USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 674 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 57 LYS NZ :NH3+ 174:sc= 1.25 (180deg=-0.0254) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.828 K(o=2.1,f=-9.8!) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.04 USER MOD Set 2.2: A 22 THR OG1 : rot 148:sc= 0.147 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.131 USER MOD Single : A 21 MET CE :methyl -159:sc= -0.154 (180deg=-1.14) USER MOD Single : A 30 ASN : amide:sc= -0.0563 K(o=-0.056,f=-1.9!) USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.144 USER MOD Single : A 37 SER OG : rot -94:sc= 0.05 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 127:sc= 1.25 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.048 K(o=-0.048,f=-1.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 79:sc= 1.25 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 155:sc= -0.0653 (180deg=-0.538) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.0156 (180deg=-0.129) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc=-0.000562 (180deg=-0.0994) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 5.973 13.009 -9.355 1.00 0.00 N ATOM 175 CA ARG A 11 5.892 12.231 -8.126 1.00 0.00 C ATOM 176 C ARG A 11 5.154 10.917 -8.387 1.00 0.00 C ATOM 177 O ARG A 11 4.983 10.092 -7.490 1.00 0.00 O ATOM 178 CB ARG A 11 5.192 13.057 -7.038 1.00 0.00 C ATOM 179 CG ARG A 11 5.187 12.414 -5.656 1.00 0.00 C ATOM 180 CD ARG A 11 6.594 12.099 -5.170 1.00 0.00 C ATOM 181 NE ARG A 11 6.598 11.669 -3.773 1.00 0.00 N ATOM 182 CZ ARG A 11 7.322 10.662 -3.290 1.00 0.00 C ATOM 183 NH1 ARG A 11 8.121 9.956 -4.088 1.00 0.00 N ATOM 184 NH2 ARG A 11 7.249 10.366 -1.999 1.00 0.00 N ATOM 0 HA ARG A 11 6.896 11.989 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.679 14.030 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.161 13.237 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.699 13.083 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.599 11.496 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.028 11.317 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.224 12.982 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 11 6.002 12.178 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.183 10.185 -5.080 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.671 9.186 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.641 10.908 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.800 9.596 -1.620 1.00 0.00 H new ATOM 198 N SER A 12 4.724 10.733 -9.626 1.00 0.00 N ATOM 199 CA SER A 12 4.104 9.487 -10.045 1.00 0.00 C ATOM 200 C SER A 12 5.149 8.376 -10.069 1.00 0.00 C ATOM 201 O SER A 12 6.020 8.341 -10.944 1.00 0.00 O ATOM 202 CB SER A 12 3.471 9.672 -11.422 1.00 0.00 C ATOM 203 OG SER A 12 2.548 10.752 -11.405 1.00 0.00 O ATOM 0 H SER A 12 4.794 11.436 -10.362 1.00 0.00 H new ATOM 0 HA SER A 12 3.322 9.206 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.248 9.861 -12.163 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.962 8.756 -11.721 1.00 0.00 H new ATOM 0 HG SER A 12 2.152 10.858 -12.295 1.00 0.00 H new ATOM 209 N VAL A 13 5.059 7.480 -9.097 1.00 0.00 N ATOM 210 CA VAL A 13 6.092 6.484 -8.878 1.00 0.00 C ATOM 211 C VAL A 13 5.970 5.322 -9.851 1.00 0.00 C ATOM 212 O VAL A 13 4.871 4.826 -10.127 1.00 0.00 O ATOM 213 CB VAL A 13 6.072 5.940 -7.428 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.496 7.016 -6.438 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.694 5.396 -7.071 1.00 0.00 C ATOM 0 H VAL A 13 4.276 7.424 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 13 7.042 6.991 -9.050 1.00 0.00 H new ATOM 0 HB VAL A 13 6.788 5.121 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.474 6.609 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.507 7.349 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.811 7.861 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.705 5.020 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.955 6.193 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.435 4.586 -7.753 1.00 0.00 H new ATOM 225 N THR A 14 7.105 4.902 -10.378 1.00 0.00 N ATOM 226 CA THR A 14 7.163 3.725 -11.211 1.00 0.00 C ATOM 227 C THR A 14 7.574 2.527 -10.371 1.00 0.00 C ATOM 228 O THR A 14 8.732 2.401 -9.968 1.00 0.00 O ATOM 229 CB THR A 14 8.153 3.897 -12.376 1.00 0.00 C ATOM 230 OG1 THR A 14 7.817 5.078 -13.122 1.00 0.00 O ATOM 231 CG2 THR A 14 8.128 2.682 -13.294 1.00 0.00 C ATOM 0 H THR A 14 8.003 5.365 -10.240 1.00 0.00 H new ATOM 0 HA THR A 14 6.171 3.567 -11.634 1.00 0.00 H new ATOM 0 HB THR A 14 9.158 3.995 -11.966 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.449 5.188 -13.863 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.836 2.828 -14.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.404 1.793 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.125 2.555 -13.702 1.00 0.00 H new ATOM 239 N LEU A 15 6.604 1.680 -10.074 1.00 0.00 N ATOM 240 CA LEU A 15 6.855 0.458 -9.334 1.00 0.00 C ATOM 241 C LEU A 15 7.808 -0.428 -10.124 1.00 0.00 C ATOM 242 O LEU A 15 7.613 -0.619 -11.323 1.00 0.00 O ATOM 243 CB LEU A 15 5.537 -0.287 -9.085 1.00 0.00 C ATOM 244 CG LEU A 15 4.506 0.474 -8.246 1.00 0.00 C ATOM 245 CD1 LEU A 15 3.143 -0.190 -8.344 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.945 0.535 -6.796 1.00 0.00 C ATOM 0 H LEU A 15 5.628 1.819 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 15 7.305 0.708 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.089 -0.531 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.760 -1.231 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 15 4.432 1.489 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.424 0.365 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.816 -0.198 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.210 -1.214 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.202 1.079 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.045 -0.477 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.905 1.047 -6.728 1.00 0.00 H new ATOM 258 N PRO A 16 8.842 -0.987 -9.466 1.00 0.00 N ATOM 259 CA PRO A 16 9.814 -1.884 -10.112 1.00 0.00 C ATOM 260 C PRO A 16 9.145 -3.121 -10.709 1.00 0.00 C ATOM 261 O PRO A 16 9.758 -3.884 -11.453 1.00 0.00 O ATOM 262 CB PRO A 16 10.754 -2.284 -8.969 1.00 0.00 C ATOM 263 CG PRO A 16 10.593 -1.212 -7.950 1.00 0.00 C ATOM 264 CD PRO A 16 9.159 -0.775 -8.043 1.00 0.00 C ATOM 0 HA PRO A 16 10.323 -1.400 -10.945 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.488 -3.260 -8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.787 -2.352 -9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.825 -1.583 -6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.269 -0.380 -8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.514 -1.366 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.035 0.268 -7.753 1.00 0.00 H new ATOM 272 N ASP A 17 7.877 -3.299 -10.372 1.00 0.00 N ATOM 273 CA ASP A 17 7.072 -4.394 -10.895 1.00 0.00 C ATOM 274 C ASP A 17 6.556 -4.056 -12.292 1.00 0.00 C ATOM 275 O ASP A 17 6.245 -4.940 -13.092 1.00 0.00 O ATOM 276 CB ASP A 17 5.903 -4.661 -9.944 1.00 0.00 C ATOM 277 CG ASP A 17 4.935 -5.701 -10.468 1.00 0.00 C ATOM 278 OD1 ASP A 17 5.349 -6.861 -10.667 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.746 -5.366 -10.658 1.00 0.00 O ATOM 0 H ASP A 17 7.376 -2.688 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 17 7.688 -5.290 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.294 -4.990 -8.981 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.365 -3.729 -9.768 1.00 0.00 H new ATOM 284 N GLY A 18 6.500 -2.764 -12.585 1.00 0.00 N ATOM 285 CA GLY A 18 6.003 -2.307 -13.865 1.00 0.00 C ATOM 286 C GLY A 18 4.613 -1.714 -13.764 1.00 0.00 C ATOM 287 O GLY A 18 3.692 -2.152 -14.451 1.00 0.00 O ATOM 0 H GLY A 18 6.793 -2.020 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.685 -1.560 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.989 -3.142 -14.566 1.00 0.00 H new ATOM 291 N SER A 19 4.451 -0.723 -12.899 1.00 0.00 N ATOM 292 CA SER A 19 3.159 -0.067 -12.722 1.00 0.00 C ATOM 293 C SER A 19 3.357 1.360 -12.255 1.00 0.00 C ATOM 294 O SER A 19 4.330 1.673 -11.572 1.00 0.00 O ATOM 295 CB SER A 19 2.292 -0.830 -11.716 1.00 0.00 C ATOM 296 OG SER A 19 2.247 -2.216 -12.012 1.00 0.00 O ATOM 0 H SER A 19 5.196 -0.354 -12.308 1.00 0.00 H new ATOM 0 HA SER A 19 2.646 -0.061 -13.684 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.687 -0.685 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.281 -0.423 -11.723 1.00 0.00 H new ATOM 0 HG SER A 19 1.687 -2.674 -11.351 1.00 0.00 H new ATOM 302 N ILE A 20 2.428 2.216 -12.629 1.00 0.00 N ATOM 303 CA ILE A 20 2.525 3.625 -12.323 1.00 0.00 C ATOM 304 C ILE A 20 1.480 4.003 -11.288 1.00 0.00 C ATOM 305 O ILE A 20 0.285 3.834 -11.518 1.00 0.00 O ATOM 306 CB ILE A 20 2.323 4.478 -13.590 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.175 3.944 -14.749 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.675 5.921 -13.301 1.00 0.00 C ATOM 309 CD1 ILE A 20 4.668 3.949 -14.474 1.00 0.00 C ATOM 0 H ILE A 20 1.591 1.955 -13.150 1.00 0.00 H new ATOM 0 HA ILE A 20 3.522 3.819 -11.927 1.00 0.00 H new ATOM 0 HB ILE A 20 1.275 4.419 -13.884 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.862 2.925 -14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.978 4.544 -15.637 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.530 6.518 -14.201 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.032 6.300 -12.506 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.717 5.986 -12.987 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.199 3.557 -15.341 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.998 4.969 -14.277 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.880 3.325 -13.606 1.00 0.00 H new ATOM 321 N MET A 21 1.927 4.495 -10.145 1.00 0.00 N ATOM 322 CA MET A 21 1.010 4.890 -9.090 1.00 0.00 C ATOM 323 C MET A 21 1.172 6.362 -8.756 1.00 0.00 C ATOM 324 O MET A 21 2.283 6.887 -8.732 1.00 0.00 O ATOM 325 CB MET A 21 1.210 4.046 -7.828 1.00 0.00 C ATOM 326 CG MET A 21 0.784 2.597 -7.991 1.00 0.00 C ATOM 327 SD MET A 21 -0.938 2.424 -8.504 1.00 0.00 S ATOM 328 CE MET A 21 -1.787 3.249 -7.159 1.00 0.00 C ATOM 0 H MET A 21 2.914 4.630 -9.925 1.00 0.00 H new ATOM 0 HA MET A 21 -0.001 4.719 -9.460 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.262 4.077 -7.543 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.645 4.492 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.427 2.115 -8.727 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.931 2.072 -7.047 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.824 2.916 -7.125 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.297 3.007 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.757 4.327 -7.317 1.00 0.00 H new ATOM 338 N THR A 22 0.055 7.019 -8.511 1.00 0.00 N ATOM 339 CA THR A 22 0.053 8.430 -8.185 1.00 0.00 C ATOM 340 C THR A 22 -1.293 8.810 -7.582 1.00 0.00 C ATOM 341 O THR A 22 -2.168 7.953 -7.418 1.00 0.00 O ATOM 342 CB THR A 22 0.369 9.297 -9.428 1.00 0.00 C ATOM 343 OG1 THR A 22 0.460 10.686 -9.080 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.678 9.111 -10.515 1.00 0.00 C ATOM 0 H THR A 22 -0.871 6.592 -8.532 1.00 0.00 H new ATOM 0 HA THR A 22 0.838 8.621 -7.453 1.00 0.00 H new ATOM 0 HB THR A 22 1.333 8.965 -9.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.110 11.128 -9.665 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.426 9.734 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.703 8.065 -10.821 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.656 9.401 -10.131 1.00 0.00 H new ATOM 352 N ARG A 23 -1.459 10.083 -7.262 1.00 0.00 N ATOM 353 CA ARG A 23 -2.637 10.561 -6.541 1.00 0.00 C ATOM 354 C ARG A 23 -3.915 10.389 -7.367 1.00 0.00 C ATOM 355 O ARG A 23 -5.018 10.417 -6.829 1.00 0.00 O ATOM 356 CB ARG A 23 -2.453 12.032 -6.151 1.00 0.00 C ATOM 357 CG ARG A 23 -1.128 12.312 -5.459 1.00 0.00 C ATOM 358 CD ARG A 23 -0.993 13.773 -5.063 1.00 0.00 C ATOM 359 NE ARG A 23 -1.861 14.121 -3.942 1.00 0.00 N ATOM 360 CZ ARG A 23 -2.259 15.359 -3.657 1.00 0.00 C ATOM 361 NH1 ARG A 23 -1.918 16.367 -4.453 1.00 0.00 N ATOM 362 NH2 ARG A 23 -3.001 15.583 -2.581 1.00 0.00 N ATOM 0 H ARG A 23 -0.787 10.815 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.743 9.958 -5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.524 12.649 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.269 12.330 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.043 11.686 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.307 12.038 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.043 13.982 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.236 14.404 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.184 13.366 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.351 16.192 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.223 17.315 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.266 14.808 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.307 16.531 -2.361 1.00 0.00 H new ATOM 376 N ALA A 24 -3.757 10.200 -8.672 1.00 0.00 N ATOM 377 CA ALA A 24 -4.896 10.028 -9.566 1.00 0.00 C ATOM 378 C ALA A 24 -5.314 8.562 -9.661 1.00 0.00 C ATOM 379 O ALA A 24 -6.395 8.241 -10.155 1.00 0.00 O ATOM 380 CB ALA A 24 -4.561 10.571 -10.943 1.00 0.00 C ATOM 0 H ALA A 24 -2.849 10.162 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.737 10.587 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.417 10.439 -11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.321 11.632 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.703 10.033 -11.347 1.00 0.00 H new ATOM 386 N ASP A 25 -4.447 7.676 -9.189 1.00 0.00 N ATOM 387 CA ASP A 25 -4.704 6.242 -9.253 1.00 0.00 C ATOM 388 C ASP A 25 -5.059 5.702 -7.872 1.00 0.00 C ATOM 389 O ASP A 25 -5.682 4.646 -7.741 1.00 0.00 O ATOM 390 CB ASP A 25 -3.485 5.500 -9.818 1.00 0.00 C ATOM 391 CG ASP A 25 -3.236 5.826 -11.282 1.00 0.00 C ATOM 392 OD1 ASP A 25 -2.749 6.936 -11.577 1.00 0.00 O ATOM 393 OD2 ASP A 25 -3.522 4.972 -12.146 1.00 0.00 O ATOM 0 H ASP A 25 -3.557 7.925 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.550 6.075 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.602 5.761 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.634 4.426 -9.708 1.00 0.00 H new ATOM 398 N LEU A 26 -4.665 6.444 -6.847 1.00 0.00 N ATOM 399 CA LEU A 26 -4.976 6.089 -5.469 1.00 0.00 C ATOM 400 C LEU A 26 -6.436 6.380 -5.149 1.00 0.00 C ATOM 401 O LEU A 26 -6.926 7.476 -5.423 1.00 0.00 O ATOM 402 CB LEU A 26 -4.079 6.869 -4.502 1.00 0.00 C ATOM 403 CG LEU A 26 -2.611 6.447 -4.483 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.793 7.411 -3.637 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.479 5.030 -3.944 1.00 0.00 C ATOM 0 H LEU A 26 -4.124 7.303 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.795 5.021 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.132 7.927 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.482 6.764 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.229 6.471 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.749 7.097 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.868 8.415 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.175 7.413 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.428 4.740 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.875 4.988 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.039 4.345 -4.581 1.00 0.00 H new ATOM 417 N PRO A 27 -7.159 5.386 -4.605 1.00 0.00 N ATOM 418 CA PRO A 27 -8.500 5.594 -4.049 1.00 0.00 C ATOM 419 C PRO A 27 -8.506 6.741 -3.030 1.00 0.00 C ATOM 420 O PRO A 27 -7.827 6.665 -2.009 1.00 0.00 O ATOM 421 CB PRO A 27 -8.799 4.256 -3.369 1.00 0.00 C ATOM 422 CG PRO A 27 -8.020 3.267 -4.165 1.00 0.00 C ATOM 423 CD PRO A 27 -6.740 3.973 -4.516 1.00 0.00 C ATOM 0 HA PRO A 27 -9.238 5.871 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.489 4.261 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.865 4.030 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.827 2.362 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.563 2.966 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.975 3.825 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.325 3.614 -5.458 1.00 0.00 H new ATOM 431 N PRO A 28 -9.268 7.816 -3.311 1.00 0.00 N ATOM 432 CA PRO A 28 -9.273 9.049 -2.500 1.00 0.00 C ATOM 433 C PRO A 28 -9.509 8.798 -1.017 1.00 0.00 C ATOM 434 O PRO A 28 -8.885 9.423 -0.159 1.00 0.00 O ATOM 435 CB PRO A 28 -10.438 9.864 -3.080 1.00 0.00 C ATOM 436 CG PRO A 28 -11.180 8.934 -3.986 1.00 0.00 C ATOM 437 CD PRO A 28 -10.181 7.922 -4.455 1.00 0.00 C ATOM 0 HA PRO A 28 -8.305 9.548 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.087 10.237 -2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.072 10.733 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.004 8.452 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.612 9.474 -4.829 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.651 6.967 -4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.664 8.251 -5.357 1.00 0.00 H new ATOM 445 N ALA A 29 -10.419 7.883 -0.739 1.00 0.00 N ATOM 446 CA ALA A 29 -10.801 7.532 0.623 1.00 0.00 C ATOM 447 C ALA A 29 -11.740 6.347 0.574 1.00 0.00 C ATOM 448 O ALA A 29 -11.712 5.465 1.431 1.00 0.00 O ATOM 449 CB ALA A 29 -11.469 8.707 1.327 1.00 0.00 C ATOM 0 H ALA A 29 -10.920 7.357 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.906 7.275 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.743 8.416 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.778 9.549 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.365 8.998 0.779 1.00 0.00 H new ATOM 455 N ASN A 30 -12.577 6.338 -0.450 1.00 0.00 N ATOM 456 CA ASN A 30 -13.469 5.227 -0.699 1.00 0.00 C ATOM 457 C ASN A 30 -13.798 5.182 -2.180 1.00 0.00 C ATOM 458 O ASN A 30 -14.686 5.885 -2.655 1.00 0.00 O ATOM 459 CB ASN A 30 -14.746 5.340 0.136 1.00 0.00 C ATOM 460 CG ASN A 30 -15.070 4.041 0.842 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.738 3.167 0.290 1.00 0.00 O ATOM 462 ND2 ASN A 30 -14.583 3.895 2.066 1.00 0.00 N ATOM 0 H ASN A 30 -12.654 7.098 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.974 4.302 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.630 6.135 0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.579 5.621 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.757 3.034 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.034 4.643 2.489 1.00 0.00 H new ATOM 469 N THR A 31 -13.034 4.391 -2.911 1.00 0.00 N ATOM 470 CA THR A 31 -13.199 4.271 -4.350 1.00 0.00 C ATOM 471 C THR A 31 -14.500 3.542 -4.682 1.00 0.00 C ATOM 472 O THR A 31 -15.174 3.022 -3.790 1.00 0.00 O ATOM 473 CB THR A 31 -12.000 3.525 -4.976 1.00 0.00 C ATOM 474 OG1 THR A 31 -12.078 3.560 -6.406 1.00 0.00 O ATOM 475 CG2 THR A 31 -11.949 2.081 -4.497 1.00 0.00 C ATOM 0 H THR A 31 -12.284 3.816 -2.527 1.00 0.00 H new ATOM 0 HA THR A 31 -13.243 5.276 -4.771 1.00 0.00 H new ATOM 0 HB THR A 31 -11.088 4.030 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.183 3.704 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.096 1.577 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.846 2.061 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.868 1.570 -4.784 1.00 0.00 H new ATOM 483 N ARG A 32 -14.847 3.500 -5.961 1.00 0.00 N ATOM 484 CA ARG A 32 -16.063 2.835 -6.392 1.00 0.00 C ATOM 485 C ARG A 32 -15.771 1.375 -6.688 1.00 0.00 C ATOM 486 O ARG A 32 -15.104 1.054 -7.673 1.00 0.00 O ATOM 487 CB ARG A 32 -16.676 3.524 -7.618 1.00 0.00 C ATOM 488 CG ARG A 32 -17.103 4.962 -7.355 1.00 0.00 C ATOM 489 CD ARG A 32 -15.983 5.951 -7.645 1.00 0.00 C ATOM 490 NE ARG A 32 -15.947 6.331 -9.055 1.00 0.00 N ATOM 491 CZ ARG A 32 -14.833 6.468 -9.779 1.00 0.00 C ATOM 492 NH1 ARG A 32 -13.648 6.160 -9.259 1.00 0.00 N ATOM 493 NH2 ARG A 32 -14.913 6.901 -11.029 1.00 0.00 N ATOM 0 H ARG A 32 -14.303 3.919 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.793 2.898 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.952 3.511 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -17.541 2.952 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.968 5.202 -7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.416 5.063 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.117 6.842 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.027 5.510 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.838 6.504 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.585 5.816 -8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.802 6.267 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.822 7.128 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.066 7.008 -11.587 1.00 0.00 H new ATOM 507 N ARG A 33 -16.261 0.508 -5.804 1.00 0.00 N ATOM 508 CA ARG A 33 -16.000 -0.927 -5.863 1.00 0.00 C ATOM 509 C ARG A 33 -14.545 -1.227 -5.520 1.00 0.00 C ATOM 510 O ARG A 33 -13.652 -1.159 -6.373 1.00 0.00 O ATOM 511 CB ARG A 33 -16.376 -1.524 -7.226 1.00 0.00 C ATOM 512 CG ARG A 33 -17.871 -1.495 -7.508 1.00 0.00 C ATOM 513 CD ARG A 33 -18.204 -2.140 -8.842 1.00 0.00 C ATOM 514 NE ARG A 33 -19.648 -2.220 -9.054 1.00 0.00 N ATOM 515 CZ ARG A 33 -20.215 -2.619 -10.193 1.00 0.00 C ATOM 516 NH1 ARG A 33 -19.469 -2.959 -11.235 1.00 0.00 N ATOM 517 NH2 ARG A 33 -21.537 -2.669 -10.289 1.00 0.00 N ATOM 0 H ARG A 33 -16.854 0.784 -5.022 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.636 -1.403 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.855 -0.975 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.025 -2.555 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.402 -2.014 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.222 -0.463 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.748 -1.566 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.774 -3.141 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.260 -1.954 -8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.452 -2.917 -11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.912 -3.263 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -22.117 -2.403 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.974 -2.974 -11.159 1.00 0.00 H new ATOM 531 N TRP A 34 -14.312 -1.524 -4.246 1.00 0.00 N ATOM 532 CA TRP A 34 -12.990 -1.905 -3.768 1.00 0.00 C ATOM 533 C TRP A 34 -12.642 -3.316 -4.220 1.00 0.00 C ATOM 534 O TRP A 34 -12.801 -4.275 -3.465 1.00 0.00 O ATOM 535 CB TRP A 34 -12.914 -1.838 -2.238 1.00 0.00 C ATOM 536 CG TRP A 34 -12.869 -0.449 -1.679 1.00 0.00 C ATOM 537 CD1 TRP A 34 -13.930 0.352 -1.369 1.00 0.00 C ATOM 538 CD2 TRP A 34 -11.695 0.293 -1.342 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.486 1.547 -0.859 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.116 1.535 -0.833 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.325 0.024 -1.418 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.215 2.507 -0.405 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.432 0.991 -0.997 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.881 2.218 -0.492 1.00 0.00 C ATOM 0 H TRP A 34 -15.029 -1.507 -3.521 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.275 -1.199 -4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.777 -2.356 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.027 -2.378 -1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -14.968 0.085 -1.505 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.079 2.317 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -9.971 -0.923 -1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.558 3.455 -0.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.371 0.798 -1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.159 2.951 -0.165 1.00 0.00 H new ATOM 555 N VAL A 35 -12.208 -3.446 -5.462 1.00 0.00 N ATOM 556 CA VAL A 35 -11.765 -4.733 -5.970 1.00 0.00 C ATOM 557 C VAL A 35 -10.395 -5.073 -5.391 1.00 0.00 C ATOM 558 O VAL A 35 -9.675 -4.183 -4.931 1.00 0.00 O ATOM 559 CB VAL A 35 -11.718 -4.765 -7.514 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.114 -4.586 -8.090 1.00 0.00 C ATOM 561 CG2 VAL A 35 -10.783 -3.701 -8.063 1.00 0.00 C ATOM 0 H VAL A 35 -12.153 -2.681 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.492 -5.482 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.332 -5.739 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.064 -4.611 -9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.759 -5.391 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.521 -3.628 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.774 -3.752 -9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.128 -2.716 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.776 -3.871 -7.683 1.00 0.00 H new ATOM 571 N ALA A 36 -10.040 -6.352 -5.418 1.00 0.00 N ATOM 572 CA ALA A 36 -8.811 -6.826 -4.786 1.00 0.00 C ATOM 573 C ALA A 36 -7.587 -6.097 -5.325 1.00 0.00 C ATOM 574 O ALA A 36 -6.727 -5.659 -4.561 1.00 0.00 O ATOM 575 CB ALA A 36 -8.658 -8.327 -4.979 1.00 0.00 C ATOM 0 H ALA A 36 -10.587 -7.083 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.884 -6.611 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.737 -8.663 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.508 -8.840 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.619 -8.555 -6.044 1.00 0.00 H new ATOM 581 N SER A 37 -7.530 -5.945 -6.639 1.00 0.00 N ATOM 582 CA SER A 37 -6.401 -5.302 -7.288 1.00 0.00 C ATOM 583 C SER A 37 -6.304 -3.824 -6.910 1.00 0.00 C ATOM 584 O SER A 37 -5.212 -3.270 -6.815 1.00 0.00 O ATOM 585 CB SER A 37 -6.527 -5.464 -8.798 1.00 0.00 C ATOM 586 OG SER A 37 -7.877 -5.314 -9.213 1.00 0.00 O ATOM 0 H SER A 37 -8.258 -6.261 -7.279 1.00 0.00 H new ATOM 0 HA SER A 37 -5.484 -5.783 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.904 -4.724 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.158 -6.446 -9.094 1.00 0.00 H new ATOM 0 HG SER A 37 -8.304 -6.195 -9.263 1.00 0.00 H new ATOM 592 N ARG A 38 -7.450 -3.198 -6.671 1.00 0.00 N ATOM 593 CA ARG A 38 -7.481 -1.783 -6.313 1.00 0.00 C ATOM 594 C ARG A 38 -7.003 -1.595 -4.885 1.00 0.00 C ATOM 595 O ARG A 38 -6.385 -0.586 -4.558 1.00 0.00 O ATOM 596 CB ARG A 38 -8.882 -1.203 -6.484 1.00 0.00 C ATOM 597 CG ARG A 38 -8.883 0.181 -7.116 1.00 0.00 C ATOM 598 CD ARG A 38 -10.298 0.685 -7.344 1.00 0.00 C ATOM 599 NE ARG A 38 -10.350 1.799 -8.294 1.00 0.00 N ATOM 600 CZ ARG A 38 -11.369 2.007 -9.128 1.00 0.00 C ATOM 601 NH1 ARG A 38 -12.424 1.203 -9.101 1.00 0.00 N ATOM 602 NH2 ARG A 38 -11.342 3.027 -9.975 1.00 0.00 N ATOM 0 H ARG A 38 -8.366 -3.644 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.811 -1.247 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.475 -1.878 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.369 -1.151 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.347 0.877 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.349 0.149 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.916 -0.133 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.725 1.003 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.565 2.450 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.456 0.425 -8.442 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.203 1.363 -9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.539 3.656 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.124 3.182 -10.611 1.00 0.00 H new ATOM 616 N LYS A 39 -7.287 -2.578 -4.040 1.00 0.00 N ATOM 617 CA LYS A 39 -6.779 -2.578 -2.674 1.00 0.00 C ATOM 618 C LYS A 39 -5.263 -2.739 -2.689 1.00 0.00 C ATOM 619 O LYS A 39 -4.536 -2.008 -2.013 1.00 0.00 O ATOM 620 CB LYS A 39 -7.414 -3.706 -1.856 1.00 0.00 C ATOM 621 CG LYS A 39 -8.913 -3.558 -1.654 1.00 0.00 C ATOM 622 CD LYS A 39 -9.451 -4.634 -0.723 1.00 0.00 C ATOM 623 CE LYS A 39 -10.921 -4.426 -0.395 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.374 -5.336 0.694 1.00 0.00 N ATOM 0 H LYS A 39 -7.865 -3.384 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.040 -1.628 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.217 -4.656 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.929 -3.750 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.132 -2.573 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.420 -3.619 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.318 -5.612 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.871 -4.637 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.085 -3.391 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.522 -4.599 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.344 -5.087 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.352 -6.319 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.742 -5.238 1.514 1.00 0.00 H new ATOM 638 N ILE A 40 -4.803 -3.693 -3.490 1.00 0.00 N ATOM 639 CA ILE A 40 -3.381 -3.927 -3.692 1.00 0.00 C ATOM 640 C ILE A 40 -2.699 -2.669 -4.236 1.00 0.00 C ATOM 641 O ILE A 40 -1.561 -2.351 -3.872 1.00 0.00 O ATOM 642 CB ILE A 40 -3.157 -5.109 -4.665 1.00 0.00 C ATOM 643 CG1 ILE A 40 -3.675 -6.411 -4.046 1.00 0.00 C ATOM 644 CG2 ILE A 40 -1.689 -5.244 -5.037 1.00 0.00 C ATOM 645 CD1 ILE A 40 -3.605 -7.605 -4.976 1.00 0.00 C ATOM 0 H ILE A 40 -5.406 -4.325 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.939 -4.176 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.716 -4.906 -5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.098 -6.629 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.709 -6.267 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.563 -6.083 -5.722 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.350 -4.327 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.100 -5.419 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.989 -8.488 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.206 -7.410 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.569 -7.778 -5.269 1.00 0.00 H new ATOM 657 N ALA A 41 -3.407 -1.952 -5.099 1.00 0.00 N ATOM 658 CA ALA A 41 -2.897 -0.715 -5.667 1.00 0.00 C ATOM 659 C ALA A 41 -2.664 0.334 -4.582 1.00 0.00 C ATOM 660 O ALA A 41 -1.697 1.094 -4.644 1.00 0.00 O ATOM 661 CB ALA A 41 -3.849 -0.186 -6.733 1.00 0.00 C ATOM 0 H ALA A 41 -4.340 -2.209 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.937 -0.929 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.452 0.741 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.952 -0.925 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.825 0.005 -6.287 1.00 0.00 H new ATOM 667 N VAL A 42 -3.534 0.356 -3.574 1.00 0.00 N ATOM 668 CA VAL A 42 -3.412 1.332 -2.499 1.00 0.00 C ATOM 669 C VAL A 42 -2.128 1.103 -1.713 1.00 0.00 C ATOM 670 O VAL A 42 -1.324 2.016 -1.565 1.00 0.00 O ATOM 671 CB VAL A 42 -4.604 1.299 -1.516 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.548 2.488 -0.568 1.00 0.00 C ATOM 673 CG2 VAL A 42 -5.927 1.281 -2.254 1.00 0.00 C ATOM 0 H VAL A 42 -4.322 -0.285 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.398 2.310 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.528 0.380 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.395 2.448 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.619 2.456 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.589 3.414 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.745 1.258 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.012 2.176 -2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.977 0.396 -2.889 1.00 0.00 H new ATOM 683 N VAL A 43 -1.929 -0.123 -1.230 1.00 0.00 N ATOM 684 CA VAL A 43 -0.750 -0.438 -0.418 1.00 0.00 C ATOM 685 C VAL A 43 0.552 -0.154 -1.168 1.00 0.00 C ATOM 686 O VAL A 43 1.482 0.419 -0.605 1.00 0.00 O ATOM 687 CB VAL A 43 -0.742 -1.899 0.093 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.123 -1.946 1.562 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.681 -2.780 -0.715 1.00 0.00 C ATOM 0 H VAL A 43 -2.561 -0.909 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.813 0.221 0.448 1.00 0.00 H new ATOM 0 HB VAL A 43 0.270 -2.285 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.113 -2.980 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.408 -1.363 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.122 -1.529 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.649 -3.798 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.698 -2.395 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.371 -2.780 -1.760 1.00 0.00 H new ATOM 699 N ARG A 44 0.610 -0.538 -2.437 1.00 0.00 N ATOM 700 CA ARG A 44 1.778 -0.254 -3.273 1.00 0.00 C ATOM 701 C ARG A 44 1.967 1.250 -3.431 1.00 0.00 C ATOM 702 O ARG A 44 3.082 1.764 -3.301 1.00 0.00 O ATOM 703 CB ARG A 44 1.619 -0.931 -4.644 1.00 0.00 C ATOM 704 CG ARG A 44 1.709 -2.446 -4.570 1.00 0.00 C ATOM 705 CD ARG A 44 1.041 -3.128 -5.758 1.00 0.00 C ATOM 706 NE ARG A 44 1.714 -2.873 -7.034 1.00 0.00 N ATOM 707 CZ ARG A 44 2.080 -3.840 -7.887 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.917 -5.115 -7.552 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.619 -3.531 -9.066 1.00 0.00 N ATOM 0 H ARG A 44 -0.135 -1.047 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 44 2.667 -0.657 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.657 -0.650 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.390 -0.559 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.757 -2.743 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.242 -2.790 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.012 -4.203 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.008 -2.789 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 44 1.915 -1.906 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.514 -5.357 -6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.195 -5.852 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.755 -2.554 -9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.895 -4.272 -9.710 1.00 0.00 H new ATOM 723 N GLY A 45 0.864 1.949 -3.669 1.00 0.00 N ATOM 724 CA GLY A 45 0.916 3.379 -3.893 1.00 0.00 C ATOM 725 C GLY A 45 1.273 4.171 -2.650 1.00 0.00 C ATOM 726 O GLY A 45 1.992 5.162 -2.735 1.00 0.00 O ATOM 0 H GLY A 45 -0.072 1.546 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.648 3.591 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.052 3.716 -4.264 1.00 0.00 H new ATOM 730 N VAL A 46 0.774 3.755 -1.494 1.00 0.00 N ATOM 731 CA VAL A 46 1.080 4.465 -0.257 1.00 0.00 C ATOM 732 C VAL A 46 2.474 4.106 0.255 1.00 0.00 C ATOM 733 O VAL A 46 3.331 4.981 0.363 1.00 0.00 O ATOM 734 CB VAL A 46 0.019 4.232 0.861 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.317 4.839 0.471 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.161 2.757 1.191 1.00 0.00 C ATOM 0 H VAL A 46 0.166 2.944 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 46 1.053 5.526 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 46 0.394 4.728 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.042 4.664 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.198 5.912 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.671 4.378 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.910 2.648 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.488 2.222 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.787 2.343 1.535 1.00 0.00 H new ATOM 746 N ILE A 47 2.703 2.815 0.497 1.00 0.00 N ATOM 747 CA ILE A 47 3.918 2.336 1.151 1.00 0.00 C ATOM 748 C ILE A 47 5.176 2.712 0.374 1.00 0.00 C ATOM 749 O ILE A 47 6.105 3.300 0.930 1.00 0.00 O ATOM 750 CB ILE A 47 3.874 0.798 1.336 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.774 0.410 2.329 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.218 0.263 1.799 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.631 -1.086 2.521 1.00 0.00 C ATOM 0 H ILE A 47 2.050 2.073 0.245 1.00 0.00 H new ATOM 0 HA ILE A 47 3.960 2.822 2.126 1.00 0.00 H new ATOM 0 HB ILE A 47 3.648 0.349 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.986 0.873 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.824 0.816 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.157 -0.819 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.980 0.503 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.483 0.721 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.834 -1.286 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.388 -1.554 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.568 -1.496 2.897 1.00 0.00 H new ATOM 765 N TYR A 48 5.200 2.386 -0.906 1.00 0.00 N ATOM 766 CA TYR A 48 6.385 2.609 -1.711 1.00 0.00 C ATOM 767 C TYR A 48 6.317 3.962 -2.407 1.00 0.00 C ATOM 768 O TYR A 48 7.332 4.514 -2.834 1.00 0.00 O ATOM 769 CB TYR A 48 6.532 1.479 -2.734 1.00 0.00 C ATOM 770 CG TYR A 48 7.677 1.672 -3.698 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.994 1.538 -3.282 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.434 1.997 -5.022 1.00 0.00 C ATOM 773 CE1 TYR A 48 10.039 1.723 -4.164 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.474 2.182 -5.913 1.00 0.00 C ATOM 775 CZ TYR A 48 9.774 2.048 -5.478 1.00 0.00 C ATOM 776 OH TYR A 48 10.814 2.233 -6.360 1.00 0.00 O ATOM 0 H TYR A 48 4.416 1.968 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 48 7.260 2.613 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.672 0.537 -2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.604 1.391 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.204 1.285 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.415 2.108 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.059 1.614 -3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.269 2.430 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 48 10.457 2.456 -7.245 1.00 0.00 H new ATOM 786 N GLY A 49 5.116 4.505 -2.493 1.00 0.00 N ATOM 787 CA GLY A 49 4.911 5.701 -3.269 1.00 0.00 C ATOM 788 C GLY A 49 5.023 6.982 -2.467 1.00 0.00 C ATOM 789 O GLY A 49 6.018 7.696 -2.572 1.00 0.00 O ATOM 0 H GLY A 49 4.280 4.137 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.640 5.726 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.924 5.658 -3.730 1.00 0.00 H new ATOM 793 N LEU A 50 4.015 7.274 -1.658 1.00 0.00 N ATOM 794 CA LEU A 50 3.876 8.611 -1.091 1.00 0.00 C ATOM 795 C LEU A 50 4.242 8.679 0.389 1.00 0.00 C ATOM 796 O LEU A 50 5.317 9.160 0.748 1.00 0.00 O ATOM 797 CB LEU A 50 2.448 9.138 -1.292 1.00 0.00 C ATOM 798 CG LEU A 50 2.096 9.608 -2.711 1.00 0.00 C ATOM 799 CD1 LEU A 50 1.965 8.435 -3.670 1.00 0.00 C ATOM 800 CD2 LEU A 50 0.813 10.420 -2.690 1.00 0.00 C ATOM 0 H LEU A 50 3.289 6.614 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 50 4.585 9.241 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.749 8.352 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.289 9.970 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 50 2.911 10.238 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.715 8.804 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.909 7.891 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.177 7.767 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.573 10.748 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.001 9.805 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.944 11.291 -2.048 1.00 0.00 H new ATOM 812 N ILE A 51 3.354 8.187 1.242 1.00 0.00 N ATOM 813 CA ILE A 51 3.465 8.424 2.679 1.00 0.00 C ATOM 814 C ILE A 51 3.723 7.135 3.446 1.00 0.00 C ATOM 815 O ILE A 51 3.595 6.038 2.907 1.00 0.00 O ATOM 816 CB ILE A 51 2.193 9.102 3.261 1.00 0.00 C ATOM 817 CG1 ILE A 51 0.987 8.138 3.280 1.00 0.00 C ATOM 818 CG2 ILE A 51 1.853 10.364 2.480 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.449 7.757 1.918 1.00 0.00 C ATOM 0 H ILE A 51 2.550 7.623 0.967 1.00 0.00 H new ATOM 0 HA ILE A 51 4.315 9.096 2.803 1.00 0.00 H new ATOM 0 HB ILE A 51 2.412 9.375 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.277 7.229 3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.183 8.597 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.960 10.824 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.686 11.065 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.670 10.108 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.395 7.078 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.122 8.654 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.232 7.264 1.342 1.00 0.00 H new ATOM 831 N THR A 52 4.084 7.275 4.712 1.00 0.00 N ATOM 832 CA THR A 52 4.279 6.124 5.574 1.00 0.00 C ATOM 833 C THR A 52 2.935 5.562 6.015 1.00 0.00 C ATOM 834 O THR A 52 1.889 6.189 5.805 1.00 0.00 O ATOM 835 CB THR A 52 5.116 6.486 6.815 1.00 0.00 C ATOM 836 OG1 THR A 52 4.501 7.576 7.521 1.00 0.00 O ATOM 837 CG2 THR A 52 6.539 6.858 6.424 1.00 0.00 C ATOM 0 H THR A 52 4.247 8.175 5.164 1.00 0.00 H new ATOM 0 HA THR A 52 4.820 5.371 5.001 1.00 0.00 H new ATOM 0 HB THR A 52 5.158 5.612 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.038 7.799 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.108 7.109 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.010 6.015 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.519 7.717 5.753 1.00 0.00 H new ATOM 845 N LEU A 53 2.959 4.389 6.634 1.00 0.00 N ATOM 846 CA LEU A 53 1.735 3.743 7.089 1.00 0.00 C ATOM 847 C LEU A 53 1.010 4.591 8.135 1.00 0.00 C ATOM 848 O LEU A 53 -0.196 4.466 8.305 1.00 0.00 O ATOM 849 CB LEU A 53 2.041 2.346 7.650 1.00 0.00 C ATOM 850 CG LEU A 53 0.844 1.606 8.255 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.277 1.464 7.236 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.272 0.241 8.776 1.00 0.00 C ATOM 0 H LEU A 53 3.812 3.866 6.832 1.00 0.00 H new ATOM 0 HA LEU A 53 1.075 3.640 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.458 1.735 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.813 2.441 8.414 1.00 0.00 H new ATOM 0 HG LEU A 53 0.466 2.193 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.116 0.935 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.603 2.453 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.083 0.902 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.410 -0.272 9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.677 -0.351 7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.036 0.368 9.544 1.00 0.00 H new ATOM 864 N ALA A 54 1.738 5.461 8.823 1.00 0.00 N ATOM 865 CA ALA A 54 1.131 6.330 9.825 1.00 0.00 C ATOM 866 C ALA A 54 0.073 7.231 9.190 1.00 0.00 C ATOM 867 O ALA A 54 -1.099 7.203 9.574 1.00 0.00 O ATOM 868 CB ALA A 54 2.196 7.167 10.515 1.00 0.00 C ATOM 0 H ALA A 54 2.744 5.584 8.707 1.00 0.00 H new ATOM 0 HA ALA A 54 0.643 5.703 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.727 7.810 11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.915 6.510 11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.710 7.782 9.777 1.00 0.00 H new ATOM 874 N GLU A 55 0.491 8.000 8.193 1.00 0.00 N ATOM 875 CA GLU A 55 -0.403 8.909 7.485 1.00 0.00 C ATOM 876 C GLU A 55 -1.521 8.111 6.813 1.00 0.00 C ATOM 877 O GLU A 55 -2.694 8.488 6.851 1.00 0.00 O ATOM 878 CB GLU A 55 0.401 9.696 6.439 1.00 0.00 C ATOM 879 CG GLU A 55 -0.079 11.123 6.198 1.00 0.00 C ATOM 880 CD GLU A 55 -1.500 11.210 5.684 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.711 11.083 4.461 1.00 0.00 O ATOM 882 OE2 GLU A 55 -2.409 11.426 6.505 1.00 0.00 O ATOM 0 H GLU A 55 1.453 8.012 7.853 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.852 9.610 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.444 9.728 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.369 9.153 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.004 11.684 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.587 11.604 5.482 1.00 0.00 H new ATOM 889 N ALA A 56 -1.148 6.975 6.240 1.00 0.00 N ATOM 890 CA ALA A 56 -2.089 6.127 5.524 1.00 0.00 C ATOM 891 C ALA A 56 -3.026 5.382 6.469 1.00 0.00 C ATOM 892 O ALA A 56 -4.004 4.808 6.025 1.00 0.00 O ATOM 893 CB ALA A 56 -1.342 5.141 4.638 1.00 0.00 C ATOM 0 H ALA A 56 -0.193 6.618 6.258 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.704 6.778 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.058 4.513 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.735 5.688 3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.697 4.515 5.254 1.00 0.00 H new ATOM 899 N LYS A 57 -2.738 5.394 7.762 1.00 0.00 N ATOM 900 CA LYS A 57 -3.589 4.703 8.726 1.00 0.00 C ATOM 901 C LYS A 57 -4.625 5.658 9.308 1.00 0.00 C ATOM 902 O LYS A 57 -5.805 5.325 9.405 1.00 0.00 O ATOM 903 CB LYS A 57 -2.745 4.072 9.838 1.00 0.00 C ATOM 904 CG LYS A 57 -3.557 3.269 10.845 1.00 0.00 C ATOM 905 CD LYS A 57 -2.673 2.367 11.699 1.00 0.00 C ATOM 906 CE LYS A 57 -1.653 3.154 12.510 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.290 4.038 13.524 1.00 0.00 N ATOM 0 H LYS A 57 -1.931 5.868 8.167 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.117 3.904 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.996 3.421 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.207 4.860 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.111 3.951 11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.292 2.662 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.299 1.784 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.152 1.658 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.978 2.460 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.046 3.758 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.554 4.474 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.833 4.783 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.928 3.476 14.123 1.00 0.00 H new ATOM 921 N GLN A 58 -4.198 6.853 9.675 1.00 0.00 N ATOM 922 CA GLN A 58 -5.121 7.838 10.223 1.00 0.00 C ATOM 923 C GLN A 58 -6.045 8.378 9.136 1.00 0.00 C ATOM 924 O GLN A 58 -7.169 8.799 9.415 1.00 0.00 O ATOM 925 CB GLN A 58 -4.370 8.987 10.900 1.00 0.00 C ATOM 926 CG GLN A 58 -3.918 8.678 12.323 1.00 0.00 C ATOM 927 CD GLN A 58 -2.914 7.548 12.402 1.00 0.00 C ATOM 928 OE1 GLN A 58 -3.280 6.378 12.530 1.00 0.00 O ATOM 929 NE2 GLN A 58 -1.639 7.890 12.323 1.00 0.00 N ATOM 0 H GLN A 58 -3.229 7.165 9.606 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.727 7.337 10.978 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.497 9.241 10.299 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.012 9.868 10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.480 9.575 12.760 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.789 8.423 12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.380 8.871 12.217 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.915 7.173 12.368 1.00 0.00 H new ATOM 938 N THR A 59 -5.576 8.358 7.896 1.00 0.00 N ATOM 939 CA THR A 59 -6.376 8.834 6.782 1.00 0.00 C ATOM 940 C THR A 59 -7.021 7.677 6.010 1.00 0.00 C ATOM 941 O THR A 59 -8.243 7.625 5.875 1.00 0.00 O ATOM 942 CB THR A 59 -5.531 9.703 5.831 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.919 10.767 6.571 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.390 10.293 4.720 1.00 0.00 C ATOM 0 H THR A 59 -4.649 8.018 7.639 1.00 0.00 H new ATOM 0 HA THR A 59 -7.176 9.445 7.199 1.00 0.00 H new ATOM 0 HB THR A 59 -4.766 9.071 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.954 10.770 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.768 10.902 4.064 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.844 9.487 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.173 10.913 5.156 1.00 0.00 H new ATOM 952 N TYR A 60 -6.210 6.735 5.527 1.00 0.00 N ATOM 953 CA TYR A 60 -6.722 5.652 4.685 1.00 0.00 C ATOM 954 C TYR A 60 -6.785 4.333 5.450 1.00 0.00 C ATOM 955 O TYR A 60 -6.888 3.277 4.841 1.00 0.00 O ATOM 956 CB TYR A 60 -5.847 5.451 3.439 1.00 0.00 C ATOM 957 CG TYR A 60 -5.464 6.726 2.722 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.412 7.480 2.042 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.148 7.168 2.716 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.056 8.636 1.374 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.787 8.322 2.053 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.744 9.055 1.386 1.00 0.00 C ATOM 963 OH TYR A 60 -4.384 10.203 0.722 1.00 0.00 O ATOM 0 H TYR A 60 -5.206 6.699 5.702 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.727 5.945 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.937 4.928 3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.377 4.803 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.443 7.158 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.394 6.598 3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.803 9.209 0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.758 8.650 2.057 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.422 10.356 0.831 1.00 0.00 H new ATOM 973 N GLY A 61 -6.713 4.399 6.779 1.00 0.00 N ATOM 974 CA GLY A 61 -6.581 3.191 7.585 1.00 0.00 C ATOM 975 C GLY A 61 -7.731 2.213 7.444 1.00 0.00 C ATOM 976 O GLY A 61 -7.547 1.020 7.675 1.00 0.00 O ATOM 0 H GLY A 61 -6.744 5.267 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.655 2.686 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.490 3.477 8.633 1.00 0.00 H new ATOM 980 N LEU A 62 -8.904 2.721 7.058 1.00 0.00 N ATOM 981 CA LEU A 62 -10.122 1.909 6.919 1.00 0.00 C ATOM 982 C LEU A 62 -10.412 1.159 8.218 1.00 0.00 C ATOM 983 O LEU A 62 -11.093 1.667 9.110 1.00 0.00 O ATOM 984 CB LEU A 62 -10.012 0.898 5.759 1.00 0.00 C ATOM 985 CG LEU A 62 -9.086 1.294 4.610 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.884 0.364 4.559 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.823 1.276 3.285 1.00 0.00 C ATOM 0 H LEU A 62 -9.039 3.706 6.832 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.940 2.594 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.669 -0.054 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.010 0.730 5.354 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.738 2.311 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.232 0.657 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.334 0.428 5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.223 -0.661 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.140 1.562 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.205 0.273 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.654 1.980 3.321 1.00 0.00 H new ATOM 999 N SER A 63 -9.886 -0.053 8.304 1.00 0.00 N ATOM 1000 CA SER A 63 -9.901 -0.844 9.519 1.00 0.00 C ATOM 1001 C SER A 63 -8.643 -1.702 9.529 1.00 0.00 C ATOM 1002 O SER A 63 -8.176 -2.115 8.466 1.00 0.00 O ATOM 1003 CB SER A 63 -11.157 -1.718 9.586 1.00 0.00 C ATOM 1004 OG SER A 63 -12.330 -0.921 9.542 1.00 0.00 O ATOM 0 H SER A 63 -9.431 -0.519 7.519 1.00 0.00 H new ATOM 0 HA SER A 63 -9.919 -0.192 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.160 -2.423 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.147 -2.307 10.503 1.00 0.00 H new ATOM 0 HG SER A 63 -13.120 -1.499 9.584 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.086 -1.951 10.706 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.831 -2.689 10.819 1.00 0.00 C ATOM 1012 C ASP A 64 -6.913 -4.044 10.115 1.00 0.00 C ATOM 1013 O ASP A 64 -5.991 -4.433 9.402 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.435 -2.867 12.294 1.00 0.00 C ATOM 1015 CG ASP A 64 -7.349 -3.811 13.056 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -8.579 -3.608 13.037 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -6.836 -4.757 13.689 1.00 0.00 O ATOM 0 H ASP A 64 -8.482 -1.654 11.598 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.058 -2.103 10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.413 -3.243 12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.441 -1.893 12.784 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.027 -4.741 10.286 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.227 -6.038 9.648 1.00 0.00 C ATOM 1024 C GLU A 65 -8.239 -5.901 8.125 1.00 0.00 C ATOM 1025 O GLU A 65 -7.693 -6.742 7.410 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.537 -6.658 10.118 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.705 -6.669 11.630 1.00 0.00 C ATOM 1028 CD GLU A 65 -11.042 -7.227 12.059 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -12.075 -6.784 11.519 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -11.072 -8.108 12.944 1.00 0.00 O ATOM 0 H GLU A 65 -8.809 -4.431 10.862 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.398 -6.686 9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.368 -6.109 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.597 -7.682 9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.907 -7.262 12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.599 -5.653 12.012 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.865 -4.831 7.645 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.947 -4.544 6.213 1.00 0.00 C ATOM 1039 C GLU A 66 -7.554 -4.360 5.623 1.00 0.00 C ATOM 1040 O GLU A 66 -7.150 -5.096 4.726 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.786 -3.277 5.982 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.849 -2.811 4.530 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.668 -3.722 3.634 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.913 -3.654 3.694 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.073 -4.482 2.840 1.00 0.00 O ATOM 0 H GLU A 66 -9.329 -4.139 8.234 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.425 -5.388 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.801 -3.460 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.377 -2.471 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.272 -1.807 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.835 -2.742 4.135 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.811 -3.405 6.167 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.495 -3.058 5.643 1.00 0.00 C ATOM 1054 C PHE A 67 -4.538 -4.250 5.750 1.00 0.00 C ATOM 1055 O PHE A 67 -3.755 -4.518 4.836 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.925 -1.854 6.401 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.848 -1.118 5.651 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.531 -1.545 5.698 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.159 0.004 4.893 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.543 -0.867 5.007 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.175 0.685 4.202 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.868 0.249 4.258 1.00 0.00 C ATOM 0 H PHE A 67 -7.099 -2.854 6.975 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.602 -2.796 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.736 -1.161 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.522 -2.195 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.273 -2.417 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.182 0.348 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.519 -1.209 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.429 1.558 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.098 0.779 3.717 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.616 -4.972 6.870 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.787 -6.162 7.075 1.00 0.00 C ATOM 1074 C ASN A 68 -4.072 -7.210 6.013 1.00 0.00 C ATOM 1075 O ASN A 68 -3.167 -7.916 5.577 1.00 0.00 O ATOM 1076 CB ASN A 68 -4.009 -6.775 8.465 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.323 -6.003 9.577 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.307 -5.343 9.362 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.863 -6.098 10.785 1.00 0.00 N ATOM 0 H ASN A 68 -5.242 -4.755 7.646 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.748 -5.842 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.079 -6.819 8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.642 -7.801 8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.435 -5.614 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.706 -6.655 10.924 1.00 0.00 H new ATOM 1086 N SER A 69 -5.323 -7.294 5.584 1.00 0.00 N ATOM 1087 CA SER A 69 -5.722 -8.271 4.584 1.00 0.00 C ATOM 1088 C SER A 69 -4.992 -8.023 3.269 1.00 0.00 C ATOM 1089 O SER A 69 -4.640 -8.967 2.561 1.00 0.00 O ATOM 1090 CB SER A 69 -7.239 -8.232 4.365 1.00 0.00 C ATOM 1091 OG SER A 69 -7.658 -9.244 3.463 1.00 0.00 O ATOM 0 H SER A 69 -6.080 -6.695 5.914 1.00 0.00 H new ATOM 0 HA SER A 69 -5.450 -9.261 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.749 -8.359 5.320 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.527 -7.255 3.977 1.00 0.00 H new ATOM 0 HG SER A 69 -8.630 -9.195 3.345 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.747 -6.754 2.956 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.060 -6.394 1.721 1.00 0.00 C ATOM 1099 C TRP A 70 -2.629 -6.905 1.762 1.00 0.00 C ATOM 1100 O TRP A 70 -2.170 -7.593 0.849 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.046 -4.875 1.520 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.395 -4.221 1.600 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.602 -4.825 1.799 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.667 -2.820 1.480 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.602 -3.886 1.833 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.056 -2.650 1.629 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -4.871 -1.695 1.263 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.663 -1.398 1.570 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.474 -0.456 1.204 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -6.857 -0.316 1.356 1.00 0.00 C ATOM 0 H TRP A 70 -5.013 -5.960 3.539 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.597 -6.851 0.890 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.395 -4.428 2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.607 -4.655 0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.749 -5.889 1.913 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.592 -4.079 1.986 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.802 -1.793 1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.731 -1.287 1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.867 0.422 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.297 0.669 1.303 1.00 0.00 H new ATOM 1121 N VAL A 71 -1.939 -6.583 2.849 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.551 -6.981 3.030 1.00 0.00 C ATOM 1123 C VAL A 71 -0.443 -8.499 3.154 1.00 0.00 C ATOM 1124 O VAL A 71 0.508 -9.104 2.665 1.00 0.00 O ATOM 1125 CB VAL A 71 0.057 -6.315 4.282 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.551 -6.588 4.372 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.216 -4.819 4.282 1.00 0.00 C ATOM 0 H VAL A 71 -2.323 -6.043 3.624 1.00 0.00 H new ATOM 0 HA VAL A 71 0.007 -6.651 2.154 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.420 -6.750 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.956 -6.108 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.722 -7.663 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.048 -6.189 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.221 -4.369 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.227 -4.368 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.292 -4.646 4.279 1.00 0.00 H new ATOM 1137 N SER A 72 -1.435 -9.106 3.791 1.00 0.00 N ATOM 1138 CA SER A 72 -1.471 -10.552 3.966 1.00 0.00 C ATOM 1139 C SER A 72 -1.656 -11.267 2.628 1.00 0.00 C ATOM 1140 O SER A 72 -1.179 -12.387 2.443 1.00 0.00 O ATOM 1141 CB SER A 72 -2.590 -10.932 4.936 1.00 0.00 C ATOM 1142 OG SER A 72 -2.335 -10.405 6.226 1.00 0.00 O ATOM 0 H SER A 72 -2.231 -8.615 4.198 1.00 0.00 H new ATOM 0 HA SER A 72 -0.515 -10.870 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.543 -10.555 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.677 -12.017 4.992 1.00 0.00 H new ATOM 0 HG SER A 72 -2.571 -9.454 6.243 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.336 -10.615 1.692 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.505 -11.167 0.355 1.00 0.00 C ATOM 1150 C ALA A 73 -1.222 -10.986 -0.447 1.00 0.00 C ATOM 1151 O ALA A 73 -0.839 -11.846 -1.240 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.680 -10.509 -0.355 1.00 0.00 C ATOM 0 H ALA A 73 -2.778 -9.707 1.834 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.718 -12.233 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.788 -10.936 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.593 -10.682 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.501 -9.437 -0.437 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.551 -9.867 -0.203 1.00 0.00 N ATOM 1159 CA LEU A 74 0.713 -9.552 -0.861 1.00 0.00 C ATOM 1160 C LEU A 74 1.869 -10.280 -0.190 1.00 0.00 C ATOM 1161 O LEU A 74 3.022 -10.167 -0.606 1.00 0.00 O ATOM 1162 CB LEU A 74 0.950 -8.047 -0.828 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.031 -7.234 -1.663 1.00 0.00 C ATOM 1164 CD1 LEU A 74 0.164 -5.754 -1.408 1.00 0.00 C ATOM 1165 CD2 LEU A 74 0.145 -7.554 -3.140 1.00 0.00 C ATOM 0 H LEU A 74 -0.866 -9.154 0.454 1.00 0.00 H new ATOM 0 HA LEU A 74 0.657 -9.885 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.897 -7.706 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.962 -7.844 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.047 -7.501 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.543 -5.185 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.005 -5.541 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.181 -5.469 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.562 -6.967 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.162 -7.310 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.039 -8.615 -3.307 1.00 0.00 H new ATOM 1177 N ALA A 75 1.551 -10.996 0.873 1.00 0.00 N ATOM 1178 CA ALA A 75 2.519 -11.834 1.552 1.00 0.00 C ATOM 1179 C ALA A 75 2.763 -13.107 0.767 1.00 0.00 C ATOM 1180 O ALA A 75 3.845 -13.691 0.844 1.00 0.00 O ATOM 1181 CB ALA A 75 2.025 -12.178 2.946 1.00 0.00 C ATOM 0 H ALA A 75 0.619 -11.012 1.287 1.00 0.00 H new ATOM 0 HA ALA A 75 3.457 -11.284 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.760 -12.808 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.882 -11.261 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.078 -12.712 2.875 1.00 0.00 H new ATOM 1187 N GLU A 76 1.745 -13.511 0.002 1.00 0.00 N ATOM 1188 CA GLU A 76 1.729 -14.794 -0.704 1.00 0.00 C ATOM 1189 C GLU A 76 1.635 -15.938 0.304 1.00 0.00 C ATOM 1190 O GLU A 76 0.681 -16.715 0.298 1.00 0.00 O ATOM 1191 CB GLU A 76 2.962 -14.952 -1.600 1.00 0.00 C ATOM 1192 CG GLU A 76 2.887 -16.147 -2.533 1.00 0.00 C ATOM 1193 CD GLU A 76 4.147 -16.323 -3.351 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.494 -15.406 -4.122 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.788 -17.388 -3.235 1.00 0.00 O ATOM 0 H GLU A 76 0.904 -12.953 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 76 0.853 -14.822 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.088 -14.046 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.847 -15.047 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.708 -17.050 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.036 -16.028 -3.204 1.00 0.00 H new ATOM 1202 N HIS A 77 2.627 -16.022 1.172 1.00 0.00 N ATOM 1203 CA HIS A 77 2.593 -16.935 2.301 1.00 0.00 C ATOM 1204 C HIS A 77 2.337 -16.138 3.571 1.00 0.00 C ATOM 1205 O HIS A 77 3.270 -15.679 4.234 1.00 0.00 O ATOM 1206 CB HIS A 77 3.904 -17.719 2.417 1.00 0.00 C ATOM 1207 CG HIS A 77 4.128 -18.699 1.304 1.00 0.00 C ATOM 1208 ND1 HIS A 77 3.751 -20.022 1.382 1.00 0.00 N ATOM 1209 CD2 HIS A 77 4.696 -18.548 0.081 1.00 0.00 C ATOM 1210 CE1 HIS A 77 4.077 -20.642 0.264 1.00 0.00 C ATOM 1211 NE2 HIS A 77 4.649 -19.771 -0.542 1.00 0.00 N ATOM 0 H HIS A 77 3.477 -15.461 1.115 1.00 0.00 H new ATOM 0 HA HIS A 77 1.791 -17.658 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.736 -17.015 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.913 -18.254 3.366 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.108 -17.637 -0.326 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.904 -21.686 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.000 -19.973 -1.478 1.00 0.00 H new ATOM 1220 N GLY A 78 1.067 -15.951 3.894 1.00 0.00 N ATOM 1221 CA GLY A 78 0.699 -15.071 4.986 1.00 0.00 C ATOM 1222 C GLY A 78 0.407 -15.814 6.270 1.00 0.00 C ATOM 1223 O GLY A 78 -0.580 -15.525 6.949 1.00 0.00 O ATOM 0 H GLY A 78 0.281 -16.394 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.506 -14.359 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.179 -14.493 4.699 1.00 0.00 H new ATOM 1227 N LYS A 79 1.249 -16.779 6.597 1.00 0.00 N ATOM 1228 CA LYS A 79 1.116 -17.511 7.846 1.00 0.00 C ATOM 1229 C LYS A 79 2.342 -17.311 8.723 1.00 0.00 C ATOM 1230 O LYS A 79 2.234 -17.221 9.946 1.00 0.00 O ATOM 1231 CB LYS A 79 0.897 -19.004 7.589 1.00 0.00 C ATOM 1232 CG LYS A 79 -0.504 -19.351 7.122 1.00 0.00 C ATOM 1233 CD LYS A 79 -1.549 -18.820 8.090 1.00 0.00 C ATOM 1234 CE LYS A 79 -2.880 -19.520 7.918 1.00 0.00 C ATOM 1235 NZ LYS A 79 -2.791 -20.958 8.281 1.00 0.00 N ATOM 0 H LYS A 79 2.033 -17.075 6.015 1.00 0.00 H new ATOM 0 HA LYS A 79 0.243 -17.117 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.613 -19.342 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.110 -19.555 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.675 -18.931 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.603 -20.433 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.198 -18.953 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.678 -17.749 7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.631 -19.033 8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.211 -19.425 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.730 -21.304 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.453 -21.503 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.127 -21.076 9.073 1.00 0.00 H new ATOM 1249 N ASP A 80 3.503 -17.252 8.090 1.00 0.00 N ATOM 1250 CA ASP A 80 4.755 -17.053 8.808 1.00 0.00 C ATOM 1251 C ASP A 80 5.019 -15.574 9.035 1.00 0.00 C ATOM 1252 O ASP A 80 5.640 -15.198 10.025 1.00 0.00 O ATOM 1253 CB ASP A 80 5.923 -17.677 8.042 1.00 0.00 C ATOM 1254 CG ASP A 80 5.902 -19.192 8.079 1.00 0.00 C ATOM 1255 OD1 ASP A 80 5.009 -19.798 7.452 1.00 0.00 O ATOM 1256 OD2 ASP A 80 6.777 -19.784 8.743 1.00 0.00 O ATOM 0 H ASP A 80 3.606 -17.339 7.079 1.00 0.00 H new ATOM 0 HA ASP A 80 4.666 -17.545 9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.893 -17.342 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.862 -17.320 8.465 1.00 0.00 H new ATOM 1261 N ALA A 81 4.567 -14.751 8.085 1.00 0.00 N ATOM 1262 CA ALA A 81 4.679 -13.287 8.161 1.00 0.00 C ATOM 1263 C ALA A 81 6.111 -12.800 7.915 1.00 0.00 C ATOM 1264 O ALA A 81 6.331 -11.640 7.574 1.00 0.00 O ATOM 1265 CB ALA A 81 4.148 -12.762 9.489 1.00 0.00 C ATOM 0 H ALA A 81 4.110 -15.081 7.235 1.00 0.00 H new ATOM 0 HA ALA A 81 4.060 -12.882 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.244 -11.677 9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.098 -13.036 9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.721 -13.197 10.308 1.00 0.00 H new ATOM 1271 N LEU A 82 7.081 -13.689 8.058 1.00 0.00 N ATOM 1272 CA LEU A 82 8.482 -13.343 7.816 1.00 0.00 C ATOM 1273 C LEU A 82 8.812 -13.421 6.329 1.00 0.00 C ATOM 1274 O LEU A 82 9.957 -13.230 5.922 1.00 0.00 O ATOM 1275 CB LEU A 82 9.425 -14.267 8.602 1.00 0.00 C ATOM 1276 CG LEU A 82 9.690 -13.879 10.065 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.209 -12.452 10.159 1.00 0.00 C ATOM 1278 CD2 LEU A 82 8.443 -14.049 10.919 1.00 0.00 C ATOM 0 H LEU A 82 6.929 -14.657 8.340 1.00 0.00 H new ATOM 0 HA LEU A 82 8.629 -12.319 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.010 -15.275 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.381 -14.306 8.079 1.00 0.00 H new ATOM 0 HG LEU A 82 10.455 -14.553 10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.390 -12.199 11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.140 -12.366 9.598 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.470 -11.768 9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.665 -13.766 11.948 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.647 -13.413 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.122 -15.090 10.890 1.00 0.00 H new ATOM 1290 N LYS A 83 7.801 -13.699 5.516 1.00 0.00 N ATOM 1291 CA LYS A 83 7.997 -13.861 4.082 1.00 0.00 C ATOM 1292 C LYS A 83 7.083 -12.931 3.297 1.00 0.00 C ATOM 1293 O LYS A 83 6.987 -13.033 2.075 1.00 0.00 O ATOM 1294 CB LYS A 83 7.720 -15.311 3.675 1.00 0.00 C ATOM 1295 CG LYS A 83 8.490 -16.333 4.495 1.00 0.00 C ATOM 1296 CD LYS A 83 8.105 -17.756 4.134 1.00 0.00 C ATOM 1297 CE LYS A 83 8.802 -18.764 5.032 1.00 0.00 C ATOM 1298 NZ LYS A 83 10.285 -18.665 4.947 1.00 0.00 N ATOM 0 H LYS A 83 6.836 -13.817 5.826 1.00 0.00 H new ATOM 0 HA LYS A 83 9.032 -13.607 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.653 -15.509 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.972 -15.438 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.559 -16.195 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.301 -16.164 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.025 -17.875 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.365 -17.952 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.488 -18.606 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.491 -19.771 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.716 -19.474 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.577 -18.672 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.600 -17.780 5.394 1.00 0.00 H new ATOM 1312 N VAL A 84 6.415 -12.023 4.000 1.00 0.00 N ATOM 1313 CA VAL A 84 5.516 -11.073 3.358 1.00 0.00 C ATOM 1314 C VAL A 84 6.292 -10.201 2.383 1.00 0.00 C ATOM 1315 O VAL A 84 7.120 -9.395 2.797 1.00 0.00 O ATOM 1316 CB VAL A 84 4.806 -10.169 4.388 1.00 0.00 C ATOM 1317 CG1 VAL A 84 3.835 -9.227 3.692 1.00 0.00 C ATOM 1318 CG2 VAL A 84 4.088 -11.004 5.437 1.00 0.00 C ATOM 0 H VAL A 84 6.479 -11.925 5.013 1.00 0.00 H new ATOM 0 HA VAL A 84 4.758 -11.649 2.827 1.00 0.00 H new ATOM 0 HB VAL A 84 5.562 -9.569 4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.344 -8.597 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.380 -8.599 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.085 -9.809 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.595 -10.345 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.343 -11.635 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.810 -11.631 5.960 1.00 0.00 H new ATOM 1328 N THR A 85 6.021 -10.373 1.097 1.00 0.00 N ATOM 1329 CA THR A 85 6.772 -9.696 0.049 1.00 0.00 C ATOM 1330 C THR A 85 6.762 -8.175 0.235 1.00 0.00 C ATOM 1331 O THR A 85 7.816 -7.544 0.274 1.00 0.00 O ATOM 1332 CB THR A 85 6.211 -10.056 -1.341 1.00 0.00 C ATOM 1333 OG1 THR A 85 6.096 -11.483 -1.460 1.00 0.00 O ATOM 1334 CG2 THR A 85 7.110 -9.524 -2.452 1.00 0.00 C ATOM 0 H THR A 85 5.279 -10.982 0.752 1.00 0.00 H new ATOM 0 HA THR A 85 7.804 -10.039 0.120 1.00 0.00 H new ATOM 0 HB THR A 85 5.229 -9.594 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 85 5.738 -11.710 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.689 -9.793 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.180 -8.439 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.105 -9.959 -2.355 1.00 0.00 H new ATOM 1342 N ALA A 86 5.574 -7.599 0.384 1.00 0.00 N ATOM 1343 CA ALA A 86 5.432 -6.148 0.511 1.00 0.00 C ATOM 1344 C ALA A 86 6.061 -5.627 1.804 1.00 0.00 C ATOM 1345 O ALA A 86 6.531 -4.491 1.865 1.00 0.00 O ATOM 1346 CB ALA A 86 3.962 -5.758 0.450 1.00 0.00 C ATOM 0 H ALA A 86 4.693 -8.113 0.420 1.00 0.00 H new ATOM 0 HA ALA A 86 5.963 -5.690 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.868 -4.676 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.540 -6.076 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.423 -6.242 1.264 1.00 0.00 H new ATOM 1352 N LEU A 87 6.106 -6.475 2.823 1.00 0.00 N ATOM 1353 CA LEU A 87 6.545 -6.045 4.145 1.00 0.00 C ATOM 1354 C LEU A 87 8.047 -6.231 4.274 1.00 0.00 C ATOM 1355 O LEU A 87 8.740 -5.382 4.830 1.00 0.00 O ATOM 1356 CB LEU A 87 5.794 -6.826 5.239 1.00 0.00 C ATOM 1357 CG LEU A 87 5.805 -6.222 6.653 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.147 -6.432 7.336 1.00 0.00 C ATOM 1359 CD2 LEU A 87 5.454 -4.743 6.600 1.00 0.00 C ATOM 0 H LEU A 87 5.846 -7.459 2.761 1.00 0.00 H new ATOM 0 HA LEU A 87 6.316 -4.987 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.756 -6.937 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.220 -7.828 5.294 1.00 0.00 H new ATOM 0 HG LEU A 87 5.050 -6.739 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.120 -5.993 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.352 -7.500 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.932 -5.954 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.466 -4.330 7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.184 -4.218 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.460 -4.620 6.169 1.00 0.00 H new ATOM 1371 N LYS A 88 8.543 -7.342 3.747 1.00 0.00 N ATOM 1372 CA LYS A 88 9.972 -7.622 3.751 1.00 0.00 C ATOM 1373 C LYS A 88 10.720 -6.558 2.959 1.00 0.00 C ATOM 1374 O LYS A 88 11.839 -6.181 3.310 1.00 0.00 O ATOM 1375 CB LYS A 88 10.247 -9.029 3.193 1.00 0.00 C ATOM 1376 CG LYS A 88 11.725 -9.339 3.011 1.00 0.00 C ATOM 1377 CD LYS A 88 11.979 -10.814 2.744 1.00 0.00 C ATOM 1378 CE LYS A 88 11.954 -11.612 4.034 1.00 0.00 C ATOM 1379 NZ LYS A 88 12.349 -13.030 3.822 1.00 0.00 N ATOM 0 H LYS A 88 7.974 -8.067 3.310 1.00 0.00 H new ATOM 0 HA LYS A 88 10.333 -7.595 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.810 -9.768 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.742 -9.134 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.118 -8.750 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.270 -9.035 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.223 -11.199 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.945 -10.938 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.628 -11.153 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.953 -11.575 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.318 -13.538 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.691 -13.477 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.314 -13.068 3.437 1.00 0.00 H new ATOM 1393 N LYS A 89 10.086 -6.050 1.907 1.00 0.00 N ATOM 1394 CA LYS A 89 10.677 -4.969 1.125 1.00 0.00 C ATOM 1395 C LYS A 89 10.670 -3.674 1.924 1.00 0.00 C ATOM 1396 O LYS A 89 11.690 -2.996 2.025 1.00 0.00 O ATOM 1397 CB LYS A 89 9.926 -4.770 -0.196 1.00 0.00 C ATOM 1398 CG LYS A 89 9.987 -5.969 -1.129 1.00 0.00 C ATOM 1399 CD LYS A 89 9.231 -5.704 -2.422 1.00 0.00 C ATOM 1400 CE LYS A 89 9.947 -4.689 -3.299 1.00 0.00 C ATOM 1401 NZ LYS A 89 11.189 -5.250 -3.887 1.00 0.00 N ATOM 0 H LYS A 89 9.173 -6.365 1.579 1.00 0.00 H new ATOM 0 HA LYS A 89 11.707 -5.244 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.882 -4.545 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.339 -3.902 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.027 -6.204 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.565 -6.842 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.112 -6.638 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.230 -5.341 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.281 -4.364 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.191 -3.806 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.549 -4.604 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.906 -5.363 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.984 -6.176 -4.313 1.00 0.00 H new ATOM 1415 N TYR A 90 9.519 -3.349 2.502 1.00 0.00 N ATOM 1416 CA TYR A 90 9.375 -2.136 3.291 1.00 0.00 C ATOM 1417 C TYR A 90 10.343 -2.144 4.471 1.00 0.00 C ATOM 1418 O TYR A 90 11.106 -1.204 4.660 1.00 0.00 O ATOM 1419 CB TYR A 90 7.932 -2.007 3.787 1.00 0.00 C ATOM 1420 CG TYR A 90 7.575 -0.636 4.325 1.00 0.00 C ATOM 1421 CD1 TYR A 90 8.059 0.518 3.721 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.736 -0.496 5.424 1.00 0.00 C ATOM 1423 CE1 TYR A 90 7.722 1.769 4.200 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.391 0.754 5.905 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.888 1.882 5.288 1.00 0.00 C ATOM 1426 OH TYR A 90 6.541 3.131 5.758 1.00 0.00 O ATOM 0 H TYR A 90 8.671 -3.912 2.437 1.00 0.00 H new ATOM 0 HA TYR A 90 9.612 -1.278 2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.256 -2.250 2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.762 -2.746 4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.709 0.435 2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.347 -1.378 5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.112 2.655 3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.736 0.846 6.759 1.00 0.00 H new ATOM 0 HH TYR A 90 5.945 3.036 6.530 1.00 0.00 H new ATOM 1436 N ARG A 91 10.327 -3.231 5.233 1.00 0.00 N ATOM 1437 CA ARG A 91 11.180 -3.370 6.410 1.00 0.00 C ATOM 1438 C ARG A 91 12.656 -3.215 6.053 1.00 0.00 C ATOM 1439 O ARG A 91 13.380 -2.453 6.694 1.00 0.00 O ATOM 1440 CB ARG A 91 10.944 -4.727 7.074 1.00 0.00 C ATOM 1441 CG ARG A 91 11.948 -5.055 8.166 1.00 0.00 C ATOM 1442 CD ARG A 91 11.667 -6.408 8.798 1.00 0.00 C ATOM 1443 NE ARG A 91 12.740 -6.820 9.700 1.00 0.00 N ATOM 1444 CZ ARG A 91 12.612 -6.912 11.023 1.00 0.00 C ATOM 1445 NH1 ARG A 91 11.454 -6.634 11.605 1.00 0.00 N ATOM 1446 NH2 ARG A 91 13.644 -7.291 11.770 1.00 0.00 N ATOM 0 H ARG A 91 9.727 -4.037 5.055 1.00 0.00 H new ATOM 0 HA ARG A 91 10.917 -2.575 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.940 -4.744 7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.981 -5.506 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.955 -5.050 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.917 -4.281 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.727 -6.364 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.543 -7.156 8.015 1.00 0.00 H new ATOM 0 HE ARG A 91 13.645 -7.052 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.655 -6.348 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.362 -6.706 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.538 -7.512 11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.542 -7.360 12.783 1.00 0.00 H new ATOM 1460 N GLN A 92 13.089 -3.927 5.020 1.00 0.00 N ATOM 1461 CA GLN A 92 14.484 -3.897 4.603 1.00 0.00 C ATOM 1462 C GLN A 92 14.871 -2.505 4.102 1.00 0.00 C ATOM 1463 O GLN A 92 15.987 -2.037 4.334 1.00 0.00 O ATOM 1464 CB GLN A 92 14.729 -4.950 3.516 1.00 0.00 C ATOM 1465 CG GLN A 92 16.110 -4.877 2.885 1.00 0.00 C ATOM 1466 CD GLN A 92 16.350 -5.975 1.868 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.063 -5.777 0.881 1.00 0.00 O ATOM 1468 NE2 GLN A 92 15.773 -7.143 2.104 1.00 0.00 N ATOM 0 H GLN A 92 12.493 -4.533 4.456 1.00 0.00 H new ATOM 0 HA GLN A 92 15.110 -4.130 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.590 -5.941 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.977 -4.833 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.233 -3.908 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.866 -4.941 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.190 -7.266 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.911 -7.920 1.458 1.00 0.00 H new ATOM 1477 N LEU A 93 13.935 -1.839 3.439 1.00 0.00 N ATOM 1478 CA LEU A 93 14.179 -0.509 2.889 1.00 0.00 C ATOM 1479 C LEU A 93 14.090 0.567 3.980 1.00 0.00 C ATOM 1480 O LEU A 93 14.489 1.718 3.775 1.00 0.00 O ATOM 1481 CB LEU A 93 13.178 -0.229 1.761 1.00 0.00 C ATOM 1482 CG LEU A 93 13.318 1.133 1.075 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.650 1.226 0.345 1.00 0.00 C ATOM 1484 CD2 LEU A 93 12.164 1.362 0.112 1.00 0.00 C ATOM 0 H LEU A 93 12.996 -2.198 3.268 1.00 0.00 H new ATOM 0 HA LEU A 93 15.190 -0.477 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.281 -1.008 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.169 -0.310 2.166 1.00 0.00 H new ATOM 0 HG LEU A 93 13.289 1.911 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.733 2.200 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.465 1.103 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.707 0.442 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.278 2.334 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.164 0.580 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.222 1.336 0.660 1.00 0.00 H new