USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 91 ASN : amide:sc= 0.163 K(o=0.39,f=-0.84!) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.23 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 176:sc= -0.191 (180deg=-0.283) USER MOD Set 2.2: A 102 ASN : amide:sc= -1.28 X(o=-1.5,f=-1.9) USER MOD Set 3.1: A 48 HIS : no HD1:sc= -1.89 X(o=-3.5,f=-3.6) USER MOD Set 3.2: A 86 SER OG : rot 74:sc= -1.63! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.156 X(o=-0.21,f=-0.14) USER MOD Set 4.2: A 47 THR OG1 : rot -98:sc= -0.0507 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -1.51 USER MOD Single : A 20 GLN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0.414 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= -0.0732 (180deg=-1.16) USER MOD Single : A 38 CYS SG : rot -2:sc= -0.785 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0.0445 (180deg=0.0443) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.22 F(o=-3.8!,f=-3.2) USER MOD Single : A 49 MET CE :methyl -118:sc= -1.76 (180deg=-2.38!) USER MOD Single : A 50 SER OG : rot -154:sc= 1.24 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.768) USER MOD Single : A 76 MET CE :methyl 173:sc= 0 (180deg=-0.0615) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.37) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0146) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -109:sc= -2.08 (180deg=-7.43!) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.127 (180deg=-0.334) USER MOD Single : A 92 GLN : amide:sc= -1.36 K(o=-1.4,f=-9.5!) USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= -0.112 (180deg=-0.847) USER MOD Single : A 101 ASN : amide:sc= 0.245 K(o=0.25,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 15.091 2.332 7.553 1.00 0.00 N ATOM 229 CA LEU A 12 13.790 2.593 6.947 1.00 0.00 C ATOM 230 C LEU A 12 13.452 4.079 7.001 1.00 0.00 C ATOM 231 O LEU A 12 13.790 4.784 7.952 1.00 0.00 O ATOM 232 CB LEU A 12 12.703 1.785 7.657 1.00 0.00 C ATOM 233 CG LEU A 12 12.699 0.280 7.386 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.725 -0.428 8.315 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.347 0.002 5.931 1.00 0.00 C ATOM 0 HA LEU A 12 13.836 2.288 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.806 1.940 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.732 2.188 7.369 1.00 0.00 H new ATOM 0 HG LEU A 12 13.700 -0.107 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.736 -1.498 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.020 -0.256 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.720 -0.038 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.349 -1.074 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.357 0.404 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.083 0.477 5.282 1.00 0.00 H new ATOM 247 N PRO A 13 12.766 4.568 5.956 1.00 0.00 N ATOM 248 CA PRO A 13 12.364 5.975 5.862 1.00 0.00 C ATOM 249 C PRO A 13 11.279 6.336 6.869 1.00 0.00 C ATOM 250 O PRO A 13 10.747 5.468 7.562 1.00 0.00 O ATOM 251 CB PRO A 13 11.829 6.095 4.433 1.00 0.00 C ATOM 252 CG PRO A 13 11.390 4.718 4.075 1.00 0.00 C ATOM 253 CD PRO A 13 12.330 3.785 4.788 1.00 0.00 C ATOM 0 HA PRO A 13 13.190 6.651 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.000 6.801 4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.599 6.455 3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.359 4.544 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.430 4.564 2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.832 2.863 5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.172 3.503 4.156 1.00 0.00 H new ATOM 261 N ALA A 14 10.952 7.623 6.946 1.00 0.00 N ATOM 262 CA ALA A 14 9.929 8.098 7.866 1.00 0.00 C ATOM 263 C ALA A 14 8.537 7.967 7.257 1.00 0.00 C ATOM 264 O ALA A 14 8.389 7.553 6.105 1.00 0.00 O ATOM 265 CB ALA A 14 10.201 9.543 8.259 1.00 0.00 C ATOM 0 H ALA A 14 11.383 8.355 6.381 1.00 0.00 H new ATOM 0 HA ALA A 14 9.965 7.476 8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.428 9.885 8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.175 9.611 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.196 10.170 7.367 1.00 0.00 H new ATOM 271 N LEU A 15 7.519 8.321 8.033 1.00 0.00 N ATOM 272 CA LEU A 15 6.139 8.241 7.569 1.00 0.00 C ATOM 273 C LEU A 15 5.881 9.249 6.452 1.00 0.00 C ATOM 274 O LEU A 15 6.405 10.363 6.476 1.00 0.00 O ATOM 275 CB LEU A 15 5.174 8.490 8.729 1.00 0.00 C ATOM 276 CG LEU A 15 3.721 8.078 8.495 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.613 6.569 8.342 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.838 8.565 9.635 1.00 0.00 C ATOM 0 H LEU A 15 7.623 8.666 8.987 1.00 0.00 H new ATOM 0 HA LEU A 15 5.972 7.239 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.545 7.957 9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.195 9.553 8.970 1.00 0.00 H new ATOM 0 HG LEU A 15 3.376 8.542 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.571 6.294 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.214 6.246 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.976 6.084 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.807 8.263 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.182 8.130 10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.892 9.652 9.698 1.00 0.00 H new ATOM 290 N TYR A 16 5.070 8.851 5.480 1.00 0.00 N ATOM 291 CA TYR A 16 4.743 9.719 4.355 1.00 0.00 C ATOM 292 C TYR A 16 5.997 10.093 3.572 1.00 0.00 C ATOM 293 O TYR A 16 6.055 11.144 2.931 1.00 0.00 O ATOM 294 CB TYR A 16 4.039 10.985 4.848 1.00 0.00 C ATOM 295 CG TYR A 16 2.701 10.718 5.500 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.773 9.872 4.905 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.364 11.315 6.710 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.549 9.627 5.497 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.143 11.074 7.309 1.00 0.00 C ATOM 300 CZ TYR A 16 0.238 10.229 6.698 1.00 0.00 C ATOM 301 OH TYR A 16 -0.979 9.988 7.292 1.00 0.00 O ATOM 0 H TYR A 16 4.626 7.933 5.448 1.00 0.00 H new ATOM 0 HA TYR A 16 4.072 9.173 3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.686 11.496 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.895 11.662 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.012 9.398 3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.069 11.978 7.189 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.161 8.967 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.898 11.544 8.250 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.038 10.488 8.133 1.00 0.00 H new ATOM 311 N THR A 17 7.003 9.226 3.630 1.00 0.00 N ATOM 312 CA THR A 17 8.258 9.465 2.927 1.00 0.00 C ATOM 313 C THR A 17 8.219 8.884 1.518 1.00 0.00 C ATOM 314 O THR A 17 7.600 7.846 1.281 1.00 0.00 O ATOM 315 CB THR A 17 9.452 8.855 3.688 1.00 0.00 C ATOM 316 OG1 THR A 17 9.537 9.421 5.000 1.00 0.00 O ATOM 317 CG2 THR A 17 10.753 9.099 2.938 1.00 0.00 C ATOM 0 H THR A 17 6.973 8.353 4.156 1.00 0.00 H new ATOM 0 HA THR A 17 8.386 10.546 2.868 1.00 0.00 H new ATOM 0 HB THR A 17 9.294 7.779 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.453 9.726 5.166 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.581 8.660 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.695 8.641 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.916 10.171 2.831 1.00 0.00 H new ATOM 325 N ILE A 18 8.882 9.560 0.586 1.00 0.00 N ATOM 326 CA ILE A 18 8.922 9.110 -0.800 1.00 0.00 C ATOM 327 C ILE A 18 10.307 8.584 -1.166 1.00 0.00 C ATOM 328 O ILE A 18 11.318 9.238 -0.913 1.00 0.00 O ATOM 329 CB ILE A 18 8.543 10.243 -1.771 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.136 10.760 -1.462 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.631 9.759 -3.210 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.693 11.886 -2.370 1.00 0.00 C ATOM 0 H ILE A 18 9.399 10.421 0.765 1.00 0.00 H new ATOM 0 HA ILE A 18 8.193 8.305 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 18 9.248 11.064 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.428 9.936 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.103 11.103 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.360 10.571 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.650 9.435 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.946 8.923 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.687 12.202 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.379 12.727 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.693 11.541 -3.404 1.00 0.00 H new ATOM 344 N PHE A 19 10.343 7.398 -1.764 1.00 0.00 N ATOM 345 CA PHE A 19 11.603 6.784 -2.167 1.00 0.00 C ATOM 346 C PHE A 19 11.402 5.873 -3.375 1.00 0.00 C ATOM 347 O PHE A 19 10.284 5.450 -3.667 1.00 0.00 O ATOM 348 CB PHE A 19 12.199 5.985 -1.005 1.00 0.00 C ATOM 349 CG PHE A 19 11.199 5.111 -0.303 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.906 3.846 -0.785 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.552 5.556 0.838 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.987 3.039 -0.141 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.633 4.753 1.487 1.00 0.00 C ATOM 354 CZ PHE A 19 9.349 3.494 0.996 1.00 0.00 C ATOM 0 H PHE A 19 9.515 6.843 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 19 12.294 7.580 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.012 5.364 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.634 6.677 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.401 3.486 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.768 6.541 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.768 2.054 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.137 5.110 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.629 2.866 1.500 1.00 0.00 H new ATOM 364 N GLN A 20 12.494 5.577 -4.073 1.00 0.00 N ATOM 365 CA GLN A 20 12.438 4.718 -5.250 1.00 0.00 C ATOM 366 C GLN A 20 12.878 3.298 -4.909 1.00 0.00 C ATOM 367 O GLN A 20 13.967 3.085 -4.377 1.00 0.00 O ATOM 368 CB GLN A 20 13.321 5.285 -6.362 1.00 0.00 C ATOM 369 CG GLN A 20 12.828 4.948 -7.760 1.00 0.00 C ATOM 370 CD GLN A 20 13.403 5.867 -8.820 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.470 6.455 -8.635 1.00 0.00 O ATOM 372 NE2 GLN A 20 12.699 5.998 -9.938 1.00 0.00 N ATOM 0 H GLN A 20 13.427 5.919 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 20 11.405 4.685 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.374 6.368 -6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.334 4.903 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.093 3.917 -7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.740 5.010 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.820 5.492 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.037 6.604 -10.685 1.00 0.00 H new ATOM 381 N GLY A 21 12.022 2.328 -5.217 1.00 0.00 N ATOM 382 CA GLY A 21 12.340 0.941 -4.936 1.00 0.00 C ATOM 383 C GLY A 21 12.034 0.027 -6.106 1.00 0.00 C ATOM 384 O GLY A 21 11.311 0.408 -7.026 1.00 0.00 O ATOM 0 H GLY A 21 11.114 2.479 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.397 0.858 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.775 0.611 -4.064 1.00 0.00 H new ATOM 388 N GLU A 22 12.588 -1.181 -6.072 1.00 0.00 N ATOM 389 CA GLU A 22 12.371 -2.150 -7.140 1.00 0.00 C ATOM 390 C GLU A 22 11.451 -3.276 -6.676 1.00 0.00 C ATOM 391 O GLU A 22 11.536 -3.732 -5.535 1.00 0.00 O ATOM 392 CB GLU A 22 13.706 -2.730 -7.612 1.00 0.00 C ATOM 393 CG GLU A 22 13.558 -3.913 -8.554 1.00 0.00 C ATOM 394 CD GLU A 22 14.851 -4.685 -8.729 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.777 -4.154 -9.378 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.938 -5.820 -8.215 1.00 0.00 O ATOM 0 H GLU A 22 13.190 -1.512 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 22 11.893 -1.633 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.276 -1.947 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.286 -3.039 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.788 -4.583 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.217 -3.558 -9.526 1.00 0.00 H new ATOM 403 N VAL A 23 10.573 -3.720 -7.568 1.00 0.00 N ATOM 404 CA VAL A 23 9.637 -4.793 -7.251 1.00 0.00 C ATOM 405 C VAL A 23 10.366 -6.117 -7.051 1.00 0.00 C ATOM 406 O VAL A 23 11.191 -6.513 -7.873 1.00 0.00 O ATOM 407 CB VAL A 23 8.581 -4.962 -8.360 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.840 -6.281 -8.194 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.610 -3.791 -8.355 1.00 0.00 C ATOM 0 H VAL A 23 10.489 -3.354 -8.516 1.00 0.00 H new ATOM 0 HA VAL A 23 9.137 -4.514 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 23 9.090 -4.977 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.098 -6.384 -8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.549 -7.107 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.341 -6.299 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.871 -3.927 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.105 -3.741 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.157 -2.864 -8.526 1.00 0.00 H new ATOM 419 N ALA A 24 10.053 -6.797 -5.953 1.00 0.00 N ATOM 420 CA ALA A 24 10.677 -8.078 -5.645 1.00 0.00 C ATOM 421 C ALA A 24 9.660 -9.213 -5.707 1.00 0.00 C ATOM 422 O ALA A 24 10.017 -10.366 -5.946 1.00 0.00 O ATOM 423 CB ALA A 24 11.334 -8.030 -4.274 1.00 0.00 C ATOM 0 H ALA A 24 9.372 -6.482 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 24 11.443 -8.270 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.796 -8.993 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.097 -7.251 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.581 -7.811 -3.517 1.00 0.00 H new ATOM 429 N MET A 25 8.392 -8.877 -5.491 1.00 0.00 N ATOM 430 CA MET A 25 7.324 -9.869 -5.523 1.00 0.00 C ATOM 431 C MET A 25 6.024 -9.251 -6.028 1.00 0.00 C ATOM 432 O MET A 25 5.697 -8.110 -5.697 1.00 0.00 O ATOM 433 CB MET A 25 7.111 -10.466 -4.131 1.00 0.00 C ATOM 434 CG MET A 25 6.201 -11.684 -4.124 1.00 0.00 C ATOM 435 SD MET A 25 6.473 -12.746 -2.692 1.00 0.00 S ATOM 436 CE MET A 25 4.787 -13.175 -2.265 1.00 0.00 C ATOM 0 H MET A 25 8.080 -7.927 -5.292 1.00 0.00 H new ATOM 0 HA MET A 25 7.620 -10.663 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.078 -10.743 -3.712 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.688 -9.703 -3.478 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.162 -11.356 -4.136 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.364 -12.260 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.788 -13.831 -1.395 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.228 -12.268 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.318 -13.687 -3.105 1.00 0.00 H new ATOM 446 N VAL A 26 5.284 -10.010 -6.829 1.00 0.00 N ATOM 447 CA VAL A 26 4.019 -9.537 -7.379 1.00 0.00 C ATOM 448 C VAL A 26 2.865 -10.436 -6.953 1.00 0.00 C ATOM 449 O VAL A 26 2.887 -11.646 -7.182 1.00 0.00 O ATOM 450 CB VAL A 26 4.065 -9.472 -8.917 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.742 -8.962 -9.469 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.219 -8.595 -9.379 1.00 0.00 C ATOM 0 H VAL A 26 5.539 -10.956 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 26 3.858 -8.533 -6.986 1.00 0.00 H new ATOM 0 HB VAL A 26 4.228 -10.479 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.793 -8.923 -10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.939 -9.634 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.546 -7.963 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.236 -8.560 -10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.090 -7.587 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.159 -9.009 -9.014 1.00 0.00 H new ATOM 462 N THR A 27 1.853 -9.838 -6.331 1.00 0.00 N ATOM 463 CA THR A 27 0.689 -10.584 -5.871 1.00 0.00 C ATOM 464 C THR A 27 -0.598 -10.009 -6.454 1.00 0.00 C ATOM 465 O THR A 27 -0.645 -8.844 -6.850 1.00 0.00 O ATOM 466 CB THR A 27 0.590 -10.581 -4.335 1.00 0.00 C ATOM 467 OG1 THR A 27 0.410 -9.243 -3.858 1.00 0.00 O ATOM 468 CG2 THR A 27 1.840 -11.183 -3.710 1.00 0.00 C ATOM 0 H THR A 27 1.817 -8.838 -6.134 1.00 0.00 H new ATOM 0 HA THR A 27 0.815 -11.610 -6.217 1.00 0.00 H new ATOM 0 HB THR A 27 -0.269 -11.188 -4.048 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.110 -9.259 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.746 -11.170 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.958 -12.211 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.712 -10.600 -4.006 1.00 0.00 H new ATOM 476 N ASP A 28 -1.639 -10.832 -6.501 1.00 0.00 N ATOM 477 CA ASP A 28 -2.927 -10.404 -7.034 1.00 0.00 C ATOM 478 C ASP A 28 -3.605 -9.417 -6.088 1.00 0.00 C ATOM 479 O ASP A 28 -4.700 -8.928 -6.366 1.00 0.00 O ATOM 480 CB ASP A 28 -3.835 -11.613 -7.265 1.00 0.00 C ATOM 481 CG ASP A 28 -3.517 -12.337 -8.559 1.00 0.00 C ATOM 482 OD1 ASP A 28 -3.190 -11.656 -9.553 1.00 0.00 O ATOM 483 OD2 ASP A 28 -3.598 -13.583 -8.577 1.00 0.00 O ATOM 0 H ASP A 28 -1.617 -11.799 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.750 -9.905 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.732 -12.306 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.874 -11.285 -7.281 1.00 0.00 H new ATOM 488 N TYR A 29 -2.947 -9.129 -4.972 1.00 0.00 N ATOM 489 CA TYR A 29 -3.487 -8.203 -3.983 1.00 0.00 C ATOM 490 C TYR A 29 -2.479 -7.105 -3.657 1.00 0.00 C ATOM 491 O TYR A 29 -2.643 -6.364 -2.689 1.00 0.00 O ATOM 492 CB TYR A 29 -3.871 -8.953 -2.707 1.00 0.00 C ATOM 493 CG TYR A 29 -2.768 -9.834 -2.167 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.686 -9.288 -1.488 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.808 -11.213 -2.334 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.675 -10.089 -0.993 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.803 -12.022 -1.840 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.738 -11.455 -1.172 1.00 0.00 C ATOM 499 OH TYR A 29 0.267 -12.257 -0.679 1.00 0.00 O ATOM 0 H TYR A 29 -2.038 -9.523 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.378 -7.739 -4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.154 -8.230 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.750 -9.567 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.634 -8.219 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.639 -11.660 -2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.160 -9.648 -0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.851 -13.092 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 29 0.070 -13.194 -0.888 1.00 0.00 H new ATOM 509 N GLY A 30 -1.435 -7.008 -4.474 1.00 0.00 N ATOM 510 CA GLY A 30 -0.415 -5.998 -4.257 1.00 0.00 C ATOM 511 C GLY A 30 0.952 -6.440 -4.744 1.00 0.00 C ATOM 512 O GLY A 30 1.075 -7.456 -5.428 1.00 0.00 O ATOM 0 H GLY A 30 -1.277 -7.610 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.701 -5.081 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.360 -5.764 -3.194 1.00 0.00 H new ATOM 516 N ALA A 31 1.979 -5.675 -4.393 1.00 0.00 N ATOM 517 CA ALA A 31 3.342 -5.992 -4.798 1.00 0.00 C ATOM 518 C ALA A 31 4.347 -5.555 -3.737 1.00 0.00 C ATOM 519 O ALA A 31 4.126 -4.575 -3.026 1.00 0.00 O ATOM 520 CB ALA A 31 3.662 -5.337 -6.133 1.00 0.00 C ATOM 0 H ALA A 31 1.893 -4.830 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 31 3.419 -7.074 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.684 -5.582 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.971 -5.703 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.561 -4.256 -6.041 1.00 0.00 H new ATOM 526 N PHE A 32 5.450 -6.289 -3.635 1.00 0.00 N ATOM 527 CA PHE A 32 6.488 -5.977 -2.659 1.00 0.00 C ATOM 528 C PHE A 32 7.581 -5.114 -3.285 1.00 0.00 C ATOM 529 O PHE A 32 8.110 -5.437 -4.348 1.00 0.00 O ATOM 530 CB PHE A 32 7.097 -7.266 -2.102 1.00 0.00 C ATOM 531 CG PHE A 32 6.132 -8.083 -1.292 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.037 -8.683 -1.893 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.319 -8.251 0.071 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.148 -9.437 -1.151 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.433 -9.003 0.818 1.00 0.00 C ATOM 536 CZ PHE A 32 4.345 -9.596 0.207 1.00 0.00 C ATOM 0 H PHE A 32 5.648 -7.104 -4.216 1.00 0.00 H new ATOM 0 HA PHE A 32 6.030 -5.417 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.467 -7.871 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.957 -7.014 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.877 -8.560 -2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.167 -7.789 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.300 -9.902 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.591 -9.127 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.650 -10.183 0.790 1.00 0.00 H new ATOM 546 N ILE A 33 7.911 -4.014 -2.616 1.00 0.00 N ATOM 547 CA ILE A 33 8.940 -3.104 -3.105 1.00 0.00 C ATOM 548 C ILE A 33 10.113 -3.028 -2.134 1.00 0.00 C ATOM 549 O ILE A 33 9.924 -2.907 -0.923 1.00 0.00 O ATOM 550 CB ILE A 33 8.379 -1.688 -3.328 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.185 -1.733 -4.283 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.463 -0.768 -3.868 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.529 -2.270 -5.655 1.00 0.00 C ATOM 0 H ILE A 33 7.481 -3.732 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 33 9.287 -3.502 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 33 8.039 -1.293 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.403 -2.353 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.775 -0.728 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.051 0.230 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.285 -0.716 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.831 -1.157 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.635 -2.273 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.289 -1.637 -6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.911 -3.287 -5.563 1.00 0.00 H new ATOM 565 N LYS A 34 11.326 -3.097 -2.673 1.00 0.00 N ATOM 566 CA LYS A 34 12.531 -3.033 -1.855 1.00 0.00 C ATOM 567 C LYS A 34 12.990 -1.589 -1.674 1.00 0.00 C ATOM 568 O LYS A 34 13.061 -0.826 -2.639 1.00 0.00 O ATOM 569 CB LYS A 34 13.651 -3.858 -2.494 1.00 0.00 C ATOM 570 CG LYS A 34 13.252 -5.293 -2.793 1.00 0.00 C ATOM 571 CD LYS A 34 14.454 -6.223 -2.766 1.00 0.00 C ATOM 572 CE LYS A 34 15.169 -6.247 -4.108 1.00 0.00 C ATOM 573 NZ LYS A 34 14.621 -7.299 -5.009 1.00 0.00 N ATOM 0 H LYS A 34 11.500 -3.197 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 34 12.296 -3.447 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.964 -3.376 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.514 -3.860 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.516 -5.627 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.774 -5.343 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.147 -5.901 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.130 -7.231 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.074 -5.273 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.233 -6.422 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.359 -7.604 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.308 -8.113 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.813 -6.915 -5.539 1.00 0.00 H new ATOM 587 N ILE A 35 13.301 -1.222 -0.436 1.00 0.00 N ATOM 588 CA ILE A 35 13.755 0.129 -0.131 1.00 0.00 C ATOM 589 C ILE A 35 15.273 0.231 -0.216 1.00 0.00 C ATOM 590 O ILE A 35 16.007 -0.646 0.242 1.00 0.00 O ATOM 591 CB ILE A 35 13.299 0.574 1.271 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.774 0.542 1.370 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.828 1.966 1.584 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.261 0.490 2.792 1.00 0.00 C ATOM 0 H ILE A 35 13.247 -1.841 0.373 1.00 0.00 H new ATOM 0 HA ILE A 35 13.307 0.787 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 35 13.706 -0.121 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.368 1.426 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.401 -0.326 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.497 2.266 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.917 1.957 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.449 2.674 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.171 0.469 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.638 -0.408 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.604 1.371 3.335 1.00 0.00 H new ATOM 606 N PRO A 36 15.761 1.328 -0.816 1.00 0.00 N ATOM 607 CA PRO A 36 17.198 1.572 -0.973 1.00 0.00 C ATOM 608 C PRO A 36 17.884 1.874 0.355 1.00 0.00 C ATOM 609 O PRO A 36 17.524 2.824 1.048 1.00 0.00 O ATOM 610 CB PRO A 36 17.251 2.794 -1.892 1.00 0.00 C ATOM 611 CG PRO A 36 15.955 3.494 -1.669 1.00 0.00 C ATOM 612 CD PRO A 36 14.946 2.414 -1.385 1.00 0.00 C ATOM 0 HA PRO A 36 17.719 0.700 -1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.096 3.438 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.367 2.500 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.026 4.191 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.669 4.075 -2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.182 2.752 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.430 2.097 -2.292 1.00 0.00 H new ATOM 620 N GLY A 37 18.872 1.057 0.704 1.00 0.00 N ATOM 621 CA GLY A 37 19.594 1.254 1.949 1.00 0.00 C ATOM 622 C GLY A 37 18.864 0.666 3.140 1.00 0.00 C ATOM 623 O GLY A 37 19.003 1.151 4.263 1.00 0.00 O ATOM 0 H GLY A 37 19.186 0.262 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.581 0.798 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.748 2.321 2.111 1.00 0.00 H new ATOM 627 N CYS A 38 18.082 -0.380 2.896 1.00 0.00 N ATOM 628 CA CYS A 38 17.326 -1.034 3.959 1.00 0.00 C ATOM 629 C CYS A 38 17.231 -2.536 3.713 1.00 0.00 C ATOM 630 O CYS A 38 17.495 -3.012 2.609 1.00 0.00 O ATOM 631 CB CYS A 38 15.923 -0.432 4.059 1.00 0.00 C ATOM 632 SG CYS A 38 15.902 1.315 4.524 1.00 0.00 S ATOM 0 H CYS A 38 17.955 -0.793 1.972 1.00 0.00 H new ATOM 0 HA CYS A 38 17.852 -0.871 4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.420 -0.548 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.347 -0.999 4.791 1.00 0.00 H new ATOM 0 HG CYS A 38 17.119 1.725 4.726 1.00 0.00 H new ATOM 638 N ARG A 39 16.855 -3.277 4.751 1.00 0.00 N ATOM 639 CA ARG A 39 16.728 -4.725 4.648 1.00 0.00 C ATOM 640 C ARG A 39 15.265 -5.136 4.511 1.00 0.00 C ATOM 641 O ARG A 39 14.924 -6.007 3.712 1.00 0.00 O ATOM 642 CB ARG A 39 17.346 -5.400 5.875 1.00 0.00 C ATOM 643 CG ARG A 39 17.360 -6.918 5.791 1.00 0.00 C ATOM 644 CD ARG A 39 18.631 -7.427 5.127 1.00 0.00 C ATOM 645 NE ARG A 39 19.829 -7.024 5.858 1.00 0.00 N ATOM 646 CZ ARG A 39 21.052 -7.054 5.338 1.00 0.00 C ATOM 647 NH1 ARG A 39 21.235 -7.464 4.091 1.00 0.00 N ATOM 648 NH2 ARG A 39 22.093 -6.671 6.066 1.00 0.00 N ATOM 0 H ARG A 39 16.633 -2.898 5.672 1.00 0.00 H new ATOM 0 HA ARG A 39 17.262 -5.048 3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.368 -5.042 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.791 -5.099 6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.277 -7.340 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.492 -7.261 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.595 -8.514 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.684 -7.047 4.107 1.00 0.00 H new ATOM 0 HE ARG A 39 19.722 -6.702 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.436 -7.757 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.174 -7.486 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 39 21.955 -6.353 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.031 -6.694 5.666 1.00 0.00 H new ATOM 662 N LYS A 40 14.403 -4.501 5.299 1.00 0.00 N ATOM 663 CA LYS A 40 12.975 -4.798 5.266 1.00 0.00 C ATOM 664 C LYS A 40 12.329 -4.230 4.006 1.00 0.00 C ATOM 665 O LYS A 40 12.766 -3.205 3.483 1.00 0.00 O ATOM 666 CB LYS A 40 12.286 -4.225 6.507 1.00 0.00 C ATOM 667 CG LYS A 40 10.845 -4.676 6.666 1.00 0.00 C ATOM 668 CD LYS A 40 10.761 -6.129 7.106 1.00 0.00 C ATOM 669 CE LYS A 40 9.317 -6.588 7.241 1.00 0.00 C ATOM 670 NZ LYS A 40 8.710 -6.907 5.919 1.00 0.00 N ATOM 0 H LYS A 40 14.668 -3.778 5.968 1.00 0.00 H new ATOM 0 HA LYS A 40 12.855 -5.881 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.849 -4.518 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.314 -3.136 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.343 -4.043 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.317 -4.550 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.278 -6.760 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.274 -6.252 8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.274 -7.469 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.733 -5.809 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.716 -7.183 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.758 -6.070 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.231 -7.691 5.478 1.00 0.00 H new ATOM 684 N GLN A 41 11.289 -4.903 3.525 1.00 0.00 N ATOM 685 CA GLN A 41 10.584 -4.464 2.328 1.00 0.00 C ATOM 686 C GLN A 41 9.142 -4.087 2.651 1.00 0.00 C ATOM 687 O GLN A 41 8.616 -4.451 3.702 1.00 0.00 O ATOM 688 CB GLN A 41 10.609 -5.563 1.264 1.00 0.00 C ATOM 689 CG GLN A 41 12.011 -6.028 0.902 1.00 0.00 C ATOM 690 CD GLN A 41 12.009 -7.160 -0.107 1.00 0.00 C ATOM 691 OE1 GLN A 41 13.196 -7.594 -0.512 1.00 0.00 O flip ATOM 692 NE2 GLN A 41 10.951 -7.639 -0.517 1.00 0.00 N flip ATOM 0 H GLN A 41 10.916 -5.754 3.946 1.00 0.00 H new ATOM 0 HA GLN A 41 11.093 -3.581 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.033 -6.417 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.113 -5.198 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.575 -5.187 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.526 -6.353 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.061 -7.274 -0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.965 -8.401 -1.195 1.00 0.00 H new ATOM 701 N GLY A 42 8.509 -3.353 1.740 1.00 0.00 N ATOM 702 CA GLY A 42 7.134 -2.938 1.949 1.00 0.00 C ATOM 703 C GLY A 42 6.183 -3.553 0.941 1.00 0.00 C ATOM 704 O GLY A 42 6.608 -4.028 -0.114 1.00 0.00 O ATOM 0 H GLY A 42 8.923 -3.039 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.822 -3.218 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.072 -1.852 1.886 1.00 0.00 H new ATOM 708 N LEU A 43 4.895 -3.546 1.263 1.00 0.00 N ATOM 709 CA LEU A 43 3.881 -4.108 0.377 1.00 0.00 C ATOM 710 C LEU A 43 2.915 -3.029 -0.099 1.00 0.00 C ATOM 711 O LEU A 43 2.504 -2.164 0.673 1.00 0.00 O ATOM 712 CB LEU A 43 3.110 -5.219 1.093 1.00 0.00 C ATOM 713 CG LEU A 43 1.818 -5.681 0.419 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.128 -6.461 -0.850 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.990 -6.526 1.376 1.00 0.00 C ATOM 0 H LEU A 43 4.527 -3.157 2.131 1.00 0.00 H new ATOM 0 HA LEU A 43 4.386 -4.527 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.769 -6.081 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.869 -4.876 2.099 1.00 0.00 H new ATOM 0 HG LEU A 43 1.237 -4.800 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.197 -6.782 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.680 -5.825 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.730 -7.335 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.074 -6.846 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.564 -7.402 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.738 -5.936 2.257 1.00 0.00 H new ATOM 727 N VAL A 44 2.554 -3.088 -1.377 1.00 0.00 N ATOM 728 CA VAL A 44 1.632 -2.118 -1.957 1.00 0.00 C ATOM 729 C VAL A 44 0.307 -2.772 -2.328 1.00 0.00 C ATOM 730 O VAL A 44 0.207 -3.469 -3.338 1.00 0.00 O ATOM 731 CB VAL A 44 2.232 -1.453 -3.209 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.209 -0.545 -3.875 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.492 -0.679 -2.851 1.00 0.00 C ATOM 0 H VAL A 44 2.886 -3.797 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 44 1.457 -1.355 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 44 2.504 -2.235 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.652 -0.084 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.339 -1.132 -4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.902 0.232 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.902 -0.216 -3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.249 0.094 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.229 -1.360 -2.425 1.00 0.00 H new ATOM 743 N HIS A 45 -0.711 -2.544 -1.503 1.00 0.00 N ATOM 744 CA HIS A 45 -2.033 -3.110 -1.744 1.00 0.00 C ATOM 745 C HIS A 45 -2.463 -2.889 -3.192 1.00 0.00 C ATOM 746 O HIS A 45 -2.038 -1.929 -3.835 1.00 0.00 O ATOM 747 CB HIS A 45 -3.058 -2.490 -0.794 1.00 0.00 C ATOM 748 CG HIS A 45 -4.185 -3.413 -0.444 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.450 -2.968 -0.127 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.232 -4.763 -0.365 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.227 -4.005 0.136 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.510 -5.107 -0.003 1.00 0.00 N ATOM 0 H HIS A 45 -0.645 -1.971 -0.662 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.981 -4.183 -1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.553 -2.183 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.466 -1.588 -1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.415 -5.444 -0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.269 -3.960 0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.851 -6.058 0.136 1.00 0.00 H new ATOM 760 N ARG A 46 -3.307 -3.782 -3.696 1.00 0.00 N ATOM 761 CA ARG A 46 -3.793 -3.685 -5.068 1.00 0.00 C ATOM 762 C ARG A 46 -4.518 -2.362 -5.295 1.00 0.00 C ATOM 763 O ARG A 46 -4.507 -1.816 -6.399 1.00 0.00 O ATOM 764 CB ARG A 46 -4.729 -4.852 -5.384 1.00 0.00 C ATOM 765 CG ARG A 46 -6.045 -4.802 -4.623 1.00 0.00 C ATOM 766 CD ARG A 46 -7.095 -4.003 -5.379 1.00 0.00 C ATOM 767 NE ARG A 46 -8.407 -4.087 -4.744 1.00 0.00 N ATOM 768 CZ ARG A 46 -9.551 -3.894 -5.393 1.00 0.00 C ATOM 769 NH1 ARG A 46 -9.543 -3.608 -6.687 1.00 0.00 N ATOM 770 NH2 ARG A 46 -10.705 -3.988 -4.745 1.00 0.00 N ATOM 0 H ARG A 46 -3.669 -4.581 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.932 -3.728 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.938 -4.860 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.220 -5.788 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.409 -5.816 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.883 -4.355 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.786 -2.959 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.163 -4.371 -6.403 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.448 -4.306 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.657 -3.535 -7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.422 -3.460 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.714 -4.208 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.583 -3.840 -5.243 1.00 0.00 H new ATOM 784 N THR A 47 -5.148 -1.849 -4.243 1.00 0.00 N ATOM 785 CA THR A 47 -5.881 -0.592 -4.327 1.00 0.00 C ATOM 786 C THR A 47 -4.944 0.568 -4.642 1.00 0.00 C ATOM 787 O THR A 47 -5.262 1.432 -5.461 1.00 0.00 O ATOM 788 CB THR A 47 -6.631 -0.290 -3.016 1.00 0.00 C ATOM 789 OG1 THR A 47 -5.695 -0.027 -1.965 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.527 -1.455 -2.625 1.00 0.00 C ATOM 0 H THR A 47 -5.165 -2.286 -3.321 1.00 0.00 H new ATOM 0 HA THR A 47 -6.606 -0.701 -5.134 1.00 0.00 H new ATOM 0 HB THR A 47 -7.254 0.590 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.566 -0.839 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.046 -1.219 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.258 -1.633 -3.414 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.920 -2.349 -2.484 1.00 0.00 H new ATOM 798 N HIS A 48 -3.788 0.585 -3.987 1.00 0.00 N ATOM 799 CA HIS A 48 -2.803 1.641 -4.199 1.00 0.00 C ATOM 800 C HIS A 48 -2.023 1.405 -5.489 1.00 0.00 C ATOM 801 O HIS A 48 -1.516 2.346 -6.100 1.00 0.00 O ATOM 802 CB HIS A 48 -1.840 1.714 -3.013 1.00 0.00 C ATOM 803 CG HIS A 48 -2.511 2.053 -1.717 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.844 3.340 -1.356 1.00 0.00 N ATOM 805 CD2 HIS A 48 -2.911 1.261 -0.694 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.419 3.328 -0.167 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.472 2.078 0.256 1.00 0.00 N ATOM 0 H HIS A 48 -3.510 -0.120 -3.305 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.335 2.589 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.331 0.756 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.074 2.461 -3.223 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.808 0.187 -0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.784 4.193 0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.866 1.770 1.145 1.00 0.00 H new ATOM 815 N MET A 49 -1.932 0.144 -5.897 1.00 0.00 N ATOM 816 CA MET A 49 -1.214 -0.214 -7.115 1.00 0.00 C ATOM 817 C MET A 49 -1.733 0.583 -8.307 1.00 0.00 C ATOM 818 O MET A 49 -0.990 0.874 -9.243 1.00 0.00 O ATOM 819 CB MET A 49 -1.349 -1.712 -7.391 1.00 0.00 C ATOM 820 CG MET A 49 -0.489 -2.578 -6.485 1.00 0.00 C ATOM 821 SD MET A 49 0.023 -4.116 -7.275 1.00 0.00 S ATOM 822 CE MET A 49 1.422 -3.550 -8.241 1.00 0.00 C ATOM 0 H MET A 49 -2.346 -0.647 -5.403 1.00 0.00 H new ATOM 0 HA MET A 49 -0.161 0.028 -6.970 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.393 -2.002 -7.273 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.080 -1.907 -8.429 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.396 -2.016 -6.185 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.044 -2.808 -5.576 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.221 -3.709 -9.300 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.585 -2.488 -8.058 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.313 -4.109 -7.953 1.00 0.00 H new ATOM 832 N SER A 50 -3.015 0.935 -8.265 1.00 0.00 N ATOM 833 CA SER A 50 -3.635 1.695 -9.344 1.00 0.00 C ATOM 834 C SER A 50 -4.217 3.005 -8.820 1.00 0.00 C ATOM 835 O SER A 50 -4.187 3.274 -7.620 1.00 0.00 O ATOM 836 CB SER A 50 -4.734 0.868 -10.013 1.00 0.00 C ATOM 837 OG SER A 50 -4.894 1.237 -11.372 1.00 0.00 O ATOM 0 H SER A 50 -3.644 0.706 -7.495 1.00 0.00 H new ATOM 0 HA SER A 50 -2.866 1.927 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.487 -0.192 -9.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.675 1.010 -9.481 1.00 0.00 H new ATOM 0 HG SER A 50 -5.806 1.028 -11.663 1.00 0.00 H new ATOM 843 N SER A 51 -4.746 3.815 -9.730 1.00 0.00 N ATOM 844 CA SER A 51 -5.332 5.099 -9.363 1.00 0.00 C ATOM 845 C SER A 51 -6.829 4.957 -9.100 1.00 0.00 C ATOM 846 O SER A 51 -7.352 5.497 -8.124 1.00 0.00 O ATOM 847 CB SER A 51 -5.093 6.129 -10.469 1.00 0.00 C ATOM 848 OG SER A 51 -5.736 5.744 -11.671 1.00 0.00 O ATOM 0 H SER A 51 -4.781 3.605 -10.728 1.00 0.00 H new ATOM 0 HA SER A 51 -4.850 5.442 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.464 7.103 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.023 6.238 -10.644 1.00 0.00 H new ATOM 0 HG SER A 51 -5.570 6.419 -12.362 1.00 0.00 H new ATOM 854 N CYS A 52 -7.510 4.229 -9.975 1.00 0.00 N ATOM 855 CA CYS A 52 -8.947 4.016 -9.839 1.00 0.00 C ATOM 856 C CYS A 52 -9.295 2.538 -9.990 1.00 0.00 C ATOM 857 O CYS A 52 -9.610 1.862 -9.011 1.00 0.00 O ATOM 858 CB CYS A 52 -9.707 4.840 -10.880 1.00 0.00 C ATOM 859 SG CYS A 52 -9.860 6.593 -10.466 1.00 0.00 S ATOM 0 H CYS A 52 -7.091 3.775 -10.787 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.244 4.341 -8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.201 4.748 -11.841 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.705 4.419 -11.003 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.515 7.206 -11.407 1.00 0.00 H new ATOM 865 N ARG A 53 -9.236 2.045 -11.223 1.00 0.00 N ATOM 866 CA ARG A 53 -9.548 0.648 -11.502 1.00 0.00 C ATOM 867 C ARG A 53 -8.292 -0.214 -11.427 1.00 0.00 C ATOM 868 O ARG A 53 -7.217 0.195 -11.868 1.00 0.00 O ATOM 869 CB ARG A 53 -10.191 0.514 -12.883 1.00 0.00 C ATOM 870 CG ARG A 53 -10.760 -0.869 -13.158 1.00 0.00 C ATOM 871 CD ARG A 53 -11.245 -0.997 -14.593 1.00 0.00 C ATOM 872 NE ARG A 53 -12.638 -0.586 -14.741 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.183 -0.236 -15.900 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.455 -0.249 -17.009 1.00 0.00 N ATOM 875 NH2 ARG A 53 -14.458 0.127 -15.953 1.00 0.00 N ATOM 0 H ARG A 53 -8.975 2.591 -12.044 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.252 0.300 -10.746 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.989 1.251 -12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.448 0.750 -13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.997 -1.623 -12.962 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.586 -1.066 -12.475 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.617 -0.388 -15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.136 -2.031 -14.921 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.225 -0.567 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.475 -0.528 -16.972 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.876 0.020 -17.898 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.021 0.137 -15.103 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.875 0.396 -16.844 1.00 0.00 H new ATOM 889 N VAL A 54 -8.434 -1.412 -10.868 1.00 0.00 N ATOM 890 CA VAL A 54 -7.311 -2.333 -10.735 1.00 0.00 C ATOM 891 C VAL A 54 -7.545 -3.603 -11.545 1.00 0.00 C ATOM 892 O VAL A 54 -7.725 -4.684 -10.983 1.00 0.00 O ATOM 893 CB VAL A 54 -7.066 -2.711 -9.263 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.780 -3.511 -9.124 1.00 0.00 C ATOM 895 CG2 VAL A 54 -7.026 -1.465 -8.391 1.00 0.00 C ATOM 0 H VAL A 54 -9.316 -1.768 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.431 -1.818 -11.119 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.893 -3.336 -8.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.623 -3.769 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.853 -4.424 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.940 -2.914 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.852 -1.752 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.221 -0.812 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.977 -0.937 -8.467 1.00 0.00 H new ATOM 905 N ASP A 55 -7.541 -3.466 -12.866 1.00 0.00 N ATOM 906 CA ASP A 55 -7.750 -4.603 -13.754 1.00 0.00 C ATOM 907 C ASP A 55 -6.902 -5.795 -13.320 1.00 0.00 C ATOM 908 O ASP A 55 -7.422 -6.878 -13.055 1.00 0.00 O ATOM 909 CB ASP A 55 -7.416 -4.221 -15.196 1.00 0.00 C ATOM 910 CG ASP A 55 -8.544 -3.465 -15.871 1.00 0.00 C ATOM 911 OD1 ASP A 55 -9.700 -3.928 -15.789 1.00 0.00 O ATOM 912 OD2 ASP A 55 -8.269 -2.410 -16.479 1.00 0.00 O ATOM 0 H ASP A 55 -7.395 -2.578 -13.346 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.801 -4.888 -13.697 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.514 -3.608 -15.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.195 -5.123 -15.766 1.00 0.00 H new ATOM 917 N LYS A 56 -5.591 -5.587 -13.252 1.00 0.00 N ATOM 918 CA LYS A 56 -4.668 -6.642 -12.851 1.00 0.00 C ATOM 919 C LYS A 56 -3.359 -6.054 -12.335 1.00 0.00 C ATOM 920 O LYS A 56 -2.653 -5.334 -13.041 1.00 0.00 O ATOM 921 CB LYS A 56 -4.389 -7.579 -14.029 1.00 0.00 C ATOM 922 CG LYS A 56 -5.354 -8.748 -14.120 1.00 0.00 C ATOM 923 CD LYS A 56 -4.870 -9.797 -15.107 1.00 0.00 C ATOM 924 CE LYS A 56 -5.934 -10.852 -15.365 1.00 0.00 C ATOM 925 NZ LYS A 56 -6.112 -11.758 -14.197 1.00 0.00 N ATOM 0 H LYS A 56 -5.144 -4.696 -13.470 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.133 -7.209 -12.045 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.436 -7.007 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.373 -7.964 -13.943 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.472 -9.201 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.336 -8.387 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.598 -9.316 -16.046 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.969 -10.274 -14.720 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.881 -10.364 -15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.658 -11.439 -16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.846 -12.463 -14.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.215 -12.243 -13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.400 -11.202 -13.367 1.00 0.00 H new ATOM 939 N PRO A 57 -3.026 -6.367 -11.074 1.00 0.00 N ATOM 940 CA PRO A 57 -1.798 -5.881 -10.436 1.00 0.00 C ATOM 941 C PRO A 57 -0.545 -6.517 -11.029 1.00 0.00 C ATOM 942 O PRO A 57 0.547 -5.954 -10.945 1.00 0.00 O ATOM 943 CB PRO A 57 -1.969 -6.300 -8.974 1.00 0.00 C ATOM 944 CG PRO A 57 -2.889 -7.470 -9.019 1.00 0.00 C ATOM 945 CD PRO A 57 -3.820 -7.220 -10.175 1.00 0.00 C ATOM 0 HA PRO A 57 -1.664 -4.808 -10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.012 -6.566 -8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.388 -5.490 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.334 -8.398 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.443 -7.567 -8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.116 -8.150 -10.661 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.735 -6.723 -9.854 1.00 0.00 H new ATOM 953 N SER A 58 -0.711 -7.691 -11.630 1.00 0.00 N ATOM 954 CA SER A 58 0.409 -8.404 -12.234 1.00 0.00 C ATOM 955 C SER A 58 0.799 -7.771 -13.566 1.00 0.00 C ATOM 956 O SER A 58 1.783 -8.171 -14.189 1.00 0.00 O ATOM 957 CB SER A 58 0.049 -9.876 -12.442 1.00 0.00 C ATOM 958 OG SER A 58 -0.752 -10.048 -13.599 1.00 0.00 O ATOM 0 H SER A 58 -1.609 -8.168 -11.712 1.00 0.00 H new ATOM 0 HA SER A 58 1.260 -8.337 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.960 -10.466 -12.536 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.484 -10.250 -11.568 1.00 0.00 H new ATOM 0 HG SER A 58 -0.967 -10.998 -13.710 1.00 0.00 H new ATOM 964 N GLU A 59 0.023 -6.782 -13.995 1.00 0.00 N ATOM 965 CA GLU A 59 0.287 -6.095 -15.253 1.00 0.00 C ATOM 966 C GLU A 59 0.791 -4.677 -15.003 1.00 0.00 C ATOM 967 O GLU A 59 1.431 -4.072 -15.865 1.00 0.00 O ATOM 968 CB GLU A 59 -0.978 -6.054 -16.114 1.00 0.00 C ATOM 969 CG GLU A 59 -1.467 -7.428 -16.542 1.00 0.00 C ATOM 970 CD GLU A 59 -0.651 -8.010 -17.679 1.00 0.00 C ATOM 971 OE1 GLU A 59 -0.711 -7.454 -18.797 1.00 0.00 O ATOM 972 OE2 GLU A 59 0.046 -9.020 -17.453 1.00 0.00 O ATOM 0 H GLU A 59 -0.794 -6.438 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 59 1.061 -6.649 -15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.770 -5.553 -15.558 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.783 -5.454 -17.003 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.429 -8.105 -15.689 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.511 -7.359 -16.847 1.00 0.00 H new ATOM 979 N ILE A 60 0.498 -4.152 -13.818 1.00 0.00 N ATOM 980 CA ILE A 60 0.921 -2.805 -13.453 1.00 0.00 C ATOM 981 C ILE A 60 2.423 -2.753 -13.191 1.00 0.00 C ATOM 982 O ILE A 60 3.091 -1.779 -13.540 1.00 0.00 O ATOM 983 CB ILE A 60 0.176 -2.299 -12.204 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.336 -2.396 -12.412 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.582 -0.868 -11.888 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.142 -1.912 -11.227 1.00 0.00 C ATOM 0 H ILE A 60 -0.031 -4.639 -13.094 1.00 0.00 H new ATOM 0 HA ILE A 60 0.678 -2.159 -14.297 1.00 0.00 H new ATOM 0 HB ILE A 60 0.449 -2.928 -11.357 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.612 -1.813 -13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.600 -3.433 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.047 -0.525 -11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.655 -0.827 -11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.336 -0.225 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.205 -2.010 -11.446 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.895 -2.511 -10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.907 -0.866 -11.030 1.00 0.00 H new ATOM 998 N VAL A 61 2.948 -3.808 -12.576 1.00 0.00 N ATOM 999 CA VAL A 61 4.371 -3.884 -12.271 1.00 0.00 C ATOM 1000 C VAL A 61 4.917 -5.282 -12.538 1.00 0.00 C ATOM 1001 O VAL A 61 4.165 -6.202 -12.865 1.00 0.00 O ATOM 1002 CB VAL A 61 4.651 -3.508 -10.803 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.973 -2.193 -10.450 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.191 -4.620 -9.872 1.00 0.00 C ATOM 0 H VAL A 61 2.409 -4.622 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 61 4.873 -3.170 -12.924 1.00 0.00 H new ATOM 0 HB VAL A 61 5.726 -3.380 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.182 -1.944 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.354 -1.402 -11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.896 -2.289 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.396 -4.338 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.120 -4.781 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.726 -5.539 -10.110 1.00 0.00 H new ATOM 1014 N ASP A 62 6.228 -5.437 -12.397 1.00 0.00 N ATOM 1015 CA ASP A 62 6.875 -6.724 -12.621 1.00 0.00 C ATOM 1016 C ASP A 62 8.260 -6.756 -11.980 1.00 0.00 C ATOM 1017 O ASP A 62 8.999 -5.772 -12.026 1.00 0.00 O ATOM 1018 CB ASP A 62 6.987 -7.009 -14.119 1.00 0.00 C ATOM 1019 CG ASP A 62 5.783 -6.509 -14.895 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.746 -5.303 -15.219 1.00 0.00 O ATOM 1021 OD2 ASP A 62 4.880 -7.323 -15.176 1.00 0.00 O ATOM 0 H ASP A 62 6.864 -4.687 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 62 6.261 -7.496 -12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.889 -6.537 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.096 -8.082 -14.275 1.00 0.00 H new ATOM 1026 N VAL A 63 8.605 -7.892 -11.384 1.00 0.00 N ATOM 1027 CA VAL A 63 9.900 -8.052 -10.734 1.00 0.00 C ATOM 1028 C VAL A 63 11.021 -7.482 -11.595 1.00 0.00 C ATOM 1029 O VAL A 63 11.170 -7.847 -12.761 1.00 0.00 O ATOM 1030 CB VAL A 63 10.200 -9.534 -10.436 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.544 -9.678 -9.741 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.088 -10.144 -9.596 1.00 0.00 C ATOM 0 H VAL A 63 8.005 -8.716 -11.338 1.00 0.00 H new ATOM 0 HA VAL A 63 9.852 -7.502 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 63 10.248 -10.074 -11.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.738 -10.731 -9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.330 -9.281 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.529 -9.125 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.316 -11.191 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.006 -9.603 -8.653 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.144 -10.076 -10.137 1.00 0.00 H new ATOM 1042 N GLY A 64 11.808 -6.582 -11.012 1.00 0.00 N ATOM 1043 CA GLY A 64 12.907 -5.975 -11.741 1.00 0.00 C ATOM 1044 C GLY A 64 12.627 -4.534 -12.115 1.00 0.00 C ATOM 1045 O GLY A 64 13.552 -3.753 -12.340 1.00 0.00 O ATOM 0 H GLY A 64 11.704 -6.263 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.811 -6.021 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.101 -6.551 -12.646 1.00 0.00 H new ATOM 1049 N ASP A 65 11.349 -4.180 -12.186 1.00 0.00 N ATOM 1050 CA ASP A 65 10.949 -2.822 -12.537 1.00 0.00 C ATOM 1051 C ASP A 65 11.024 -1.902 -11.322 1.00 0.00 C ATOM 1052 O ASP A 65 10.490 -2.217 -10.258 1.00 0.00 O ATOM 1053 CB ASP A 65 9.532 -2.816 -13.110 1.00 0.00 C ATOM 1054 CG ASP A 65 9.479 -3.351 -14.528 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.458 -3.147 -15.276 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.457 -3.972 -14.891 1.00 0.00 O ATOM 0 H ASP A 65 10.571 -4.815 -12.005 1.00 0.00 H new ATOM 0 HA ASP A 65 11.640 -2.451 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.883 -3.417 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.141 -1.799 -13.094 1.00 0.00 H new ATOM 1061 N LYS A 66 11.690 -0.765 -11.488 1.00 0.00 N ATOM 1062 CA LYS A 66 11.836 0.202 -10.406 1.00 0.00 C ATOM 1063 C LYS A 66 10.755 1.276 -10.488 1.00 0.00 C ATOM 1064 O LYS A 66 10.513 1.847 -11.551 1.00 0.00 O ATOM 1065 CB LYS A 66 13.220 0.852 -10.457 1.00 0.00 C ATOM 1066 CG LYS A 66 13.376 2.025 -9.506 1.00 0.00 C ATOM 1067 CD LYS A 66 14.616 2.843 -9.829 1.00 0.00 C ATOM 1068 CE LYS A 66 15.846 2.293 -9.124 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.476 1.184 -9.894 1.00 0.00 N ATOM 0 H LYS A 66 12.138 -0.490 -12.362 1.00 0.00 H new ATOM 0 HA LYS A 66 11.726 -0.329 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.974 0.101 -10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.416 1.191 -11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.493 2.662 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.437 1.658 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.783 2.843 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.457 3.879 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.571 3.094 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.567 1.935 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.497 1.161 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.049 0.279 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.322 1.337 -10.911 1.00 0.00 H new ATOM 1083 N VAL A 67 10.109 1.548 -9.358 1.00 0.00 N ATOM 1084 CA VAL A 67 9.057 2.555 -9.301 1.00 0.00 C ATOM 1085 C VAL A 67 9.130 3.354 -8.004 1.00 0.00 C ATOM 1086 O VAL A 67 9.848 2.984 -7.075 1.00 0.00 O ATOM 1087 CB VAL A 67 7.661 1.915 -9.420 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.534 1.150 -10.729 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.389 1.006 -8.232 1.00 0.00 C ATOM 0 H VAL A 67 10.297 1.084 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 67 9.214 3.225 -10.146 1.00 0.00 H new ATOM 0 HB VAL A 67 6.915 2.709 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.541 0.705 -10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.682 1.833 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.288 0.363 -10.765 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.398 0.562 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.139 0.216 -8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.434 1.587 -7.311 1.00 0.00 H new ATOM 1099 N TRP A 68 8.382 4.449 -7.949 1.00 0.00 N ATOM 1100 CA TRP A 68 8.361 5.301 -6.765 1.00 0.00 C ATOM 1101 C TRP A 68 7.172 4.962 -5.871 1.00 0.00 C ATOM 1102 O TRP A 68 6.078 4.679 -6.359 1.00 0.00 O ATOM 1103 CB TRP A 68 8.305 6.774 -7.172 1.00 0.00 C ATOM 1104 CG TRP A 68 9.581 7.270 -7.783 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.871 7.360 -9.114 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.737 7.744 -7.084 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.139 7.860 -9.285 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.691 8.104 -8.055 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.059 7.900 -5.733 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.944 8.609 -7.717 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.303 8.401 -5.399 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.233 8.752 -6.387 1.00 0.00 C ATOM 0 H TRP A 68 7.782 4.768 -8.710 1.00 0.00 H new ATOM 0 HA TRP A 68 9.277 5.121 -6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.491 6.917 -7.882 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.072 7.377 -6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.202 7.080 -9.914 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.596 8.023 -10.182 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.349 7.634 -4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.662 8.878 -8.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.563 8.524 -4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.196 9.143 -6.093 1.00 0.00 H new ATOM 1123 N VAL A 69 7.396 4.992 -4.561 1.00 0.00 N ATOM 1124 CA VAL A 69 6.341 4.689 -3.600 1.00 0.00 C ATOM 1125 C VAL A 69 6.412 5.621 -2.395 1.00 0.00 C ATOM 1126 O VAL A 69 7.451 6.221 -2.121 1.00 0.00 O ATOM 1127 CB VAL A 69 6.428 3.231 -3.113 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.268 2.267 -4.280 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.744 2.988 -2.389 1.00 0.00 C ATOM 0 H VAL A 69 8.297 5.223 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 69 5.391 4.836 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 69 5.614 3.053 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.332 1.241 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.298 2.425 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.059 2.444 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.788 1.952 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.574 3.184 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.814 3.653 -1.528 1.00 0.00 H new ATOM 1139 N LYS A 70 5.301 5.737 -1.678 1.00 0.00 N ATOM 1140 CA LYS A 70 5.235 6.594 -0.500 1.00 0.00 C ATOM 1141 C LYS A 70 4.648 5.840 0.689 1.00 0.00 C ATOM 1142 O LYS A 70 3.584 5.230 0.587 1.00 0.00 O ATOM 1143 CB LYS A 70 4.393 7.838 -0.795 1.00 0.00 C ATOM 1144 CG LYS A 70 4.186 8.733 0.415 1.00 0.00 C ATOM 1145 CD LYS A 70 2.863 9.478 0.337 1.00 0.00 C ATOM 1146 CE LYS A 70 1.698 8.589 0.744 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.404 9.325 0.718 1.00 0.00 N ATOM 0 H LYS A 70 4.432 5.248 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 70 6.250 6.901 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.875 8.414 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.421 7.526 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.213 8.131 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.005 9.449 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.898 10.353 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.708 9.841 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.642 7.733 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.873 8.197 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.373 8.669 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.423 10.086 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.257 9.735 -0.226 1.00 0.00 H new ATOM 1161 N LEU A 71 5.347 5.889 1.818 1.00 0.00 N ATOM 1162 CA LEU A 71 4.895 5.212 3.028 1.00 0.00 C ATOM 1163 C LEU A 71 3.575 5.798 3.519 1.00 0.00 C ATOM 1164 O LEU A 71 3.401 7.016 3.557 1.00 0.00 O ATOM 1165 CB LEU A 71 5.955 5.324 4.125 1.00 0.00 C ATOM 1166 CG LEU A 71 5.880 4.280 5.240 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.497 2.967 4.784 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.572 4.789 6.495 1.00 0.00 C ATOM 0 H LEU A 71 6.229 6.391 1.920 1.00 0.00 H new ATOM 0 HA LEU A 71 4.738 4.160 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.939 5.260 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.880 6.314 4.576 1.00 0.00 H new ATOM 0 HG LEU A 71 4.831 4.102 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.435 2.236 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.957 2.594 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.542 3.128 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.509 4.033 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.619 4.996 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.085 5.703 6.834 1.00 0.00 H new ATOM 1180 N ILE A 72 2.648 4.922 3.894 1.00 0.00 N ATOM 1181 CA ILE A 72 1.346 5.354 4.386 1.00 0.00 C ATOM 1182 C ILE A 72 1.144 4.944 5.840 1.00 0.00 C ATOM 1183 O ILE A 72 0.497 5.651 6.612 1.00 0.00 O ATOM 1184 CB ILE A 72 0.202 4.769 3.536 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.281 3.241 3.516 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.255 5.326 2.122 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.610 2.604 2.474 1.00 0.00 C ATOM 0 H ILE A 72 2.775 3.910 3.866 1.00 0.00 H new ATOM 0 HA ILE A 72 1.325 6.441 4.312 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.748 5.059 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.313 2.941 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.008 2.858 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.559 4.903 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.154 6.411 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.208 5.064 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.503 1.520 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.648 2.874 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.323 2.958 1.484 1.00 0.00 H new ATOM 1199 N GLY A 73 1.703 3.796 6.209 1.00 0.00 N ATOM 1200 CA GLY A 73 1.575 3.311 7.572 1.00 0.00 C ATOM 1201 C GLY A 73 2.674 2.338 7.947 1.00 0.00 C ATOM 1202 O GLY A 73 2.864 1.319 7.282 1.00 0.00 O ATOM 0 H GLY A 73 2.243 3.192 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.594 4.157 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.607 2.825 7.692 1.00 0.00 H new ATOM 1206 N ARG A 74 3.400 2.650 9.015 1.00 0.00 N ATOM 1207 CA ARG A 74 4.488 1.796 9.476 1.00 0.00 C ATOM 1208 C ARG A 74 4.143 1.151 10.816 1.00 0.00 C ATOM 1209 O ARG A 74 3.851 1.843 11.791 1.00 0.00 O ATOM 1210 CB ARG A 74 5.780 2.604 9.605 1.00 0.00 C ATOM 1211 CG ARG A 74 5.781 3.569 10.779 1.00 0.00 C ATOM 1212 CD ARG A 74 6.646 4.788 10.499 1.00 0.00 C ATOM 1213 NE ARG A 74 7.228 5.339 11.720 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.163 4.721 12.433 1.00 0.00 C ATOM 1215 NH1 ARG A 74 8.621 3.538 12.049 1.00 0.00 N ATOM 1216 NH2 ARG A 74 8.642 5.288 13.533 1.00 0.00 N ATOM 0 H ARG A 74 3.255 3.488 9.578 1.00 0.00 H new ATOM 0 HA ARG A 74 4.633 1.006 8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.619 1.917 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.941 3.165 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.760 3.887 10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.147 3.059 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.444 4.515 9.808 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.046 5.553 10.006 1.00 0.00 H new ATOM 0 HE ARG A 74 6.898 6.249 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.255 3.099 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.339 3.066 12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.292 6.199 13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.360 4.813 14.080 1.00 0.00 H new ATOM 1230 N GLU A 75 4.178 -0.177 10.854 1.00 0.00 N ATOM 1231 CA GLU A 75 3.867 -0.914 12.074 1.00 0.00 C ATOM 1232 C GLU A 75 4.943 -1.956 12.369 1.00 0.00 C ATOM 1233 O GLU A 75 5.239 -2.811 11.535 1.00 0.00 O ATOM 1234 CB GLU A 75 2.503 -1.596 11.951 1.00 0.00 C ATOM 1235 CG GLU A 75 1.342 -0.715 12.381 1.00 0.00 C ATOM 1236 CD GLU A 75 -0.002 -1.267 11.947 1.00 0.00 C ATOM 1237 OE1 GLU A 75 -0.602 -2.044 12.719 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -0.453 -0.922 10.835 1.00 0.00 O ATOM 0 H GLU A 75 4.418 -0.764 10.055 1.00 0.00 H new ATOM 0 HA GLU A 75 3.837 -0.203 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.352 -1.903 10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.504 -2.503 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.354 -0.609 13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.473 0.283 11.962 1.00 0.00 H new ATOM 1245 N MET A 76 5.525 -1.875 13.560 1.00 0.00 N ATOM 1246 CA MET A 76 6.568 -2.810 13.967 1.00 0.00 C ATOM 1247 C MET A 76 6.126 -3.624 15.179 1.00 0.00 C ATOM 1248 O MET A 76 5.938 -3.083 16.268 1.00 0.00 O ATOM 1249 CB MET A 76 7.860 -2.058 14.287 1.00 0.00 C ATOM 1250 CG MET A 76 8.368 -1.204 13.137 1.00 0.00 C ATOM 1251 SD MET A 76 9.456 0.125 13.685 1.00 0.00 S ATOM 1252 CE MET A 76 10.780 -0.814 14.445 1.00 0.00 C ATOM 0 H MET A 76 5.292 -1.171 14.261 1.00 0.00 H new ATOM 0 HA MET A 76 6.750 -3.495 13.139 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.694 -1.421 15.156 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.631 -2.778 14.562 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.903 -1.837 12.428 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.518 -0.776 12.605 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.591 -0.141 14.722 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.405 -1.316 15.337 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.151 -1.557 13.739 1.00 0.00 H new ATOM 1262 N LYS A 77 5.960 -4.928 14.982 1.00 0.00 N ATOM 1263 CA LYS A 77 5.541 -5.818 16.058 1.00 0.00 C ATOM 1264 C LYS A 77 6.617 -6.859 16.352 1.00 0.00 C ATOM 1265 O LYS A 77 7.286 -7.347 15.443 1.00 0.00 O ATOM 1266 CB LYS A 77 4.229 -6.514 15.690 1.00 0.00 C ATOM 1267 CG LYS A 77 3.561 -7.212 16.862 1.00 0.00 C ATOM 1268 CD LYS A 77 2.666 -6.262 17.640 1.00 0.00 C ATOM 1269 CE LYS A 77 2.345 -6.806 19.024 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.344 -5.962 19.734 1.00 0.00 N ATOM 0 H LYS A 77 6.110 -5.392 14.086 1.00 0.00 H new ATOM 0 HA LYS A 77 5.387 -5.217 16.954 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.540 -5.777 15.276 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.423 -7.245 14.905 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.971 -8.053 16.498 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.323 -7.621 17.525 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.156 -5.293 17.734 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.740 -6.099 17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.964 -7.823 18.935 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.260 -6.859 19.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.152 -6.366 20.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.717 -4.997 19.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.462 -5.932 19.184 1.00 0.00 H new ATOM 1284 N ASN A 78 6.774 -7.196 17.629 1.00 0.00 N ATOM 1285 CA ASN A 78 7.767 -8.180 18.042 1.00 0.00 C ATOM 1286 C ASN A 78 7.504 -9.530 17.379 1.00 0.00 C ATOM 1287 O ASN A 78 8.360 -10.415 17.390 1.00 0.00 O ATOM 1288 CB ASN A 78 7.758 -8.336 19.564 1.00 0.00 C ATOM 1289 CG ASN A 78 7.668 -7.004 20.281 1.00 0.00 C ATOM 1290 OD1 ASN A 78 8.268 -6.016 19.857 1.00 0.00 O ATOM 1291 ND2 ASN A 78 6.917 -6.970 21.376 1.00 0.00 N ATOM 0 H ASN A 78 6.226 -6.802 18.394 1.00 0.00 H new ATOM 0 HA ASN A 78 8.748 -7.825 17.726 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.915 -8.961 19.857 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.664 -8.854 19.879 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.820 -6.101 21.901 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.437 -7.813 21.692 1.00 0.00 H new ATOM 1298 N ASP A 79 6.317 -9.679 16.804 1.00 0.00 N ATOM 1299 CA ASP A 79 5.941 -10.918 16.135 1.00 0.00 C ATOM 1300 C ASP A 79 6.196 -10.825 14.634 1.00 0.00 C ATOM 1301 O ASP A 79 6.478 -11.829 13.978 1.00 0.00 O ATOM 1302 CB ASP A 79 4.468 -11.238 16.395 1.00 0.00 C ATOM 1303 CG ASP A 79 4.223 -11.723 17.810 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.734 -11.084 18.754 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.520 -12.743 17.974 1.00 0.00 O ATOM 0 H ASP A 79 5.597 -8.956 16.788 1.00 0.00 H new ATOM 0 HA ASP A 79 6.556 -11.721 16.541 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.867 -10.347 16.210 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.135 -11.999 15.690 1.00 0.00 H new ATOM 1310 N ARG A 80 6.094 -9.613 14.096 1.00 0.00 N ATOM 1311 CA ARG A 80 6.312 -9.390 12.672 1.00 0.00 C ATOM 1312 C ARG A 80 6.252 -7.902 12.340 1.00 0.00 C ATOM 1313 O ARG A 80 5.648 -7.116 13.071 1.00 0.00 O ATOM 1314 CB ARG A 80 5.270 -10.149 11.849 1.00 0.00 C ATOM 1315 CG ARG A 80 3.836 -9.777 12.191 1.00 0.00 C ATOM 1316 CD ARG A 80 2.873 -10.208 11.095 1.00 0.00 C ATOM 1317 NE ARG A 80 2.932 -11.646 10.848 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.037 -12.304 10.120 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.021 -11.657 9.569 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.159 -13.614 9.941 1.00 0.00 N ATOM 0 H ARG A 80 5.862 -8.772 14.625 1.00 0.00 H new ATOM 0 HA ARG A 80 7.305 -9.762 12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.444 -9.956 10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.406 -11.219 12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.552 -10.247 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.763 -8.699 12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.857 -9.930 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.108 -9.672 10.175 1.00 0.00 H new ATOM 0 HE ARG A 80 3.703 -12.174 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.924 -10.651 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.335 -12.165 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.941 -14.116 10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.471 -14.119 9.382 1.00 0.00 H new ATOM 1334 N ILE A 81 6.883 -7.521 11.234 1.00 0.00 N ATOM 1335 CA ILE A 81 6.901 -6.128 10.807 1.00 0.00 C ATOM 1336 C ILE A 81 6.061 -5.928 9.549 1.00 0.00 C ATOM 1337 O ILE A 81 6.225 -6.643 8.560 1.00 0.00 O ATOM 1338 CB ILE A 81 8.336 -5.641 10.535 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.188 -5.761 11.800 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.322 -4.204 10.034 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.660 -5.505 11.564 1.00 0.00 C ATOM 0 H ILE A 81 7.388 -8.158 10.618 1.00 0.00 H new ATOM 0 HA ILE A 81 6.476 -5.542 11.622 1.00 0.00 H new ATOM 0 HB ILE A 81 8.777 -6.271 9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.820 -5.055 12.545 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.064 -6.760 12.219 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.344 -3.874 9.846 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.747 -4.146 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.866 -3.561 10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.202 -5.607 12.504 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.044 -6.227 10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.796 -4.496 11.174 1.00 0.00 H new ATOM 1353 N LYS A 82 5.162 -4.951 9.593 1.00 0.00 N ATOM 1354 CA LYS A 82 4.298 -4.654 8.458 1.00 0.00 C ATOM 1355 C LYS A 82 4.543 -3.239 7.944 1.00 0.00 C ATOM 1356 O LYS A 82 4.531 -2.277 8.713 1.00 0.00 O ATOM 1357 CB LYS A 82 2.829 -4.817 8.852 1.00 0.00 C ATOM 1358 CG LYS A 82 2.320 -6.243 8.726 1.00 0.00 C ATOM 1359 CD LYS A 82 0.991 -6.427 9.439 1.00 0.00 C ATOM 1360 CE LYS A 82 0.674 -7.898 9.657 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.089 -8.476 8.516 1.00 0.00 N ATOM 0 H LYS A 82 5.013 -4.351 10.404 1.00 0.00 H new ATOM 0 HA LYS A 82 4.534 -5.358 7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.698 -4.483 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.219 -4.166 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.207 -6.498 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.056 -6.931 9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.018 -5.913 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.196 -5.965 8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.602 -8.453 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.098 -8.013 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.019 -8.801 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.219 -7.751 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.437 -9.280 8.119 1.00 0.00 H new ATOM 1375 N VAL A 83 4.763 -3.117 6.638 1.00 0.00 N ATOM 1376 CA VAL A 83 5.007 -1.819 6.021 1.00 0.00 C ATOM 1377 C VAL A 83 4.136 -1.625 4.785 1.00 0.00 C ATOM 1378 O VAL A 83 4.235 -2.383 3.819 1.00 0.00 O ATOM 1379 CB VAL A 83 6.486 -1.655 5.625 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.712 -0.314 4.946 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.384 -1.802 6.845 1.00 0.00 C ATOM 0 H VAL A 83 4.777 -3.902 5.987 1.00 0.00 H new ATOM 0 HA VAL A 83 4.752 -1.063 6.763 1.00 0.00 H new ATOM 0 HB VAL A 83 6.743 -2.442 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.763 -0.217 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.097 -0.253 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.438 0.490 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.426 -1.683 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.128 -1.039 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.243 -2.790 7.284 1.00 0.00 H new ATOM 1391 N SER A 84 3.285 -0.606 4.821 1.00 0.00 N ATOM 1392 CA SER A 84 2.394 -0.314 3.704 1.00 0.00 C ATOM 1393 C SER A 84 2.925 0.852 2.875 1.00 0.00 C ATOM 1394 O SER A 84 3.338 1.877 3.419 1.00 0.00 O ATOM 1395 CB SER A 84 0.989 0.007 4.215 1.00 0.00 C ATOM 1396 OG SER A 84 0.282 -1.176 4.545 1.00 0.00 O ATOM 0 H SER A 84 3.193 0.032 5.612 1.00 0.00 H new ATOM 0 HA SER A 84 2.348 -1.198 3.068 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.056 0.650 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.440 0.562 3.454 1.00 0.00 H new ATOM 0 HG SER A 84 -0.612 -0.943 4.871 1.00 0.00 H new ATOM 1402 N LEU A 85 2.910 0.688 1.557 1.00 0.00 N ATOM 1403 CA LEU A 85 3.390 1.726 0.652 1.00 0.00 C ATOM 1404 C LEU A 85 2.336 2.064 -0.397 1.00 0.00 C ATOM 1405 O LEU A 85 1.439 1.266 -0.668 1.00 0.00 O ATOM 1406 CB LEU A 85 4.682 1.276 -0.033 1.00 0.00 C ATOM 1407 CG LEU A 85 5.816 0.836 0.893 1.00 0.00 C ATOM 1408 CD1 LEU A 85 7.025 0.393 0.084 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.192 1.962 1.845 1.00 0.00 C ATOM 0 H LEU A 85 2.571 -0.154 1.091 1.00 0.00 H new ATOM 0 HA LEU A 85 3.591 2.621 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.445 0.449 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.044 2.095 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 85 5.470 -0.013 1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.822 0.083 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.747 -0.444 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.374 1.222 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.001 1.632 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.519 2.829 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.326 2.232 2.449 1.00 0.00 H new ATOM 1421 N SER A 86 2.451 3.251 -0.984 1.00 0.00 N ATOM 1422 CA SER A 86 1.506 3.695 -2.003 1.00 0.00 C ATOM 1423 C SER A 86 2.204 3.881 -3.346 1.00 0.00 C ATOM 1424 O SER A 86 3.378 4.247 -3.402 1.00 0.00 O ATOM 1425 CB SER A 86 0.841 5.004 -1.574 1.00 0.00 C ATOM 1426 OG SER A 86 -0.349 5.237 -2.308 1.00 0.00 O ATOM 0 H SER A 86 3.189 3.923 -0.772 1.00 0.00 H new ATOM 0 HA SER A 86 0.741 2.927 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.613 4.968 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.533 5.833 -1.724 1.00 0.00 H new ATOM 0 HG SER A 86 -1.052 4.631 -1.992 1.00 0.00 H new ATOM 1432 N MET A 87 1.472 3.628 -4.426 1.00 0.00 N ATOM 1433 CA MET A 87 2.019 3.769 -5.771 1.00 0.00 C ATOM 1434 C MET A 87 1.166 4.714 -6.609 1.00 0.00 C ATOM 1435 O MET A 87 1.636 5.283 -7.594 1.00 0.00 O ATOM 1436 CB MET A 87 2.109 2.403 -6.453 1.00 0.00 C ATOM 1437 CG MET A 87 3.307 1.579 -6.009 1.00 0.00 C ATOM 1438 SD MET A 87 3.427 0.003 -6.877 1.00 0.00 S ATOM 1439 CE MET A 87 3.724 0.561 -8.553 1.00 0.00 C ATOM 0 H MET A 87 0.499 3.324 -4.396 1.00 0.00 H new ATOM 0 HA MET A 87 3.020 4.192 -5.687 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.197 1.843 -6.247 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.158 2.548 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.219 2.152 -6.176 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.239 1.395 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.839 0.374 -9.161 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.942 1.629 -8.548 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.573 0.020 -8.972 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.092 4.878 -6.212 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.012 5.755 -6.926 1.00 0.00 C ATOM 1451 C LYS A 88 -0.816 7.208 -6.504 1.00 0.00 C ATOM 1452 O LYS A 88 -1.178 8.131 -7.234 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.459 5.329 -6.668 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.042 5.898 -5.385 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.403 5.298 -5.077 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.749 5.431 -3.602 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.050 4.783 -3.278 1.00 0.00 N ATOM 0 H LYS A 88 -0.497 4.414 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.800 5.672 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.077 5.644 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.507 4.241 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.361 5.702 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.132 6.981 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.165 5.795 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.411 4.245 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.959 4.980 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.792 6.486 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.156 4.714 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.828 5.352 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.076 3.830 -3.693 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.240 7.405 -5.322 1.00 0.00 N ATOM 1472 CA VAL A 89 0.006 8.745 -4.804 1.00 0.00 C ATOM 1473 C VAL A 89 1.442 9.181 -5.071 1.00 0.00 C ATOM 1474 O VAL A 89 1.895 10.206 -4.561 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.270 8.822 -3.291 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.705 8.418 -2.988 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.712 7.947 -2.526 1.00 0.00 C ATOM 0 H VAL A 89 0.065 6.652 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.678 9.416 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.133 9.853 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.881 8.479 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.389 9.090 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.874 7.396 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.503 8.013 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.608 6.912 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.729 8.288 -2.718 1.00 0.00 H new ATOM 1487 N VAL A 90 2.153 8.397 -5.874 1.00 0.00 N ATOM 1488 CA VAL A 90 3.539 8.703 -6.211 1.00 0.00 C ATOM 1489 C VAL A 90 3.760 8.664 -7.719 1.00 0.00 C ATOM 1490 O VAL A 90 3.395 7.696 -8.385 1.00 0.00 O ATOM 1491 CB VAL A 90 4.511 7.718 -5.536 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.944 8.216 -5.653 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.130 7.507 -4.078 1.00 0.00 C ATOM 0 H VAL A 90 1.793 7.545 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 90 3.739 9.709 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 90 4.441 6.759 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.616 7.507 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.211 8.311 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.032 9.188 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.828 6.808 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.169 8.460 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.120 7.102 -4.021 1.00 0.00 H new ATOM 1503 N ASN A 91 4.358 9.725 -8.251 1.00 0.00 N ATOM 1504 CA ASN A 91 4.627 9.813 -9.682 1.00 0.00 C ATOM 1505 C ASN A 91 5.669 8.780 -10.103 1.00 0.00 C ATOM 1506 O ASN A 91 6.665 8.571 -9.413 1.00 0.00 O ATOM 1507 CB ASN A 91 5.111 11.218 -10.045 1.00 0.00 C ATOM 1508 CG ASN A 91 4.787 11.588 -11.480 1.00 0.00 C ATOM 1509 OD1 ASN A 91 3.742 11.208 -12.010 1.00 0.00 O ATOM 1510 ND2 ASN A 91 5.684 12.331 -12.116 1.00 0.00 N ATOM 0 H ASN A 91 4.665 10.535 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 91 3.699 9.606 -10.215 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.651 11.943 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.188 11.279 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.521 12.610 -13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.536 12.623 -11.637 1.00 0.00 H new ATOM 1517 N GLN A 92 5.429 8.138 -11.242 1.00 0.00 N ATOM 1518 CA GLN A 92 6.345 7.127 -11.756 1.00 0.00 C ATOM 1519 C GLN A 92 7.263 7.716 -12.822 1.00 0.00 C ATOM 1520 O GLN A 92 7.440 7.135 -13.892 1.00 0.00 O ATOM 1521 CB GLN A 92 5.564 5.947 -12.335 1.00 0.00 C ATOM 1522 CG GLN A 92 4.604 5.307 -11.343 1.00 0.00 C ATOM 1523 CD GLN A 92 5.216 5.138 -9.967 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.405 4.848 -9.834 1.00 0.00 O ATOM 1525 NE2 GLN A 92 4.402 5.317 -8.932 1.00 0.00 N ATOM 0 H GLN A 92 4.608 8.300 -11.826 1.00 0.00 H new ATOM 0 HA GLN A 92 6.959 6.775 -10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.002 6.286 -13.205 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.268 5.192 -12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.706 5.920 -11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.293 4.333 -11.721 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.423 5.557 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.756 5.215 -7.981 1.00 0.00 H new ATOM 1534 N GLY A 93 7.845 8.873 -12.521 1.00 0.00 N ATOM 1535 CA GLY A 93 8.737 9.522 -13.464 1.00 0.00 C ATOM 1536 C GLY A 93 9.694 10.484 -12.790 1.00 0.00 C ATOM 1537 O GLY A 93 10.862 10.580 -13.169 1.00 0.00 O ATOM 0 H GLY A 93 7.715 9.372 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.307 8.764 -14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.147 10.061 -14.205 1.00 0.00 H new ATOM 1541 N THR A 94 9.199 11.202 -11.787 1.00 0.00 N ATOM 1542 CA THR A 94 10.016 12.165 -11.059 1.00 0.00 C ATOM 1543 C THR A 94 10.120 11.795 -9.584 1.00 0.00 C ATOM 1544 O THR A 94 11.140 12.043 -8.942 1.00 0.00 O ATOM 1545 CB THR A 94 9.447 13.591 -11.180 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.122 13.636 -10.638 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.421 14.043 -12.632 1.00 0.00 C ATOM 0 H THR A 94 8.235 11.135 -11.460 1.00 0.00 H new ATOM 0 HA THR A 94 11.009 12.139 -11.508 1.00 0.00 H new ATOM 0 HB THR A 94 10.093 14.265 -10.618 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.767 14.546 -10.717 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.015 15.053 -12.691 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.434 14.035 -13.034 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.795 13.366 -13.213 1.00 0.00 H new ATOM 1555 N GLY A 95 9.058 11.197 -9.052 1.00 0.00 N ATOM 1556 CA GLY A 95 9.052 10.801 -7.656 1.00 0.00 C ATOM 1557 C GLY A 95 8.494 11.881 -6.750 1.00 0.00 C ATOM 1558 O GLY A 95 8.860 11.968 -5.578 1.00 0.00 O ATOM 0 H GLY A 95 8.202 10.980 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.460 9.893 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.069 10.560 -7.345 1.00 0.00 H new ATOM 1562 N LYS A 96 7.606 12.708 -7.294 1.00 0.00 N ATOM 1563 CA LYS A 96 6.997 13.788 -6.528 1.00 0.00 C ATOM 1564 C LYS A 96 5.666 13.347 -5.929 1.00 0.00 C ATOM 1565 O LYS A 96 4.878 12.661 -6.580 1.00 0.00 O ATOM 1566 CB LYS A 96 6.786 15.015 -7.417 1.00 0.00 C ATOM 1567 CG LYS A 96 6.792 16.329 -6.654 1.00 0.00 C ATOM 1568 CD LYS A 96 8.197 16.897 -6.534 1.00 0.00 C ATOM 1569 CE LYS A 96 8.533 17.803 -7.708 1.00 0.00 C ATOM 1570 NZ LYS A 96 9.110 17.040 -8.850 1.00 0.00 N ATOM 0 H LYS A 96 7.293 12.650 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 96 7.673 14.048 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.568 15.042 -8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.836 14.914 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.150 17.049 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.374 16.175 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.286 17.457 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.918 16.081 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.632 18.322 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.241 18.567 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.671 17.680 -9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.721 16.281 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.341 16.625 -9.414 1.00 0.00 H new ATOM 1584 N ASP A 97 5.422 13.746 -4.686 1.00 0.00 N ATOM 1585 CA ASP A 97 4.184 13.393 -3.999 1.00 0.00 C ATOM 1586 C ASP A 97 2.973 13.947 -4.743 1.00 0.00 C ATOM 1587 O ASP A 97 2.816 15.162 -4.877 1.00 0.00 O ATOM 1588 CB ASP A 97 4.203 13.923 -2.564 1.00 0.00 C ATOM 1589 CG ASP A 97 3.260 13.160 -1.653 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.467 12.345 -2.169 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.317 13.379 -0.425 1.00 0.00 O ATOM 0 H ASP A 97 6.064 14.314 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 97 4.107 12.306 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.217 13.858 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.928 14.978 -2.565 1.00 0.00 H new ATOM 1596 N LEU A 98 2.120 13.050 -5.226 1.00 0.00 N ATOM 1597 CA LEU A 98 0.923 13.449 -5.958 1.00 0.00 C ATOM 1598 C LEU A 98 -0.206 13.813 -4.999 1.00 0.00 C ATOM 1599 O LEU A 98 -0.967 14.748 -5.247 1.00 0.00 O ATOM 1600 CB LEU A 98 0.473 12.323 -6.890 1.00 0.00 C ATOM 1601 CG LEU A 98 1.484 11.884 -7.950 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.023 10.605 -8.631 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.696 12.989 -8.974 1.00 0.00 C ATOM 0 H LEU A 98 2.235 12.042 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 98 1.167 14.329 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.215 11.456 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.439 12.640 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 98 2.435 11.685 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.755 10.308 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.923 9.813 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.059 10.775 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.418 12.659 -9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.749 13.219 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.073 13.881 -8.474 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.307 13.069 -3.903 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.340 13.315 -2.904 1.00 0.00 C ATOM 1617 C ASP A 99 -0.720 13.691 -1.562 1.00 0.00 C ATOM 1618 O ASP A 99 -0.621 12.875 -0.646 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.228 12.080 -2.742 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.025 12.105 -1.453 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.938 12.949 -1.337 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -2.737 11.280 -0.562 1.00 0.00 O ATOM 0 H ASP A 99 0.314 12.290 -3.684 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.951 14.149 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.913 12.015 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.607 11.184 -2.765 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.292 14.956 -1.440 1.00 0.00 N ATOM 1628 CA PRO A 100 0.326 15.468 -0.215 1.00 0.00 C ATOM 1629 C PRO A 100 -0.675 15.595 0.930 1.00 0.00 C ATOM 1630 O PRO A 100 -0.291 15.797 2.081 1.00 0.00 O ATOM 1631 CB PRO A 100 0.842 16.850 -0.627 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.029 17.254 -1.767 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.379 15.984 -2.491 1.00 0.00 C ATOM 0 HA PRO A 100 1.103 14.801 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.772 17.561 0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.890 16.809 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.926 17.761 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.490 17.949 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.378 16.031 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.314 15.783 -3.308 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.957 15.473 0.604 1.00 0.00 N ATOM 1642 CA ASN A 101 -3.013 15.573 1.606 1.00 0.00 C ATOM 1643 C ASN A 101 -3.067 14.315 2.467 1.00 0.00 C ATOM 1644 O ASN A 101 -3.186 14.391 3.689 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.366 15.801 0.930 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.279 16.783 -0.222 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.609 16.526 -1.223 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.958 17.916 -0.086 1.00 0.00 N ATOM 0 H ASN A 101 -2.290 15.305 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.789 16.423 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.751 14.849 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.079 16.171 1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.937 18.615 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.500 18.087 0.761 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.977 13.157 1.820 1.00 0.00 N ATOM 1656 CA ASN A 102 -3.016 11.881 2.527 1.00 0.00 C ATOM 1657 C ASN A 102 -4.418 11.594 3.052 1.00 0.00 C ATOM 1658 O ASN A 102 -4.588 11.127 4.178 1.00 0.00 O ATOM 1659 CB ASN A 102 -2.016 11.886 3.685 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.712 12.571 3.321 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.080 12.045 2.540 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.485 13.749 3.887 1.00 0.00 N ATOM 0 H ASN A 102 -2.877 13.076 0.808 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.743 11.095 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.461 12.390 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.811 10.859 3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.375 14.257 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -1.171 14.147 4.529 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.423 11.873 2.227 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.811 11.642 2.606 1.00 0.00 C ATOM 1671 C VAL A 103 -7.358 10.380 1.949 1.00 0.00 C ATOM 1672 O VAL A 103 -8.217 9.698 2.510 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.704 12.837 2.221 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -9.153 12.563 2.595 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -7.206 14.111 2.885 1.00 0.00 C ATOM 0 H VAL A 103 -5.301 12.260 1.291 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.827 11.520 3.689 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.652 12.974 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.769 13.418 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.503 11.676 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.226 12.399 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.849 14.944 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.227 13.989 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.185 14.314 2.562 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.855 10.074 0.758 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.292 8.892 0.026 1.00 0.00 C ATOM 1687 C ILE A 104 -6.927 7.615 0.776 1.00 0.00 C ATOM 1688 O ILE A 104 -7.798 6.823 1.134 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.672 8.843 -1.383 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.163 10.024 -2.222 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.012 7.525 -2.065 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.292 11.255 -2.098 1.00 0.00 C ATOM 0 H ILE A 104 -6.145 10.628 0.280 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.376 8.959 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.588 8.914 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.206 9.723 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.180 10.276 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.567 7.505 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.618 6.698 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.094 7.428 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.699 12.053 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.269 11.581 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.280 11.019 -2.427 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.633 7.423 1.009 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.153 6.243 1.719 1.00 0.00 C ATOM 1706 C ILE A 105 -5.995 5.967 2.960 1.00 0.00 C ATOM 1707 O ILE A 105 -6.172 4.816 3.357 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.679 6.398 2.137 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.524 7.560 3.119 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.801 6.613 0.913 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.644 7.145 4.569 1.00 0.00 C ATOM 0 H ILE A 105 -4.899 8.068 0.717 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.240 5.403 1.029 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.360 5.482 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.553 8.030 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.281 8.313 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.762 6.721 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.892 5.757 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.119 7.516 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.524 8.019 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.625 6.702 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.870 6.414 4.804 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.512 7.031 3.566 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.337 6.903 4.762 1.00 0.00 C ATOM 1725 C GLU A 106 -8.771 6.532 4.396 1.00 0.00 C ATOM 1726 O GLU A 106 -9.377 7.143 3.516 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.324 8.208 5.559 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.319 8.230 6.707 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.757 7.625 7.978 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.608 7.956 8.336 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.468 6.822 8.617 1.00 0.00 O ATOM 0 H GLU A 106 -6.374 7.991 3.249 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.919 6.106 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.322 8.372 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.541 9.037 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.621 9.259 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.216 7.684 6.415 1.00 0.00 H new