USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl -147:sc= -0.279 (180deg=-1.28!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00114 USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= 0.00569 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 48:sc= 0.0192 USER MOD Single : A 43 MET CE :methyl -177:sc= -0.631 (180deg=-0.657) USER MOD Single : A 45 MET CE :methyl -167:sc= -1.32 (180deg=-2.53) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -173:sc= -0.0064 (180deg=-0.0384) USER MOD Single : A 52 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-5.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= -0.636 (180deg=-2.31!) USER MOD Single : A 56 SER OG : rot -103:sc= -0.102 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.033 (180deg=0.0175) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0966 X(o=-0.097,f=-0.53) USER MOD Single : A 74 ASN : amide:sc=-0.00829 X(o=-0.0083,f=-0.033) USER MOD Single : A 76 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-1.5!) USER MOD Single : A 77 THR OG1 : rot -109:sc= 0.814 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.785 9.366 3.284 1.00 0.00 N ATOM 175 CA GLY A 16 1.210 8.077 2.940 1.00 0.00 C ATOM 176 C GLY A 16 2.142 6.934 3.346 1.00 0.00 C ATOM 177 O GLY A 16 3.360 7.104 3.381 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.247 7.960 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.022 8.034 1.867 1.00 0.00 H new ATOM 181 N PRO A 17 1.519 5.765 3.651 1.00 0.00 N ATOM 182 CA PRO A 17 2.279 4.594 4.054 1.00 0.00 C ATOM 183 C PRO A 17 2.973 3.951 2.851 1.00 0.00 C ATOM 184 O PRO A 17 2.619 4.226 1.705 1.00 0.00 O ATOM 185 CB PRO A 17 1.266 3.675 4.716 1.00 0.00 C ATOM 186 CG PRO A 17 -0.099 4.154 4.249 1.00 0.00 C ATOM 187 CD PRO A 17 0.078 5.527 3.621 1.00 0.00 C ATOM 0 HA PRO A 17 3.088 4.835 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.435 2.637 4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.346 3.723 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.522 3.456 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.793 4.205 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.306 5.548 2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.461 6.291 4.181 1.00 0.00 H new ATOM 195 N LEU A 18 3.949 3.107 3.153 1.00 0.00 N ATOM 196 CA LEU A 18 4.695 2.423 2.111 1.00 0.00 C ATOM 197 C LEU A 18 4.656 0.915 2.368 1.00 0.00 C ATOM 198 O LEU A 18 4.748 0.474 3.512 1.00 0.00 O ATOM 199 CB LEU A 18 6.112 2.992 2.004 1.00 0.00 C ATOM 200 CG LEU A 18 6.212 4.484 1.681 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.672 4.942 1.656 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.486 4.812 0.375 1.00 0.00 C ATOM 0 H LEU A 18 4.240 2.882 4.104 1.00 0.00 H new ATOM 0 HA LEU A 18 4.234 2.593 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.628 2.809 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.648 2.437 1.234 1.00 0.00 H new ATOM 0 HG LEU A 18 5.713 5.040 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.716 6.006 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.126 4.764 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.216 4.382 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.572 5.879 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.934 4.247 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.433 4.544 0.467 1.00 0.00 H new ATOM 214 N ALA A 19 4.519 0.165 1.283 1.00 0.00 N ATOM 215 CA ALA A 19 4.467 -1.284 1.377 1.00 0.00 C ATOM 216 C ALA A 19 5.748 -1.794 2.039 1.00 0.00 C ATOM 217 O ALA A 19 6.832 -1.268 1.790 1.00 0.00 O ATOM 218 CB ALA A 19 4.253 -1.878 -0.016 1.00 0.00 C ATOM 0 H ALA A 19 4.443 0.534 0.335 1.00 0.00 H new ATOM 0 HA ALA A 19 3.628 -1.599 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.214 -2.965 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.315 -1.507 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.077 -1.586 -0.667 1.00 0.00 H new ATOM 224 N PRO A 20 5.578 -2.841 2.890 1.00 0.00 N ATOM 225 CA PRO A 20 6.707 -3.429 3.590 1.00 0.00 C ATOM 226 C PRO A 20 7.549 -4.290 2.645 1.00 0.00 C ATOM 227 O PRO A 20 8.756 -4.430 2.837 1.00 0.00 O ATOM 228 CB PRO A 20 6.094 -4.224 4.730 1.00 0.00 C ATOM 229 CG PRO A 20 4.636 -4.433 4.355 1.00 0.00 C ATOM 230 CD PRO A 20 4.309 -3.490 3.209 1.00 0.00 C ATOM 0 HA PRO A 20 7.400 -2.680 3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.605 -5.178 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.181 -3.685 5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.463 -5.468 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.990 -4.233 5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.915 -4.033 2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.553 -2.760 3.500 1.00 0.00 H new ATOM 238 N MET A 21 6.879 -4.843 1.646 1.00 0.00 N ATOM 239 CA MET A 21 7.550 -5.687 0.671 1.00 0.00 C ATOM 240 C MET A 21 6.600 -6.076 -0.463 1.00 0.00 C ATOM 241 O MET A 21 5.396 -5.837 -0.380 1.00 0.00 O ATOM 242 CB MET A 21 8.068 -6.951 1.360 1.00 0.00 C ATOM 243 CG MET A 21 8.990 -7.743 0.431 1.00 0.00 C ATOM 244 SD MET A 21 10.080 -8.780 1.391 1.00 0.00 S ATOM 245 CE MET A 21 11.081 -7.530 2.180 1.00 0.00 C ATOM 0 H MET A 21 5.878 -4.724 1.490 1.00 0.00 H new ATOM 0 HA MET A 21 8.383 -5.127 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.607 -6.680 2.268 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.227 -7.575 1.662 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.397 -8.355 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.574 -7.059 -0.185 1.00 0.00 H new ATOM 0 HE1 MET A 21 12.094 -7.908 2.316 1.00 0.00 H new ATOM 0 HE2 MET A 21 11.108 -6.637 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.653 -7.281 3.151 1.00 0.00 H new ATOM 255 N THR A 22 7.177 -6.670 -1.498 1.00 0.00 N ATOM 256 CA THR A 22 6.397 -7.095 -2.647 1.00 0.00 C ATOM 257 C THR A 22 5.352 -8.132 -2.229 1.00 0.00 C ATOM 258 O THR A 22 5.676 -9.107 -1.553 1.00 0.00 O ATOM 259 CB THR A 22 7.367 -7.607 -3.714 1.00 0.00 C ATOM 260 OG1 THR A 22 8.051 -6.436 -4.152 1.00 0.00 O ATOM 261 CG2 THR A 22 6.647 -8.109 -4.968 1.00 0.00 C ATOM 0 H THR A 22 8.176 -6.867 -1.564 1.00 0.00 H new ATOM 0 HA THR A 22 5.833 -6.264 -3.071 1.00 0.00 H new ATOM 0 HB THR A 22 7.973 -8.411 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.702 -6.677 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.381 -8.461 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.979 -8.928 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.067 -7.296 -5.405 1.00 0.00 H new ATOM 269 N GLY A 23 4.120 -7.886 -2.649 1.00 0.00 N ATOM 270 CA GLY A 23 3.025 -8.785 -2.326 1.00 0.00 C ATOM 271 C GLY A 23 1.800 -8.491 -3.193 1.00 0.00 C ATOM 272 O GLY A 23 1.909 -7.832 -4.226 1.00 0.00 O ATOM 0 H GLY A 23 3.856 -7.077 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.341 -9.817 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.763 -8.681 -1.273 1.00 0.00 H new ATOM 276 N THR A 24 0.660 -8.993 -2.741 1.00 0.00 N ATOM 277 CA THR A 24 -0.585 -8.792 -3.462 1.00 0.00 C ATOM 278 C THR A 24 -1.659 -8.232 -2.527 1.00 0.00 C ATOM 279 O THR A 24 -1.887 -8.770 -1.445 1.00 0.00 O ATOM 280 CB THR A 24 -0.976 -10.122 -4.110 1.00 0.00 C ATOM 281 OG1 THR A 24 0.165 -10.480 -4.884 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.093 -9.964 -5.143 1.00 0.00 C ATOM 0 H THR A 24 0.573 -9.539 -1.884 1.00 0.00 H new ATOM 0 HA THR A 24 -0.469 -8.051 -4.252 1.00 0.00 H new ATOM 0 HB THR A 24 -1.293 -10.823 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.002 -11.332 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.332 -10.937 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.980 -9.553 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.765 -9.289 -5.934 1.00 0.00 H new ATOM 290 N ILE A 25 -2.290 -7.158 -2.979 1.00 0.00 N ATOM 291 CA ILE A 25 -3.335 -6.520 -2.197 1.00 0.00 C ATOM 292 C ILE A 25 -4.515 -7.482 -2.048 1.00 0.00 C ATOM 293 O ILE A 25 -5.318 -7.631 -2.967 1.00 0.00 O ATOM 294 CB ILE A 25 -3.715 -5.171 -2.811 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.503 -4.239 -2.880 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.885 -4.535 -2.056 1.00 0.00 C ATOM 297 CD1 ILE A 25 -2.049 -3.825 -1.478 1.00 0.00 C ATOM 0 H ILE A 25 -2.098 -6.714 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.976 -6.298 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.048 -5.343 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.685 -4.739 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.754 -3.352 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.135 -3.577 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.750 -5.196 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.604 -4.378 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.186 -3.163 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.862 -3.304 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.775 -4.712 -0.907 1.00 0.00 H new ATOM 309 N GLU A 26 -4.582 -8.109 -0.883 1.00 0.00 N ATOM 310 CA GLU A 26 -5.651 -9.052 -0.601 1.00 0.00 C ATOM 311 C GLU A 26 -6.975 -8.311 -0.405 1.00 0.00 C ATOM 312 O GLU A 26 -7.945 -8.567 -1.116 1.00 0.00 O ATOM 313 CB GLU A 26 -5.317 -9.911 0.620 1.00 0.00 C ATOM 314 CG GLU A 26 -6.571 -10.591 1.172 1.00 0.00 C ATOM 315 CD GLU A 26 -7.379 -11.246 0.049 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.810 -12.142 -0.610 1.00 0.00 O ATOM 317 OE2 GLU A 26 -8.547 -10.835 -0.124 1.00 0.00 O ATOM 0 H GLU A 26 -3.913 -7.983 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.754 -9.720 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.580 -10.666 0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.866 -9.290 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.287 -11.344 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.189 -9.857 1.689 1.00 0.00 H new ATOM 324 N LYS A 27 -6.973 -7.407 0.564 1.00 0.00 N ATOM 325 CA LYS A 27 -8.162 -6.627 0.862 1.00 0.00 C ATOM 326 C LYS A 27 -7.792 -5.144 0.925 1.00 0.00 C ATOM 327 O LYS A 27 -6.618 -4.799 1.053 1.00 0.00 O ATOM 328 CB LYS A 27 -8.838 -7.146 2.133 1.00 0.00 C ATOM 329 CG LYS A 27 -9.889 -8.208 1.801 1.00 0.00 C ATOM 330 CD LYS A 27 -11.267 -7.573 1.608 1.00 0.00 C ATOM 331 CE LYS A 27 -11.575 -7.374 0.122 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.933 -6.812 -0.054 1.00 0.00 N ATOM 0 H LYS A 27 -6.167 -7.198 1.153 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.899 -6.738 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.088 -7.568 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.308 -6.318 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.600 -8.740 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.933 -8.945 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.030 -8.207 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.304 -6.613 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.838 -6.705 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.498 -8.326 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.972 -6.271 -0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.627 -7.586 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.155 -6.184 0.745 1.00 0.00 H new ATOM 346 N VAL A 28 -8.814 -4.307 0.831 1.00 0.00 N ATOM 347 CA VAL A 28 -8.611 -2.869 0.875 1.00 0.00 C ATOM 348 C VAL A 28 -9.748 -2.222 1.668 1.00 0.00 C ATOM 349 O VAL A 28 -10.827 -1.982 1.130 1.00 0.00 O ATOM 350 CB VAL A 28 -8.482 -2.315 -0.545 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.624 -0.792 -0.555 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.161 -2.747 -1.184 1.00 0.00 C ATOM 0 H VAL A 28 -9.786 -4.597 0.724 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.680 -2.630 1.388 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.294 -2.730 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.528 -0.424 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.601 -0.515 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.844 -0.350 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.095 -2.340 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.329 -2.374 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.117 -3.835 -1.228 1.00 0.00 H new ATOM 362 N PHE A 29 -9.466 -1.957 2.936 1.00 0.00 N ATOM 363 CA PHE A 29 -10.452 -1.342 3.808 1.00 0.00 C ATOM 364 C PHE A 29 -10.272 0.177 3.854 1.00 0.00 C ATOM 365 O PHE A 29 -10.235 0.769 4.931 1.00 0.00 O ATOM 366 CB PHE A 29 -10.226 -1.913 5.210 1.00 0.00 C ATOM 367 CG PHE A 29 -10.283 -3.440 5.277 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.370 -4.102 4.798 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.246 -4.136 5.815 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.423 -5.519 4.860 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.299 -5.554 5.877 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.386 -6.216 5.398 1.00 0.00 C ATOM 0 H PHE A 29 -8.569 -2.157 3.379 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.457 -1.551 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.254 -1.580 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.977 -1.502 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.193 -3.549 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.382 -3.611 6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.287 -6.044 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.476 -6.107 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.426 -7.294 5.445 1.00 0.00 H new ATOM 382 N VAL A 30 -10.166 0.763 2.671 1.00 0.00 N ATOM 383 CA VAL A 30 -9.992 2.202 2.562 1.00 0.00 C ATOM 384 C VAL A 30 -10.722 2.707 1.316 1.00 0.00 C ATOM 385 O VAL A 30 -11.465 1.959 0.682 1.00 0.00 O ATOM 386 CB VAL A 30 -8.502 2.550 2.563 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.853 2.175 3.897 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.780 1.876 1.394 1.00 0.00 C ATOM 0 H VAL A 30 -10.197 0.268 1.780 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.431 2.706 3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.410 3.629 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.794 2.433 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.340 2.721 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.962 1.104 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.723 2.140 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.886 0.794 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.216 2.213 0.454 1.00 0.00 H new ATOM 398 N LYS A 31 -10.485 3.972 1.002 1.00 0.00 N ATOM 399 CA LYS A 31 -11.111 4.586 -0.156 1.00 0.00 C ATOM 400 C LYS A 31 -10.707 6.060 -0.229 1.00 0.00 C ATOM 401 O LYS A 31 -9.815 6.498 0.496 1.00 0.00 O ATOM 402 CB LYS A 31 -12.625 4.365 -0.127 1.00 0.00 C ATOM 403 CG LYS A 31 -13.208 4.736 1.238 1.00 0.00 C ATOM 404 CD LYS A 31 -14.071 5.996 1.141 1.00 0.00 C ATOM 405 CE LYS A 31 -15.387 5.704 0.418 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.468 5.445 1.394 1.00 0.00 N ATOM 0 H LYS A 31 -9.868 4.589 1.530 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.760 4.113 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.099 4.965 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.848 3.322 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.807 3.909 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.400 4.898 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.278 6.377 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.525 6.775 0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.656 6.549 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.265 4.841 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.354 5.249 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.216 4.624 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.595 6.280 2.001 1.00 0.00 H new ATOM 420 N ALA A 32 -11.381 6.783 -1.110 1.00 0.00 N ATOM 421 CA ALA A 32 -11.103 8.198 -1.286 1.00 0.00 C ATOM 422 C ALA A 32 -12.105 9.016 -0.469 1.00 0.00 C ATOM 423 O ALA A 32 -13.291 8.692 -0.430 1.00 0.00 O ATOM 424 CB ALA A 32 -11.145 8.545 -2.776 1.00 0.00 C ATOM 0 H ALA A 32 -12.119 6.416 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.105 8.441 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.936 9.607 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.395 7.959 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.133 8.317 -3.175 1.00 0.00 H new ATOM 430 N GLY A 33 -11.591 10.061 0.163 1.00 0.00 N ATOM 431 CA GLY A 33 -12.426 10.928 0.977 1.00 0.00 C ATOM 432 C GLY A 33 -12.947 10.188 2.211 1.00 0.00 C ATOM 433 O GLY A 33 -14.022 10.501 2.720 1.00 0.00 O ATOM 0 H GLY A 33 -10.607 10.327 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.854 11.802 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.266 11.291 0.385 1.00 0.00 H new ATOM 437 N ASP A 34 -12.160 9.219 2.655 1.00 0.00 N ATOM 438 CA ASP A 34 -12.528 8.431 3.820 1.00 0.00 C ATOM 439 C ASP A 34 -11.768 8.949 5.042 1.00 0.00 C ATOM 440 O ASP A 34 -10.879 9.791 4.914 1.00 0.00 O ATOM 441 CB ASP A 34 -12.163 6.958 3.626 1.00 0.00 C ATOM 442 CG ASP A 34 -13.164 5.961 4.213 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.265 6.418 4.590 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.805 4.765 4.273 1.00 0.00 O ATOM 0 H ASP A 34 -11.269 8.961 2.230 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.605 8.520 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.061 6.762 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.187 6.779 4.077 1.00 0.00 H new ATOM 449 N LYS A 35 -12.144 8.426 6.199 1.00 0.00 N ATOM 450 CA LYS A 35 -11.509 8.825 7.443 1.00 0.00 C ATOM 451 C LYS A 35 -11.008 7.580 8.178 1.00 0.00 C ATOM 452 O LYS A 35 -11.713 6.575 8.255 1.00 0.00 O ATOM 453 CB LYS A 35 -12.457 9.690 8.276 1.00 0.00 C ATOM 454 CG LYS A 35 -12.892 10.933 7.497 1.00 0.00 C ATOM 455 CD LYS A 35 -14.310 10.767 6.947 1.00 0.00 C ATOM 456 CE LYS A 35 -14.809 12.067 6.315 1.00 0.00 C ATOM 457 NZ LYS A 35 -16.151 11.874 5.722 1.00 0.00 N ATOM 0 H LYS A 35 -12.881 7.729 6.301 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.638 9.449 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.334 9.107 8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.964 9.990 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.850 11.807 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.198 11.113 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.325 9.969 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.983 10.468 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.848 12.853 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.110 12.397 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.475 12.767 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.104 11.139 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.819 11.581 6.463 1.00 0.00 H new ATOM 471 N VAL A 36 -9.794 7.687 8.698 1.00 0.00 N ATOM 472 CA VAL A 36 -9.190 6.582 9.423 1.00 0.00 C ATOM 473 C VAL A 36 -8.517 7.116 10.689 1.00 0.00 C ATOM 474 O VAL A 36 -8.427 8.327 10.885 1.00 0.00 O ATOM 475 CB VAL A 36 -8.228 5.820 8.510 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.992 5.033 7.443 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.213 6.769 7.870 1.00 0.00 C ATOM 0 H VAL A 36 -9.212 8.522 8.632 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.952 5.869 9.736 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.679 5.106 9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.285 4.500 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.657 4.317 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.580 5.721 6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.541 6.202 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.738 7.518 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.636 7.264 8.651 1.00 0.00 H new ATOM 487 N LYS A 37 -8.061 6.186 11.515 1.00 0.00 N ATOM 488 CA LYS A 37 -7.398 6.548 12.757 1.00 0.00 C ATOM 489 C LYS A 37 -6.034 5.858 12.822 1.00 0.00 C ATOM 490 O LYS A 37 -5.921 4.669 12.527 1.00 0.00 O ATOM 491 CB LYS A 37 -8.299 6.242 13.954 1.00 0.00 C ATOM 492 CG LYS A 37 -9.436 7.261 14.060 1.00 0.00 C ATOM 493 CD LYS A 37 -9.261 8.151 15.292 1.00 0.00 C ATOM 494 CE LYS A 37 -10.540 8.183 16.131 1.00 0.00 C ATOM 495 NZ LYS A 37 -10.740 9.527 16.719 1.00 0.00 N ATOM 0 H LYS A 37 -8.137 5.183 11.349 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.215 7.622 12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.713 5.239 13.855 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.709 6.254 14.870 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.461 7.878 13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.392 6.740 14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.434 7.781 15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.001 9.163 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.396 7.920 15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.481 7.438 16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.612 9.532 17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.931 9.764 17.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.818 10.231 15.957 1.00 0.00 H new ATOM 509 N ALA A 38 -5.032 6.634 13.209 1.00 0.00 N ATOM 510 CA ALA A 38 -3.680 6.112 13.316 1.00 0.00 C ATOM 511 C ALA A 38 -3.726 4.707 13.919 1.00 0.00 C ATOM 512 O ALA A 38 -4.256 4.514 15.013 1.00 0.00 O ATOM 513 CB ALA A 38 -2.825 7.074 14.144 1.00 0.00 C ATOM 0 H ALA A 38 -5.129 7.620 13.452 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.221 6.033 12.331 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.811 6.682 14.224 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.800 8.049 13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.254 7.177 15.141 1.00 0.00 H new ATOM 519 N GLY A 39 -3.165 3.761 13.181 1.00 0.00 N ATOM 520 CA GLY A 39 -3.136 2.380 13.629 1.00 0.00 C ATOM 521 C GLY A 39 -4.432 1.655 13.260 1.00 0.00 C ATOM 522 O GLY A 39 -4.943 0.854 14.040 1.00 0.00 O ATOM 0 H GLY A 39 -2.726 3.924 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.287 1.866 13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.992 2.347 14.709 1.00 0.00 H new ATOM 526 N ASP A 40 -4.925 1.964 12.069 1.00 0.00 N ATOM 527 CA ASP A 40 -6.152 1.353 11.587 1.00 0.00 C ATOM 528 C ASP A 40 -5.837 0.476 10.373 1.00 0.00 C ATOM 529 O ASP A 40 -5.031 0.853 9.524 1.00 0.00 O ATOM 530 CB ASP A 40 -7.163 2.415 11.153 1.00 0.00 C ATOM 531 CG ASP A 40 -7.972 3.041 12.291 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.609 2.777 13.457 1.00 0.00 O ATOM 533 OD2 ASP A 40 -8.936 3.770 11.968 1.00 0.00 O ATOM 0 H ASP A 40 -4.497 2.629 11.424 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.576 0.762 12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.631 3.208 10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.855 1.967 10.440 1.00 0.00 H new ATOM 538 N SER A 41 -6.489 -0.676 10.330 1.00 0.00 N ATOM 539 CA SER A 41 -6.288 -1.609 9.234 1.00 0.00 C ATOM 540 C SER A 41 -6.734 -0.972 7.916 1.00 0.00 C ATOM 541 O SER A 41 -7.927 -0.924 7.619 1.00 0.00 O ATOM 542 CB SER A 41 -7.047 -2.915 9.476 1.00 0.00 C ATOM 543 OG SER A 41 -8.327 -2.688 10.061 1.00 0.00 O ATOM 0 H SER A 41 -7.157 -0.985 11.036 1.00 0.00 H new ATOM 0 HA SER A 41 -5.225 -1.844 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.169 -3.444 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.459 -3.560 10.129 1.00 0.00 H new ATOM 0 HG SER A 41 -8.793 -1.982 9.565 1.00 0.00 H new ATOM 549 N LEU A 42 -5.753 -0.499 7.162 1.00 0.00 N ATOM 550 CA LEU A 42 -6.030 0.132 5.883 1.00 0.00 C ATOM 551 C LEU A 42 -6.366 -0.944 4.850 1.00 0.00 C ATOM 552 O LEU A 42 -7.500 -1.025 4.378 1.00 0.00 O ATOM 553 CB LEU A 42 -4.868 1.039 5.471 1.00 0.00 C ATOM 554 CG LEU A 42 -4.577 2.220 6.399 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.330 2.981 5.944 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.796 3.137 6.519 1.00 0.00 C ATOM 0 H LEU A 42 -4.765 -0.540 7.412 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.901 0.783 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.967 0.430 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.073 1.428 4.474 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.370 1.828 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.146 3.815 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.471 2.310 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.484 3.360 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.562 3.968 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.059 3.523 5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.637 2.574 6.924 1.00 0.00 H new ATOM 568 N MET A 43 -5.361 -1.745 4.527 1.00 0.00 N ATOM 569 CA MET A 43 -5.536 -2.813 3.558 1.00 0.00 C ATOM 570 C MET A 43 -4.782 -4.073 3.989 1.00 0.00 C ATOM 571 O MET A 43 -4.083 -4.067 5.001 1.00 0.00 O ATOM 572 CB MET A 43 -5.024 -2.353 2.192 1.00 0.00 C ATOM 573 CG MET A 43 -5.722 -1.065 1.750 1.00 0.00 C ATOM 574 SD MET A 43 -4.553 0.284 1.722 1.00 0.00 S ATOM 575 CE MET A 43 -4.266 0.408 -0.035 1.00 0.00 C ATOM 0 H MET A 43 -4.422 -1.675 4.920 1.00 0.00 H new ATOM 0 HA MET A 43 -6.598 -3.051 3.496 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.947 -2.190 2.239 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.195 -3.136 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.159 -1.199 0.760 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.541 -0.833 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.514 1.173 -0.228 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.914 -0.551 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.195 0.678 -0.537 1.00 0.00 H new ATOM 585 N VAL A 44 -4.949 -5.123 3.198 1.00 0.00 N ATOM 586 CA VAL A 44 -4.293 -6.388 3.485 1.00 0.00 C ATOM 587 C VAL A 44 -3.449 -6.804 2.278 1.00 0.00 C ATOM 588 O VAL A 44 -3.933 -6.802 1.148 1.00 0.00 O ATOM 589 CB VAL A 44 -5.332 -7.439 3.880 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.676 -8.805 4.091 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.106 -7.004 5.126 1.00 0.00 C ATOM 0 H VAL A 44 -5.529 -5.124 2.359 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.618 -6.285 4.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.044 -7.532 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.436 -9.534 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.191 -9.122 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.933 -8.733 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.838 -7.769 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.413 -6.869 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.619 -6.064 4.926 1.00 0.00 H new ATOM 601 N MET A 45 -2.202 -7.153 2.560 1.00 0.00 N ATOM 602 CA MET A 45 -1.287 -7.571 1.512 1.00 0.00 C ATOM 603 C MET A 45 -0.823 -9.012 1.733 1.00 0.00 C ATOM 604 O MET A 45 -0.956 -9.550 2.831 1.00 0.00 O ATOM 605 CB MET A 45 -0.073 -6.640 1.494 1.00 0.00 C ATOM 606 CG MET A 45 -0.201 -5.594 0.385 1.00 0.00 C ATOM 607 SD MET A 45 0.305 -6.295 -1.177 1.00 0.00 S ATOM 608 CE MET A 45 2.021 -5.802 -1.196 1.00 0.00 C ATOM 0 H MET A 45 -1.804 -7.155 3.499 1.00 0.00 H new ATOM 0 HA MET A 45 -1.809 -7.520 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.022 -6.142 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.835 -7.224 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.232 -5.246 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.415 -4.726 0.620 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.432 -5.953 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.100 -4.749 -0.926 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.580 -6.403 -0.479 1.00 0.00 H new ATOM 618 N ILE A 46 -0.288 -9.596 0.671 1.00 0.00 N ATOM 619 CA ILE A 46 0.197 -10.965 0.735 1.00 0.00 C ATOM 620 C ILE A 46 1.510 -11.073 -0.043 1.00 0.00 C ATOM 621 O ILE A 46 1.553 -10.785 -1.238 1.00 0.00 O ATOM 622 CB ILE A 46 -0.883 -11.938 0.258 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.137 -11.836 1.129 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.343 -13.369 0.197 1.00 0.00 C ATOM 625 CD1 ILE A 46 -3.028 -13.067 0.953 1.00 0.00 C ATOM 0 H ILE A 46 -0.180 -9.147 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 46 0.413 -11.245 1.766 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.171 -11.658 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.850 -11.737 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.695 -10.938 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.130 -14.041 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.497 -13.412 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.010 -13.675 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.912 -12.969 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.333 -13.149 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.475 -13.961 1.241 1.00 0.00 H new ATOM 637 N ALA A 47 2.549 -11.489 0.666 1.00 0.00 N ATOM 638 CA ALA A 47 3.859 -11.639 0.057 1.00 0.00 C ATOM 639 C ALA A 47 4.231 -13.122 0.015 1.00 0.00 C ATOM 640 O ALA A 47 3.988 -13.799 -0.983 1.00 0.00 O ATOM 641 CB ALA A 47 4.881 -10.803 0.831 1.00 0.00 C ATOM 0 H ALA A 47 2.510 -11.727 1.657 1.00 0.00 H new ATOM 0 HA ALA A 47 3.849 -11.273 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.864 -10.916 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.587 -9.754 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.921 -11.143 1.866 1.00 0.00 H new ATOM 647 N MET A 48 4.814 -13.584 1.112 1.00 0.00 N ATOM 648 CA MET A 48 5.222 -14.975 1.213 1.00 0.00 C ATOM 649 C MET A 48 4.143 -15.814 1.901 1.00 0.00 C ATOM 650 O MET A 48 4.318 -16.242 3.041 1.00 0.00 O ATOM 651 CB MET A 48 6.526 -15.069 2.007 1.00 0.00 C ATOM 652 CG MET A 48 7.724 -14.667 1.145 1.00 0.00 C ATOM 653 SD MET A 48 9.204 -15.461 1.747 1.00 0.00 S ATOM 654 CE MET A 48 9.998 -14.074 2.542 1.00 0.00 C ATOM 0 H MET A 48 5.013 -13.020 1.938 1.00 0.00 H new ATOM 0 HA MET A 48 5.371 -15.364 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.470 -14.422 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.661 -16.087 2.371 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.547 -14.949 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.849 -13.584 1.164 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.945 -14.396 2.975 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.183 -13.291 1.807 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.351 -13.687 3.330 1.00 0.00 H new ATOM 664 N LYS A 49 3.052 -16.024 1.180 1.00 0.00 N ATOM 665 CA LYS A 49 1.945 -16.804 1.707 1.00 0.00 C ATOM 666 C LYS A 49 1.648 -16.356 3.139 1.00 0.00 C ATOM 667 O LYS A 49 1.466 -17.188 4.028 1.00 0.00 O ATOM 668 CB LYS A 49 2.234 -18.300 1.577 1.00 0.00 C ATOM 669 CG LYS A 49 1.279 -18.959 0.579 1.00 0.00 C ATOM 670 CD LYS A 49 -0.123 -19.102 1.174 1.00 0.00 C ATOM 671 CE LYS A 49 -0.930 -20.166 0.427 1.00 0.00 C ATOM 672 NZ LYS A 49 -1.938 -19.531 -0.450 1.00 0.00 N ATOM 0 H LYS A 49 2.911 -15.668 0.235 1.00 0.00 H new ATOM 0 HA LYS A 49 1.042 -16.627 1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.264 -18.448 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.135 -18.779 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.232 -18.363 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.661 -19.941 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.049 -19.370 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.642 -18.145 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.261 -20.787 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.424 -20.824 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.477 -20.267 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.587 -18.957 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.460 -18.921 -1.144 1.00 0.00 H new ATOM 686 N MET A 50 1.608 -15.044 3.320 1.00 0.00 N ATOM 687 CA MET A 50 1.336 -14.477 4.629 1.00 0.00 C ATOM 688 C MET A 50 0.457 -13.230 4.515 1.00 0.00 C ATOM 689 O MET A 50 0.559 -12.481 3.544 1.00 0.00 O ATOM 690 CB MET A 50 2.656 -14.110 5.311 1.00 0.00 C ATOM 691 CG MET A 50 3.322 -15.347 5.917 1.00 0.00 C ATOM 692 SD MET A 50 4.703 -14.859 6.937 1.00 0.00 S ATOM 693 CE MET A 50 5.923 -14.535 5.673 1.00 0.00 C ATOM 0 H MET A 50 1.760 -14.357 2.581 1.00 0.00 H new ATOM 0 HA MET A 50 0.804 -15.221 5.222 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.328 -13.649 4.587 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.473 -13.372 6.092 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.599 -15.905 6.512 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.663 -16.012 5.124 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.888 -14.338 6.140 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.008 -15.402 5.018 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.619 -13.667 5.088 1.00 0.00 H new ATOM 703 N GLU A 51 -0.387 -13.046 5.519 1.00 0.00 N ATOM 704 CA GLU A 51 -1.284 -11.903 5.544 1.00 0.00 C ATOM 705 C GLU A 51 -0.622 -10.724 6.261 1.00 0.00 C ATOM 706 O GLU A 51 -0.229 -10.840 7.420 1.00 0.00 O ATOM 707 CB GLU A 51 -2.617 -12.266 6.200 1.00 0.00 C ATOM 708 CG GLU A 51 -3.354 -13.334 5.391 1.00 0.00 C ATOM 709 CD GLU A 51 -3.215 -14.711 6.045 1.00 0.00 C ATOM 710 OE1 GLU A 51 -3.906 -14.928 7.064 1.00 0.00 O ATOM 711 OE2 GLU A 51 -2.420 -15.514 5.512 1.00 0.00 O ATOM 0 H GLU A 51 -0.469 -13.670 6.322 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.492 -11.607 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.441 -12.629 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.239 -11.375 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.409 -13.071 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.955 -13.367 4.377 1.00 0.00 H new ATOM 718 N HIS A 52 -0.519 -9.617 5.541 1.00 0.00 N ATOM 719 CA HIS A 52 0.088 -8.418 6.094 1.00 0.00 C ATOM 720 C HIS A 52 -0.993 -7.368 6.354 1.00 0.00 C ATOM 721 O HIS A 52 -1.917 -7.213 5.557 1.00 0.00 O ATOM 722 CB HIS A 52 1.205 -7.905 5.183 1.00 0.00 C ATOM 723 CG HIS A 52 2.167 -8.977 4.727 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.459 -10.095 5.489 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.899 -9.089 3.582 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.329 -10.839 4.822 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.601 -10.214 3.641 1.00 0.00 N ATOM 0 H HIS A 52 -0.846 -9.525 4.579 1.00 0.00 H new ATOM 0 HA HIS A 52 0.556 -8.652 7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.758 -7.435 4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.763 -7.131 5.710 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.071 -10.310 6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.906 -8.382 2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.749 -11.776 5.155 1.00 0.00 H new ATOM 735 N THR A 53 -0.842 -6.675 7.473 1.00 0.00 N ATOM 736 CA THR A 53 -1.795 -5.644 7.849 1.00 0.00 C ATOM 737 C THR A 53 -1.103 -4.282 7.927 1.00 0.00 C ATOM 738 O THR A 53 -0.503 -3.944 8.947 1.00 0.00 O ATOM 739 CB THR A 53 -2.455 -6.067 9.163 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.036 -7.334 8.868 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.651 -5.185 9.528 1.00 0.00 C ATOM 0 H THR A 53 -0.074 -6.807 8.131 1.00 0.00 H new ATOM 0 HA THR A 53 -2.576 -5.534 7.097 1.00 0.00 H new ATOM 0 HB THR A 53 -1.719 -6.032 9.966 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.484 -7.682 9.667 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.083 -5.528 10.468 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.322 -4.152 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.402 -5.246 8.740 1.00 0.00 H new ATOM 749 N ILE A 54 -1.209 -3.537 6.837 1.00 0.00 N ATOM 750 CA ILE A 54 -0.601 -2.219 6.769 1.00 0.00 C ATOM 751 C ILE A 54 -1.484 -1.216 7.514 1.00 0.00 C ATOM 752 O ILE A 54 -2.459 -0.710 6.961 1.00 0.00 O ATOM 753 CB ILE A 54 -0.323 -1.831 5.315 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.709 -2.770 4.686 1.00 0.00 C ATOM 755 CG2 ILE A 54 0.097 -0.364 5.210 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.067 -4.098 4.281 1.00 0.00 C ATOM 0 H ILE A 54 -1.707 -3.821 5.993 1.00 0.00 H new ATOM 0 HA ILE A 54 0.369 -2.221 7.265 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.247 -1.942 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.153 -2.295 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.518 -2.954 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.289 -0.114 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.701 0.271 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.003 -0.202 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.822 -4.747 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.354 -4.582 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.725 -3.913 3.555 1.00 0.00 H new ATOM 768 N LYS A 55 -1.111 -0.958 8.759 1.00 0.00 N ATOM 769 CA LYS A 55 -1.856 -0.024 9.586 1.00 0.00 C ATOM 770 C LYS A 55 -1.481 1.407 9.197 1.00 0.00 C ATOM 771 O LYS A 55 -0.367 1.658 8.739 1.00 0.00 O ATOM 772 CB LYS A 55 -1.644 -0.334 11.069 1.00 0.00 C ATOM 773 CG LYS A 55 -2.289 -1.669 11.448 1.00 0.00 C ATOM 774 CD LYS A 55 -3.302 -1.487 12.580 1.00 0.00 C ATOM 775 CE LYS A 55 -4.169 -2.737 12.747 1.00 0.00 C ATOM 776 NZ LYS A 55 -5.605 -2.382 12.692 1.00 0.00 N ATOM 0 H LYS A 55 -0.302 -1.380 9.215 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.927 -0.132 9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.577 -0.366 11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.070 0.465 11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.785 -2.098 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.518 -2.375 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.777 -1.277 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.936 -0.626 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.936 -3.456 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.943 -3.219 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.082 -2.730 13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.705 -1.348 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.038 -2.817 11.853 1.00 0.00 H new ATOM 790 N SER A 56 -2.431 2.309 9.395 1.00 0.00 N ATOM 791 CA SER A 56 -2.214 3.709 9.071 1.00 0.00 C ATOM 792 C SER A 56 -1.057 4.265 9.903 1.00 0.00 C ATOM 793 O SER A 56 -0.946 3.971 11.092 1.00 0.00 O ATOM 794 CB SER A 56 -3.482 4.532 9.307 1.00 0.00 C ATOM 795 OG SER A 56 -3.264 5.923 9.089 1.00 0.00 O ATOM 0 H SER A 56 -3.353 2.098 9.776 1.00 0.00 H new ATOM 0 HA SER A 56 -1.959 3.780 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.271 4.180 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.831 4.375 10.328 1.00 0.00 H new ATOM 0 HG SER A 56 -3.195 6.382 9.952 1.00 0.00 H new ATOM 801 N PRO A 57 -0.203 5.080 9.227 1.00 0.00 N ATOM 802 CA PRO A 57 0.942 5.680 9.891 1.00 0.00 C ATOM 803 C PRO A 57 0.506 6.832 10.800 1.00 0.00 C ATOM 804 O PRO A 57 1.170 7.129 11.792 1.00 0.00 O ATOM 805 CB PRO A 57 1.860 6.126 8.766 1.00 0.00 C ATOM 806 CG PRO A 57 0.994 6.181 7.518 1.00 0.00 C ATOM 807 CD PRO A 57 -0.304 5.450 7.819 1.00 0.00 C ATOM 0 HA PRO A 57 1.456 4.984 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.297 7.101 8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.687 5.428 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.794 7.215 7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.507 5.716 6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.169 6.088 7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.419 4.570 7.186 1.00 0.00 H new ATOM 815 N LYS A 58 -0.606 7.449 10.428 1.00 0.00 N ATOM 816 CA LYS A 58 -1.137 8.561 11.197 1.00 0.00 C ATOM 817 C LYS A 58 -2.574 8.842 10.753 1.00 0.00 C ATOM 818 O LYS A 58 -3.044 8.278 9.766 1.00 0.00 O ATOM 819 CB LYS A 58 -0.213 9.776 11.091 1.00 0.00 C ATOM 820 CG LYS A 58 -0.094 10.249 9.641 1.00 0.00 C ATOM 821 CD LYS A 58 -0.054 11.777 9.565 1.00 0.00 C ATOM 822 CE LYS A 58 1.024 12.249 8.587 1.00 0.00 C ATOM 823 NZ LYS A 58 1.648 13.502 9.069 1.00 0.00 N ATOM 0 H LYS A 58 -1.154 7.200 9.604 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.173 8.308 12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.598 10.586 11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.774 9.521 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.809 9.835 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.938 9.874 9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.027 12.155 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.142 12.189 10.555 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.785 11.477 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.585 12.410 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.377 13.809 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.922 14.241 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.084 13.337 9.999 1.00 0.00 H new ATOM 837 N ASP A 59 -3.232 9.713 11.504 1.00 0.00 N ATOM 838 CA ASP A 59 -4.606 10.075 11.200 1.00 0.00 C ATOM 839 C ASP A 59 -4.632 10.961 9.952 1.00 0.00 C ATOM 840 O ASP A 59 -3.753 11.800 9.764 1.00 0.00 O ATOM 841 CB ASP A 59 -5.235 10.862 12.351 1.00 0.00 C ATOM 842 CG ASP A 59 -4.299 11.853 13.045 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.572 11.404 13.957 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.331 13.038 12.648 1.00 0.00 O ATOM 0 H ASP A 59 -2.839 10.179 12.322 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.169 9.156 11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.098 11.407 11.969 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.607 10.156 13.093 1.00 0.00 H new ATOM 849 N GLY A 60 -5.649 10.743 9.132 1.00 0.00 N ATOM 850 CA GLY A 60 -5.801 11.510 7.908 1.00 0.00 C ATOM 851 C GLY A 60 -6.939 10.954 7.049 1.00 0.00 C ATOM 852 O GLY A 60 -7.391 9.831 7.264 1.00 0.00 O ATOM 0 H GLY A 60 -6.376 10.046 9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.001 12.554 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.869 11.487 7.343 1.00 0.00 H new ATOM 856 N THR A 61 -7.369 11.767 6.095 1.00 0.00 N ATOM 857 CA THR A 61 -8.445 11.370 5.203 1.00 0.00 C ATOM 858 C THR A 61 -7.888 10.997 3.828 1.00 0.00 C ATOM 859 O THR A 61 -7.455 11.866 3.073 1.00 0.00 O ATOM 860 CB THR A 61 -9.465 12.510 5.157 1.00 0.00 C ATOM 861 OG1 THR A 61 -10.188 12.379 6.378 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.525 12.304 4.073 1.00 0.00 C ATOM 0 H THR A 61 -6.992 12.698 5.920 1.00 0.00 H new ATOM 0 HA THR A 61 -8.951 10.476 5.567 1.00 0.00 H new ATOM 0 HB THR A 61 -8.947 13.453 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.870 13.081 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.223 13.141 4.083 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.042 12.247 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.066 11.377 4.265 1.00 0.00 H new ATOM 870 N VAL A 62 -7.918 9.703 3.544 1.00 0.00 N ATOM 871 CA VAL A 62 -7.422 9.204 2.273 1.00 0.00 C ATOM 872 C VAL A 62 -7.920 10.110 1.145 1.00 0.00 C ATOM 873 O VAL A 62 -9.118 10.366 1.033 1.00 0.00 O ATOM 874 CB VAL A 62 -7.830 7.741 2.090 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.330 7.196 0.751 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.330 6.882 3.253 1.00 0.00 C ATOM 0 H VAL A 62 -8.278 8.985 4.173 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.332 9.228 2.252 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.919 7.695 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.633 6.154 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.757 7.782 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.243 7.263 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.634 5.847 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.243 6.937 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.757 7.249 4.186 1.00 0.00 H new ATOM 886 N LYS A 63 -6.976 10.570 0.337 1.00 0.00 N ATOM 887 CA LYS A 63 -7.304 11.441 -0.778 1.00 0.00 C ATOM 888 C LYS A 63 -7.561 10.592 -2.025 1.00 0.00 C ATOM 889 O LYS A 63 -8.614 10.706 -2.651 1.00 0.00 O ATOM 890 CB LYS A 63 -6.216 12.500 -0.969 1.00 0.00 C ATOM 891 CG LYS A 63 -6.430 13.278 -2.269 1.00 0.00 C ATOM 892 CD LYS A 63 -5.521 14.506 -2.329 1.00 0.00 C ATOM 893 CE LYS A 63 -5.231 14.904 -3.777 1.00 0.00 C ATOM 894 NZ LYS A 63 -3.869 15.471 -3.897 1.00 0.00 N ATOM 0 H LYS A 63 -5.983 10.355 0.433 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.221 11.993 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.221 13.188 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.237 12.022 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.229 12.630 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.472 13.589 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.993 15.338 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.585 14.295 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.327 14.033 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.966 15.635 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.689 15.736 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.789 16.314 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.170 14.762 -3.596 1.00 0.00 H new ATOM 908 N LYS A 64 -6.582 9.760 -2.347 1.00 0.00 N ATOM 909 CA LYS A 64 -6.689 8.892 -3.508 1.00 0.00 C ATOM 910 C LYS A 64 -5.861 7.628 -3.272 1.00 0.00 C ATOM 911 O LYS A 64 -4.793 7.685 -2.664 1.00 0.00 O ATOM 912 CB LYS A 64 -6.306 9.650 -4.781 1.00 0.00 C ATOM 913 CG LYS A 64 -5.974 8.681 -5.917 1.00 0.00 C ATOM 914 CD LYS A 64 -4.460 8.542 -6.094 1.00 0.00 C ATOM 915 CE LYS A 64 -4.049 8.832 -7.539 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.044 9.918 -7.583 1.00 0.00 N ATOM 0 H LYS A 64 -5.711 9.668 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.722 8.575 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.127 10.301 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.447 10.291 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.410 7.705 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.421 9.036 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.947 9.229 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.149 7.534 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.640 7.931 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.925 9.115 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.913 10.230 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.372 10.719 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.139 9.569 -7.208 1.00 0.00 H new ATOM 930 N VAL A 65 -6.384 6.515 -3.766 1.00 0.00 N ATOM 931 CA VAL A 65 -5.706 5.239 -3.616 1.00 0.00 C ATOM 932 C VAL A 65 -4.821 4.990 -4.839 1.00 0.00 C ATOM 933 O VAL A 65 -5.067 5.542 -5.911 1.00 0.00 O ATOM 934 CB VAL A 65 -6.730 4.126 -3.383 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.039 2.812 -3.016 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.745 4.530 -2.312 1.00 0.00 C ATOM 0 H VAL A 65 -7.269 6.471 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.056 5.253 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.272 3.969 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.790 2.038 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.375 2.511 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.459 2.949 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.461 3.721 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.225 4.728 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.273 5.429 -2.631 1.00 0.00 H new ATOM 946 N PHE A 66 -3.808 4.160 -4.638 1.00 0.00 N ATOM 947 CA PHE A 66 -2.885 3.831 -5.711 1.00 0.00 C ATOM 948 C PHE A 66 -3.025 2.365 -6.125 1.00 0.00 C ATOM 949 O PHE A 66 -2.766 2.014 -7.275 1.00 0.00 O ATOM 950 CB PHE A 66 -1.472 4.064 -5.172 1.00 0.00 C ATOM 951 CG PHE A 66 -1.068 5.537 -5.102 1.00 0.00 C ATOM 952 CD1 PHE A 66 -0.999 6.278 -6.241 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.777 6.107 -3.902 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.623 7.646 -6.176 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.401 7.475 -3.837 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.332 8.215 -4.975 1.00 0.00 C ATOM 0 H PHE A 66 -3.606 3.705 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.095 4.448 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.398 3.630 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.761 3.532 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.230 5.826 -7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.832 5.519 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.568 8.235 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.170 7.927 -2.884 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.046 9.255 -4.926 1.00 0.00 H new ATOM 966 N TYR A 67 -3.435 1.549 -5.165 1.00 0.00 N ATOM 967 CA TYR A 67 -3.613 0.128 -5.416 1.00 0.00 C ATOM 968 C TYR A 67 -5.012 -0.331 -4.999 1.00 0.00 C ATOM 969 O TYR A 67 -5.648 0.295 -4.153 1.00 0.00 O ATOM 970 CB TYR A 67 -2.575 -0.586 -4.548 1.00 0.00 C ATOM 971 CG TYR A 67 -1.145 -0.494 -5.085 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.852 -0.961 -6.350 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.149 0.056 -4.304 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.494 -0.874 -6.856 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.197 0.142 -4.809 1.00 0.00 C ATOM 976 CZ TYR A 67 1.451 -0.327 -6.060 1.00 0.00 C ATOM 977 OH TYR A 67 2.722 -0.245 -6.538 1.00 0.00 O ATOM 0 H TYR A 67 -3.649 1.844 -4.212 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.494 -0.093 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.603 -0.163 -3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.852 -1.636 -4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.632 -1.392 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.379 0.422 -3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.737 -1.235 -7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.986 0.569 -4.208 1.00 0.00 H new ATOM 0 HH TYR A 67 2.699 -0.149 -7.513 1.00 0.00 H new ATOM 987 N ARG A 68 -5.449 -1.421 -5.613 1.00 0.00 N ATOM 988 CA ARG A 68 -6.761 -1.971 -5.317 1.00 0.00 C ATOM 989 C ARG A 68 -6.659 -3.476 -5.061 1.00 0.00 C ATOM 990 O ARG A 68 -5.609 -4.077 -5.281 1.00 0.00 O ATOM 991 CB ARG A 68 -7.736 -1.721 -6.469 1.00 0.00 C ATOM 992 CG ARG A 68 -7.900 -0.223 -6.733 1.00 0.00 C ATOM 993 CD ARG A 68 -9.311 0.246 -6.371 1.00 0.00 C ATOM 994 NE ARG A 68 -10.052 0.615 -7.598 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.222 1.268 -7.601 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.792 1.627 -6.443 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.822 1.561 -8.763 1.00 0.00 N ATOM 0 H ARG A 68 -4.918 -1.938 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.137 -1.471 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.374 -2.215 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.705 -2.160 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.167 0.335 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.701 -0.011 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.841 -0.545 -5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.257 1.101 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.647 0.356 -8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.335 1.403 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.683 2.124 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.388 1.287 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.713 2.058 -8.766 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.765 -4.042 -4.601 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.814 -5.465 -4.314 1.00 0.00 C ATOM 1013 C GLU A 69 -7.270 -6.266 -5.499 1.00 0.00 C ATOM 1014 O GLU A 69 -7.657 -6.028 -6.642 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.237 -5.905 -3.961 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.787 -5.092 -2.788 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.191 -4.567 -3.096 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -12.140 -5.369 -2.960 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.284 -3.375 -3.461 1.00 0.00 O ATOM 0 H GLU A 69 -8.634 -3.540 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.183 -5.662 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.885 -5.782 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.241 -6.965 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.815 -5.712 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.121 -4.256 -2.576 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.382 -7.197 -5.185 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.781 -8.034 -6.210 1.00 0.00 C ATOM 1028 C GLY A 70 -4.847 -7.218 -7.106 1.00 0.00 C ATOM 1029 O GLY A 70 -4.957 -7.265 -8.330 1.00 0.00 O ATOM 0 H GLY A 70 -6.064 -7.391 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.224 -8.846 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.563 -8.492 -6.815 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.949 -6.488 -6.461 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.996 -5.663 -7.183 1.00 0.00 C ATOM 1035 C ALA A 71 -1.574 -6.103 -6.828 1.00 0.00 C ATOM 1036 O ALA A 71 -1.371 -6.835 -5.861 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.248 -4.189 -6.860 1.00 0.00 C ATOM 0 H ALA A 71 -3.861 -6.451 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.120 -5.787 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.533 -3.570 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.261 -3.919 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.130 -4.026 -5.789 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.627 -5.637 -7.629 1.00 0.00 N ATOM 1044 CA GLN A 72 0.769 -5.973 -7.411 1.00 0.00 C ATOM 1045 C GLN A 72 1.553 -4.731 -6.982 1.00 0.00 C ATOM 1046 O GLN A 72 1.687 -3.780 -7.752 1.00 0.00 O ATOM 1047 CB GLN A 72 1.383 -6.604 -8.662 1.00 0.00 C ATOM 1048 CG GLN A 72 2.911 -6.561 -8.605 1.00 0.00 C ATOM 1049 CD GLN A 72 3.516 -7.888 -9.067 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.065 -8.963 -8.708 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.558 -7.753 -9.883 1.00 0.00 N ATOM 0 H GLN A 72 -0.799 -5.029 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 72 0.824 -6.709 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.048 -7.637 -8.754 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.034 -6.075 -9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.279 -5.751 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.234 -6.345 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.884 -6.822 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.030 -8.580 -10.248 1.00 0.00 H new ATOM 1060 N ALA A 73 2.052 -4.779 -5.756 1.00 0.00 N ATOM 1061 CA ALA A 73 2.819 -3.670 -5.215 1.00 0.00 C ATOM 1062 C ALA A 73 4.298 -4.058 -5.157 1.00 0.00 C ATOM 1063 O ALA A 73 4.637 -5.237 -5.248 1.00 0.00 O ATOM 1064 CB ALA A 73 2.263 -3.285 -3.843 1.00 0.00 C ATOM 0 H ALA A 73 1.940 -5.569 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 73 2.733 -2.794 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.839 -2.453 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.219 -2.989 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.335 -4.138 -3.169 1.00 0.00 H new ATOM 1070 N ASN A 74 5.138 -3.045 -5.007 1.00 0.00 N ATOM 1071 CA ASN A 74 6.572 -3.266 -4.936 1.00 0.00 C ATOM 1072 C ASN A 74 7.090 -2.791 -3.576 1.00 0.00 C ATOM 1073 O ASN A 74 6.371 -2.126 -2.832 1.00 0.00 O ATOM 1074 CB ASN A 74 7.305 -2.477 -6.022 1.00 0.00 C ATOM 1075 CG ASN A 74 7.875 -3.414 -7.090 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.193 -4.268 -7.631 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.161 -3.206 -7.361 1.00 0.00 N ATOM 0 H ASN A 74 4.853 -2.068 -4.933 1.00 0.00 H new ATOM 0 HA ASN A 74 6.757 -4.331 -5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.621 -1.766 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.112 -1.897 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.634 -3.779 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.673 -2.473 -6.871 1.00 0.00 H new ATOM 1084 N ARG A 75 8.333 -3.152 -3.294 1.00 0.00 N ATOM 1085 CA ARG A 75 8.956 -2.771 -2.037 1.00 0.00 C ATOM 1086 C ARG A 75 9.200 -1.261 -2.002 1.00 0.00 C ATOM 1087 O ARG A 75 9.983 -0.737 -2.793 1.00 0.00 O ATOM 1088 CB ARG A 75 10.285 -3.501 -1.838 1.00 0.00 C ATOM 1089 CG ARG A 75 10.125 -5.005 -2.067 1.00 0.00 C ATOM 1090 CD ARG A 75 11.434 -5.746 -1.783 1.00 0.00 C ATOM 1091 NE ARG A 75 12.531 -5.161 -2.586 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.803 -5.577 -2.534 1.00 0.00 C ATOM 1093 NH1 ARG A 75 14.147 -6.581 -1.717 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.732 -4.987 -3.299 1.00 0.00 N ATOM 0 H ARG A 75 8.926 -3.704 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 75 8.277 -3.051 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.030 -3.102 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.655 -3.321 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.336 -5.393 -1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.815 -5.189 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.675 -5.682 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.322 -6.804 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 75 12.304 -4.393 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.440 -7.029 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.116 -6.897 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.470 -4.222 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.701 -5.303 -3.260 1.00 0.00 H new ATOM 1108 N HIS A 76 8.516 -0.605 -1.076 1.00 0.00 N ATOM 1109 CA HIS A 76 8.649 0.834 -0.927 1.00 0.00 C ATOM 1110 C HIS A 76 7.769 1.541 -1.960 1.00 0.00 C ATOM 1111 O HIS A 76 8.264 2.317 -2.776 1.00 0.00 O ATOM 1112 CB HIS A 76 10.117 1.256 -1.012 1.00 0.00 C ATOM 1113 CG HIS A 76 11.068 0.316 -0.311 1.00 0.00 C ATOM 1114 ND1 HIS A 76 12.426 0.288 -0.574 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.842 -0.629 0.648 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.983 -0.636 0.196 1.00 0.00 C ATOM 1117 NE2 HIS A 76 12.000 -1.203 0.952 1.00 0.00 N ATOM 0 H HIS A 76 7.868 -1.044 -0.422 1.00 0.00 H new ATOM 0 HA HIS A 76 8.301 1.134 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.403 1.330 -2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.224 2.252 -0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.884 -0.869 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.031 -0.894 0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 76 12.133 -1.946 1.638 1.00 0.00 H new ATOM 1125 N THR A 77 6.479 1.247 -1.891 1.00 0.00 N ATOM 1126 CA THR A 77 5.525 1.844 -2.810 1.00 0.00 C ATOM 1127 C THR A 77 4.353 2.456 -2.040 1.00 0.00 C ATOM 1128 O THR A 77 4.034 2.016 -0.936 1.00 0.00 O ATOM 1129 CB THR A 77 5.098 0.770 -3.813 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.771 -0.354 -3.000 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.262 0.279 -4.676 1.00 0.00 C ATOM 0 H THR A 77 6.072 0.603 -1.213 1.00 0.00 H new ATOM 0 HA THR A 77 5.974 2.668 -3.365 1.00 0.00 H new ATOM 0 HB THR A 77 4.311 1.166 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.456 -1.047 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.905 -0.482 -5.370 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.677 1.116 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.035 -0.148 -4.036 1.00 0.00 H new ATOM 1139 N PRO A 78 3.728 3.487 -2.668 1.00 0.00 N ATOM 1140 CA PRO A 78 2.598 4.163 -2.053 1.00 0.00 C ATOM 1141 C PRO A 78 1.335 3.304 -2.132 1.00 0.00 C ATOM 1142 O PRO A 78 0.993 2.793 -3.198 1.00 0.00 O ATOM 1143 CB PRO A 78 2.470 5.478 -2.806 1.00 0.00 C ATOM 1144 CG PRO A 78 3.229 5.288 -4.109 1.00 0.00 C ATOM 1145 CD PRO A 78 4.078 4.034 -3.976 1.00 0.00 C ATOM 0 HA PRO A 78 2.743 4.341 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.424 5.720 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.888 6.302 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.535 5.192 -4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.858 6.154 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.862 3.323 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.141 4.267 -4.036 1.00 0.00 H new ATOM 1153 N LEU A 79 0.676 3.170 -0.990 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.541 2.381 -0.917 1.00 0.00 C ATOM 1155 C LEU A 79 -1.752 3.316 -0.938 1.00 0.00 C ATOM 1156 O LEU A 79 -2.695 3.099 -1.697 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.504 1.450 0.297 1.00 0.00 C ATOM 1158 CG LEU A 79 0.699 0.509 0.385 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.945 0.066 1.828 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.533 -0.682 -0.560 1.00 0.00 C ATOM 0 H LEU A 79 0.962 3.595 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.625 1.730 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.529 2.061 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.412 0.847 0.295 1.00 0.00 H new ATOM 0 HG LEU A 79 1.585 1.056 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.806 -0.602 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.140 0.940 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.065 -0.457 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.402 -1.335 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.365 -1.237 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.444 -0.323 -1.585 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.686 4.337 -0.096 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.765 5.306 -0.008 1.00 0.00 C ATOM 1174 C VAL A 80 -2.175 6.702 0.199 1.00 0.00 C ATOM 1175 O VAL A 80 -1.140 6.853 0.846 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.744 4.901 1.095 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.857 4.009 0.540 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -3.014 4.212 2.250 1.00 0.00 C ATOM 0 H VAL A 80 -0.902 4.514 0.532 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.335 5.328 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.205 5.809 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.539 3.735 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.405 4.549 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.421 3.107 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.733 3.934 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.513 3.317 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.275 4.894 2.672 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.859 7.688 -0.362 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.416 9.067 -0.246 1.00 0.00 C ATOM 1190 C GLU A 81 -3.364 9.856 0.660 1.00 0.00 C ATOM 1191 O GLU A 81 -4.544 10.009 0.346 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.301 9.724 -1.623 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.750 11.146 -1.509 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.542 11.342 -2.428 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.464 10.637 -2.200 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -0.653 12.193 -3.337 1.00 0.00 O ATOM 0 H GLU A 81 -3.717 7.559 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.425 9.072 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.648 9.128 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.280 9.747 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.529 11.863 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.463 11.347 -0.477 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.813 10.335 1.765 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.595 11.103 2.719 1.00 0.00 C ATOM 1205 C PHE A 82 -3.869 12.514 2.192 1.00 0.00 C ATOM 1206 O PHE A 82 -3.117 13.030 1.368 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.766 11.202 4.001 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.822 9.948 4.876 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.954 9.652 5.568 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.738 9.130 4.961 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -4.005 8.488 6.380 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.790 7.967 5.773 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.922 7.670 6.465 1.00 0.00 C ATOM 0 H PHE A 82 -1.834 10.206 2.021 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.554 10.616 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.728 11.402 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.116 12.055 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.814 10.302 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.839 9.365 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.904 8.252 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.930 7.318 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.961 6.785 7.082 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.949 13.098 2.691 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.331 14.438 2.282 1.00 0.00 C ATOM 1225 C GLU A 83 -4.306 15.458 2.780 1.00 0.00 C ATOM 1226 O GLU A 83 -3.451 15.134 3.603 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.736 14.784 2.781 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.798 14.373 1.759 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.886 15.391 0.621 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.886 16.600 0.939 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -7.953 14.937 -0.542 1.00 0.00 O ATOM 0 H GLU A 83 -5.571 12.667 3.375 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.349 14.473 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.924 14.279 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.805 15.855 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.557 13.390 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.767 14.287 2.251 1.00 0.00 H new