.25 C ATOM 196 CG2 VAL A 14 7.174 0.825 3.243 1.00 24.54 C ATOM 0 H VAL A 14 9.076 1.630 1.451 1.00 70.33 H new ATOM 0 HA VAL A 14 7.013 3.328 2.253 1.00 3.31 H new ATOM 0 HB VAL A 14 8.996 1.720 3.906 1.00 73.11 H new ATOM 0 HG11 VAL A 14 7.324 1.941 5.702 1.00 52.25 H new ATOM 0 HG12 VAL A 14 7.965 3.527 5.210 1.00 52.25 H new ATOM 0 HG13 VAL A 14 6.353 3.010 4.661 1.00 52.25 H new ATOM 0 HG21 VAL A 14 7.144 0.104 4.060 1.00 24.54 H new ATOM 0 HG22 VAL A 14 6.159 1.131 2.991 1.00 24.54 H new ATOM 0 HG23 VAL A 14 7.641 0.367 2.371 1.00 24.54 H new ATOM 206 N ASN A 15 10.056 4.370 2.982 1.00 5.25 N ATOM 207 CA ASN A 15 10.851 5.482 3.391 1.00 4.50 C ATOM 208 C ASN A 15 10.624 6.669 2.466 1.00 44.31 C ATOM 209 O ASN A 15 10.606 7.829 2.891 1.00 62.22 O ATOM 210 CB ASN A 15 12.284 5.075 3.309 1.00 11.34 C ATOM 211 CG ASN A 15 13.191 6.122 3.817 1.00 20.14 C ATOM 212 OD1 ASN A 15 12.870 6.868 4.748 1.00 30.30 O ATOM 213 ND2 ASN A 15 14.299 6.219 3.206 1.00 53.41 N ATOM 0 H ASN A 15 10.606 3.571 2.669 1.00 5.25 H new ATOM 0 HA ASN A 15 10.579 5.773 4.406 1.00 4.50 H new ATOM 0 HB2 ASN A 15 12.433 4.159 3.881 1.00 11.34 H new ATOM 0 HB3 ASN A 15 12.537 4.849 2.273 1.00 11.34 H new ATOM 0 HD21 ASN A 15 14.970 6.937 3.478 1.00 53.41 H new ATOM 0 HD22 ASN A 15 14.518 5.579 2.443 1.00 53.41 H new ATOM 220 N LYS A 16 10.443 6.356 1.214 1.00 71.53 N ATOM 221 CA LYS A 16 10.179 7.321 0.180 1.00 23.43 C ATOM 222 C LYS A 16 8.853 8.028 0.498 1.00 14.52 C ATOM 223 O LYS A 16 8.736 9.251 0.380 1.00 23.43 O ATOM 224 CB LYS A 16 10.111 6.564 -1.137 1.00 1.41 C ATOM 225 CG LYS A 16 10.013 7.374 -2.375 1.00 52.25 C ATOM 226 CD LYS A 16 9.916 6.423 -3.545 1.00 11.41 C ATOM 227 CE LYS A 16 9.754 7.141 -4.844 1.00 71.30 C ATOM 228 NZ LYS A 16 10.908 7.989 -5.186 1.00 53.03 N ATOM 0 H LYS A 16 10.476 5.395 0.873 1.00 71.53 H new ATOM 0 HA LYS A 16 10.957 8.082 0.116 1.00 23.43 H new ATOM 0 HB2 LYS A 16 10.998 5.936 -1.213 1.00 1.41 H new ATOM 0 HB3 LYS A 16 9.250 5.896 -1.100 1.00 1.41 H new ATOM 0 HG2 LYS A 16 9.139 8.024 -2.338 1.00 52.25 H new ATOM 0 HG3 LYS A 16 10.885 8.019 -2.479 1.00 52.25 H new ATOM 0 HD2 LYS A 16 10.813 5.804 -3.583 1.00 11.41 H new ATOM 0 HD3 LYS A 16 9.071 5.751 -3.396 1.00 11.41 H new ATOM 0 HE2 LYS A 16 9.600 6.411 -5.638 1.00 71.30 H new ATOM 0 HE3 LYS A 16 8.857 7.759 -4.801 1.00 71.30 H new ATOM 0 HZ1 LYS A 16 10.765 8.407 -6.128 1.00 53.03 H new ATOM 0 HZ2 LYS A 16 11.002 8.748 -4.481 1.00 53.03 H new ATOM 0 HZ3 LYS A 16 11.773 7.412 -5.191 1.00 53.03 H new ATOM 242 N ILE A 17 7.878 7.241 0.948 1.00 34.20 N ATOM 243 CA ILE A 17 6.602 7.745 1.394 1.00 45.11 C ATOM 244 C ILE A 17 6.812 8.613 2.641 1.00 44.35 C ATOM 245 O ILE A 17 6.279 9.725 2.729 1.00 21.04 O ATOM 246 CB ILE A 17 5.651 6.576 1.761 1.00 40.14 C ATOM 247 CG1 ILE A 17 5.380 5.677 0.556 1.00 54.10 C ATOM 248 CG2 ILE A 17 4.354 7.097 2.332 1.00 45.43 C ATOM 249 CD1 ILE A 17 4.534 4.465 0.890 1.00 51.42 C ATOM 0 H ILE A 17 7.963 6.226 1.010 1.00 34.20 H new ATOM 0 HA ILE A 17 6.158 8.329 0.588 1.00 45.11 H new ATOM 0 HB ILE A 17 6.149 5.976 2.522 1.00 40.14 H new ATOM 0 HG12 ILE A 17 4.879 6.259 -0.217 1.00 54.10 H new ATOM 0 HG13 ILE A 17 6.330 5.344 0.139 1.00 54.10 H new ATOM 0 HG21 ILE A 17 3.704 6.259 2.582 1.00 45.43 H new ATOM 0 HG22 ILE A 17 4.560 7.677 3.232 1.00 45.43 H new ATOM 0 HG23 ILE A 17 3.861 7.732 1.596 1.00 45.43 H new ATOM 0 HD11 ILE A 17 4.380 3.870 -0.010 1.00 51.42 H new ATOM 0 HD12 ILE A 17 5.043 3.861 1.641 1.00 51.42 H new ATOM 0 HD13 ILE A 17 3.569 4.791 1.279 1.00 51.42 H new ATOM 261 N LYS A 18 7.620 8.092 3.586 1.00 60.34 N ATOM 262 CA LYS A 18 7.920 8.780 4.851 1.00 63.02 C ATOM 263 C LYS A 18 8.412 10.183 4.578 1.00 4.33 C ATOM 264 O LYS A 18 7.899 11.109 5.105 1.00 20.22 O ATOM 265 CB LYS A 18 9.029 8.082 5.659 1.00 15.10 C ATOM 266 CG LYS A 18 8.796 6.675 6.075 1.00 71.44 C ATOM 267 CD LYS A 18 9.985 6.189 6.875 1.00 74.23 C ATOM 268 CE LYS A 18 9.919 4.711 7.099 1.00 32.33 C ATOM 269 NZ LYS A 18 11.019 4.222 7.959 1.00 24.35 N ATOM 0 H LYS A 18 8.080 7.186 3.492 1.00 60.34 H new ATOM 0 HA LYS A 18 6.991 8.772 5.420 1.00 63.02 H new ATOM 0 HB2 LYS A 18 9.944 8.110 5.067 1.00 15.10 H new ATOM 0 HB3 LYS A 18 9.212 8.672 6.557 1.00 15.10 H new ATOM 0 HG2 LYS A 18 7.887 6.606 6.673 1.00 71.44 H new ATOM 0 HG3 LYS A 18 8.650 6.044 5.199 1.00 71.44 H new ATOM 0 HD2 LYS A 18 10.907 6.439 6.350 1.00 74.23 H new ATOM 0 HD3 LYS A 18 10.016 6.704 7.835 1.00 74.23 H new ATOM 0 HE2 LYS A 18 8.963 4.458 7.557 1.00 32.33 H new ATOM 0 HE3 LYS A 18 9.957 4.198 6.138 1.00 32.33 H new ATOM 0 HZ1 LYS A 18 10.930 3.193 8.085 1.00 24.35 H new ATOM 0 HZ2 LYS A 18 11.932 4.438 7.511 1.00 24.35 H new ATOM 0 HZ3 LYS A 18 10.969 4.690 8.886 1.00 24.35 H new ATOM 283 N THR A 19 9.410 10.291 3.722 1.00 4.11 N ATOM 284 CA THR A 19 10.040 11.529 3.356 1.00 24.14 C ATOM 285 C THR A 19 9.070 12.495 2.642 1.00 61.24 C ATOM 286 O THR A 19 9.051 13.702 2.921 1.00 32.01 O ATOM 287 CB THR A 19 11.245 11.167 2.459 1.00 33.04 C ATOM 288 OG1 THR A 19 12.377 10.772 3.238 1.00 73.20 O ATOM 289 CG2 THR A 19 11.578 12.217 1.423 1.00 12.30 C ATOM 0 H THR A 19 9.814 9.483 3.248 1.00 4.11 H new ATOM 0 HA THR A 19 10.365 12.062 4.249 1.00 24.14 H new ATOM 0 HB THR A 19 10.937 10.300 1.874 1.00 33.04 H new ATOM 0 HG1 THR A 19 13.122 10.548 2.642 1.00 73.20 H new ATOM 0 HG21 THR A 19 12.434 11.888 0.834 1.00 12.30 H new ATOM 0 HG22 THR A 19 10.721 12.364 0.766 1.00 12.30 H new ATOM 0 HG23 THR A 19 11.819 13.156 1.921 1.00 12.30 H new ATOM 297 N ARG A 20 8.275 11.964 1.759 1.00 65.22 N ATOM 298 CA ARG A 20 7.343 12.760 0.996 1.00 24.21 C ATOM 299 C ARG A 20 6.262 13.357 1.861 1.00 44.35 C ATOM 300 O ARG A 20 5.833 14.488 1.659 1.00 72.34 O ATOM 301 CB ARG A 20 6.768 11.920 -0.113 1.00 21.33 C ATOM 302 CG ARG A 20 7.669 11.840 -1.328 1.00 32.34 C ATOM 303 CD ARG A 20 7.688 13.173 -2.060 1.00 43.42 C ATOM 304 NE ARG A 20 8.231 13.058 -3.416 1.00 42.21 N ATOM 305 CZ ARG A 20 7.969 13.930 -4.404 1.00 2.12 C ATOM 306 NH1 ARG A 20 7.269 15.036 -4.153 1.00 62.31 N ATOM 307 NH2 ARG A 20 8.409 13.700 -5.635 1.00 73.53 N ATOM 0 H ARG A 20 8.250 10.967 1.544 1.00 65.22 H new ATOM 0 HA ARG A 20 7.880 13.604 0.563 1.00 24.21 H new ATOM 0 HB2 ARG A 20 6.583 10.913 0.261 1.00 21.33 H new ATOM 0 HB3 ARG A 20 5.804 12.332 -0.410 1.00 21.33 H new ATOM 0 HG2 ARG A 20 8.680 11.571 -1.022 1.00 32.34 H new ATOM 0 HG3 ARG A 20 7.319 11.055 -1.998 1.00 32.34 H new ATOM 0 HD2 ARG A 20 6.675 13.571 -2.110 1.00 43.42 H new ATOM 0 HD3 ARG A 20 8.284 13.888 -1.492 1.00 43.42 H new ATOM 0 HE ARG A 20 8.844 12.269 -3.622 1.00 42.21 H new ATOM 0 HH11 ARG A 20 6.931 15.222 -3.209 1.00 62.31 H new ATOM 0 HH12 ARG A 20 7.072 15.696 -4.905 1.00 62.31 H new ATOM 0 HH21 ARG A 20 8.949 12.858 -5.835 1.00 73.53 H new ATOM 0 HH22 ARG A 20 8.207 14.365 -6.381 1.00 73.53 H new ATOM 321 N PHE A 21 5.866 12.624 2.842 1.00 34.23 N ATOM 322 CA PHE A 21 4.819 13.026 3.728 1.00 32.22 C ATOM 323 C PHE A 21 5.377 13.129 5.124 1.00 41.11 C ATOM 324 O PHE A 21 4.716 12.851 6.117 1.00 50.22 O ATOM 325 CB PHE A 21 3.667 12.045 3.604 1.00 53.14 C ATOM 326 CG PHE A 21 3.190 11.964 2.177 1.00 63.21 C ATOM 327 CD1 PHE A 21 2.427 12.980 1.628 1.00 62.11 C ATOM 328 CD2 PHE A 21 3.534 10.892 1.380 1.00 1.14 C ATOM 329 CE1 PHE A 21 2.013 12.920 0.313 1.00 23.13 C ATOM 330 CE2 PHE A 21 3.126 10.824 0.077 1.00 15.14 C ATOM 331 CZ PHE A 21 2.362 11.838 -0.463 1.00 11.35 C ATOM 0 H PHE A 21 6.265 11.711 3.059 1.00 34.23 H new ATOM 0 HA PHE A 21 4.425 14.009 3.471 1.00 32.22 H new ATOM 0 HB2 PHE A 21 3.984 11.059 3.944 1.00 53.14 H new ATOM 0 HB3 PHE A 21 2.846 12.356 4.250 1.00 53.14 H new ATOM 0 HD1 PHE A 21 2.153 13.829 2.236 1.00 62.11 H new ATOM 0 HD2 PHE A 21 4.135 10.094 1.792 1.00 1.14 H new ATOM 0 HE1 PHE A 21 1.418 13.718 -0.105 1.00 23.13 H new ATOM 0 HE2 PHE A 21 3.402 9.975 -0.531 1.00 15.14 H new ATOM 0 HZ PHE A 21 2.039 11.783 -1.492 1.00 11.35 H new ATOM 341 N LEU A 22 6.612 13.587 5.178 1.00 24.53 N ATOM 342 CA LEU A 22 7.370 13.702 6.397 1.00 31.24 C ATOM 343 C LEU A 22 6.765 14.739 7.335 1.00 74.31 C ATOM 344 O LEU A 22 6.907 14.652 8.557 1.00 13.54 O ATOM 345 CB LEU A 22 8.828 14.029 6.051 1.00 14.31 C ATOM 346 CG LEU A 22 9.885 13.075 6.550 1.00 72.03 C ATOM 347 CD1 LEU A 22 11.270 13.583 6.218 1.00 72.11 C ATOM 348 CD2 LEU A 22 9.738 12.862 8.004 1.00 72.55 C ATOM 0 H LEU A 22 7.124 13.896 4.352 1.00 24.53 H new ATOM 0 HA LEU A 22 7.338 12.752 6.930 1.00 31.24 H new ATOM 0 HB2 LEU A 22 8.912 14.089 4.966 1.00 14.31 H new ATOM 0 HB3 LEU A 22 9.055 15.020 6.444 1.00 14.31 H new ATOM 0 HG LEU A 22 9.750 12.118 6.046 1.00 72.03 H new ATOM 0 HD11 LEU A 22 12.014 12.878 6.588 1.00 72.11 H new ATOM 0 HD12 LEU A 22 11.371 13.684 5.137 1.00 72.11 H new ATOM 0 HD13 LEU A 22 11.424 14.554 6.689 1.00 72.11 H new ATOM 0 HD21 LEU A 22 10.507 12.172 8.350 1.00 72.55 H new ATOM 0 HD22 LEU A 22 9.844 13.814 8.524 1.00 72.55 H new ATOM 0 HD23 LEU A 22 8.754 12.443 8.213 1.00 72.55 H new ATOM 360 N ASP A 23 6.080 15.696 6.769 1.00 31.54 N ATOM 361 CA ASP A 23 5.410 16.711 7.541 1.00 22.14 C ATOM 362 C ASP A 23 3.945 16.395 7.670 1.00 55.44 C ATOM 363 O ASP A 23 3.208 17.090 8.369 1.00 1.31 O ATOM 364 CB ASP A 23 5.551 18.069 6.894 1.00 65.01 C ATOM 365 CG ASP A 23 6.878 18.738 7.131 1.00 53.20 C ATOM 366 OD1 ASP A 23 7.054 19.388 8.193 1.00 72.31 O ATOM 367 OD2 ASP A 23 7.755 18.677 6.249 1.00 23.45 O ATOM 0 H ASP A 23 5.970 15.795 5.760 1.00 31.54 H new ATOM 0 HA ASP A 23 5.876 16.729 8.526 1.00 22.14 H new ATOM 0 HB2 ASP A 23 5.398 17.963 5.820 1.00 65.01 H new ATOM 0 HB3 ASP A 23 4.759 18.719 7.266 1.00 65.01 H new ATOM 372 N HIS A 24 3.529 15.343 7.028 1.00 4.42 N ATOM 373 CA HIS A 24 2.128 14.972 6.972 1.00 44.22 C ATOM 374 C HIS A 24 1.931 13.517 7.415 1.00 63.12 C ATOM 375 O HIS A 24 1.807 12.610 6.584 1.00 40.54 O ATOM 376 CB HIS A 24 1.580 15.170 5.561 1.00 3.50 C ATOM 377 CG HIS A 24 1.526 16.595 5.082 1.00 13.24 C ATOM 378 ND1 HIS A 24 2.557 17.234 4.422 1.00 42.41 N ATOM 379 CD2 HIS A 24 0.526 17.500 5.168 1.00 24.42 C ATOM 380 CE1 HIS A 24 2.159 18.475 4.140 1.00 1.51 C ATOM 381 NE2 HIS A 24 0.924 18.693 4.571 1.00 40.44 N ATOM 0 H HIS A 24 4.148 14.709 6.523 1.00 4.42 H new ATOM 0 HA HIS A 24 1.579 15.618 7.657 1.00 44.22 H new ATOM 0 HB2 HIS A 24 2.194 14.595 4.868 1.00 3.50 H new ATOM 0 HB3 HIS A 24 0.574 14.752 5.519 1.00 3.50 H new ATOM 0 HD2 HIS A 24 -0.435 17.325 5.629 1.00 24.42 H new ATOM 0 HE1 HIS A 24 2.764 19.208 3.627 1.00 1.51 H new ATOM 0 HE2 HIS A 24 0.381 19.552 4.484 1.00 40.44 H new ATOM 389 N PRO A 25 1.881 13.274 8.728 1.00 32.42 N ATOM 390 CA PRO A 25 1.843 11.913 9.286 1.00 0.03 C ATOM 391 C PRO A 25 0.550 11.157 8.973 1.00 62.14 C ATOM 392 O PRO A 25 0.562 9.937 8.799 1.00 4.11 O ATOM 393 CB PRO A 25 1.980 12.137 10.793 1.00 31.42 C ATOM 394 CG PRO A 25 1.485 13.522 11.014 1.00 12.33 C ATOM 395 CD PRO A 25 1.859 14.301 9.791 1.00 3.11 C ATOM 0 HA PRO A 25 2.628 11.292 8.854 1.00 0.03 H new ATOM 0 HB2 PRO A 25 1.393 11.412 11.356 1.00 31.42 H new ATOM 0 HB3 PRO A 25 3.015 12.030 11.117 1.00 31.42 H new ATOM 0 HG2 PRO A 25 0.406 13.530 11.165 1.00 12.33 H new ATOM 0 HG3 PRO A 25 1.935 13.958 11.906 1.00 12.33 H new ATOM 0 HD2 PRO A 25 1.134 15.086 9.577 1.00 3.11 H new ATOM 0 HD3 PRO A 25 2.829 14.785 9.903 1.00 3.11 H new ATOM 403 N GLU A 26 -0.554 11.882 8.876 1.00 1.14 N ATOM 404 CA GLU A 26 -1.848 11.286 8.633 1.00 41.41 C ATOM 405 C GLU A 26 -1.901 10.594 7.273 1.00 70.51 C ATOM 406 O GLU A 26 -2.527 9.575 7.133 1.00 24.34 O ATOM 407 CB GLU A 26 -2.936 12.339 8.722 1.00 44.04 C ATOM 408 CG GLU A 26 -2.770 13.453 7.718 1.00 71.41 C ATOM 409 CD GLU A 26 -3.885 14.445 7.751 1.00 15.50 C ATOM 410 OE1 GLU A 26 -4.152 15.037 8.824 1.00 63.32 O ATOM 411 OE2 GLU A 26 -4.522 14.659 6.712 1.00 1.10 O ATOM 0 H GLU A 26 -0.573 12.898 8.964 1.00 1.14 H new ATOM 0 HA GLU A 26 -2.014 10.530 9.401 1.00 41.41 H new ATOM 0 HB2 GLU A 26 -3.905 11.864 8.571 1.00 44.04 H new ATOM 0 HB3 GLU A 26 -2.942 12.762 9.727 1.00 44.04 H new ATOM 0 HG2 GLU A 26 -1.828 13.968 7.909 1.00 71.41 H new ATOM 0 HG3 GLU A 26 -2.702 13.025 6.718 1.00 71.41 H new ATOM 418 N ILE A 27 -1.200 11.152 6.302 1.00 12.13 N ATOM 419 CA ILE A 27 -1.172 10.633 4.945 1.00 71.32 C ATOM 420 C ILE A 27 -0.495 9.280 4.940 1.00 72.44 C ATOM 421 O ILE A 27 -0.994 8.316 4.358 1.00 24.23 O ATOM 422 CB ILE A 27 -0.420 11.627 4.037 1.00 41.13 C ATOM 423 CG1 ILE A 27 -1.139 12.983 4.112 1.00 3.54 C ATOM 424 CG2 ILE A 27 -0.327 11.120 2.595 1.00 35.20 C ATOM 425 CD1 ILE A 27 -0.592 14.027 3.187 1.00 43.05 C ATOM 0 H ILE A 27 -0.628 11.986 6.434 1.00 12.13 H new ATOM 0 HA ILE A 27 -2.187 10.514 4.566 1.00 71.32 H new ATOM 0 HB ILE A 27 0.607 11.734 4.386 1.00 41.13 H new ATOM 0 HG12 ILE A 27 -2.195 12.833 3.887 1.00 3.54 H new ATOM 0 HG13 ILE A 27 -1.081 13.355 5.135 1.00 3.54 H new ATOM 0 HG21 ILE A 27 0.210 11.848 1.987 1.00 35.20 H new ATOM 0 HG22 ILE A 27 0.206 10.169 2.577 1.00 35.20 H new ATOM 0 HG23 ILE A 27 -1.330 10.981 2.193 1.00 35.20 H new ATOM 0 HD11 ILE A 27 -1.158 14.951 3.306 1.00 43.05 H new ATOM 0 HD12 ILE A 27 0.456 14.210 3.424 1.00 43.05 H new ATOM 0 HD13 ILE A 27 -0.676 13.680 2.157 1.00 43.05 H new ATOM 437 N TYR A 28 0.605 9.217 5.655 1.00 33.24 N ATOM 438 CA TYR A 28 1.363 8.000 5.841 1.00 35.12 C ATOM 439 C TYR A 28 0.456 6.963 6.517 1.00 24.34 C ATOM 440 O TYR A 28 0.232 5.864 6.006 1.00 13.20 O ATOM 441 CB TYR A 28 2.550 8.321 6.765 1.00 44.12 C ATOM 442 CG TYR A 28 3.556 7.211 6.952 1.00 21.55 C ATOM 443 CD1 TYR A 28 4.515 6.940 5.988 1.00 33.43 C ATOM 444 CD2 TYR A 28 3.548 6.437 8.098 1.00 70.24 C ATOM 445 CE1 TYR A 28 5.426 5.924 6.158 1.00 51.00 C ATOM 446 CE2 TYR A 28 4.458 5.422 8.277 1.00 2.23 C ATOM 447 CZ TYR A 28 5.389 5.167 7.307 1.00 44.42 C ATOM 448 OH TYR A 28 6.293 4.155 7.489 1.00 4.33 O ATOM 0 H TYR A 28 1.006 10.025 6.132 1.00 33.24 H new ATOM 0 HA TYR A 28 1.722 7.609 4.889 1.00 35.12 H new ATOM 0 HB2 TYR A 28 3.069 9.193 6.368 1.00 44.12 H new ATOM 0 HB3 TYR A 28 2.159 8.600 7.743 1.00 44.12 H new ATOM 0 HD1 TYR A 28 4.547 7.537 5.088 1.00 33.43 H new ATOM 0 HD2 TYR A 28 2.814 6.633 8.866 1.00 70.24 H new ATOM 0 HE1 TYR A 28 6.164 5.722 5.396 1.00 51.00 H new ATOM 0 HE2 TYR A 28 4.438 4.829 9.179 1.00 2.23 H new ATOM 0 HH TYR A 28 6.129 3.721 8.352 1.00 4.33 H new ATOM 458 N ARG A 29 -0.115 7.380 7.630 1.00 63.12 N ATOM 459 CA ARG A 29 -0.940 6.540 8.472 1.00 31.14 C ATOM 460 C ARG A 29 -2.229 6.051 7.810 1.00 13.53 C ATOM 461 O ARG A 29 -2.603 4.883 7.977 1.00 70.51 O ATOM 462 CB ARG A 29 -1.222 7.246 9.769 1.00 74.53 C ATOM 463 CG ARG A 29 -0.012 7.304 10.656 1.00 23.30 C ATOM 464 CD ARG A 29 -0.204 8.284 11.763 1.00 23.21 C ATOM 465 NE ARG A 29 0.888 8.197 12.731 1.00 64.23 N ATOM 466 CZ ARG A 29 0.800 8.437 14.044 1.00 34.41 C ATOM 467 NH1 ARG A 29 -0.296 8.961 14.567 1.00 53.42 N ATOM 468 NH2 ARG A 29 1.840 8.195 14.814 1.00 74.24 N ATOM 0 H ARG A 29 -0.015 8.333 7.980 1.00 63.12 H new ATOM 0 HA ARG A 29 -0.367 5.632 8.661 1.00 31.14 H new ATOM 0 HB2 ARG A 29 -1.568 8.259 9.562 1.00 74.53 H new ATOM 0 HB3 ARG A 29 -2.030 6.734 10.292 1.00 74.53 H new ATOM 0 HG2 ARG A 29 0.186 6.316 11.071 1.00 23.30 H new ATOM 0 HG3 ARG A 29 0.862 7.583 10.067 1.00 23.30 H new ATOM 0 HD2 ARG A 29 -0.255 9.294 11.356 1.00 23.21 H new ATOM 0 HD3 ARG A 29 -1.154 8.094 12.262 1.00 23.21 H new ATOM 0 HE ARG A 29 1.804 7.928 12.371 1.00 64.23 H new ATOM 0 HH11 ARG A 29 -1.089 9.188 13.967 1.00 53.42 H new ATOM 0 HH12 ARG A 29 -0.348 9.138 15.570 1.00 53.42 H new ATOM 0 HH21 ARG A 29 2.701 7.828 14.408 1.00 74.24 H new ATOM 0 HH22 ARG A 29 1.785 8.374 15.817 1.00 74.24 H new ATOM 482 N SER A 30 -2.893 6.927 7.066 1.00 3.31 N ATOM 483 CA SER A 30 -4.122 6.580 6.366 1.00 5.52 C ATOM 484 C SER A 30 -3.862 5.521 5.323 1.00 4.24 C ATOM 485 O SER A 30 -4.705 4.703 5.033 1.00 4.14 O ATOM 486 CB SER A 30 -4.756 7.815 5.716 1.00 54.05 C ATOM 487 OG SER A 30 -5.160 8.768 6.696 1.00 22.23 O ATOM 0 H SER A 30 -2.596 7.893 6.932 1.00 3.31 H new ATOM 0 HA SER A 30 -4.821 6.183 7.102 1.00 5.52 H new ATOM 0 HB2 SER A 30 -4.043 8.274 5.032 1.00 54.05 H new ATOM 0 HB3 SER A 30 -5.619 7.513 5.122 1.00 54.05 H new ATOM 0 HG SER A 30 -4.373 9.243 7.034 1.00 22.23 H new ATOM 493 N PHE A 31 -2.698 5.547 4.751 1.00 40.41 N ATOM 494 CA PHE A 31 -2.346 4.546 3.808 1.00 33.24 C ATOM 495 C PHE A 31 -2.029 3.217 4.494 1.00 52.43 C ATOM 496 O PHE A 31 -2.434 2.149 4.021 1.00 32.33 O ATOM 497 CB PHE A 31 -1.224 5.014 2.903 1.00 24.04 C ATOM 498 CG PHE A 31 -0.524 3.872 2.255 1.00 30.32 C ATOM 499 CD1 PHE A 31 -1.115 3.198 1.212 1.00 53.33 C ATOM 500 CD2 PHE A 31 0.698 3.437 2.736 1.00 1.24 C ATOM 501 CE1 PHE A 31 -0.512 2.108 0.645 1.00 23.33 C ATOM 502 CE2 PHE A 31 1.324 2.346 2.172 1.00 32.40 C ATOM 503 CZ PHE A 31 0.718 1.676 1.118 1.00 12.33 C ATOM 0 H PHE A 31 -1.981 6.251 4.924 1.00 40.41 H new ATOM 0 HA PHE A 31 -3.211 4.367 3.170 1.00 33.24 H new ATOM 0 HB2 PHE A 31 -1.627 5.675 2.136 1.00 24.04 H new ATOM 0 HB3 PHE A 31 -0.509 5.597 3.483 1.00 24.04 H new ATOM 0 HD1 PHE A 31 -2.070 3.534 0.835 1.00 53.33 H new ATOM 0 HD2 PHE A 31 1.165 3.956 3.560 1.00 1.24 H new ATOM 0 HE1 PHE A 31 -0.993 1.586 -0.169 1.00 23.33 H new ATOM 0 HE2 PHE A 31 2.281 2.014 2.548 1.00 32.40 H new ATOM 0 HZ PHE A 31 1.202 0.822 0.668 1.00 12.33 H new ATOM 513 N LEU A 32 -1.311 3.291 5.604 1.00 63.45 N ATOM 514 CA LEU A 32 -0.936 2.121 6.384 1.00 62.51 C ATOM 515 C LEU A 32 -2.156 1.300 6.750 1.00 1.51 C ATOM 516 O LEU A 32 -2.125 0.058 6.730 1.00 61.52 O ATOM 517 CB LEU A 32 -0.246 2.561 7.663 1.00 72.32 C ATOM 518 CG LEU A 32 1.041 3.339 7.519 1.00 33.45 C ATOM 519 CD1 LEU A 32 1.575 3.657 8.885 1.00 11.52 C ATOM 520 CD2 LEU A 32 2.073 2.571 6.691 1.00 73.43 C ATOM 0 H LEU A 32 -0.970 4.170 5.992 1.00 63.45 H new ATOM 0 HA LEU A 32 -0.264 1.512 5.779 1.00 62.51 H new ATOM 0 HB2 LEU A 32 -0.947 3.170 8.233 1.00 72.32 H new ATOM 0 HB3 LEU A 32 -0.039 1.672 8.258 1.00 72.32 H new ATOM 0 HG LEU A 32 0.835 4.266 6.984 1.00 33.45 H new ATOM 0 HD11 LEU A 32 2.504 4.219 8.791 1.00 11.52 H new ATOM 0 HD12 LEU A 32 0.844 4.253 9.432 1.00 11.52 H new ATOM 0 HD13 LEU A 32 1.765 2.730 9.426 1.00 11.52 H new ATOM 0 HD21 LEU A 32 2.986 3.161 6.609 1.00 73.43 H new ATOM 0 HD22 LEU A 32 2.297 1.622 7.178 1.00 73.43 H new ATOM 0 HD23 LEU A 32 1.672 2.382 5.695 1.00 73.43 H new ATOM 532 N GLU A 33 -3.240 1.997 7.035 1.00 31.53 N ATOM 533 CA GLU A 33 -4.452 1.364 7.442 1.00 21.25 C ATOM 534 C GLU A 33 -5.077 0.592 6.279 1.00 55.30 C ATOM 535 O GLU A 33 -5.655 -0.454 6.489 1.00 31.21 O ATOM 536 CB GLU A 33 -5.423 2.390 8.044 1.00 15.44 C ATOM 537 CG GLU A 33 -6.267 3.201 7.058 1.00 52.21 C ATOM 538 CD GLU A 33 -7.113 4.230 7.769 1.00 4.54 C ATOM 539 OE1 GLU A 33 -6.612 5.333 8.078 1.00 52.02 O ATOM 540 OE2 GLU A 33 -8.283 3.944 8.069 1.00 53.04 O ATOM 0 H GLU A 33 -3.292 3.015 6.987 1.00 31.53 H new ATOM 0 HA GLU A 33 -4.223 0.639 8.223 1.00 21.25 H new ATOM 0 HB2 GLU A 33 -6.099 1.864 8.717 1.00 15.44 H new ATOM 0 HB3 GLU A 33 -4.847 3.087 8.652 1.00 15.44 H new ATOM 0 HG2 GLU A 33 -5.613 3.698 6.341 1.00 52.21 H new ATOM 0 HG3 GLU A 33 -6.910 2.529 6.490 1.00 52.21 H new ATOM 547 N ILE A 34 -4.878 1.086 5.052 1.00 15.25 N ATOM 548 CA ILE A 34 -5.423 0.502 3.849 1.00 21.10 C ATOM 549 C ILE A 34 -4.834 -0.864 3.579 1.00 33.35 C ATOM 550 O ILE A 34 -5.556 -1.792 3.245 1.00 74.30 O ATOM 551 CB ILE A 34 -5.164 1.442 2.649 1.00 52.53 C ATOM 552 CG1 ILE A 34 -5.907 2.748 2.877 1.00 31.42 C ATOM 553 CG2 ILE A 34 -5.539 0.799 1.310 1.00 41.20 C ATOM 554 CD1 ILE A 34 -5.626 3.802 1.860 1.00 62.53 C ATOM 0 H ILE A 34 -4.320 1.922 4.878 1.00 15.25 H new ATOM 0 HA ILE A 34 -6.497 0.377 3.989 1.00 21.10 H new ATOM 0 HB ILE A 34 -4.094 1.642 2.587 1.00 52.53 H new ATOM 0 HG12 ILE A 34 -6.978 2.546 2.887 1.00 31.42 H new ATOM 0 HG13 ILE A 34 -5.646 3.133 3.863 1.00 31.42 H new ATOM 0 HG21 ILE A 34 -5.338 1.501 0.500 1.00 41.20 H new ATOM 0 HG22 ILE A 34 -4.948 -0.105 1.162 1.00 41.20 H new ATOM 0 HG23 ILE A 34 -6.599 0.543 1.313 1.00 41.20 H new ATOM 0 HD11 ILE A 34 -6.197 4.699 2.099 1.00 62.53 H new ATOM 0 HD12 ILE A 34 -4.562 4.037 1.864 1.00 62.53 H new ATOM 0 HD13 ILE A 34 -5.914 3.441 0.873 1.00 62.53 H new ATOM 566 N LEU A 35 -3.540 -1.008 3.750 1.00 73.23 N ATOM 567 CA LEU A 35 -2.915 -2.263 3.470 1.00 32.33 C ATOM 568 C LEU A 35 -3.301 -3.306 4.516 1.00 41.42 C ATOM 569 O LEU A 35 -3.572 -4.459 4.182 1.00 4.41 O ATOM 570 CB LEU A 35 -1.422 -2.083 3.392 1.00 52.53 C ATOM 571 CG LEU A 35 -0.710 -2.835 2.265 1.00 73.20 C ATOM 572 CD1 LEU A 35 -0.833 -4.343 2.421 1.00 51.44 C ATOM 573 CD2 LEU A 35 -1.256 -2.411 0.904 1.00 30.53 C ATOM 0 H LEU A 35 -2.912 -0.275 4.079 1.00 73.23 H new ATOM 0 HA LEU A 35 -3.266 -2.629 2.505 1.00 32.33 H new ATOM 0 HB2 LEU A 35 -1.210 -1.019 3.282 1.00 52.53 H new ATOM 0 HB3 LEU A 35 -0.989 -2.398 4.341 1.00 52.53 H new ATOM 0 HG LEU A 35 0.347 -2.575 2.327 1.00 73.20 H new ATOM 0 HD11 LEU A 35 -0.314 -4.837 1.600 1.00 51.44 H new ATOM 0 HD12 LEU A 35 -0.388 -4.648 3.368 1.00 51.44 H new ATOM 0 HD13 LEU A 35 -1.886 -4.626 2.407 1.00 51.44 H new ATOM 0 HD21 LEU A 35 -0.736 -2.958 0.117 1.00 30.53 H new ATOM 0 HD22 LEU A 35 -2.322 -2.631 0.855 1.00 30.53 H new ATOM 0 HD23 LEU A 35 -1.100 -1.341 0.767 1.00 30.53 H new ATOM 585 N HIS A 36 -3.369 -2.895 5.771 1.00 14.31 N ATOM 586 CA HIS A 36 -3.788 -3.807 6.830 1.00 30.30 C ATOM 587 C HIS A 36 -5.262 -4.167 6.641 1.00 45.04 C ATOM 588 O HIS A 36 -5.659 -5.304 6.841 1.00 22.34 O ATOM 589 CB HIS A 36 -3.521 -3.218 8.215 1.00 72.33 C ATOM 590 CG HIS A 36 -2.058 -3.059 8.544 1.00 23.15 C ATOM 591 ND1 HIS A 36 -1.481 -1.869 8.925 1.00 62.51 N ATOM 592 CD2 HIS A 36 -1.065 -3.982 8.594 1.00 51.30 C ATOM 593 CE1 HIS A 36 -0.197 -2.087 9.189 1.00 13.21 C ATOM 594 NE2 HIS A 36 0.117 -3.361 9.005 1.00 21.43 N ATOM 0 H HIS A 36 -3.144 -1.950 6.082 1.00 14.31 H new ATOM 0 HA HIS A 36 -3.196 -4.720 6.763 1.00 30.30 H new ATOM 0 HB2 HIS A 36 -4.006 -2.244 8.284 1.00 72.33 H new ATOM 0 HB3 HIS A 36 -3.984 -3.858 8.966 1.00 72.33 H new ATOM 0 HD2 HIS A 36 -1.171 -5.030 8.354 1.00 51.30 H new ATOM 0 HE1 HIS A 36 0.499 -1.326 9.511 1.00 13.21 H new ATOM 0 HE2 HIS A 36 1.030 -3.797 9.136 1.00 21.43 H new ATOM 602 N THR A 37 -6.033 -3.177 6.205 1.00 3.33 N ATOM 603 CA THR A 37 -7.427 -3.322 5.810 1.00 62.34 C ATOM 604 C THR A 37 -7.556 -4.391 4.723 1.00 15.21 C ATOM 605 O THR A 37 -8.407 -5.281 4.793 1.00 62.33 O ATOM 606 CB THR A 37 -7.910 -1.949 5.247 1.00 55.35 C ATOM 607 OG1 THR A 37 -8.256 -1.032 6.296 1.00 65.22 O ATOM 608 CG2 THR A 37 -8.996 -2.041 4.185 1.00 50.13 C ATOM 0 H THR A 37 -5.692 -2.220 6.114 1.00 3.33 H new ATOM 0 HA THR A 37 -8.030 -3.623 6.667 1.00 62.34 H new ATOM 0 HB THR A 37 -7.046 -1.545 4.720 1.00 55.35 H new ATOM 0 HG1 THR A 37 -7.446 -0.587 6.622 1.00 65.22 H new ATOM 0 HG21 THR A 37 -9.267 -1.038 3.854 1.00 50.13 H new ATOM 0 HG22 THR A 37 -8.627 -2.616 3.336 1.00 50.13 H new ATOM 0 HG23 THR A 37 -9.873 -2.535 4.603 1.00 50.13 H new ATOM 616 N TYR A 38 -6.677 -4.302 3.759 1.00 14.11 N ATOM 617 CA TYR A 38 -6.700 -5.149 2.625 1.00 50.24 C ATOM 618 C TYR A 38 -6.395 -6.589 3.037 1.00 10.22 C ATOM 619 O TYR A 38 -7.125 -7.509 2.672 1.00 34.21 O ATOM 620 CB TYR A 38 -5.699 -4.625 1.590 1.00 54.20 C ATOM 621 CG TYR A 38 -5.842 -5.208 0.213 1.00 1.45 C ATOM 622 CD1 TYR A 38 -6.752 -6.198 -0.063 1.00 55.14 C ATOM 623 CD2 TYR A 38 -5.037 -4.773 -0.784 1.00 21.10 C ATOM 624 CE1 TYR A 38 -6.846 -6.761 -1.316 1.00 42.35 C ATOM 625 CE2 TYR A 38 -5.121 -5.300 -2.063 1.00 12.21 C ATOM 626 CZ TYR A 38 -6.028 -6.305 -2.318 1.00 24.21 C ATOM 627 OH TYR A 38 -6.097 -6.875 -3.572 1.00 61.21 O ATOM 0 H TYR A 38 -5.917 -3.622 3.753 1.00 14.11 H new ATOM 0 HA TYR A 38 -7.692 -5.147 2.174 1.00 50.24 H new ATOM 0 HB2 TYR A 38 -5.804 -3.542 1.522 1.00 54.20 H new ATOM 0 HB3 TYR A 38 -4.690 -4.826 1.950 1.00 54.20 H new ATOM 0 HD1 TYR A 38 -7.410 -6.543 0.721 1.00 55.14 H new ATOM 0 HD2 TYR A 38 -4.313 -3.998 -0.578 1.00 21.10 H new ATOM 0 HE1 TYR A 38 -7.556 -7.552 -1.508 1.00 42.35 H new ATOM 0 HE2 TYR A 38 -4.483 -4.927 -2.851 1.00 12.21 H new ATOM 0 HH TYR A 38 -7.008 -7.199 -3.734 1.00 61.21 H new ATOM 637 N GLN A 39 -5.351 -6.772 3.822 1.00 45.21 N ATOM 638 CA GLN A 39 -4.977 -8.099 4.274 1.00 32.15 C ATOM 639 C GLN A 39 -6.053 -8.695 5.171 1.00 3.22 C ATOM 640 O GLN A 39 -6.374 -9.879 5.067 1.00 65.14 O ATOM 641 CB GLN A 39 -3.611 -8.092 4.943 1.00 41.52 C ATOM 642 CG GLN A 39 -2.472 -7.658 4.009 1.00 21.14 C ATOM 643 CD GLN A 39 -2.292 -8.553 2.768 1.00 63.50 C ATOM 644 OE1 GLN A 39 -3.241 -9.137 2.242 1.00 41.41 O ATOM 645 NE2 GLN A 39 -1.082 -8.664 2.292 1.00 32.24 N ATOM 0 H GLN A 39 -4.748 -6.022 4.159 1.00 45.21 H new ATOM 0 HA GLN A 39 -4.896 -8.743 3.398 1.00 32.15 H new ATOM 0 HB2 GLN A 39 -3.640 -7.422 5.803 1.00 41.52 H new ATOM 0 HB3 GLN A 39 -3.397 -9.091 5.324 1.00 41.52 H new ATOM 0 HG2 GLN A 39 -2.657 -6.635 3.681 1.00 21.14 H new ATOM 0 HG3 GLN A 39 -1.539 -7.648 4.573 1.00 21.14 H new ATOM 0 HE21 GLN A 39 -0.310 -8.172 2.742 1.00 32.24 H new ATOM 0 HE22 GLN A 39 -0.908 -9.242 1.470 1.00 32.24 H new ATOM 904 N GLU A 55 -8.559 -5.222 -5.356 1.00 52.25 N ATOM 905 CA GLU A 55 -7.289 -4.557 -5.569 1.00 11.31 C ATOM 906 C GLU A 55 -7.463 -3.205 -6.266 1.00 52.11 C ATOM 907 O GLU A 55 -6.774 -2.255 -5.950 1.00 62.32 O ATOM 908 CB GLU A 55 -6.401 -5.461 -6.397 1.00 4.21 C ATOM 909 CG GLU A 55 -5.002 -4.970 -6.502 1.00 35.41 C ATOM 910 CD GLU A 55 -4.132 -5.838 -7.369 1.00 3.52 C ATOM 911 OE1 GLU A 55 -3.601 -6.863 -6.888 1.00 43.30 O ATOM 912 OE2 GLU A 55 -3.962 -5.516 -8.559 1.00 54.33 O ATOM 0 HA GLU A 55 -6.832 -4.361 -4.599 1.00 11.31 H new ATOM 0 HB2 GLU A 55 -6.397 -6.458 -5.957 1.00 4.21 H new ATOM 0 HB3 GLU A 55 -6.822 -5.556 -7.398 1.00 4.21 H new ATOM 0 HG2 GLU A 55 -5.009 -3.957 -6.904 1.00 35.41 H new ATOM 0 HG3 GLU A 55 -4.568 -4.914 -5.504 1.00 35.41 H new ATOM 919 N GLU A 56 -8.410 -3.133 -7.176 1.00 71.22 N ATOM 920 CA GLU A 56 -8.723 -1.936 -7.888 1.00 52.52 C ATOM 921 C GLU A 56 -9.134 -0.787 -6.960 1.00 13.41 C ATOM 922 O GLU A 56 -8.656 0.335 -7.113 1.00 32.21 O ATOM 923 CB GLU A 56 -9.812 -2.239 -8.866 1.00 54.22 C ATOM 924 CG GLU A 56 -9.386 -3.173 -9.965 1.00 62.35 C ATOM 925 CD GLU A 56 -10.504 -3.458 -10.937 1.00 64.43 C ATOM 926 OE1 GLU A 56 -11.277 -4.397 -10.701 1.00 73.34 O ATOM 927 OE2 GLU A 56 -10.634 -2.724 -11.954 1.00 50.53 O ATOM 0 H GLU A 56 -8.991 -3.929 -7.440 1.00 71.22 H new ATOM 0 HA GLU A 56 -7.826 -1.599 -8.407 1.00 52.52 H new ATOM 0 HB2 GLU A 56 -10.656 -2.677 -8.334 1.00 54.22 H new ATOM 0 HB3 GLU A 56 -10.163 -1.306 -9.308 1.00 54.22 H new ATOM 0 HG2 GLU A 56 -8.542 -2.739 -10.502 1.00 62.35 H new ATOM 0 HG3 GLU A 56 -9.039 -4.110 -9.529 1.00 62.35 H new ATOM 934 N GLU A 57 -9.972 -1.073 -5.972 1.00 40.41 N ATOM 935 CA GLU A 57 -10.432 -0.038 -5.066 1.00 53.34 C ATOM 936 C GLU A 57 -9.344 0.238 -4.049 1.00 54.31 C ATOM 937 O GLU A 57 -9.234 1.346 -3.519 1.00 41.32 O ATOM 938 CB GLU A 57 -11.735 -0.433 -4.397 1.00 55.44 C ATOM 939 CG GLU A 57 -11.554 -1.273 -3.190 1.00 41.42 C ATOM 940 CD GLU A 57 -12.833 -1.804 -2.675 1.00 75.24 C ATOM 941 OE1 GLU A 57 -13.487 -1.154 -1.844 1.00 14.24 O ATOM 942 OE2 GLU A 57 -13.228 -2.882 -3.113 1.00 53.13 O ATOM 0 H GLU A 57 -10.342 -2.004 -5.782 1.00 40.41 H new ATOM 0 HA GLU A 57 -10.635 0.874 -5.628 1.00 53.34 H new ATOM 0 HB2 GLU A 57 -12.280 0.470 -4.122 1.00 55.44 H new ATOM 0 HB3 GLU A 57 -12.353 -0.972 -5.115 1.00 55.44 H new ATOM 0 HG2 GLU A 57 -10.888 -2.103 -3.425 1.00 41.42 H new ATOM 0 HG3 GLU A 57 -11.068 -0.685 -2.411 1.00 41.42 H new ATOM 949 N VAL A 58 -8.513 -0.774 -3.816 1.00 25.22 N ATOM 950 CA VAL A 58 -7.396 -0.648 -2.968 1.00 75.14 C ATOM 951 C VAL A 58 -6.445 0.358 -3.565 1.00 54.14 C ATOM 952 O VAL A 58 -6.104 1.364 -2.937 1.00 53.42 O ATOM 953 CB VAL A 58 -6.686 -2.001 -2.773 1.00 0.41 C ATOM 954 CG1 VAL A 58 -5.375 -1.811 -2.101 1.00 61.42 C ATOM 955 CG2 VAL A 58 -7.575 -2.958 -1.988 1.00 74.14 C ATOM 0 H VAL A 58 -8.622 -1.701 -4.228 1.00 25.22 H new ATOM 0 HA VAL A 58 -7.732 -0.310 -1.988 1.00 75.14 H new ATOM 0 HB VAL A 58 -6.498 -2.441 -3.752 1.00 0.41 H new ATOM 0 HG11 VAL A 58 -4.889 -2.778 -1.972 1.00 61.42 H new ATOM 0 HG12 VAL A 58 -4.743 -1.166 -2.711 1.00 61.42 H new ATOM 0 HG13 VAL A 58 -5.530 -1.350 -1.126 1.00 61.42 H new ATOM 0 HG21 VAL A 58 -7.060 -3.910 -1.858 1.00 74.14 H new ATOM 0 HG22 VAL A 58 -7.797 -2.529 -1.011 1.00 74.14 H new ATOM 0 HG23 VAL A 58 -8.505 -3.120 -2.533 1.00 74.14 H new ATOM 965 N PHE A 59 -6.097 0.111 -4.813 1.00 55.22 N ATOM 966 CA PHE A 59 -5.208 0.942 -5.570 1.00 63.11 C ATOM 967 C PHE A 59 -5.790 2.348 -5.669 1.00 60.45 C ATOM 968 O PHE A 59 -5.059 3.321 -5.647 1.00 74.14 O ATOM 969 CB PHE A 59 -4.976 0.316 -6.958 1.00 25.15 C ATOM 970 CG PHE A 59 -3.869 0.958 -7.763 1.00 33.01 C ATOM 971 CD1 PHE A 59 -4.124 2.025 -8.611 1.00 61.34 C ATOM 972 CD2 PHE A 59 -2.569 0.486 -7.665 1.00 1.34 C ATOM 973 CE1 PHE A 59 -3.104 2.605 -9.342 1.00 24.01 C ATOM 974 CE2 PHE A 59 -1.546 1.061 -8.393 1.00 50.40 C ATOM 975 CZ PHE A 59 -1.814 2.123 -9.233 1.00 1.40 C ATOM 0 H PHE A 59 -6.439 -0.697 -5.334 1.00 55.22 H new ATOM 0 HA PHE A 59 -4.241 1.015 -5.073 1.00 63.11 H new ATOM 0 HB2 PHE A 59 -4.748 -0.742 -6.831 1.00 25.15 H new ATOM 0 HB3 PHE A 59 -5.903 0.376 -7.528 1.00 25.15 H new ATOM 0 HD1 PHE A 59 -5.130 2.407 -8.701 1.00 61.34 H new ATOM 0 HD2 PHE A 59 -2.353 -0.344 -7.009 1.00 1.34 H new ATOM 0 HE1 PHE A 59 -3.316 3.436 -9.999 1.00 24.01 H new ATOM 0 HE2 PHE A 59 -0.539 0.681 -8.305 1.00 50.40 H new ATOM 0 HZ PHE A 59 -1.017 2.576 -9.804 1.00 1.40 H new ATOM 985 N THR A 60 -7.115 2.436 -5.707 1.00 54.13 N ATOM 986 CA THR A 60 -7.807 3.648 -5.721 1.00 0.34 C ATOM 987 C THR A 60 -7.527 4.467 -4.457 1.00 13.04 C ATOM 988 O THR A 60 -7.099 5.600 -4.566 1.00 25.24 O ATOM 989 CB THR A 60 -9.294 3.361 -5.859 1.00 32.53 C ATOM 990 OG1 THR A 60 -9.564 2.825 -7.153 1.00 31.14 O ATOM 991 CG2 THR A 60 -10.097 4.581 -5.630 1.00 4.32 C ATOM 0 H THR A 60 -7.725 1.619 -5.729 1.00 54.13 H new ATOM 0 HA THR A 60 -7.466 4.243 -6.568 1.00 0.34 H new ATOM 0 HB THR A 60 -9.575 2.630 -5.101 1.00 32.53 H new ATOM 0 HG1 THR A 60 -9.440 1.853 -7.137 1.00 31.14 H new ATOM 0 HG21 THR A 60 -11.156 4.345 -5.735 1.00 4.32 H new ATOM 0 HG22 THR A 60 -9.908 4.958 -4.625 1.00 4.32 H new ATOM 0 HG23 THR A 60 -9.820 5.341 -6.361 1.00 4.32 H new ATOM 999 N GLU A 61 -7.708 3.875 -3.265 1.00 41.12 N ATOM 1000 CA GLU A 61 -7.518 4.614 -2.025 1.00 25.12 C ATOM 1001 C GLU A 61 -6.069 5.016 -1.855 1.00 54.22 C ATOM 1002 O GLU A 61 -5.775 6.074 -1.317 1.00 13.41 O ATOM 1003 CB GLU A 61 -7.999 3.818 -0.814 1.00 23.21 C ATOM 1004 CG GLU A 61 -9.484 3.571 -0.806 1.00 23.34 C ATOM 1005 CD GLU A 61 -9.970 2.890 0.447 1.00 14.51 C ATOM 1006 OE1 GLU A 61 -9.970 3.541 1.528 1.00 71.25 O ATOM 1007 OE2 GLU A 61 -10.428 1.731 0.385 1.00 14.20 O ATOM 0 H GLU A 61 -7.982 2.900 -3.143 1.00 41.12 H new ATOM 0 HA GLU A 61 -8.124 5.518 -2.089 1.00 25.12 H new ATOM 0 HB2 GLU A 61 -7.480 2.860 -0.790 1.00 23.21 H new ATOM 0 HB3 GLU A 61 -7.723 4.353 0.095 1.00 23.21 H new ATOM 0 HG2 GLU A 61 -10.004 4.522 -0.919 1.00 23.34 H new ATOM 0 HG3 GLU A 61 -9.748 2.959 -1.669 1.00 23.34 H new ATOM 1014 N VAL A 62 -5.181 4.188 -2.355 1.00 42.20 N ATOM 1015 CA VAL A 62 -3.759 4.457 -2.296 1.00 44.44 C ATOM 1016 C VAL A 62 -3.390 5.588 -3.283 1.00 72.41 C ATOM 1017 O VAL A 62 -2.669 6.522 -2.932 1.00 62.20 O ATOM 1018 CB VAL A 62 -2.941 3.183 -2.599 1.00 63.22 C ATOM 1019 CG1 VAL A 62 -1.476 3.432 -2.401 1.00 11.40 C ATOM 1020 CG2 VAL A 62 -3.387 2.043 -1.703 1.00 45.20 C ATOM 0 H VAL A 62 -5.422 3.309 -2.814 1.00 42.20 H new ATOM 0 HA VAL A 62 -3.513 4.780 -1.284 1.00 44.44 H new ATOM 0 HB VAL A 62 -3.115 2.911 -3.640 1.00 63.22 H new ATOM 0 HG11 VAL A 62 -0.919 2.521 -2.620 1.00 11.40 H new ATOM 0 HG12 VAL A 62 -1.148 4.227 -3.070 1.00 11.40 H new ATOM 0 HG13 VAL A 62 -1.294 3.729 -1.368 1.00 11.40 H new ATOM 0 HG21 VAL A 62 -2.801 1.152 -1.929 1.00 45.20 H new ATOM 0 HG22 VAL A 62 -3.238 2.321 -0.660 1.00 45.20 H new ATOM 0 HG23 VAL A 62 -4.443 1.836 -1.876 1.00 45.20 H new ATOM 1030 N ALA A 63 -3.940 5.524 -4.492 1.00 21.01 N ATOM 1031 CA ALA A 63 -3.730 6.567 -5.509 1.00 62.24 C ATOM 1032 C ALA A 63 -4.379 7.861 -5.069 1.00 53.42 C ATOM 1033 O ALA A 63 -3.937 8.928 -5.396 1.00 62.41 O ATOM 1034 CB ALA A 63 -4.279 6.129 -6.862 1.00 62.33 C ATOM 0 H ALA A 63 -4.539 4.758 -4.799 1.00 21.01 H new ATOM 0 HA ALA A 63 -2.658 6.729 -5.617 1.00 62.24 H new ATOM 0 HB1 ALA A 63 -4.111 6.918 -7.595 1.00 62.33 H new ATOM 0 HB2 ALA A 63 -3.771 5.220 -7.184 1.00 62.33 H new ATOM 0 HB3 ALA A 63 -5.348 5.936 -6.776 1.00 62.33 H new ATOM 1040 N ASN A 64 -5.443 7.717 -4.331 1.00 71.24 N ATOM 1041 CA ASN A 64 -6.191 8.811 -3.727 1.00 53.54 C ATOM 1042 C ASN A 64 -5.435 9.405 -2.551 1.00 70.11 C ATOM 1043 O ASN A 64 -5.575 10.582 -2.238 1.00 2.40 O ATOM 1044 CB ASN A 64 -7.562 8.286 -3.326 1.00 4.04 C ATOM 1045 CG ASN A 64 -8.316 9.078 -2.286 1.00 62.32 C ATOM 1046 OD1 ASN A 64 -9.032 10.026 -2.603 1.00 4.11 O ATOM 1047 ND2 ASN A 64 -8.208 8.648 -1.044 1.00 24.32 N ATOM 0 H ASN A 64 -5.839 6.801 -4.118 1.00 71.24 H new ATOM 0 HA ASN A 64 -6.318 9.622 -4.444 1.00 53.54 H new ATOM 0 HB2 ASN A 64 -8.179 8.228 -4.223 1.00 4.04 H new ATOM 0 HB3 ASN A 64 -7.441 7.268 -2.956 1.00 4.04 H new ATOM 0 HD21 ASN A 64 -8.732 9.106 -0.298 1.00 24.32 H new ATOM 0 HD22 ASN A 64 -7.601 7.857 -0.829 1.00 24.32 H new ATOM 1054 N LEU A 65 -4.646 8.586 -1.906 1.00 14.44 N ATOM 1055 CA LEU A 65 -3.840 9.027 -0.814 1.00 50.04 C ATOM 1056 C LEU A 65 -2.700 9.878 -1.388 1.00 63.25 C ATOM 1057 O LEU A 65 -2.536 11.052 -1.048 1.00 50.20 O ATOM 1058 CB LEU A 65 -3.210 7.819 -0.105 1.00 3.30 C ATOM 1059 CG LEU A 65 -2.978 7.935 1.401 1.00 24.42 C ATOM 1060 CD1 LEU A 65 -2.967 9.342 1.856 1.00 22.14 C ATOM 1061 CD2 LEU A 65 -3.989 7.183 2.162 1.00 52.43 C ATOM 0 H LEU A 65 -4.549 7.595 -2.128 1.00 14.44 H new ATOM 0 HA LEU A 65 -4.452 9.590 -0.109 1.00 50.04 H new ATOM 0 HB2 LEU A 65 -3.848 6.953 -0.283 1.00 3.30 H new ATOM 0 HB3 LEU A 65 -2.251 7.611 -0.579 1.00 3.30 H new ATOM 0 HG LEU A 65 -1.995 7.504 1.591 1.00 24.42 H new ATOM 0 HD11 LEU A 65 -2.799 9.375 2.932 1.00 22.14 H new ATOM 0 HD12 LEU A 65 -2.169 9.883 1.347 1.00 22.14 H new ATOM 0 HD13 LEU A 65 -3.925 9.807 1.624 1.00 22.14 H new ATOM 0 HD21 LEU A 65 -3.793 7.288 3.229 1.00 52.43 H new ATOM 0 HD22 LEU A 65 -4.981 7.574 1.935 1.00 52.43 H new ATOM 0 HD23 LEU A 65 -3.943 6.129 1.886 1.00 52.43 H new ATOM 1073 N PHE A 66 -1.957 9.280 -2.293 1.00 54.14 N ATOM 1074 CA PHE A 66 -0.777 9.896 -2.865 1.00 21.44 C ATOM 1075 C PHE A 66 -1.091 10.457 -4.248 1.00 31.02 C ATOM 1076 O PHE A 66 -0.331 10.224 -5.199 1.00 55.23 O ATOM 1077 CB PHE A 66 0.340 8.847 -3.006 1.00 53.13 C ATOM 1078 CG PHE A 66 0.601 8.012 -1.776 1.00 2.21 C ATOM 1079 CD1 PHE A 66 0.789 8.598 -0.539 1.00 3.33 C ATOM 1080 CD2 PHE A 66 0.651 6.632 -1.868 1.00 63.13 C ATOM 1081 CE1 PHE A 66 1.024 7.829 0.580 1.00 75.24 C ATOM 1082 CE2 PHE A 66 0.885 5.859 -0.754 1.00 2.31 C ATOM 1083 CZ PHE A 66 1.073 6.459 0.472 1.00 34.50 C ATOM 0 H PHE A 66 -2.154 8.347 -2.656 1.00 54.14 H new ATOM 0 HA PHE A 66 -0.456 10.703 -2.206 1.00 21.44 H new ATOM 0 HB2 PHE A 66 0.087 8.180 -3.830 1.00 53.13 H new ATOM 0 HB3 PHE A 66 1.263 9.358 -3.280 1.00 53.13 H new ATOM 0 HD1 PHE A 66 0.751 9.673 -0.448 1.00 3.33 H new ATOM 0 HD2 PHE A 66 0.505 6.156 -2.826 1.00 63.13 H new ATOM 0 HE1 PHE A 66 1.169 8.301 1.540 1.00 75.24 H new ATOM 0 HE2 PHE A 66 0.921 4.783 -0.841 1.00 2.31 H new ATOM 0 HZ PHE A 66 1.259 5.854 1.347 1.00 34.50 H new ATOM 1093 N ARG A 67 -2.190 11.205 -4.368 1.00 54.44 N ATOM 1094 CA ARG A 67 -2.564 11.766 -5.664 1.00 64.11 C ATOM 1095 C ARG A 67 -1.479 12.721 -6.126 1.00 42.34 C ATOM 1096 O ARG A 67 -0.968 13.525 -5.340 1.00 64.35 O ATOM 1097 CB ARG A 67 -3.906 12.516 -5.637 1.00 1.34 C ATOM 1098 CG ARG A 67 -5.067 11.759 -5.075 1.00 41.33 C ATOM 1099 CD ARG A 67 -6.359 12.514 -5.291 1.00 71.03 C ATOM 1100 NE ARG A 67 -6.686 12.595 -6.715 1.00 24.55 N ATOM 1101 CZ ARG A 67 -7.530 13.458 -7.280 1.00 31.52 C ATOM 1102 NH1 ARG A 67 -8.143 14.390 -6.555 1.00 13.23 N ATOM 1103 NH2 ARG A 67 -7.749 13.390 -8.582 1.00 61.14 N ATOM 0 H ARG A 67 -2.823 11.432 -3.601 1.00 54.44 H new ATOM 0 HA ARG A 67 -2.676 10.927 -6.351 1.00 64.11 H new ATOM 0 HB2 ARG A 67 -3.778 13.430 -5.057 1.00 1.34 H new ATOM 0 HB3 ARG A 67 -4.152 12.817 -6.655 1.00 1.34 H new ATOM 0 HG2 ARG A 67 -5.130 10.779 -5.548 1.00 41.33 H new ATOM 0 HG3 ARG A 67 -4.914 11.589 -4.009 1.00 41.33 H new ATOM 0 HD2 ARG A 67 -7.168 12.018 -4.756 1.00 71.03 H new ATOM 0 HD3 ARG A 67 -6.271 13.518 -4.876 1.00 71.03 H new ATOM 0 HE ARG A 67 -6.224 11.928 -7.334 1.00 24.55 H new ATOM 0 HH11 ARG A 67 -7.970 14.451 -5.552 1.00 13.23 H new ATOM 0 HH12 ARG A 67 -8.786 15.043 -7.002 1.00 13.23 H new ATOM 0 HH21 ARG A 67 -7.274 12.683 -9.143 1.00 61.14 H new ATOM 0 HH22 ARG A 67 -8.393 14.045 -9.026 1.00 61.14 H new ATOM 1117 N GLY A 68 -1.098 12.611 -7.359 1.00 51.41 N ATOM 1118 CA GLY A 68 -0.059 13.448 -7.868 1.00 64.44 C ATOM 1119 C GLY A 68 1.255 12.722 -7.870 1.00 60.41 C ATOM 1120 O GLY A 68 1.977 12.742 -8.864 1.00 62.01 O ATOM 0 H GLY A 68 -1.490 11.951 -8.031 1.00 51.41 H new ATOM 0 HA2 GLY A 68 -0.305 13.767 -8.881 1.00 64.44 H new ATOM 0 HA3 GLY A 68 0.019 14.349 -7.260 1.00 64.44 H new ATOM 1124 N GLN A 69 1.581 12.081 -6.761 1.00 72.34 N ATOM 1125 CA GLN A 69 2.763 11.294 -6.634 1.00 53.51 C ATOM 1126 C GLN A 69 2.624 9.971 -7.366 1.00 32.11 C ATOM 1127 O GLN A 69 2.590 8.897 -6.761 1.00 51.35 O ATOM 1128 CB GLN A 69 3.086 11.055 -5.174 1.00 72.15 C ATOM 1129 CG GLN A 69 3.579 12.271 -4.399 1.00 25.31 C ATOM 1130 CD GLN A 69 2.613 13.425 -4.291 1.00 12.32 C ATOM 1131 OE1 GLN A 69 1.806 13.487 -3.374 1.00 3.12 O ATOM 1132 NE2 GLN A 69 2.722 14.366 -5.190 1.00 4.45 N ATOM 0 H GLN A 69 1.011 12.103 -5.916 1.00 72.34 H new ATOM 0 HA GLN A 69 3.584 11.848 -7.090 1.00 53.51 H new ATOM 0 HB2 GLN A 69 2.193 10.671 -4.681 1.00 72.15 H new ATOM 0 HB3 GLN A 69 3.845 10.275 -5.112 1.00 72.15 H new ATOM 0 HG2 GLN A 69 3.845 11.951 -3.392 1.00 25.31 H new ATOM 0 HG3 GLN A 69 4.493 12.631 -4.871 1.00 25.31 H new ATOM 0 HE21 GLN A 69 3.408 14.278 -5.940 1.00 4.45 H new ATOM 0 HE22 GLN A 69 2.122 15.189 -5.142 1.00 4.45 H new ATOM 1141 N GLU A 70 2.561 10.062 -8.670 1.00 41.54 N ATOM 1142 CA GLU A 70 2.406 8.921 -9.539 1.00 5.52 C ATOM 1143 C GLU A 70 3.620 8.029 -9.456 1.00 41.34 C ATOM 1144 O GLU A 70 3.536 6.832 -9.695 1.00 24.12 O ATOM 1145 CB GLU A 70 2.177 9.390 -10.954 1.00 31.02 C ATOM 1146 CG GLU A 70 0.972 10.295 -11.082 1.00 53.23 C ATOM 1147 CD GLU A 70 0.816 10.819 -12.461 1.00 60.14 C ATOM 1148 OE1 GLU A 70 1.493 11.810 -12.804 1.00 61.23 O ATOM 1149 OE2 GLU A 70 0.041 10.238 -13.241 1.00 33.03 O ATOM 0 H GLU A 70 2.617 10.950 -9.169 1.00 41.54 H new ATOM 0 HA GLU A 70 1.541 8.340 -9.219 1.00 5.52 H new ATOM 0 HB2 GLU A 70 3.063 9.920 -11.304 1.00 31.02 H new ATOM 0 HB3 GLU A 70 2.046 8.524 -11.603 1.00 31.02 H new ATOM 0 HG2 GLU A 70 0.074 9.746 -10.799 1.00 53.23 H new ATOM 0 HG3 GLU A 70 1.069 11.128 -10.386 1.00 53.23 H new ATOM 1156 N ASP A 71 4.735 8.619 -9.087 1.00 52.21 N ATOM 1157 CA ASP A 71 5.975 7.896 -8.875 1.00 61.41 C ATOM 1158 C ASP A 71 5.785 6.875 -7.751 1.00 15.34 C ATOM 1159 O ASP A 71 6.095 5.703 -7.912 1.00 2.03 O ATOM 1160 CB ASP A 71 7.090 8.882 -8.539 1.00 64.33 C ATOM 1161 CG ASP A 71 8.443 8.244 -8.372 1.00 70.43 C ATOM 1162 OD1 ASP A 71 8.841 7.438 -9.233 1.00 51.31 O ATOM 1163 OD2 ASP A 71 9.141 8.553 -7.385 1.00 23.40 O ATOM 0 H ASP A 71 4.810 9.623 -8.923 1.00 52.21 H new ATOM 0 HA ASP A 71 6.253 7.360 -9.783 1.00 61.41 H new ATOM 0 HB2 ASP A 71 7.148 9.631 -9.328 1.00 64.33 H new ATOM 0 HB3 ASP A 71 6.832 9.407 -7.619 1.00 64.33 H new ATOM 1168 N LEU A 72 5.174 7.319 -6.648 1.00 13.41 N ATOM 1169 CA LEU A 72 4.875 6.440 -5.504 1.00 20.41 C ATOM 1170 C LEU A 72 3.852 5.384 -5.893 1.00 12.50 C ATOM 1171 O LEU A 72 3.914 4.240 -5.443 1.00 14.14 O ATOM 1172 CB LEU A 72 4.330 7.237 -4.310 1.00 3.11 C ATOM 1173 CG LEU A 72 5.294 8.191 -3.613 1.00 70.34 C ATOM 1174 CD1 LEU A 72 4.569 8.960 -2.530 1.00 4.31 C ATOM 1175 CD2 LEU A 72 6.439 7.421 -3.000 1.00 31.44 C ATOM 0 H LEU A 72 4.874 8.285 -6.519 1.00 13.41 H new ATOM 0 HA LEU A 72 5.811 5.962 -5.215 1.00 20.41 H new ATOM 0 HB2 LEU A 72 3.471 7.814 -4.652 1.00 3.11 H new ATOM 0 HB3 LEU A 72 3.962 6.527 -3.569 1.00 3.11 H new ATOM 0 HG LEU A 72 5.687 8.889 -4.352 1.00 70.34 H new ATOM 0 HD11 LEU A 72 5.265 9.639 -2.038 1.00 4.31 H new ATOM 0 HD12 LEU A 72 3.755 9.534 -2.974 1.00 4.31 H new ATOM 0 HD13 LEU A 72 4.163 8.262 -1.798 1.00 4.31 H new ATOM 0 HD21 LEU A 72 7.120 8.114 -2.506 1.00 31.44 H new ATOM 0 HD22 LEU A 72 6.050 6.711 -2.270 1.00 31.44 H new ATOM 0 HD23 LEU A 72 6.974 6.882 -3.781 1.00 31.44 H new ATOM 1187 N LEU A 73 2.935 5.769 -6.747 1.00 32.33 N ATOM 1188 CA LEU A 73 1.871 4.883 -7.189 1.00 42.34 C ATOM 1189 C LEU A 73 2.446 3.802 -8.101 1.00 4.41 C ATOM 1190 O LEU A 73 2.014 2.652 -8.082 1.00 11.11 O ATOM 1191 CB LEU A 73 0.780 5.701 -7.894 1.00 32.02 C ATOM 1192 CG LEU A 73 0.234 6.888 -7.076 1.00 73.10 C ATOM 1193 CD1 LEU A 73 -0.836 7.654 -7.814 1.00 25.32 C ATOM 1194 CD2 LEU A 73 -0.276 6.443 -5.724 1.00 62.15 C ATOM 0 H LEU A 73 2.900 6.702 -7.158 1.00 32.33 H new ATOM 0 HA LEU A 73 1.417 4.388 -6.331 1.00 42.34 H new ATOM 0 HB2 LEU A 73 1.180 6.079 -8.835 1.00 32.02 H new ATOM 0 HB3 LEU A 73 -0.048 5.038 -8.143 1.00 32.02 H new ATOM 0 HG LEU A 73 1.075 7.564 -6.923 1.00 73.10 H new ATOM 0 HD11 LEU A 73 -1.186 8.479 -7.194 1.00 25.32 H new ATOM 0 HD12 LEU A 73 -0.426 8.048 -8.744 1.00 25.32 H new ATOM 0 HD13 LEU A 73 -1.670 6.989 -8.038 1.00 25.32 H new ATOM 0 HD21 LEU A 73 -0.653 7.306 -5.175 1.00 62.15 H new ATOM 0 HD22 LEU A 73 -1.080 5.719 -5.859 1.00 62.15 H new ATOM 0 HD23 LEU A 73 0.537 5.983 -5.162 1.00 62.15 H new ATOM 1206 N SER A 74 3.458 4.176 -8.851 1.00 63.02 N ATOM 1207 CA SER A 74 4.153 3.263 -9.722 1.00 15.03 C ATOM 1208 C SER A 74 5.001 2.296 -8.894 1.00 62.53 C ATOM 1209 O SER A 74 5.012 1.096 -9.157 1.00 11.11 O ATOM 1210 CB SER A 74 5.005 4.048 -10.707 1.00 62.40 C ATOM 1211 OG SER A 74 4.185 4.935 -11.465 1.00 70.12 O ATOM 0 H SER A 74 3.822 5.129 -8.872 1.00 63.02 H new ATOM 0 HA SER A 74 3.433 2.673 -10.289 1.00 15.03 H new ATOM 0 HB2 SER A 74 5.767 4.613 -10.171 1.00 62.40 H new ATOM 0 HB3 SER A 74 5.527 3.363 -11.375 1.00 62.40 H new ATOM 0 HG SER A 74 4.009 5.745 -10.942 1.00 70.12 H new ATOM 1217 N GLU A 75 5.675 2.826 -7.863 1.00 62.23 N ATOM 1218 CA GLU A 75 6.449 1.999 -6.937 1.00 1.14 C ATOM 1219 C GLU A 75 5.521 0.964 -6.288 1.00 10.34 C ATOM 1220 O GLU A 75 5.886 -0.198 -6.127 1.00 10.14 O ATOM 1221 CB GLU A 75 7.074 2.852 -5.833 1.00 53.34 C ATOM 1222 CG GLU A 75 8.046 3.934 -6.280 1.00 72.40 C ATOM 1223 CD GLU A 75 9.296 3.398 -6.917 1.00 73.43 C ATOM 1224 OE1 GLU A 75 10.171 2.885 -6.196 1.00 23.10 O ATOM 1225 OE2 GLU A 75 9.461 3.539 -8.142 1.00 33.21 O ATOM 0 H GLU A 75 5.697 3.824 -7.653 1.00 62.23 H new ATOM 0 HA GLU A 75 7.244 1.507 -7.498 1.00 1.14 H new ATOM 0 HB2 GLU A 75 6.269 3.327 -5.272 1.00 53.34 H new ATOM 0 HB3 GLU A 75 7.595 2.189 -5.143 1.00 53.34 H new ATOM 0 HG2 GLU A 75 7.542 4.593 -6.987 1.00 72.40 H new ATOM 0 HG3 GLU A 75 8.320 4.542 -5.418 1.00 72.40 H new ATOM 1232 N PHE A 76 4.308 1.413 -5.948 1.00 23.23 N ATOM 1233 CA PHE A 76 3.263 0.569 -5.365 1.00 34.31 C ATOM 1234 C PHE A 76 2.882 -0.530 -6.335 1.00 52.01 C ATOM 1235 O PHE A 76 2.868 -1.693 -5.967 1.00 34.53 O ATOM 1236 CB PHE A 76 2.047 1.436 -4.985 1.00 72.12 C ATOM 1237 CG PHE A 76 0.965 0.719 -4.222 1.00 24.23 C ATOM 1238 CD1 PHE A 76 1.252 0.073 -3.027 1.00 53.52 C ATOM 1239 CD2 PHE A 76 -0.335 0.695 -4.695 1.00 12.15 C ATOM 1240 CE1 PHE A 76 0.264 -0.582 -2.321 1.00 23.15 C ATOM 1241 CE2 PHE A 76 -1.330 0.042 -3.992 1.00 21.54 C ATOM 1242 CZ PHE A 76 -1.030 -0.597 -2.803 1.00 10.10 C ATOM 0 H PHE A 76 4.022 2.384 -6.072 1.00 23.23 H new ATOM 0 HA PHE A 76 3.638 0.095 -4.458 1.00 34.31 H new ATOM 0 HB2 PHE A 76 2.394 2.279 -4.387 1.00 72.12 H new ATOM 0 HB3 PHE A 76 1.615 1.848 -5.897 1.00 72.12 H new ATOM 0 HD1 PHE A 76 2.262 0.083 -2.645 1.00 53.52 H new ATOM 0 HD2 PHE A 76 -0.575 1.192 -5.623 1.00 12.15 H new ATOM 0 HE1 PHE A 76 0.502 -1.082 -1.394 1.00 23.15 H new ATOM 0 HE2 PHE A 76 -2.341 0.031 -4.371 1.00 21.54 H new ATOM 0 HZ PHE A 76 -1.806 -1.107 -2.252 1.00 10.10 H new