USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -4.55! C(o=-4.5!,f=-6.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -121:sc=-0.00169 (180deg=-2!) USER MOD Single : A 43 MET CE :methyl -128:sc= -0.294 (180deg=-1.05) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -0.407 (180deg=-0.426) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.489 -17.380 15.665 1.00 0.00 N ATOM 177 CA VAL A 15 -0.506 -15.934 15.854 1.00 0.00 C ATOM 178 C VAL A 15 0.040 -15.212 14.628 1.00 0.00 C ATOM 179 O VAL A 15 1.027 -15.628 14.020 1.00 0.00 O ATOM 180 CB VAL A 15 0.316 -15.520 17.089 1.00 0.00 C ATOM 181 CG1 VAL A 15 1.725 -16.088 17.007 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.349 -14.005 17.222 1.00 0.00 C ATOM 0 HA VAL A 15 -1.547 -15.647 16.006 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.163 -15.929 17.978 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.291 -15.785 17.888 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.677 -17.176 16.963 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.218 -15.710 16.111 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.934 -13.729 18.100 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.804 -13.571 16.332 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.668 -13.627 17.330 1.00 0.00 H new ATOM 192 N PRO A 16 -0.616 -14.105 14.252 1.00 0.00 N ATOM 193 CA PRO A 16 -0.213 -13.300 13.095 1.00 0.00 C ATOM 194 C PRO A 16 1.099 -12.561 13.331 1.00 0.00 C ATOM 195 O PRO A 16 1.710 -12.683 14.393 1.00 0.00 O ATOM 196 CB PRO A 16 -1.366 -12.305 12.937 1.00 0.00 C ATOM 197 CG PRO A 16 -1.963 -12.196 14.297 1.00 0.00 C ATOM 198 CD PRO A 16 -1.801 -13.552 14.930 1.00 0.00 C ATOM 0 HA PRO A 16 -0.038 -13.915 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.008 -11.338 12.583 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.098 -12.659 12.211 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.459 -11.428 14.884 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.015 -11.915 14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.650 -13.477 16.007 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.681 -14.176 14.774 1.00 0.00 H new ATOM 206 N VAL A 17 1.528 -11.793 12.334 1.00 0.00 N ATOM 207 CA VAL A 17 2.768 -11.032 12.434 1.00 0.00 C ATOM 208 C VAL A 17 2.663 -9.709 11.687 1.00 0.00 C ATOM 209 O VAL A 17 1.779 -9.524 10.850 1.00 0.00 O ATOM 210 CB VAL A 17 3.962 -11.830 11.878 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.423 -12.875 12.883 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.597 -12.479 10.551 1.00 0.00 C ATOM 0 H VAL A 17 1.035 -11.681 11.448 1.00 0.00 H new ATOM 0 HA VAL A 17 2.934 -10.835 13.493 1.00 0.00 H new ATOM 0 HB VAL A 17 4.788 -11.140 11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.267 -13.428 12.471 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.727 -12.382 13.806 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.605 -13.564 13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.452 -13.039 10.172 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.755 -13.156 10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.321 -11.707 9.832 1.00 0.00 H new ATOM 222 N THR A 18 3.572 -8.787 11.993 1.00 0.00 N ATOM 223 CA THR A 18 3.581 -7.480 11.351 1.00 0.00 C ATOM 224 C THR A 18 4.659 -7.403 10.275 1.00 0.00 C ATOM 225 O THR A 18 5.767 -7.909 10.457 1.00 0.00 O ATOM 226 CB THR A 18 3.812 -6.353 12.374 1.00 0.00 C ATOM 227 OG1 THR A 18 2.814 -6.408 13.399 1.00 0.00 O ATOM 228 CG2 THR A 18 3.777 -4.991 11.698 1.00 0.00 C ATOM 0 H THR A 18 4.311 -8.923 12.682 1.00 0.00 H new ATOM 0 HA THR A 18 2.602 -7.348 10.891 1.00 0.00 H new ATOM 0 HB THR A 18 4.797 -6.495 12.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.970 -5.689 14.046 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.943 -4.211 12.442 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.558 -4.941 10.940 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.805 -4.843 11.228 1.00 0.00 H new ATOM 236 N ILE A 19 4.328 -6.767 9.156 1.00 0.00 N ATOM 237 CA ILE A 19 5.269 -6.623 8.053 1.00 0.00 C ATOM 238 C ILE A 19 5.507 -5.155 7.722 1.00 0.00 C ATOM 239 O ILE A 19 4.957 -4.265 8.370 1.00 0.00 O ATOM 240 CB ILE A 19 4.769 -7.348 6.788 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.440 -6.750 6.324 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.621 -8.838 7.056 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.070 -7.127 4.906 1.00 0.00 C ATOM 0 H ILE A 19 3.415 -6.343 8.990 1.00 0.00 H new ATOM 0 HA ILE A 19 6.206 -7.077 8.376 1.00 0.00 H new ATOM 0 HB ILE A 19 5.504 -7.213 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.648 -7.079 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.493 -5.664 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.267 -9.337 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.586 -9.253 7.345 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.903 -8.993 7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.117 -6.668 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.842 -6.774 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.984 -8.211 4.828 1.00 0.00 H new ATOM 255 N GLU A 20 6.332 -4.907 6.708 1.00 0.00 N ATOM 256 CA GLU A 20 6.642 -3.546 6.291 1.00 0.00 C ATOM 257 C GLU A 20 6.426 -3.373 4.790 1.00 0.00 C ATOM 258 O GLU A 20 6.912 -4.169 3.986 1.00 0.00 O ATOM 259 CB GLU A 20 8.087 -3.194 6.654 1.00 0.00 C ATOM 260 CG GLU A 20 8.259 -2.737 8.092 1.00 0.00 C ATOM 261 CD GLU A 20 9.673 -2.278 8.392 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.189 -1.418 7.647 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.264 -2.777 9.373 1.00 0.00 O ATOM 0 H GLU A 20 6.797 -5.632 6.161 1.00 0.00 H new ATOM 0 HA GLU A 20 5.968 -2.870 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.719 -4.065 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.439 -2.407 5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.565 -1.921 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.996 -3.555 8.763 1.00 0.00 H new ATOM 270 N VAL A 21 5.693 -2.328 4.420 1.00 0.00 N ATOM 271 CA VAL A 21 5.413 -2.050 3.016 1.00 0.00 C ATOM 272 C VAL A 21 5.829 -0.631 2.643 1.00 0.00 C ATOM 273 O VAL A 21 5.390 0.337 3.262 1.00 0.00 O ATOM 274 CB VAL A 21 3.918 -2.235 2.695 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.700 -2.313 1.192 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.375 -3.477 3.386 1.00 0.00 C ATOM 0 H VAL A 21 5.282 -1.660 5.072 1.00 0.00 H new ATOM 0 HA VAL A 21 5.994 -2.762 2.430 1.00 0.00 H new ATOM 0 HB VAL A 21 3.373 -1.369 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.638 -2.444 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.050 -1.392 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.255 -3.159 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.317 -3.593 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.922 -4.354 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.496 -3.375 4.465 1.00 0.00 H new ATOM 286 N GLU A 22 6.678 -0.518 1.627 1.00 0.00 N ATOM 287 CA GLU A 22 7.154 0.782 1.172 1.00 0.00 C ATOM 288 C GLU A 22 6.023 1.582 0.532 1.00 0.00 C ATOM 289 O GLU A 22 5.505 1.212 -0.522 1.00 0.00 O ATOM 290 CB GLU A 22 8.301 0.610 0.173 1.00 0.00 C ATOM 291 CG GLU A 22 9.624 0.242 0.822 1.00 0.00 C ATOM 292 CD GLU A 22 10.591 -0.405 -0.151 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.200 -1.393 -0.806 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.738 0.077 -0.256 1.00 0.00 O ATOM 0 H GLU A 22 7.050 -1.311 1.104 1.00 0.00 H new ATOM 0 HA GLU A 22 7.518 1.331 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.032 -0.163 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.426 1.537 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.081 1.139 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.440 -0.439 1.653 1.00 0.00 H new ATOM 301 N VAL A 23 5.645 2.682 1.176 1.00 0.00 N ATOM 302 CA VAL A 23 4.576 3.535 0.671 1.00 0.00 C ATOM 303 C VAL A 23 4.778 4.983 1.102 1.00 0.00 C ATOM 304 O VAL A 23 4.999 5.283 2.276 1.00 0.00 O ATOM 305 CB VAL A 23 3.196 3.054 1.158 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.130 4.096 0.856 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.843 1.718 0.524 1.00 0.00 C ATOM 0 H VAL A 23 6.064 3.003 2.049 1.00 0.00 H new ATOM 0 HA VAL A 23 4.611 3.474 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 23 3.239 2.916 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.162 3.739 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.378 5.028 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.085 4.269 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.865 1.394 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.818 1.825 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.593 0.976 0.798 1.00 0.00 H new ATOM 317 N PRO A 24 4.702 5.905 0.131 1.00 0.00 N ATOM 318 CA PRO A 24 4.873 7.339 0.385 1.00 0.00 C ATOM 319 C PRO A 24 3.710 7.930 1.173 1.00 0.00 C ATOM 320 O PRO A 24 2.546 7.671 0.869 1.00 0.00 O ATOM 321 CB PRO A 24 4.931 7.944 -1.020 1.00 0.00 C ATOM 322 CG PRO A 24 4.188 6.980 -1.878 1.00 0.00 C ATOM 323 CD PRO A 24 4.443 5.620 -1.290 1.00 0.00 C ATOM 0 HA PRO A 24 5.758 7.544 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.471 8.932 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.961 8.063 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.122 7.207 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.534 7.030 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.585 4.960 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.294 5.131 -1.763 1.00 0.00 H new ATOM 331 N PHE A 25 4.032 8.727 2.187 1.00 0.00 N ATOM 332 CA PHE A 25 3.014 9.356 3.020 1.00 0.00 C ATOM 333 C PHE A 25 2.062 10.196 2.172 1.00 0.00 C ATOM 334 O PHE A 25 0.918 10.437 2.560 1.00 0.00 O ATOM 335 CB PHE A 25 3.668 10.231 4.090 1.00 0.00 C ATOM 336 CG PHE A 25 2.726 10.644 5.186 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.853 11.704 5.002 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.714 9.972 6.397 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.985 12.086 6.007 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.847 10.350 7.405 1.00 0.00 C ATOM 341 CZ PHE A 25 0.983 11.409 7.211 1.00 0.00 C ATOM 0 H PHE A 25 4.991 8.952 2.452 1.00 0.00 H new ATOM 0 HA PHE A 25 2.441 8.567 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.507 9.690 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.077 11.124 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.851 12.237 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.389 9.144 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.309 12.913 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.846 9.817 8.344 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.307 11.707 7.999 1.00 0.00 H new ATOM 351 N ASP A 26 2.542 10.638 1.016 1.00 0.00 N ATOM 352 CA ASP A 26 1.735 11.450 0.113 1.00 0.00 C ATOM 353 C ASP A 26 0.552 10.651 -0.426 1.00 0.00 C ATOM 354 O ASP A 26 -0.342 11.203 -1.068 1.00 0.00 O ATOM 355 CB ASP A 26 2.590 11.964 -1.046 1.00 0.00 C ATOM 356 CG ASP A 26 3.275 13.277 -0.723 1.00 0.00 C ATOM 357 OD1 ASP A 26 2.628 14.148 -0.104 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.459 13.433 -1.086 1.00 0.00 O ATOM 0 H ASP A 26 3.487 10.448 0.681 1.00 0.00 H new ATOM 0 HA ASP A 26 1.350 12.301 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.343 11.217 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.962 12.093 -1.928 1.00 0.00 H new ATOM 363 N LEU A 27 0.555 9.350 -0.162 1.00 0.00 N ATOM 364 CA LEU A 27 -0.518 8.474 -0.622 1.00 0.00 C ATOM 365 C LEU A 27 -1.444 8.097 0.530 1.00 0.00 C ATOM 366 O LEU A 27 -2.643 7.895 0.336 1.00 0.00 O ATOM 367 CB LEU A 27 0.066 7.210 -1.256 1.00 0.00 C ATOM 368 CG LEU A 27 0.662 7.375 -2.654 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.232 6.055 -3.151 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.386 7.902 -3.622 1.00 0.00 C ATOM 0 H LEU A 27 1.287 8.878 0.368 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.099 9.013 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.841 6.821 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.719 6.456 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 27 1.474 8.100 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.652 6.192 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.014 5.717 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.439 5.308 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.056 8.013 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.219 7.201 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.747 8.870 -3.275 1.00 0.00 H new ATOM 382 N HIS A 28 -0.881 8.006 1.731 1.00 0.00 N ATOM 383 CA HIS A 28 -1.657 7.657 2.915 1.00 0.00 C ATOM 384 C HIS A 28 -3.024 8.334 2.888 1.00 0.00 C ATOM 385 O HIS A 28 -4.057 7.667 2.832 1.00 0.00 O ATOM 386 CB HIS A 28 -0.902 8.057 4.182 1.00 0.00 C ATOM 387 CG HIS A 28 0.330 7.240 4.430 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.102 7.367 5.565 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.919 6.279 3.681 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.114 6.521 5.502 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.027 5.848 4.369 1.00 0.00 N ATOM 0 H HIS A 28 0.110 8.169 1.909 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.806 6.577 2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.623 9.108 4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.570 7.961 5.038 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.920 8.013 6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.581 5.918 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.883 6.400 6.251 1.00 0.00 H new ATOM 399 N ARG A 29 -3.021 9.663 2.929 1.00 0.00 N ATOM 400 CA ARG A 29 -4.261 10.430 2.911 1.00 0.00 C ATOM 401 C ARG A 29 -5.271 9.808 1.952 1.00 0.00 C ATOM 402 O ARG A 29 -6.471 9.779 2.230 1.00 0.00 O ATOM 403 CB ARG A 29 -3.983 11.878 2.507 1.00 0.00 C ATOM 404 CG ARG A 29 -3.576 12.038 1.052 1.00 0.00 C ATOM 405 CD ARG A 29 -2.737 13.289 0.843 1.00 0.00 C ATOM 406 NE ARG A 29 -3.561 14.454 0.530 1.00 0.00 N ATOM 407 CZ ARG A 29 -3.074 15.681 0.387 1.00 0.00 C ATOM 408 NH1 ARG A 29 -1.775 15.904 0.529 1.00 0.00 N ATOM 409 NH2 ARG A 29 -3.888 16.691 0.103 1.00 0.00 N ATOM 0 H ARG A 29 -2.174 10.230 2.975 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.683 10.415 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.875 12.476 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.193 12.278 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.011 11.162 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.468 12.088 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.153 13.489 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.027 13.119 0.033 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.565 14.317 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.146 15.132 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.404 16.848 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.888 16.525 -0.006 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.513 17.633 -0.007 1.00 0.00 H new ATOM 423 N TYR A 30 -4.780 9.313 0.822 1.00 0.00 N ATOM 424 CA TYR A 30 -5.639 8.694 -0.180 1.00 0.00 C ATOM 425 C TYR A 30 -5.986 7.261 0.209 1.00 0.00 C ATOM 426 O TYR A 30 -7.131 6.828 0.077 1.00 0.00 O ATOM 427 CB TYR A 30 -4.957 8.712 -1.549 1.00 0.00 C ATOM 428 CG TYR A 30 -4.739 10.103 -2.099 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.774 11.030 -2.131 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.497 10.492 -2.586 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.579 12.301 -2.633 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.292 11.762 -3.090 1.00 0.00 C ATOM 433 CZ TYR A 30 -4.337 12.663 -3.111 1.00 0.00 C ATOM 434 OH TYR A 30 -4.139 13.930 -3.611 1.00 0.00 O ATOM 0 H TYR A 30 -3.790 9.328 0.577 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.563 9.270 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.995 8.206 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.562 8.142 -2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.748 10.751 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.677 9.789 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.395 13.008 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.320 12.048 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.209 14.024 -3.905 1.00 0.00 H new ATOM 444 N VAL A 31 -4.987 6.527 0.691 1.00 0.00 N ATOM 445 CA VAL A 31 -5.185 5.142 1.102 1.00 0.00 C ATOM 446 C VAL A 31 -6.204 5.044 2.232 1.00 0.00 C ATOM 447 O VAL A 31 -7.233 4.381 2.097 1.00 0.00 O ATOM 448 CB VAL A 31 -3.863 4.499 1.562 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.083 3.045 1.950 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.807 4.616 0.473 1.00 0.00 C ATOM 0 H VAL A 31 -4.033 6.869 0.806 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.559 4.604 0.231 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.505 5.034 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.138 2.607 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.805 2.991 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.464 2.493 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.879 4.157 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.154 4.107 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.630 5.668 0.249 1.00 0.00 H new ATOM 460 N ILE A 32 -5.913 5.711 3.344 1.00 0.00 N ATOM 461 CA ILE A 32 -6.806 5.700 4.496 1.00 0.00 C ATOM 462 C ILE A 32 -8.134 6.374 4.168 1.00 0.00 C ATOM 463 O ILE A 32 -9.202 5.821 4.429 1.00 0.00 O ATOM 464 CB ILE A 32 -6.170 6.407 5.707 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.786 5.824 5.998 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.071 6.281 6.927 1.00 0.00 C ATOM 467 CD1 ILE A 32 -3.846 6.800 6.668 1.00 0.00 C ATOM 0 H ILE A 32 -5.066 6.265 3.471 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.984 4.655 4.748 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.055 7.465 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.897 4.946 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.339 5.486 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.608 6.786 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.037 6.740 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.214 5.227 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.885 6.317 6.843 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.704 7.668 6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.271 7.119 7.620 1.00 0.00 H new ATOM 550 N ILE A 39 -9.398 1.691 3.614 1.00 0.00 N ATOM 551 CA ILE A 39 -8.520 0.597 4.009 1.00 0.00 C ATOM 552 C ILE A 39 -9.321 -0.583 4.549 1.00 0.00 C ATOM 553 O ILE A 39 -9.004 -1.740 4.271 1.00 0.00 O ATOM 554 CB ILE A 39 -7.506 1.046 5.077 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.485 2.010 4.469 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.806 -0.161 5.685 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.540 2.611 5.486 1.00 0.00 C ATOM 0 HA ILE A 39 -7.980 0.288 3.114 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.043 1.567 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.904 1.482 3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.016 2.814 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.092 0.173 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.545 -0.814 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.279 -0.708 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.845 3.284 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.111 3.168 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.982 1.815 5.979 1.00 0.00 H new ATOM 569 N ARG A 40 -10.361 -0.283 5.320 1.00 0.00 N ATOM 570 CA ARG A 40 -11.207 -1.319 5.899 1.00 0.00 C ATOM 571 C ARG A 40 -11.407 -2.470 4.917 1.00 0.00 C ATOM 572 O ARG A 40 -11.096 -3.622 5.222 1.00 0.00 O ATOM 573 CB ARG A 40 -12.564 -0.735 6.298 1.00 0.00 C ATOM 574 CG ARG A 40 -13.280 -1.536 7.372 1.00 0.00 C ATOM 575 CD ARG A 40 -12.774 -1.182 8.762 1.00 0.00 C ATOM 576 NE ARG A 40 -13.426 -1.974 9.800 1.00 0.00 N ATOM 577 CZ ARG A 40 -13.324 -1.712 11.099 1.00 0.00 C ATOM 578 NH1 ARG A 40 -12.598 -0.684 11.516 1.00 0.00 N ATOM 579 NH2 ARG A 40 -13.948 -2.479 11.983 1.00 0.00 N ATOM 0 H ARG A 40 -10.638 0.669 5.558 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.708 -1.705 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.420 0.286 6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.200 -0.679 5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.352 -1.347 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.134 -2.601 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.697 -1.342 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.947 -0.123 8.952 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.991 -2.773 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.116 -0.092 10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.521 -0.485 12.513 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.507 -3.271 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.869 -2.277 12.980 1.00 0.00 H new ATOM 593 N LYS A 41 -11.926 -2.150 3.736 1.00 0.00 N ATOM 594 CA LYS A 41 -12.167 -3.155 2.708 1.00 0.00 C ATOM 595 C LYS A 41 -11.083 -4.229 2.732 1.00 0.00 C ATOM 596 O LYS A 41 -11.378 -5.423 2.723 1.00 0.00 O ATOM 597 CB LYS A 41 -12.219 -2.499 1.327 1.00 0.00 C ATOM 598 CG LYS A 41 -12.164 -3.493 0.179 1.00 0.00 C ATOM 599 CD LYS A 41 -12.656 -2.875 -1.118 1.00 0.00 C ATOM 600 CE LYS A 41 -13.251 -3.924 -2.046 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.989 -3.306 -3.182 1.00 0.00 N ATOM 0 H LYS A 41 -12.188 -1.201 3.467 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.127 -3.628 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.135 -1.914 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.386 -1.802 1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.140 -3.845 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.772 -4.364 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.406 -2.115 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.829 -2.372 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.455 -4.560 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.926 -4.567 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.379 -4.054 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.765 -2.720 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.339 -2.712 -3.736 1.00 0.00 H new ATOM 615 N MET A 42 -9.827 -3.793 2.765 1.00 0.00 N ATOM 616 CA MET A 42 -8.700 -4.718 2.793 1.00 0.00 C ATOM 617 C MET A 42 -8.652 -5.476 4.116 1.00 0.00 C ATOM 618 O MET A 42 -8.642 -6.706 4.136 1.00 0.00 O ATOM 619 CB MET A 42 -7.387 -3.961 2.577 1.00 0.00 C ATOM 620 CG MET A 42 -7.312 -3.243 1.240 1.00 0.00 C ATOM 621 SD MET A 42 -5.960 -2.053 1.165 1.00 0.00 S ATOM 622 CE MET A 42 -4.554 -3.149 0.991 1.00 0.00 C ATOM 0 H MET A 42 -9.565 -2.807 2.773 1.00 0.00 H new ATOM 0 HA MET A 42 -8.833 -5.439 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.261 -3.233 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.556 -4.663 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.189 -3.977 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.255 -2.728 1.055 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.864 -2.990 1.819 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.896 -4.184 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.045 -2.941 0.050 1.00 0.00 H new ATOM 632 N MET A 43 -8.620 -4.734 5.219 1.00 0.00 N ATOM 633 CA MET A 43 -8.574 -5.338 6.545 1.00 0.00 C ATOM 634 C MET A 43 -9.627 -6.433 6.681 1.00 0.00 C ATOM 635 O MET A 43 -9.413 -7.430 7.371 1.00 0.00 O ATOM 636 CB MET A 43 -8.787 -4.272 7.621 1.00 0.00 C ATOM 637 CG MET A 43 -7.595 -3.348 7.807 1.00 0.00 C ATOM 638 SD MET A 43 -7.608 -2.510 9.404 1.00 0.00 S ATOM 639 CE MET A 43 -8.726 -1.151 9.064 1.00 0.00 C ATOM 0 H MET A 43 -8.625 -3.714 5.220 1.00 0.00 H new ATOM 0 HA MET A 43 -7.590 -5.787 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.661 -3.675 7.361 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.006 -4.763 8.569 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.675 -3.925 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.589 -2.604 7.011 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.255 -0.212 9.354 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.957 -1.128 7.999 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.646 -1.286 9.632 1.00 0.00 H new ATOM 649 N ASP A 44 -10.763 -6.241 6.019 1.00 0.00 N ATOM 650 CA ASP A 44 -11.848 -7.213 6.066 1.00 0.00 C ATOM 651 C ASP A 44 -11.610 -8.342 5.069 1.00 0.00 C ATOM 652 O ASP A 44 -11.719 -9.519 5.412 1.00 0.00 O ATOM 653 CB ASP A 44 -13.186 -6.531 5.772 1.00 0.00 C ATOM 654 CG ASP A 44 -13.857 -6.010 7.027 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.791 -6.701 8.067 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.450 -4.912 6.971 1.00 0.00 O ATOM 0 H ASP A 44 -10.956 -5.421 5.444 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.878 -7.638 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.025 -5.705 5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.850 -7.238 5.275 1.00 0.00 H new ATOM 661 N GLU A 45 -11.285 -7.975 3.833 1.00 0.00 N ATOM 662 CA GLU A 45 -11.033 -8.958 2.787 1.00 0.00 C ATOM 663 C GLU A 45 -9.865 -9.866 3.161 1.00 0.00 C ATOM 664 O GLU A 45 -10.017 -11.084 3.259 1.00 0.00 O ATOM 665 CB GLU A 45 -10.743 -8.258 1.457 1.00 0.00 C ATOM 666 CG GLU A 45 -10.569 -9.216 0.290 1.00 0.00 C ATOM 667 CD GLU A 45 -11.889 -9.590 -0.358 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.925 -9.540 0.336 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.883 -9.934 -1.559 1.00 0.00 O ATOM 0 H GLU A 45 -11.190 -7.005 3.532 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.927 -9.572 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.558 -7.570 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.839 -7.658 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.918 -8.760 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.070 -10.120 0.638 1.00 0.00 H new ATOM 676 N PHE A 46 -8.700 -9.263 3.370 1.00 0.00 N ATOM 677 CA PHE A 46 -7.504 -10.016 3.733 1.00 0.00 C ATOM 678 C PHE A 46 -7.490 -10.329 5.227 1.00 0.00 C ATOM 679 O PHE A 46 -6.491 -10.806 5.762 1.00 0.00 O ATOM 680 CB PHE A 46 -6.246 -9.231 3.355 1.00 0.00 C ATOM 681 CG PHE A 46 -6.137 -8.948 1.883 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.941 -9.978 0.978 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.232 -7.650 1.405 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.840 -9.720 -0.376 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.132 -7.387 0.052 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.935 -8.423 -0.840 1.00 0.00 C ATOM 0 H PHE A 46 -8.558 -8.256 3.295 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.517 -10.956 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.239 -8.287 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.368 -9.791 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.866 -10.995 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.386 -6.836 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.687 -10.532 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.208 -6.372 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.855 -8.219 -1.898 1.00 0.00 H new ATOM 696 N GLU A 47 -8.609 -10.056 5.892 1.00 0.00 N ATOM 697 CA GLU A 47 -8.725 -10.307 7.323 1.00 0.00 C ATOM 698 C GLU A 47 -7.446 -9.905 8.052 1.00 0.00 C ATOM 699 O GLU A 47 -6.932 -10.650 8.886 1.00 0.00 O ATOM 700 CB GLU A 47 -9.028 -11.784 7.582 1.00 0.00 C ATOM 701 CG GLU A 47 -10.424 -12.204 7.150 1.00 0.00 C ATOM 702 CD GLU A 47 -10.703 -13.670 7.423 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.236 -14.519 6.637 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.389 -13.965 8.424 1.00 0.00 O ATOM 0 H GLU A 47 -9.446 -9.662 5.463 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.547 -9.702 7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.295 -12.394 7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.909 -11.990 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.161 -11.594 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.545 -12.007 6.085 1.00 0.00 H new ATOM 711 N VAL A 48 -6.938 -8.718 7.732 1.00 0.00 N ATOM 712 CA VAL A 48 -5.720 -8.214 8.355 1.00 0.00 C ATOM 713 C VAL A 48 -5.935 -6.819 8.931 1.00 0.00 C ATOM 714 O VAL A 48 -7.026 -6.260 8.840 1.00 0.00 O ATOM 715 CB VAL A 48 -4.553 -8.170 7.352 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.089 -9.578 7.010 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.958 -7.414 6.096 1.00 0.00 C ATOM 0 H VAL A 48 -7.352 -8.088 7.045 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.469 -8.902 9.162 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.720 -7.641 7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.264 -9.527 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.756 -10.082 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.914 -10.136 6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.121 -7.393 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.807 -7.913 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.237 -6.394 6.359 1.00 0.00 H new ATOM 727 N ASN A 49 -4.883 -6.262 9.525 1.00 0.00 N ATOM 728 CA ASN A 49 -4.956 -4.931 10.116 1.00 0.00 C ATOM 729 C ASN A 49 -3.802 -4.057 9.632 1.00 0.00 C ATOM 730 O ASN A 49 -2.638 -4.331 9.927 1.00 0.00 O ATOM 731 CB ASN A 49 -4.933 -5.027 11.642 1.00 0.00 C ATOM 732 CG ASN A 49 -6.024 -5.931 12.181 1.00 0.00 C ATOM 733 OD1 ASN A 49 -5.768 -7.073 12.563 1.00 0.00 O ATOM 734 ND2 ASN A 49 -7.251 -5.423 12.215 1.00 0.00 N ATOM 0 H ASN A 49 -3.971 -6.712 9.609 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.893 -4.471 9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.962 -5.402 11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.048 -4.030 12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.026 -5.985 12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.418 -4.471 11.888 1.00 0.00 H new ATOM 741 N ILE A 50 -4.134 -3.007 8.890 1.00 0.00 N ATOM 742 CA ILE A 50 -3.126 -2.092 8.368 1.00 0.00 C ATOM 743 C ILE A 50 -2.933 -0.898 9.297 1.00 0.00 C ATOM 744 O ILE A 50 -3.900 -0.261 9.715 1.00 0.00 O ATOM 745 CB ILE A 50 -3.502 -1.582 6.965 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.645 -2.755 5.993 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.460 -0.594 6.463 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.351 -2.390 4.705 1.00 0.00 C ATOM 0 H ILE A 50 -5.093 -2.768 8.636 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.194 -2.653 8.304 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.461 -1.068 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.654 -3.144 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.194 -3.558 6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.740 -0.243 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.404 0.254 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.488 -1.084 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.417 -3.269 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.355 -2.029 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.791 -1.608 4.192 1.00 0.00 H new ATOM 760 N HIS A 51 -1.677 -0.599 9.613 1.00 0.00 N ATOM 761 CA HIS A 51 -1.357 0.522 10.490 1.00 0.00 C ATOM 762 C HIS A 51 -0.475 1.539 9.773 1.00 0.00 C ATOM 763 O HIS A 51 0.577 1.192 9.233 1.00 0.00 O ATOM 764 CB HIS A 51 -0.655 0.022 11.754 1.00 0.00 C ATOM 765 CG HIS A 51 -1.598 -0.320 12.867 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.609 0.344 14.076 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.566 -1.263 12.948 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.542 -0.177 14.852 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.138 -1.153 14.192 1.00 0.00 N ATOM 0 H HIS A 51 -0.865 -1.116 9.276 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.290 1.011 10.770 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.063 -0.859 11.507 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.041 0.786 12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.838 -1.970 12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.778 0.141 15.857 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.899 -1.731 14.548 1.00 0.00 H new ATOM 777 N VAL A 52 -0.909 2.795 9.770 1.00 0.00 N ATOM 778 CA VAL A 52 -0.159 3.862 9.120 1.00 0.00 C ATOM 779 C VAL A 52 0.487 4.785 10.147 1.00 0.00 C ATOM 780 O VAL A 52 -0.112 5.140 11.162 1.00 0.00 O ATOM 781 CB VAL A 52 -1.061 4.696 8.191 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.277 5.847 7.577 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.668 3.817 7.108 1.00 0.00 C ATOM 0 H VAL A 52 -1.777 3.099 10.211 1.00 0.00 H new ATOM 0 HA VAL A 52 0.620 3.385 8.525 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.873 5.116 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.931 6.425 6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.105 6.491 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.557 5.451 6.997 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.302 4.423 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.871 3.366 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.266 3.031 7.570 1.00 0.00 H new ATOM 793 N PRO A 53 1.737 5.187 9.878 1.00 0.00 N ATOM 794 CA PRO A 53 2.492 6.076 10.766 1.00 0.00 C ATOM 795 C PRO A 53 1.934 7.496 10.776 1.00 0.00 C ATOM 796 O PRO A 53 1.507 8.012 9.744 1.00 0.00 O ATOM 797 CB PRO A 53 3.901 6.060 10.170 1.00 0.00 C ATOM 798 CG PRO A 53 3.702 5.722 8.733 1.00 0.00 C ATOM 799 CD PRO A 53 2.512 4.804 8.685 1.00 0.00 C ATOM 0 HA PRO A 53 2.450 5.747 11.804 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.390 7.027 10.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.532 5.323 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.526 6.620 8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.586 5.237 8.320 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.935 4.941 7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.811 3.756 8.719 1.00 0.00 H new ATOM 807 N ALA A 54 1.941 8.120 11.949 1.00 0.00 N ATOM 808 CA ALA A 54 1.438 9.481 12.093 1.00 0.00 C ATOM 809 C ALA A 54 2.264 10.462 11.267 1.00 0.00 C ATOM 810 O ALA A 54 3.402 10.186 10.888 1.00 0.00 O ATOM 811 CB ALA A 54 1.435 9.891 13.557 1.00 0.00 C ATOM 0 H ALA A 54 2.289 7.705 12.813 1.00 0.00 H new ATOM 0 HA ALA A 54 0.414 9.505 11.719 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.057 10.909 13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.795 9.214 14.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.451 9.844 13.950 1.00 0.00 H new ATOM 817 N PRO A 55 1.680 11.634 10.982 1.00 0.00 N ATOM 818 CA PRO A 55 2.345 12.681 10.198 1.00 0.00 C ATOM 819 C PRO A 55 3.499 13.328 10.957 1.00 0.00 C ATOM 820 O PRO A 55 4.309 14.047 10.375 1.00 0.00 O ATOM 821 CB PRO A 55 1.230 13.699 9.948 1.00 0.00 C ATOM 822 CG PRO A 55 0.273 13.497 11.071 1.00 0.00 C ATOM 823 CD PRO A 55 0.325 12.032 11.401 1.00 0.00 C ATOM 0 HA PRO A 55 2.792 12.286 9.286 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.619 14.717 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.750 13.531 8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.551 14.102 11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.735 13.797 10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.165 11.854 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.442 11.472 10.865 1.00 0.00 H new ATOM 831 N GLU A 56 3.564 13.068 12.259 1.00 0.00 N ATOM 832 CA GLU A 56 4.619 13.626 13.097 1.00 0.00 C ATOM 833 C GLU A 56 5.895 12.797 12.991 1.00 0.00 C ATOM 834 O GLU A 56 6.970 13.234 13.403 1.00 0.00 O ATOM 835 CB GLU A 56 4.161 13.693 14.556 1.00 0.00 C ATOM 836 CG GLU A 56 3.872 12.332 15.165 1.00 0.00 C ATOM 837 CD GLU A 56 4.100 12.304 16.664 1.00 0.00 C ATOM 838 OE1 GLU A 56 5.224 12.633 17.098 1.00 0.00 O ATOM 839 OE2 GLU A 56 3.155 11.955 17.402 1.00 0.00 O ATOM 0 H GLU A 56 2.899 12.475 12.756 1.00 0.00 H new ATOM 0 HA GLU A 56 4.832 14.635 12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.930 14.191 15.147 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.263 14.308 14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.839 12.055 14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.507 11.584 14.691 1.00 0.00 H new ATOM 846 N LEU A 57 5.768 11.596 12.436 1.00 0.00 N ATOM 847 CA LEU A 57 6.911 10.703 12.275 1.00 0.00 C ATOM 848 C LEU A 57 7.499 10.818 10.873 1.00 0.00 C ATOM 849 O LEU A 57 8.649 10.445 10.640 1.00 0.00 O ATOM 850 CB LEU A 57 6.495 9.257 12.549 1.00 0.00 C ATOM 851 CG LEU A 57 5.960 8.966 13.951 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.243 7.625 13.982 1.00 0.00 C ATOM 853 CD2 LEU A 57 7.091 8.992 14.969 1.00 0.00 C ATOM 0 H LEU A 57 4.886 11.218 12.090 1.00 0.00 H new ATOM 0 HA LEU A 57 7.675 10.998 12.994 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.730 8.977 11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.355 8.612 12.369 1.00 0.00 H new ATOM 0 HG LEU A 57 5.243 9.744 14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.869 7.435 14.988 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.408 7.643 13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.938 6.834 13.698 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.692 8.783 15.962 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.832 8.236 14.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.560 9.976 14.967 1.00 0.00 H new ATOM 865 N GLN A 58 6.705 11.340 9.944 1.00 0.00 N ATOM 866 CA GLN A 58 7.149 11.507 8.565 1.00 0.00 C ATOM 867 C GLN A 58 7.767 10.218 8.033 1.00 0.00 C ATOM 868 O GLN A 58 8.864 10.228 7.476 1.00 0.00 O ATOM 869 CB GLN A 58 8.160 12.650 8.467 1.00 0.00 C ATOM 870 CG GLN A 58 7.728 13.909 9.200 1.00 0.00 C ATOM 871 CD GLN A 58 8.721 15.045 9.046 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.924 14.819 8.911 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.221 16.275 9.063 1.00 0.00 N ATOM 0 H GLN A 58 5.751 11.655 10.121 1.00 0.00 H new ATOM 0 HA GLN A 58 6.278 11.749 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.115 12.314 8.871 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.324 12.890 7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.756 14.228 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.602 13.683 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.217 16.416 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.841 17.079 8.962 1.00 0.00 H new ATOM 882 N SER A 59 7.055 9.109 8.209 1.00 0.00 N ATOM 883 CA SER A 59 7.536 7.812 7.751 1.00 0.00 C ATOM 884 C SER A 59 6.807 7.380 6.482 1.00 0.00 C ATOM 885 O SER A 59 5.638 7.709 6.282 1.00 0.00 O ATOM 886 CB SER A 59 7.347 6.758 8.844 1.00 0.00 C ATOM 887 OG SER A 59 8.307 5.723 8.727 1.00 0.00 O ATOM 0 H SER A 59 6.143 9.084 8.666 1.00 0.00 H new ATOM 0 HA SER A 59 8.598 7.905 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.431 7.227 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.344 6.337 8.778 1.00 0.00 H new ATOM 0 HG SER A 59 8.165 5.064 9.438 1.00 0.00 H new ATOM 893 N ASP A 60 7.507 6.641 5.627 1.00 0.00 N ATOM 894 CA ASP A 60 6.928 6.162 4.378 1.00 0.00 C ATOM 895 C ASP A 60 6.822 4.641 4.376 1.00 0.00 C ATOM 896 O ASP A 60 6.752 4.015 3.317 1.00 0.00 O ATOM 897 CB ASP A 60 7.770 6.629 3.189 1.00 0.00 C ATOM 898 CG ASP A 60 8.013 8.125 3.204 1.00 0.00 C ATOM 899 OD1 ASP A 60 8.780 8.593 4.072 1.00 0.00 O ATOM 900 OD2 ASP A 60 7.438 8.828 2.348 1.00 0.00 O ATOM 0 H ASP A 60 8.476 6.361 5.777 1.00 0.00 H new ATOM 0 HA ASP A 60 5.924 6.578 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.727 6.108 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.267 6.355 2.262 1.00 0.00 H new ATOM 905 N ILE A 61 6.813 4.051 5.567 1.00 0.00 N ATOM 906 CA ILE A 61 6.715 2.603 5.701 1.00 0.00 C ATOM 907 C ILE A 61 5.471 2.206 6.489 1.00 0.00 C ATOM 908 O ILE A 61 5.338 2.540 7.666 1.00 0.00 O ATOM 909 CB ILE A 61 7.959 2.018 6.398 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.226 2.714 5.896 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.042 0.518 6.159 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.559 2.398 4.455 1.00 0.00 C ATOM 0 H ILE A 61 6.872 4.554 6.453 1.00 0.00 H new ATOM 0 HA ILE A 61 6.647 2.196 4.692 1.00 0.00 H new ATOM 0 HB ILE A 61 7.873 2.192 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.106 3.792 6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.065 2.422 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.925 0.119 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.150 0.036 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.110 0.323 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.469 2.926 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.712 1.324 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.737 2.716 3.813 1.00 0.00 H new ATOM 924 N ILE A 62 4.565 1.492 5.831 1.00 0.00 N ATOM 925 CA ILE A 62 3.333 1.047 6.472 1.00 0.00 C ATOM 926 C ILE A 62 3.501 -0.340 7.083 1.00 0.00 C ATOM 927 O ILE A 62 4.162 -1.206 6.510 1.00 0.00 O ATOM 928 CB ILE A 62 2.160 1.017 5.474 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.737 2.440 5.107 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.987 0.244 6.059 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.695 2.498 4.013 1.00 0.00 C ATOM 0 H ILE A 62 4.660 1.209 4.856 1.00 0.00 H new ATOM 0 HA ILE A 62 3.110 1.765 7.262 1.00 0.00 H new ATOM 0 HB ILE A 62 2.488 0.511 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.346 2.935 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.616 3.001 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.166 0.231 5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.296 -0.779 6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.657 0.725 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.443 3.538 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.090 2.033 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.200 1.965 4.334 1.00 0.00 H new ATOM 943 N ALA A 63 2.898 -0.543 8.249 1.00 0.00 N ATOM 944 CA ALA A 63 2.977 -1.826 8.938 1.00 0.00 C ATOM 945 C ALA A 63 1.651 -2.573 8.859 1.00 0.00 C ATOM 946 O ALA A 63 0.610 -2.055 9.263 1.00 0.00 O ATOM 947 CB ALA A 63 3.385 -1.622 10.389 1.00 0.00 C ATOM 0 H ALA A 63 2.349 0.165 8.737 1.00 0.00 H new ATOM 0 HA ALA A 63 3.735 -2.431 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.440 -2.588 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.360 -1.137 10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.648 -0.995 10.890 1.00 0.00 H new ATOM 953 N ILE A 64 1.696 -3.795 8.336 1.00 0.00 N ATOM 954 CA ILE A 64 0.498 -4.614 8.205 1.00 0.00 C ATOM 955 C ILE A 64 0.576 -5.850 9.095 1.00 0.00 C ATOM 956 O ILE A 64 1.574 -6.572 9.088 1.00 0.00 O ATOM 957 CB ILE A 64 0.276 -5.057 6.747 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.245 -3.840 5.820 1.00 0.00 C ATOM 959 CG2 ILE A 64 -1.015 -5.855 6.627 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.169 -4.201 4.353 1.00 0.00 C ATOM 0 H ILE A 64 2.549 -4.239 7.997 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.343 -3.996 8.520 1.00 0.00 H new ATOM 0 HB ILE A 64 1.105 -5.697 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.612 -3.218 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.138 -3.239 5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.158 -6.161 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.957 -6.739 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.856 -5.237 6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.150 -3.290 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.040 -4.797 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.738 -4.776 4.166 1.00 0.00 H new ATOM 972 N THR A 65 -0.484 -6.091 9.860 1.00 0.00 N ATOM 973 CA THR A 65 -0.535 -7.240 10.755 1.00 0.00 C ATOM 974 C THR A 65 -1.396 -8.354 10.170 1.00 0.00 C ATOM 975 O THR A 65 -2.408 -8.094 9.519 1.00 0.00 O ATOM 976 CB THR A 65 -1.090 -6.851 12.138 1.00 0.00 C ATOM 977 OG1 THR A 65 -0.455 -5.654 12.601 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.869 -7.970 13.144 1.00 0.00 C ATOM 0 H THR A 65 -1.319 -5.505 9.878 1.00 0.00 H new ATOM 0 HA THR A 65 0.489 -7.597 10.870 1.00 0.00 H new ATOM 0 HB THR A 65 -2.162 -6.679 12.040 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.814 -5.412 13.480 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.269 -7.672 14.113 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.378 -8.872 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.199 -8.169 13.238 1.00 0.00 H new ATOM 986 N GLY A 66 -0.988 -9.598 10.405 1.00 0.00 N ATOM 987 CA GLY A 66 -1.735 -10.733 9.896 1.00 0.00 C ATOM 988 C GLY A 66 -0.865 -11.961 9.708 1.00 0.00 C ATOM 989 O GLY A 66 0.359 -11.887 9.817 1.00 0.00 O ATOM 0 H GLY A 66 -0.153 -9.839 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.547 -10.968 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.192 -10.466 8.943 1.00 0.00 H new ATOM 993 N LEU A 67 -1.500 -13.094 9.429 1.00 0.00 N ATOM 994 CA LEU A 67 -0.777 -14.345 9.227 1.00 0.00 C ATOM 995 C LEU A 67 0.082 -14.282 7.968 1.00 0.00 C ATOM 996 O LEU A 67 -0.326 -13.713 6.955 1.00 0.00 O ATOM 997 CB LEU A 67 -1.758 -15.514 9.131 1.00 0.00 C ATOM 998 CG LEU A 67 -2.517 -15.860 10.413 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.525 -16.969 10.153 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.548 -16.266 11.514 1.00 0.00 C ATOM 0 H LEU A 67 -2.513 -13.172 9.338 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.121 -14.498 10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.486 -15.289 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.208 -16.398 8.808 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.059 -14.973 10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.056 -17.202 11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.239 -16.642 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.004 -17.859 9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.106 -16.509 12.418 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.978 -17.139 11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.865 -15.442 11.719 1.00 0.00 H new ATOM 1012 N ALA A 68 1.272 -14.870 8.038 1.00 0.00 N ATOM 1013 CA ALA A 68 2.186 -14.885 6.902 1.00 0.00 C ATOM 1014 C ALA A 68 1.425 -15.025 5.588 1.00 0.00 C ATOM 1015 O ALA A 68 1.758 -14.377 4.595 1.00 0.00 O ATOM 1016 CB ALA A 68 3.197 -16.011 7.053 1.00 0.00 C ATOM 0 H ALA A 68 1.626 -15.342 8.870 1.00 0.00 H new ATOM 0 HA ALA A 68 2.719 -13.935 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.873 -16.010 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.770 -15.865 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.674 -16.966 7.101 1.00 0.00 H new ATOM 1022 N ALA A 69 0.404 -15.875 5.588 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.404 -16.099 4.396 1.00 0.00 C ATOM 1024 C ALA A 69 -1.161 -14.836 4.000 1.00 0.00 C ATOM 1025 O ALA A 69 -1.074 -14.381 2.861 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.374 -17.249 4.624 1.00 0.00 C ATOM 0 H ALA A 69 0.117 -16.420 6.401 1.00 0.00 H new ATOM 0 HA ALA A 69 0.266 -16.361 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.971 -17.405 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.815 -18.157 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.032 -17.010 5.460 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.903 -14.275 4.949 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.676 -13.064 4.698 1.00 0.00 C ATOM 1034 C ASN A 70 -1.763 -11.907 4.306 1.00 0.00 C ATOM 1035 O ASN A 70 -2.029 -11.192 3.339 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.491 -12.689 5.938 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.494 -13.762 6.318 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.964 -14.516 5.467 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.825 -13.834 7.601 1.00 0.00 N ATOM 0 H ASN A 70 -1.985 -14.639 5.898 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.357 -13.262 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.815 -12.515 6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.017 -11.752 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.495 -14.536 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.410 -13.188 8.272 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.687 -11.727 5.064 1.00 0.00 N ATOM 1047 CA LEU A 71 0.267 -10.657 4.796 1.00 0.00 C ATOM 1048 C LEU A 71 0.655 -10.630 3.321 1.00 0.00 C ATOM 1049 O LEU A 71 0.759 -9.563 2.716 1.00 0.00 O ATOM 1050 CB LEU A 71 1.517 -10.833 5.660 1.00 0.00 C ATOM 1051 CG LEU A 71 1.292 -10.834 7.173 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.554 -11.269 7.901 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.849 -9.458 7.647 1.00 0.00 C ATOM 0 H LEU A 71 -0.453 -12.308 5.869 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.209 -9.709 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.996 -11.772 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.218 -10.034 5.417 1.00 0.00 H new ATOM 0 HG LEU A 71 0.501 -11.548 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.374 -11.263 8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.828 -12.275 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.366 -10.581 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.694 -9.477 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.618 -8.725 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.082 -9.185 7.151 1.00 0.00 H new ATOM 1065 N ASP A 72 0.867 -11.810 2.749 1.00 0.00 N ATOM 1066 CA ASP A 72 1.241 -11.922 1.344 1.00 0.00 C ATOM 1067 C ASP A 72 0.134 -11.384 0.443 1.00 0.00 C ATOM 1068 O ASP A 72 0.373 -10.523 -0.405 1.00 0.00 O ATOM 1069 CB ASP A 72 1.542 -13.379 0.988 1.00 0.00 C ATOM 1070 CG ASP A 72 2.992 -13.745 1.231 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.851 -13.331 0.425 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.269 -14.449 2.225 1.00 0.00 O ATOM 0 H ASP A 72 0.786 -12.702 3.236 1.00 0.00 H new ATOM 0 HA ASP A 72 2.138 -11.324 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.901 -14.034 1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.297 -13.552 -0.060 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.077 -11.897 0.630 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.221 -11.470 -0.167 1.00 0.00 C ATOM 1079 C ARG A 73 -2.451 -9.969 -0.026 1.00 0.00 C ATOM 1080 O ARG A 73 -2.458 -9.236 -1.015 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.478 -12.232 0.257 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.195 -13.630 0.784 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.354 -14.575 0.506 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.369 -15.030 -0.881 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.238 -15.917 -1.354 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.157 -16.439 -0.555 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.187 -16.282 -2.629 1.00 0.00 N ATOM 0 H ARG A 73 -1.292 -12.610 1.327 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.007 -11.691 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.996 -11.661 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.154 -12.304 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.288 -14.018 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.010 -13.585 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.286 -15.437 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.294 -14.072 0.733 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.675 -14.646 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.198 -16.160 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.823 -17.120 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.481 -15.882 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.854 -16.963 -2.992 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.640 -9.517 1.210 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.869 -8.104 1.480 1.00 0.00 C ATOM 1103 C ALA A 74 -1.742 -7.247 0.915 1.00 0.00 C ATOM 1104 O ALA A 74 -1.984 -6.298 0.167 1.00 0.00 O ATOM 1105 CB ALA A 74 -3.013 -7.869 2.977 1.00 0.00 C ATOM 0 H ALA A 74 -2.639 -10.110 2.040 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.796 -7.811 0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.184 -6.809 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.857 -8.445 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.101 -8.185 3.484 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.509 -7.586 1.276 1.00 0.00 N ATOM 1112 CA LYS A 75 0.657 -6.848 0.804 1.00 0.00 C ATOM 1113 C LYS A 75 0.670 -6.767 -0.719 1.00 0.00 C ATOM 1114 O LYS A 75 0.847 -5.692 -1.291 1.00 0.00 O ATOM 1115 CB LYS A 75 1.943 -7.514 1.300 1.00 0.00 C ATOM 1116 CG LYS A 75 3.206 -6.778 0.890 1.00 0.00 C ATOM 1117 CD LYS A 75 4.452 -7.579 1.228 1.00 0.00 C ATOM 1118 CE LYS A 75 5.583 -7.288 0.253 1.00 0.00 C ATOM 1119 NZ LYS A 75 5.555 -8.208 -0.918 1.00 0.00 N ATOM 0 H LYS A 75 -0.291 -8.367 1.894 1.00 0.00 H new ATOM 0 HA LYS A 75 0.601 -5.836 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.910 -7.584 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.986 -8.533 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.180 -6.578 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.245 -5.812 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.774 -7.342 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.218 -8.643 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.508 -6.257 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.539 -7.383 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.310 -7.946 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.703 -9.186 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.633 -8.136 -1.394 1.00 0.00 H new ATOM 1133 N ALA A 76 0.479 -7.910 -1.369 1.00 0.00 N ATOM 1134 CA ALA A 76 0.466 -7.967 -2.826 1.00 0.00 C ATOM 1135 C ALA A 76 -0.597 -7.037 -3.402 1.00 0.00 C ATOM 1136 O ALA A 76 -0.535 -6.657 -4.570 1.00 0.00 O ATOM 1137 CB ALA A 76 0.231 -9.395 -3.296 1.00 0.00 C ATOM 0 H ALA A 76 0.331 -8.809 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 76 1.439 -7.633 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.224 -9.423 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.028 -10.037 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.728 -9.749 -2.918 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.572 -6.676 -2.574 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.635 -5.794 -3.020 1.00 0.00 C ATOM 1145 C GLY A 77 -2.250 -4.331 -2.930 1.00 0.00 C ATOM 1146 O GLY A 77 -2.516 -3.554 -3.849 1.00 0.00 O ATOM 0 H GLY A 77 -1.645 -6.978 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.895 -6.035 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.526 -5.970 -2.417 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.623 -3.952 -1.822 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.202 -2.571 -1.615 1.00 0.00 C ATOM 1152 C LEU A 78 -0.099 -2.185 -2.595 1.00 0.00 C ATOM 1153 O LEU A 78 -0.180 -1.154 -3.263 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.714 -2.376 -0.178 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.702 -0.936 0.337 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.118 -0.455 0.611 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.153 -0.826 1.591 1.00 0.00 C ATOM 0 H LEU A 78 -1.395 -4.582 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.062 -1.925 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.344 -2.972 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.297 -2.777 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.267 -0.299 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.089 0.571 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.701 -0.496 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.581 -1.095 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.150 0.205 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.253 -1.476 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.175 -1.129 1.362 1.00 0.00 H new ATOM 1169 N LEU A 79 0.930 -3.020 -2.678 1.00 0.00 N ATOM 1170 CA LEU A 79 2.050 -2.769 -3.579 1.00 0.00 C ATOM 1171 C LEU A 79 1.553 -2.352 -4.961 1.00 0.00 C ATOM 1172 O LEU A 79 2.066 -1.403 -5.554 1.00 0.00 O ATOM 1173 CB LEU A 79 2.927 -4.016 -3.695 1.00 0.00 C ATOM 1174 CG LEU A 79 3.786 -4.349 -2.475 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.388 -5.739 -2.610 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.879 -3.306 -2.292 1.00 0.00 C ATOM 0 H LEU A 79 1.013 -3.878 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 79 2.643 -1.954 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.283 -4.870 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.585 -3.894 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 79 3.149 -4.336 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.996 -5.959 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.589 -6.475 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.011 -5.780 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.481 -3.559 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.515 -3.286 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.426 -2.325 -2.148 1.00 0.00 H new ATOM 1188 N GLU A 80 0.552 -3.066 -5.464 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.014 -2.768 -6.776 1.00 0.00 C ATOM 1190 C GLU A 80 -0.867 -1.504 -6.725 1.00 0.00 C ATOM 1191 O GLU A 80 -0.867 -0.705 -7.661 1.00 0.00 O ATOM 1192 CB GLU A 80 -0.855 -3.946 -7.272 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.036 -5.049 -7.919 1.00 0.00 C ATOM 1194 CD GLU A 80 -0.843 -5.873 -8.904 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.862 -5.360 -9.414 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.455 -7.031 -9.167 1.00 0.00 O ATOM 0 H GLU A 80 0.116 -3.854 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 80 0.809 -2.602 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.411 -4.363 -6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.589 -3.581 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.818 -4.608 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.362 -5.704 -7.144 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.594 -1.331 -5.625 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.453 -0.166 -5.453 1.00 0.00 C ATOM 1205 C ARG A 81 -1.631 1.119 -5.443 1.00 0.00 C ATOM 1206 O ARG A 81 -2.059 2.147 -5.967 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.253 -0.283 -4.155 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.579 0.459 -4.187 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.685 -0.404 -4.774 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.979 0.274 -4.753 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.700 0.446 -3.652 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.256 -0.008 -2.487 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.867 1.074 -3.713 1.00 0.00 N ATOM 0 H ARG A 81 -1.605 -1.983 -4.840 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.144 -0.128 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.441 -1.337 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.651 0.101 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.851 0.764 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.474 1.369 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.432 -0.669 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.755 -1.335 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.349 0.635 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.359 -0.490 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.812 0.125 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.211 1.425 -4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.420 1.206 -2.866 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.447 1.054 -4.842 1.00 0.00 N ATOM 1228 CA VAL A 82 0.436 2.211 -4.764 1.00 0.00 C ATOM 1229 C VAL A 82 1.038 2.537 -6.126 1.00 0.00 C ATOM 1230 O VAL A 82 0.982 3.678 -6.586 1.00 0.00 O ATOM 1231 CB VAL A 82 1.575 1.980 -3.753 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.533 3.162 -3.750 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.012 1.737 -2.362 1.00 0.00 C ATOM 0 H VAL A 82 -0.077 0.211 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.172 3.051 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 82 2.131 1.092 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.331 2.982 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.962 3.285 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.993 4.067 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.831 1.576 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.431 2.604 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.370 0.857 -2.378 1.00 0.00 H new ATOM 1243 N LYS A 83 1.612 1.526 -6.769 1.00 0.00 N ATOM 1244 CA LYS A 83 2.224 1.702 -8.081 1.00 0.00 C ATOM 1245 C LYS A 83 1.229 2.304 -9.069 1.00 0.00 C ATOM 1246 O LYS A 83 1.589 3.145 -9.891 1.00 0.00 O ATOM 1247 CB LYS A 83 2.739 0.362 -8.611 1.00 0.00 C ATOM 1248 CG LYS A 83 3.858 -0.233 -7.775 1.00 0.00 C ATOM 1249 CD LYS A 83 4.051 -1.710 -8.073 1.00 0.00 C ATOM 1250 CE LYS A 83 4.719 -1.925 -9.423 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.156 -3.336 -9.608 1.00 0.00 N ATOM 0 H LYS A 83 1.666 0.576 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 83 3.063 2.389 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.911 -0.346 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.093 0.497 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.786 0.303 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.633 -0.101 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.658 -2.164 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.085 -2.214 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.026 -1.653 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.581 -1.264 -9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.606 -3.441 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.837 -3.589 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.330 -3.966 -9.550 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.024 1.867 -8.980 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.070 2.364 -9.866 1.00 0.00 C ATOM 1267 C GLU A 84 -1.505 3.770 -9.460 1.00 0.00 C ATOM 1268 O GLU A 84 -1.586 4.672 -10.294 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.275 1.421 -9.848 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.198 0.317 -10.890 1.00 0.00 C ATOM 1271 CD GLU A 84 -1.011 -0.602 -10.680 1.00 0.00 C ATOM 1272 OE1 GLU A 84 0.120 -0.202 -11.026 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -1.212 -1.723 -10.167 1.00 0.00 O ATOM 0 H GLU A 84 -0.339 1.171 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.665 2.405 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.359 0.971 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.183 2.002 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.116 -0.269 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.136 0.763 -11.883 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.783 3.948 -8.173 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.211 5.243 -7.656 1.00 0.00 C ATOM 1282 C LEU A 85 -1.218 6.336 -8.035 1.00 0.00 C ATOM 1283 O LEU A 85 -1.596 7.367 -8.590 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.363 5.181 -6.135 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.614 4.474 -5.613 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.412 4.023 -4.175 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.827 5.386 -5.724 1.00 0.00 C ATOM 0 H LEU A 85 -1.720 3.213 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.176 5.484 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.488 4.679 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.358 6.200 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.792 3.591 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.313 3.522 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.570 3.333 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.208 4.890 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.708 4.867 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.659 6.288 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.984 5.658 -6.768 1.00 0.00 H new