USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.31) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= -7.72! C(o=-9.4!,f=-7.7!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.538 X(o=-9.3,f=-9.5) USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 48 HIS :FLIP no HE2:sc= -4.72! C(o=-11!,f=-9.3!) USER MOD Set 3.4: A 86 SER OG : rot 140:sc= -4.01! USER MOD Set 4.1: A 25 MET CE :methyl -110:sc= -0.357 (180deg=-3.96!) USER MOD Set 4.2: A 29 TYR OH : rot 180:sc= -1.36! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.958 USER MOD Single : A 27 THR OG1 : rot 150:sc= 3.05 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 24:sc= 0.219 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -2.03! C(o=-2!,f=-2.5!) USER MOD Single : A 49 MET CE :methyl 150:sc= -0.202 (180deg=-0.299) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0306 (180deg=-0.288) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= 0.0224 (180deg=-0.457) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -151:sc= -0.205 (180deg=-0.842) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 143:sc= -0.792 (180deg=-2.84!) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -0.709 (180deg=-0.831) USER MOD Single : A 91 ASN : amide:sc= -0.0632 K(o=-0.063,f=-3.6!) USER MOD Single : A 92 GLN : amide:sc= -1.07 K(o=-1.1,f=-4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -3.12! C(o=-3.1!,f=-11!) USER MOD Single : A 102 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.652 2.210 8.152 1.00 0.00 N ATOM 229 CA LEU A 12 13.474 2.450 7.325 1.00 0.00 C ATOM 230 C LEU A 12 13.115 3.933 7.306 1.00 0.00 C ATOM 231 O LEU A 12 13.399 4.677 8.244 1.00 0.00 O ATOM 232 CB LEU A 12 12.288 1.634 7.842 1.00 0.00 C ATOM 233 CG LEU A 12 12.265 0.158 7.444 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.338 -0.627 8.359 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.840 0.004 5.991 1.00 0.00 C ATOM 0 HA LEU A 12 13.706 2.137 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.276 1.697 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.369 2.100 7.486 1.00 0.00 H new ATOM 0 HG LEU A 12 13.273 -0.243 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.334 -1.675 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.687 -0.544 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.328 -0.225 8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.829 -1.053 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.842 0.422 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.544 0.533 5.348 1.00 0.00 H new ATOM 247 N PRO A 13 12.475 4.372 6.212 1.00 0.00 N ATOM 248 CA PRO A 13 12.062 5.769 6.044 1.00 0.00 C ATOM 249 C PRO A 13 10.924 6.152 6.985 1.00 0.00 C ATOM 250 O PRO A 13 10.319 5.294 7.625 1.00 0.00 O ATOM 251 CB PRO A 13 11.594 5.829 4.588 1.00 0.00 C ATOM 252 CG PRO A 13 11.190 4.433 4.262 1.00 0.00 C ATOM 253 CD PRO A 13 12.106 3.540 5.055 1.00 0.00 C ATOM 0 HA PRO A 13 12.870 6.464 6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.760 6.521 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.391 6.174 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.148 4.257 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.285 4.239 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.605 2.622 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.981 3.246 4.476 1.00 0.00 H new ATOM 261 N ALA A 14 10.639 7.449 7.063 1.00 0.00 N ATOM 262 CA ALA A 14 9.572 7.946 7.923 1.00 0.00 C ATOM 263 C ALA A 14 8.214 7.813 7.245 1.00 0.00 C ATOM 264 O ALA A 14 8.126 7.424 6.079 1.00 0.00 O ATOM 265 CB ALA A 14 9.835 9.395 8.305 1.00 0.00 C ATOM 0 H ALA A 14 11.132 8.173 6.541 1.00 0.00 H new ATOM 0 HA ALA A 14 9.556 7.340 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.031 9.754 8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.783 9.464 8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.880 10.006 7.404 1.00 0.00 H new ATOM 271 N LEU A 15 7.156 8.139 7.979 1.00 0.00 N ATOM 272 CA LEU A 15 5.800 8.057 7.448 1.00 0.00 C ATOM 273 C LEU A 15 5.598 9.056 6.314 1.00 0.00 C ATOM 274 O LEU A 15 6.084 10.185 6.373 1.00 0.00 O ATOM 275 CB LEU A 15 4.780 8.315 8.559 1.00 0.00 C ATOM 276 CG LEU A 15 3.350 7.848 8.278 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.341 6.396 7.830 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.478 8.033 9.511 1.00 0.00 C ATOM 0 H LEU A 15 7.211 8.463 8.945 1.00 0.00 H new ATOM 0 HA LEU A 15 5.651 7.052 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.130 7.824 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.758 9.385 8.764 1.00 0.00 H new ATOM 0 HG LEU A 15 2.940 8.457 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.316 6.082 7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.932 6.292 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.769 5.771 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.464 7.696 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.886 7.449 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.458 9.087 9.788 1.00 0.00 H new ATOM 290 N TYR A 16 4.874 8.633 5.283 1.00 0.00 N ATOM 291 CA TYR A 16 4.607 9.490 4.134 1.00 0.00 C ATOM 292 C TYR A 16 5.902 9.858 3.416 1.00 0.00 C ATOM 293 O TYR A 16 6.000 10.912 2.786 1.00 0.00 O ATOM 294 CB TYR A 16 3.878 10.760 4.577 1.00 0.00 C ATOM 295 CG TYR A 16 2.570 10.491 5.286 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.775 9.409 4.930 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.128 11.320 6.309 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.579 9.160 5.574 1.00 0.00 C ATOM 299 CE2 TYR A 16 0.934 11.078 6.960 1.00 0.00 C ATOM 300 CZ TYR A 16 0.163 9.996 6.588 1.00 0.00 C ATOM 301 OH TYR A 16 -1.029 9.753 7.232 1.00 0.00 O ATOM 0 H TYR A 16 4.462 7.702 5.220 1.00 0.00 H new ATOM 0 HA TYR A 16 3.973 8.938 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.530 11.331 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.687 11.383 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.098 8.751 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.729 12.169 6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.027 8.314 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.606 11.731 7.755 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.173 10.435 7.921 1.00 0.00 H new ATOM 311 N THR A 17 6.895 8.980 3.514 1.00 0.00 N ATOM 312 CA THR A 17 8.186 9.210 2.874 1.00 0.00 C ATOM 313 C THR A 17 8.209 8.639 1.461 1.00 0.00 C ATOM 314 O THR A 17 7.747 7.522 1.225 1.00 0.00 O ATOM 315 CB THR A 17 9.334 8.584 3.688 1.00 0.00 C ATOM 316 OG1 THR A 17 9.446 9.234 4.958 1.00 0.00 O ATOM 317 CG2 THR A 17 10.652 8.697 2.936 1.00 0.00 C ATOM 0 H THR A 17 6.831 8.103 4.030 1.00 0.00 H new ATOM 0 HA THR A 17 8.329 10.290 2.828 1.00 0.00 H new ATOM 0 HB THR A 17 9.109 7.528 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.379 9.493 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.449 8.249 3.529 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.572 8.176 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.880 9.748 2.757 1.00 0.00 H new ATOM 325 N ILE A 18 8.747 9.413 0.525 1.00 0.00 N ATOM 326 CA ILE A 18 8.831 8.982 -0.865 1.00 0.00 C ATOM 327 C ILE A 18 10.236 8.495 -1.206 1.00 0.00 C ATOM 328 O ILE A 18 11.225 9.168 -0.918 1.00 0.00 O ATOM 329 CB ILE A 18 8.446 10.119 -1.831 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.940 10.381 -1.769 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.873 9.775 -3.250 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.522 11.661 -2.460 1.00 0.00 C ATOM 0 H ILE A 18 9.131 10.341 0.703 1.00 0.00 H new ATOM 0 HA ILE A 18 8.125 8.160 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 18 8.966 11.027 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.414 9.542 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.629 10.422 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.594 10.588 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.953 9.633 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.378 8.857 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.442 11.783 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.020 12.508 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.802 11.615 -3.512 1.00 0.00 H new ATOM 344 N PHE A 19 10.315 7.320 -1.822 1.00 0.00 N ATOM 345 CA PHE A 19 11.598 6.742 -2.203 1.00 0.00 C ATOM 346 C PHE A 19 11.448 5.844 -3.427 1.00 0.00 C ATOM 347 O PHE A 19 10.349 5.390 -3.745 1.00 0.00 O ATOM 348 CB PHE A 19 12.188 5.943 -1.039 1.00 0.00 C ATOM 349 CG PHE A 19 11.202 5.015 -0.389 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.835 3.831 -1.006 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.642 5.329 0.839 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.928 2.974 -0.410 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.735 4.476 1.441 1.00 0.00 C ATOM 354 CZ PHE A 19 9.376 3.298 0.814 1.00 0.00 C ATOM 0 H PHE A 19 9.506 6.750 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 19 12.275 7.558 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.037 5.363 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.571 6.636 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.262 3.574 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.917 6.250 1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.652 2.053 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.308 4.730 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.665 2.632 1.280 1.00 0.00 H new ATOM 364 N GLN A 20 12.561 5.591 -4.109 1.00 0.00 N ATOM 365 CA GLN A 20 12.552 4.748 -5.298 1.00 0.00 C ATOM 366 C GLN A 20 12.940 3.314 -4.952 1.00 0.00 C ATOM 367 O GLN A 20 13.976 3.073 -4.334 1.00 0.00 O ATOM 368 CB GLN A 20 13.509 5.307 -6.352 1.00 0.00 C ATOM 369 CG GLN A 20 13.085 5.005 -7.781 1.00 0.00 C ATOM 370 CD GLN A 20 13.802 5.871 -8.798 1.00 0.00 C ATOM 371 OE1 GLN A 20 13.150 6.122 -9.927 1.00 0.00 O flip ATOM 372 NE2 GLN A 20 14.931 6.309 -8.572 1.00 0.00 N flip ATOM 0 H GLN A 20 13.479 5.958 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 20 11.540 4.744 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.585 6.387 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.504 4.895 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.282 3.956 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.009 5.154 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.395 6.091 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.401 6.889 -9.266 1.00 0.00 H new ATOM 381 N GLY A 21 12.100 2.365 -5.353 1.00 0.00 N ATOM 382 CA GLY A 21 12.372 0.967 -5.076 1.00 0.00 C ATOM 383 C GLY A 21 12.062 0.070 -6.258 1.00 0.00 C ATOM 384 O GLY A 21 11.331 0.462 -7.167 1.00 0.00 O ATOM 0 H GLY A 21 11.235 2.540 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.421 0.852 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.781 0.648 -4.217 1.00 0.00 H new ATOM 388 N GLU A 22 12.621 -1.136 -6.246 1.00 0.00 N ATOM 389 CA GLU A 22 12.401 -2.089 -7.327 1.00 0.00 C ATOM 390 C GLU A 22 11.504 -3.235 -6.869 1.00 0.00 C ATOM 391 O GLU A 22 11.614 -3.712 -5.739 1.00 0.00 O ATOM 392 CB GLU A 22 13.737 -2.643 -7.828 1.00 0.00 C ATOM 393 CG GLU A 22 13.594 -3.653 -8.954 1.00 0.00 C ATOM 394 CD GLU A 22 14.930 -4.199 -9.421 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.588 -3.531 -10.245 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.315 -5.294 -8.962 1.00 0.00 O ATOM 0 H GLU A 22 13.229 -1.476 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 22 11.903 -1.565 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.358 -1.815 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.261 -3.112 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.965 -4.478 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.083 -3.184 -9.795 1.00 0.00 H new ATOM 403 N VAL A 23 10.613 -3.672 -7.754 1.00 0.00 N ATOM 404 CA VAL A 23 9.696 -4.761 -7.442 1.00 0.00 C ATOM 405 C VAL A 23 10.444 -6.080 -7.280 1.00 0.00 C ATOM 406 O VAL A 23 11.292 -6.429 -8.100 1.00 0.00 O ATOM 407 CB VAL A 23 8.623 -4.923 -8.534 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.882 -6.240 -8.365 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.656 -3.749 -8.509 1.00 0.00 C ATOM 0 H VAL A 23 10.507 -3.288 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 23 9.209 -4.504 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 23 9.117 -4.936 -9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.128 -6.336 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.588 -7.067 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.398 -6.262 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.904 -3.880 -9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.167 -3.701 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.203 -2.823 -8.685 1.00 0.00 H new ATOM 419 N ALA A 24 10.123 -6.810 -6.217 1.00 0.00 N ATOM 420 CA ALA A 24 10.762 -8.092 -5.950 1.00 0.00 C ATOM 421 C ALA A 24 9.744 -9.228 -5.967 1.00 0.00 C ATOM 422 O ALA A 24 10.096 -10.385 -6.197 1.00 0.00 O ATOM 423 CB ALA A 24 11.486 -8.052 -4.613 1.00 0.00 C ATOM 0 H ALA A 24 9.424 -6.535 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 24 11.489 -8.278 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.959 -9.016 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.248 -7.273 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.771 -7.839 -3.818 1.00 0.00 H new ATOM 429 N MET A 25 8.482 -8.890 -5.723 1.00 0.00 N ATOM 430 CA MET A 25 7.414 -9.882 -5.712 1.00 0.00 C ATOM 431 C MET A 25 6.116 -9.289 -6.251 1.00 0.00 C ATOM 432 O MET A 25 5.783 -8.137 -5.971 1.00 0.00 O ATOM 433 CB MET A 25 7.196 -10.411 -4.294 1.00 0.00 C ATOM 434 CG MET A 25 6.299 -11.638 -4.234 1.00 0.00 C ATOM 435 SD MET A 25 6.073 -12.252 -2.555 1.00 0.00 S ATOM 436 CE MET A 25 4.490 -13.075 -2.705 1.00 0.00 C ATOM 0 H MET A 25 8.174 -7.937 -5.530 1.00 0.00 H new ATOM 0 HA MET A 25 7.712 -10.708 -6.359 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.163 -10.656 -3.854 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.759 -9.621 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.326 -11.393 -4.661 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.728 -12.428 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.734 -12.513 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.208 -13.133 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.563 -14.082 -2.293 1.00 0.00 H new ATOM 446 N VAL A 26 5.386 -10.083 -7.028 1.00 0.00 N ATOM 447 CA VAL A 26 4.124 -9.637 -7.607 1.00 0.00 C ATOM 448 C VAL A 26 2.986 -10.583 -7.240 1.00 0.00 C ATOM 449 O VAL A 26 3.065 -11.789 -7.481 1.00 0.00 O ATOM 450 CB VAL A 26 4.215 -9.531 -9.140 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.847 -9.241 -9.738 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.219 -8.460 -9.541 1.00 0.00 C ATOM 0 H VAL A 26 5.647 -11.039 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 26 3.919 -8.649 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 26 4.561 -10.487 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.932 -9.170 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.159 -10.046 -9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.469 -8.299 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.271 -8.399 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.905 -7.497 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.202 -8.716 -9.145 1.00 0.00 H new ATOM 462 N THR A 27 1.927 -10.031 -6.657 1.00 0.00 N ATOM 463 CA THR A 27 0.773 -10.826 -6.257 1.00 0.00 C ATOM 464 C THR A 27 -0.523 -10.210 -6.772 1.00 0.00 C ATOM 465 O THR A 27 -0.561 -9.036 -7.140 1.00 0.00 O ATOM 466 CB THR A 27 0.689 -10.963 -4.725 1.00 0.00 C ATOM 467 OG1 THR A 27 0.354 -9.701 -4.138 1.00 0.00 O ATOM 468 CG2 THR A 27 2.009 -11.459 -4.153 1.00 0.00 C ATOM 0 H THR A 27 1.845 -9.035 -6.451 1.00 0.00 H new ATOM 0 HA THR A 27 0.903 -11.815 -6.696 1.00 0.00 H new ATOM 0 HB THR A 27 -0.088 -11.691 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.157 -9.848 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.926 -11.548 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.247 -12.433 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.801 -10.752 -4.399 1.00 0.00 H new ATOM 476 N ASP A 28 -1.583 -11.010 -6.796 1.00 0.00 N ATOM 477 CA ASP A 28 -2.883 -10.543 -7.265 1.00 0.00 C ATOM 478 C ASP A 28 -3.514 -9.589 -6.256 1.00 0.00 C ATOM 479 O ASP A 28 -4.618 -9.086 -6.468 1.00 0.00 O ATOM 480 CB ASP A 28 -3.815 -11.730 -7.516 1.00 0.00 C ATOM 481 CG ASP A 28 -3.515 -12.435 -8.824 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.354 -12.852 -9.022 1.00 0.00 O ATOM 483 OD2 ASP A 28 -4.441 -12.572 -9.650 1.00 0.00 O ATOM 0 H ASP A 28 -1.568 -11.985 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.732 -10.005 -8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.723 -12.440 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.848 -11.382 -7.523 1.00 0.00 H new ATOM 488 N TYR A 29 -2.807 -9.346 -5.157 1.00 0.00 N ATOM 489 CA TYR A 29 -3.301 -8.456 -4.113 1.00 0.00 C ATOM 490 C TYR A 29 -2.357 -7.273 -3.916 1.00 0.00 C ATOM 491 O TYR A 29 -2.587 -6.417 -3.064 1.00 0.00 O ATOM 492 CB TYR A 29 -3.462 -9.220 -2.797 1.00 0.00 C ATOM 493 CG TYR A 29 -2.206 -9.932 -2.352 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.230 -9.269 -1.618 1.00 0.00 C ATOM 495 CD2 TYR A 29 -1.994 -11.269 -2.665 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.079 -9.916 -1.210 1.00 0.00 C ATOM 497 CE2 TYR A 29 -0.848 -11.925 -2.260 1.00 0.00 C ATOM 498 CZ TYR A 29 0.107 -11.244 -1.533 1.00 0.00 C ATOM 499 OH TYR A 29 1.250 -11.893 -1.127 1.00 0.00 O ATOM 0 H TYR A 29 -1.891 -9.753 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.273 -8.074 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.770 -8.523 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.264 -9.950 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.373 -8.230 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.739 -11.805 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.670 -9.385 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.700 -12.965 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 29 1.225 -12.823 -1.435 1.00 0.00 H new ATOM 509 N GLY A 30 -1.292 -7.236 -4.711 1.00 0.00 N ATOM 510 CA GLY A 30 -0.328 -6.155 -4.609 1.00 0.00 C ATOM 511 C GLY A 30 1.062 -6.575 -5.044 1.00 0.00 C ATOM 512 O GLY A 30 1.229 -7.595 -5.710 1.00 0.00 O ATOM 0 H GLY A 30 -1.079 -7.934 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.660 -5.317 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.291 -5.801 -3.579 1.00 0.00 H new ATOM 516 N ALA A 31 2.062 -5.785 -4.667 1.00 0.00 N ATOM 517 CA ALA A 31 3.445 -6.080 -5.022 1.00 0.00 C ATOM 518 C ALA A 31 4.407 -5.570 -3.954 1.00 0.00 C ATOM 519 O ALA A 31 4.148 -4.557 -3.305 1.00 0.00 O ATOM 520 CB ALA A 31 3.783 -5.472 -6.375 1.00 0.00 C ATOM 0 H ALA A 31 1.940 -4.936 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 31 3.556 -7.163 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.819 -5.700 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.123 -5.889 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.649 -4.391 -6.332 1.00 0.00 H new ATOM 526 N PHE A 32 5.518 -6.278 -3.779 1.00 0.00 N ATOM 527 CA PHE A 32 6.518 -5.897 -2.789 1.00 0.00 C ATOM 528 C PHE A 32 7.604 -5.030 -3.418 1.00 0.00 C ATOM 529 O PHE A 32 8.098 -5.328 -4.505 1.00 0.00 O ATOM 530 CB PHE A 32 7.145 -7.144 -2.160 1.00 0.00 C ATOM 531 CG PHE A 32 6.257 -7.821 -1.156 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.280 -8.713 -1.565 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.400 -7.565 0.198 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.461 -9.338 -0.644 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.585 -8.186 1.124 1.00 0.00 C ATOM 536 CZ PHE A 32 4.614 -9.074 0.704 1.00 0.00 C ATOM 0 H PHE A 32 5.748 -7.118 -4.310 1.00 0.00 H new ATOM 0 HA PHE A 32 6.020 -5.317 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.394 -7.853 -2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.081 -6.865 -1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.157 -8.923 -2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.157 -6.872 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.703 -10.031 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.707 -7.977 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.976 -9.561 1.427 1.00 0.00 H new ATOM 546 N ILE A 33 7.969 -3.956 -2.726 1.00 0.00 N ATOM 547 CA ILE A 33 8.996 -3.045 -3.217 1.00 0.00 C ATOM 548 C ILE A 33 10.158 -2.946 -2.234 1.00 0.00 C ATOM 549 O ILE A 33 9.962 -2.688 -1.048 1.00 0.00 O ATOM 550 CB ILE A 33 8.428 -1.635 -3.464 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.172 -1.714 -4.335 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.477 -0.747 -4.116 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.446 -2.178 -5.748 1.00 0.00 C ATOM 0 H ILE A 33 7.569 -3.695 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 33 9.354 -3.454 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 33 8.156 -1.196 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.459 -2.394 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.700 -0.732 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.060 0.246 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.346 -0.670 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.778 -1.180 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.511 -2.210 -6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.135 -1.485 -6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.890 -3.173 -5.725 1.00 0.00 H new ATOM 565 N LYS A 34 11.370 -3.154 -2.738 1.00 0.00 N ATOM 566 CA LYS A 34 12.567 -3.086 -1.907 1.00 0.00 C ATOM 567 C LYS A 34 13.008 -1.640 -1.707 1.00 0.00 C ATOM 568 O LYS A 34 13.165 -0.890 -2.671 1.00 0.00 O ATOM 569 CB LYS A 34 13.701 -3.894 -2.543 1.00 0.00 C ATOM 570 CG LYS A 34 13.319 -5.330 -2.862 1.00 0.00 C ATOM 571 CD LYS A 34 14.538 -6.163 -3.219 1.00 0.00 C ATOM 572 CE LYS A 34 14.852 -6.085 -4.705 1.00 0.00 C ATOM 573 NZ LYS A 34 16.272 -6.426 -4.991 1.00 0.00 N ATOM 0 H LYS A 34 11.549 -3.371 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 34 12.328 -3.512 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.019 -3.399 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.557 -3.896 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.813 -5.772 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.612 -5.344 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.398 -5.816 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.365 -7.202 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.198 -6.766 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.640 -5.080 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.445 -6.361 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.896 -5.761 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.468 -7.395 -4.667 1.00 0.00 H new ATOM 587 N ILE A 35 13.210 -1.256 -0.451 1.00 0.00 N ATOM 588 CA ILE A 35 13.637 0.099 -0.126 1.00 0.00 C ATOM 589 C ILE A 35 15.155 0.230 -0.199 1.00 0.00 C ATOM 590 O ILE A 35 15.900 -0.626 0.278 1.00 0.00 O ATOM 591 CB ILE A 35 13.164 0.517 1.279 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.638 0.460 1.364 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.667 1.913 1.613 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.113 0.436 2.783 1.00 0.00 C ATOM 0 H ILE A 35 13.085 -1.864 0.358 1.00 0.00 H new ATOM 0 HA ILE A 35 13.182 0.759 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 35 13.576 -0.180 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.221 1.323 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.286 -0.428 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.325 2.194 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.757 1.923 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.281 2.623 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.024 0.396 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.501 -0.442 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.435 1.337 3.305 1.00 0.00 H new ATOM 606 N PRO A 36 15.625 1.327 -0.810 1.00 0.00 N ATOM 607 CA PRO A 36 17.059 1.598 -0.958 1.00 0.00 C ATOM 608 C PRO A 36 17.726 1.933 0.372 1.00 0.00 C ATOM 609 O PRO A 36 17.360 2.903 1.034 1.00 0.00 O ATOM 610 CB PRO A 36 17.097 2.807 -1.895 1.00 0.00 C ATOM 611 CG PRO A 36 15.784 3.483 -1.694 1.00 0.00 C ATOM 612 CD PRO A 36 14.794 2.388 -1.403 1.00 0.00 C ATOM 0 HA PRO A 36 17.601 0.731 -1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.926 3.471 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.230 2.500 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.833 4.194 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.494 4.045 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.017 2.721 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.293 2.047 -2.309 1.00 0.00 H new ATOM 620 N GLY A 37 18.707 1.123 0.757 1.00 0.00 N ATOM 621 CA GLY A 37 19.411 1.350 2.005 1.00 0.00 C ATOM 622 C GLY A 37 18.688 0.750 3.194 1.00 0.00 C ATOM 623 O GLY A 37 18.678 1.330 4.282 1.00 0.00 O ATOM 0 H GLY A 37 19.027 0.313 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.411 0.922 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.533 2.422 2.160 1.00 0.00 H new ATOM 627 N CYS A 38 18.082 -0.414 2.991 1.00 0.00 N ATOM 628 CA CYS A 38 17.351 -1.093 4.055 1.00 0.00 C ATOM 629 C CYS A 38 17.259 -2.591 3.781 1.00 0.00 C ATOM 630 O CYS A 38 17.684 -3.067 2.728 1.00 0.00 O ATOM 631 CB CYS A 38 15.947 -0.501 4.196 1.00 0.00 C ATOM 632 SG CYS A 38 15.895 1.071 5.085 1.00 0.00 S ATOM 0 H CYS A 38 18.082 -0.908 2.099 1.00 0.00 H new ATOM 0 HA CYS A 38 17.895 -0.945 4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.523 -0.358 3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.312 -1.220 4.713 1.00 0.00 H new ATOM 0 HG CYS A 38 17.057 1.649 5.012 1.00 0.00 H new ATOM 638 N ARG A 39 16.705 -3.329 4.738 1.00 0.00 N ATOM 639 CA ARG A 39 16.562 -4.773 4.602 1.00 0.00 C ATOM 640 C ARG A 39 15.093 -5.162 4.459 1.00 0.00 C ATOM 641 O ARG A 39 14.737 -5.989 3.618 1.00 0.00 O ATOM 642 CB ARG A 39 17.172 -5.484 5.811 1.00 0.00 C ATOM 643 CG ARG A 39 18.650 -5.803 5.647 1.00 0.00 C ATOM 644 CD ARG A 39 18.860 -7.058 4.815 1.00 0.00 C ATOM 645 NE ARG A 39 18.770 -8.271 5.623 1.00 0.00 N ATOM 646 CZ ARG A 39 19.637 -8.582 6.581 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.652 -7.773 6.850 1.00 0.00 N ATOM 648 NH2 ARG A 39 19.488 -9.705 7.273 1.00 0.00 N ATOM 0 H ARG A 39 16.348 -2.950 5.615 1.00 0.00 H new ATOM 0 HA ARG A 39 17.093 -5.082 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.039 -4.859 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.627 -6.410 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.154 -4.962 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.106 -5.935 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.115 -7.095 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.837 -7.015 4.334 1.00 0.00 H new ATOM 0 HE ARG A 39 18.000 -8.915 5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.769 -6.909 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.316 -8.015 7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.708 -10.330 7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.154 -9.943 8.008 1.00 0.00 H new ATOM 662 N LYS A 40 14.244 -4.562 5.286 1.00 0.00 N ATOM 663 CA LYS A 40 12.813 -4.844 5.253 1.00 0.00 C ATOM 664 C LYS A 40 12.160 -4.198 4.036 1.00 0.00 C ATOM 665 O LYS A 40 12.539 -3.101 3.626 1.00 0.00 O ATOM 666 CB LYS A 40 12.143 -4.339 6.533 1.00 0.00 C ATOM 667 CG LYS A 40 10.806 -4.998 6.819 1.00 0.00 C ATOM 668 CD LYS A 40 10.981 -6.415 7.338 1.00 0.00 C ATOM 669 CE LYS A 40 9.803 -6.844 8.198 1.00 0.00 C ATOM 670 NZ LYS A 40 10.090 -8.099 8.947 1.00 0.00 N ATOM 0 H LYS A 40 14.522 -3.876 5.988 1.00 0.00 H new ATOM 0 HA LYS A 40 12.682 -5.924 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.812 -4.512 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.999 -3.261 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.258 -4.406 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.206 -5.015 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.088 -7.101 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.900 -6.479 7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.559 -6.049 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.927 -6.990 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.262 -8.358 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.298 -8.865 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.910 -7.952 9.569 1.00 0.00 H new ATOM 684 N GLN A 41 11.177 -4.885 3.462 1.00 0.00 N ATOM 685 CA GLN A 41 10.471 -4.376 2.292 1.00 0.00 C ATOM 686 C GLN A 41 8.996 -4.145 2.604 1.00 0.00 C ATOM 687 O GLN A 41 8.436 -4.773 3.501 1.00 0.00 O ATOM 688 CB GLN A 41 10.610 -5.352 1.123 1.00 0.00 C ATOM 689 CG GLN A 41 12.021 -5.889 0.942 1.00 0.00 C ATOM 690 CD GLN A 41 12.053 -7.206 0.191 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.111 -7.995 0.258 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.141 -7.450 -0.530 1.00 0.00 N ATOM 0 H GLN A 41 10.852 -5.795 3.788 1.00 0.00 H new ATOM 0 HA GLN A 41 10.919 -3.422 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.929 -6.189 1.277 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.300 -4.853 0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.619 -5.154 0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.483 -6.022 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.899 -6.767 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.219 -8.320 -1.057 1.00 0.00 H new ATOM 701 N GLY A 42 8.374 -3.238 1.857 1.00 0.00 N ATOM 702 CA GLY A 42 6.970 -2.939 2.070 1.00 0.00 C ATOM 703 C GLY A 42 6.078 -3.560 1.013 1.00 0.00 C ATOM 704 O GLY A 42 6.545 -3.924 -0.068 1.00 0.00 O ATOM 0 H GLY A 42 8.817 -2.705 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.670 -3.301 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.828 -1.858 2.072 1.00 0.00 H new ATOM 708 N LEU A 43 4.792 -3.683 1.323 1.00 0.00 N ATOM 709 CA LEU A 43 3.832 -4.266 0.392 1.00 0.00 C ATOM 710 C LEU A 43 2.854 -3.211 -0.113 1.00 0.00 C ATOM 711 O LEU A 43 2.328 -2.415 0.665 1.00 0.00 O ATOM 712 CB LEU A 43 3.068 -5.408 1.066 1.00 0.00 C ATOM 713 CG LEU A 43 1.800 -5.878 0.352 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.150 -6.791 -0.813 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.871 -6.586 1.327 1.00 0.00 C ATOM 0 H LEU A 43 4.390 -3.387 2.212 1.00 0.00 H new ATOM 0 HA LEU A 43 4.383 -4.660 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.741 -6.259 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.798 -5.093 2.074 1.00 0.00 H new ATOM 0 HG LEU A 43 1.282 -5.003 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.235 -7.115 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.776 -6.251 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.690 -7.662 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.026 -6.914 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.380 -7.452 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.593 -5.901 2.128 1.00 0.00 H new ATOM 727 N VAL A 44 2.612 -3.213 -1.420 1.00 0.00 N ATOM 728 CA VAL A 44 1.694 -2.258 -2.029 1.00 0.00 C ATOM 729 C VAL A 44 0.391 -2.935 -2.441 1.00 0.00 C ATOM 730 O VAL A 44 0.358 -3.709 -3.400 1.00 0.00 O ATOM 731 CB VAL A 44 2.322 -1.583 -3.262 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.332 -0.627 -3.910 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.603 -0.857 -2.877 1.00 0.00 C ATOM 0 H VAL A 44 3.039 -3.865 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 44 1.483 -1.498 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 44 2.573 -2.355 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.794 -0.159 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.445 -1.178 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.047 0.143 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.034 -0.386 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.379 -0.094 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.315 -1.571 -2.463 1.00 0.00 H new ATOM 743 N HIS A 45 -0.680 -2.639 -1.713 1.00 0.00 N ATOM 744 CA HIS A 45 -1.987 -3.217 -2.005 1.00 0.00 C ATOM 745 C HIS A 45 -2.396 -2.938 -3.449 1.00 0.00 C ATOM 746 O HIS A 45 -2.022 -1.916 -4.022 1.00 0.00 O ATOM 747 CB HIS A 45 -3.040 -2.661 -1.047 1.00 0.00 C ATOM 748 CG HIS A 45 -4.161 -3.614 -0.769 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.422 -3.204 -0.390 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.206 -4.966 -0.818 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.194 -4.262 -0.216 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.479 -5.345 -0.471 1.00 0.00 N ATOM 0 H HIS A 45 -0.669 -2.002 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.917 -4.296 -1.869 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.559 -2.395 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.451 -1.742 -1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.391 -5.624 -1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.232 -4.245 0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.818 -6.306 -0.418 1.00 0.00 H new ATOM 760 N ARG A 46 -3.164 -3.854 -4.028 1.00 0.00 N ATOM 761 CA ARG A 46 -3.621 -3.708 -5.405 1.00 0.00 C ATOM 762 C ARG A 46 -4.432 -2.426 -5.575 1.00 0.00 C ATOM 763 O ARG A 46 -4.431 -1.814 -6.644 1.00 0.00 O ATOM 764 CB ARG A 46 -4.464 -4.915 -5.818 1.00 0.00 C ATOM 765 CG ARG A 46 -5.803 -4.996 -5.101 1.00 0.00 C ATOM 766 CD ARG A 46 -6.614 -6.193 -5.572 1.00 0.00 C ATOM 767 NE ARG A 46 -7.731 -6.483 -4.677 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.337 -7.663 -4.616 1.00 0.00 C ATOM 769 NH1 ARG A 46 -7.935 -8.659 -5.392 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.347 -7.849 -3.775 1.00 0.00 N ATOM 0 H ARG A 46 -3.483 -4.705 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.743 -3.651 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.639 -4.875 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.900 -5.826 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.638 -5.067 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.367 -4.080 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.994 -6.001 -6.576 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.966 -7.067 -5.638 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.064 -5.738 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.158 -8.520 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.402 -9.564 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.658 -7.085 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.812 -8.756 -3.729 1.00 0.00 H new ATOM 784 N THR A 47 -5.124 -2.025 -4.513 1.00 0.00 N ATOM 785 CA THR A 47 -5.940 -0.818 -4.544 1.00 0.00 C ATOM 786 C THR A 47 -5.073 0.429 -4.675 1.00 0.00 C ATOM 787 O THR A 47 -5.484 1.422 -5.277 1.00 0.00 O ATOM 788 CB THR A 47 -6.809 -0.694 -3.278 1.00 0.00 C ATOM 789 OG1 THR A 47 -6.031 -0.158 -2.201 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.376 -2.047 -2.876 1.00 0.00 C ATOM 0 H THR A 47 -5.135 -2.519 -3.621 1.00 0.00 H new ATOM 0 HA THR A 47 -6.590 -0.899 -5.415 1.00 0.00 H new ATOM 0 HB THR A 47 -7.638 -0.021 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.591 -0.081 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.986 -1.934 -1.980 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.991 -2.439 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.558 -2.739 -2.674 1.00 0.00 H new ATOM 798 N HIS A 48 -3.873 0.372 -4.110 1.00 0.00 N ATOM 799 CA HIS A 48 -2.947 1.497 -4.166 1.00 0.00 C ATOM 800 C HIS A 48 -2.044 1.398 -5.392 1.00 0.00 C ATOM 801 O HIS A 48 -1.585 2.410 -5.919 1.00 0.00 O ATOM 802 CB HIS A 48 -2.096 1.549 -2.895 1.00 0.00 C ATOM 803 CG HIS A 48 -2.871 1.932 -1.673 1.00 0.00 C ATOM 804 ND1 HIS A 48 -3.488 1.169 -0.740 1.00 0.00 N flip ATOM 805 CD2 HIS A 48 -3.081 3.242 -1.294 1.00 0.00 C flip ATOM 806 CE1 HIS A 48 -4.053 2.022 0.176 1.00 0.00 C flip ATOM 807 NE2 HIS A 48 -3.793 3.267 -0.182 1.00 0.00 N flip ATOM 0 H HIS A 48 -3.518 -0.442 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.533 2.413 -4.241 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.638 0.573 -2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.285 2.262 -3.039 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.526 0.150 -0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.720 4.111 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.618 1.724 1.047 1.00 0.00 H new ATOM 815 N MET A 49 -1.794 0.172 -5.839 1.00 0.00 N ATOM 816 CA MET A 49 -0.947 -0.059 -7.004 1.00 0.00 C ATOM 817 C MET A 49 -1.290 0.916 -8.126 1.00 0.00 C ATOM 818 O MET A 49 -0.416 1.333 -8.886 1.00 0.00 O ATOM 819 CB MET A 49 -1.102 -1.499 -7.497 1.00 0.00 C ATOM 820 CG MET A 49 -0.271 -2.502 -6.715 1.00 0.00 C ATOM 821 SD MET A 49 -0.079 -4.071 -7.581 1.00 0.00 S ATOM 822 CE MET A 49 1.389 -3.744 -8.553 1.00 0.00 C ATOM 0 H MET A 49 -2.166 -0.677 -5.413 1.00 0.00 H new ATOM 0 HA MET A 49 0.089 0.105 -6.708 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.152 -1.784 -7.436 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.819 -1.547 -8.549 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.713 -2.077 -6.518 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.740 -2.681 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.936 -4.674 -8.709 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.101 -3.326 -9.518 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.024 -3.033 -8.025 1.00 0.00 H new ATOM 832 N SER A 50 -2.566 1.273 -8.225 1.00 0.00 N ATOM 833 CA SER A 50 -3.024 2.195 -9.258 1.00 0.00 C ATOM 834 C SER A 50 -4.290 2.923 -8.814 1.00 0.00 C ATOM 835 O SER A 50 -4.986 2.481 -7.901 1.00 0.00 O ATOM 836 CB SER A 50 -3.289 1.442 -10.563 1.00 0.00 C ATOM 837 OG SER A 50 -3.644 2.335 -11.605 1.00 0.00 O ATOM 0 H SER A 50 -3.301 0.938 -7.603 1.00 0.00 H new ATOM 0 HA SER A 50 -2.239 2.933 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.400 0.880 -10.849 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.089 0.718 -10.412 1.00 0.00 H new ATOM 0 HG SER A 50 -3.806 1.829 -12.428 1.00 0.00 H new ATOM 843 N SER A 51 -4.579 4.044 -9.467 1.00 0.00 N ATOM 844 CA SER A 51 -5.758 4.838 -9.137 1.00 0.00 C ATOM 845 C SER A 51 -6.991 4.305 -9.862 1.00 0.00 C ATOM 846 O SER A 51 -8.035 4.079 -9.248 1.00 0.00 O ATOM 847 CB SER A 51 -5.529 6.305 -9.506 1.00 0.00 C ATOM 848 OG SER A 51 -6.410 7.153 -8.789 1.00 0.00 O ATOM 0 H SER A 51 -4.014 4.423 -10.227 1.00 0.00 H new ATOM 0 HA SER A 51 -5.929 4.763 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.497 6.581 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.678 6.442 -10.577 1.00 0.00 H new ATOM 0 HG SER A 51 -6.243 8.085 -9.040 1.00 0.00 H new ATOM 854 N CYS A 52 -6.862 4.109 -11.169 1.00 0.00 N ATOM 855 CA CYS A 52 -7.965 3.605 -11.979 1.00 0.00 C ATOM 856 C CYS A 52 -8.381 2.210 -11.521 1.00 0.00 C ATOM 857 O CYS A 52 -7.797 1.650 -10.594 1.00 0.00 O ATOM 858 CB CYS A 52 -7.570 3.573 -13.455 1.00 0.00 C ATOM 859 SG CYS A 52 -7.498 5.203 -14.235 1.00 0.00 S ATOM 0 H CYS A 52 -6.005 4.291 -11.691 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.813 4.278 -11.853 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.596 3.094 -13.549 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.284 2.953 -13.998 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.153 5.073 -15.482 1.00 0.00 H new ATOM 865 N ARG A 53 -9.397 1.657 -12.176 1.00 0.00 N ATOM 866 CA ARG A 53 -9.894 0.329 -11.834 1.00 0.00 C ATOM 867 C ARG A 53 -8.797 -0.719 -11.995 1.00 0.00 C ATOM 868 O ARG A 53 -8.409 -1.062 -13.112 1.00 0.00 O ATOM 869 CB ARG A 53 -11.092 -0.032 -12.715 1.00 0.00 C ATOM 870 CG ARG A 53 -11.906 -1.201 -12.185 1.00 0.00 C ATOM 871 CD ARG A 53 -13.031 -1.574 -13.139 1.00 0.00 C ATOM 872 NE ARG A 53 -14.212 -0.737 -12.945 1.00 0.00 N ATOM 873 CZ ARG A 53 -14.377 0.446 -13.525 1.00 0.00 C ATOM 874 NH1 ARG A 53 -13.442 0.930 -14.331 1.00 0.00 N ATOM 875 NH2 ARG A 53 -15.480 1.149 -13.300 1.00 0.00 N ATOM 0 H ARG A 53 -9.892 2.107 -12.946 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.209 0.343 -10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.740 0.839 -12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.736 -0.272 -13.717 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.254 -2.062 -12.035 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.323 -0.944 -11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.682 -1.476 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.300 -2.620 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.950 -1.080 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.593 0.393 -14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.572 1.839 -14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.202 0.781 -12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.606 2.058 -13.746 1.00 0.00 H new ATOM 889 N VAL A 54 -8.301 -1.225 -10.870 1.00 0.00 N ATOM 890 CA VAL A 54 -7.249 -2.236 -10.885 1.00 0.00 C ATOM 891 C VAL A 54 -7.838 -3.640 -10.949 1.00 0.00 C ATOM 892 O VAL A 54 -8.450 -4.112 -9.990 1.00 0.00 O ATOM 893 CB VAL A 54 -6.346 -2.124 -9.642 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.099 -2.977 -9.810 1.00 0.00 C ATOM 895 CG2 VAL A 54 -5.979 -0.671 -9.380 1.00 0.00 C ATOM 0 H VAL A 54 -8.610 -0.952 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.649 -2.057 -11.777 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.897 -2.496 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.473 -2.885 -8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.387 -4.020 -9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.542 -2.639 -10.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.341 -0.610 -8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.446 -0.269 -10.242 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.887 -0.091 -9.212 1.00 0.00 H new ATOM 905 N ASP A 55 -7.648 -4.305 -12.083 1.00 0.00 N ATOM 906 CA ASP A 55 -8.158 -5.658 -12.271 1.00 0.00 C ATOM 907 C ASP A 55 -7.015 -6.665 -12.343 1.00 0.00 C ATOM 908 O ASP A 55 -7.136 -7.794 -11.869 1.00 0.00 O ATOM 909 CB ASP A 55 -9.003 -5.734 -13.544 1.00 0.00 C ATOM 910 CG ASP A 55 -9.760 -7.043 -13.658 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.164 -7.588 -12.610 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.947 -7.523 -14.796 1.00 0.00 O ATOM 0 H ASP A 55 -7.144 -3.929 -12.886 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.783 -5.907 -11.413 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.711 -4.906 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.357 -5.614 -14.414 1.00 0.00 H new ATOM 917 N LYS A 56 -5.904 -6.249 -12.942 1.00 0.00 N ATOM 918 CA LYS A 56 -4.737 -7.113 -13.077 1.00 0.00 C ATOM 919 C LYS A 56 -3.463 -6.373 -12.682 1.00 0.00 C ATOM 920 O LYS A 56 -2.792 -5.758 -13.511 1.00 0.00 O ATOM 921 CB LYS A 56 -4.618 -7.623 -14.515 1.00 0.00 C ATOM 922 CG LYS A 56 -5.505 -8.820 -14.811 1.00 0.00 C ATOM 923 CD LYS A 56 -5.419 -9.231 -16.271 1.00 0.00 C ATOM 924 CE LYS A 56 -6.472 -10.272 -16.620 1.00 0.00 C ATOM 925 NZ LYS A 56 -7.850 -9.711 -16.553 1.00 0.00 N ATOM 0 H LYS A 56 -5.787 -5.318 -13.342 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.866 -7.962 -12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.872 -6.815 -15.201 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.580 -7.893 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.210 -9.657 -14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.538 -8.579 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.549 -8.354 -16.905 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.427 -9.631 -16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.285 -10.656 -17.623 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.390 -11.116 -15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.505 -10.338 -17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.146 -9.635 -15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.863 -8.768 -16.991 1.00 0.00 H new ATOM 939 N PRO A 57 -3.120 -6.434 -11.387 1.00 0.00 N ATOM 940 CA PRO A 57 -1.923 -5.777 -10.854 1.00 0.00 C ATOM 941 C PRO A 57 -0.636 -6.444 -11.327 1.00 0.00 C ATOM 942 O PRO A 57 0.434 -5.836 -11.306 1.00 0.00 O ATOM 943 CB PRO A 57 -2.078 -5.931 -9.339 1.00 0.00 C ATOM 944 CG PRO A 57 -2.936 -7.137 -9.167 1.00 0.00 C ATOM 945 CD PRO A 57 -3.873 -7.149 -10.343 1.00 0.00 C ATOM 0 HA PRO A 57 -1.845 -4.742 -11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.111 -6.061 -8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.541 -5.049 -8.897 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.333 -8.044 -9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.488 -7.093 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.119 -8.165 -10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.814 -6.649 -10.112 1.00 0.00 H new ATOM 953 N SER A 58 -0.747 -7.697 -11.756 1.00 0.00 N ATOM 954 CA SER A 58 0.409 -8.448 -12.232 1.00 0.00 C ATOM 955 C SER A 58 0.856 -7.946 -13.602 1.00 0.00 C ATOM 956 O SER A 58 1.936 -8.291 -14.078 1.00 0.00 O ATOM 957 CB SER A 58 0.080 -9.940 -12.305 1.00 0.00 C ATOM 958 OG SER A 58 -0.063 -10.494 -11.010 1.00 0.00 O ATOM 0 H SER A 58 -1.626 -8.214 -11.784 1.00 0.00 H new ATOM 0 HA SER A 58 1.225 -8.298 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.841 -10.085 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.870 -10.464 -12.843 1.00 0.00 H new ATOM 0 HG SER A 58 -0.275 -11.448 -11.084 1.00 0.00 H new ATOM 964 N GLU A 59 0.015 -7.129 -14.230 1.00 0.00 N ATOM 965 CA GLU A 59 0.322 -6.581 -15.545 1.00 0.00 C ATOM 966 C GLU A 59 0.782 -5.129 -15.435 1.00 0.00 C ATOM 967 O GLU A 59 1.194 -4.522 -16.424 1.00 0.00 O ATOM 968 CB GLU A 59 -0.901 -6.672 -16.460 1.00 0.00 C ATOM 969 CG GLU A 59 -1.359 -8.097 -16.722 1.00 0.00 C ATOM 970 CD GLU A 59 -0.221 -9.008 -17.140 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.713 -8.520 -17.810 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.264 -10.208 -16.797 1.00 0.00 O ATOM 0 H GLU A 59 -0.883 -6.833 -13.849 1.00 0.00 H new ATOM 0 HA GLU A 59 1.132 -7.170 -15.975 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.722 -6.112 -16.012 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.669 -6.193 -17.411 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.827 -8.496 -15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.121 -8.092 -17.502 1.00 0.00 H new ATOM 979 N ILE A 60 0.706 -4.581 -14.227 1.00 0.00 N ATOM 980 CA ILE A 60 1.115 -3.203 -13.988 1.00 0.00 C ATOM 981 C ILE A 60 2.618 -3.107 -13.749 1.00 0.00 C ATOM 982 O ILE A 60 3.275 -2.179 -14.218 1.00 0.00 O ATOM 983 CB ILE A 60 0.374 -2.598 -12.781 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.139 -2.724 -12.967 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.769 -1.140 -12.593 1.00 0.00 C ATOM 986 CD1 ILE A 60 -1.939 -2.156 -11.815 1.00 0.00 C ATOM 0 H ILE A 60 0.365 -5.070 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 60 0.857 -2.638 -14.884 1.00 0.00 H new ATOM 0 HB ILE A 60 0.659 -3.151 -11.886 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.428 -2.214 -13.886 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.395 -3.776 -13.093 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.237 -0.726 -11.736 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.843 -1.073 -12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.510 -0.575 -13.488 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.003 -2.280 -12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.679 -2.683 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.712 -1.096 -11.702 1.00 0.00 H new ATOM 998 N VAL A 61 3.156 -4.076 -13.015 1.00 0.00 N ATOM 999 CA VAL A 61 4.583 -4.105 -12.714 1.00 0.00 C ATOM 1000 C VAL A 61 5.138 -5.521 -12.812 1.00 0.00 C ATOM 1001 O VAL A 61 4.382 -6.491 -12.889 1.00 0.00 O ATOM 1002 CB VAL A 61 4.871 -3.548 -11.307 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.127 -2.240 -11.088 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.498 -4.569 -10.244 1.00 0.00 C ATOM 0 H VAL A 61 2.625 -4.851 -12.618 1.00 0.00 H new ATOM 0 HA VAL A 61 5.075 -3.474 -13.454 1.00 0.00 H new ATOM 0 HB VAL A 61 5.939 -3.347 -11.226 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.343 -1.862 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.449 -1.509 -11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.055 -2.410 -11.188 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.708 -4.159 -9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.436 -4.804 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.082 -5.478 -10.391 1.00 0.00 H new ATOM 1014 N ASP A 62 6.461 -5.634 -12.808 1.00 0.00 N ATOM 1015 CA ASP A 62 7.118 -6.933 -12.896 1.00 0.00 C ATOM 1016 C ASP A 62 8.470 -6.907 -12.191 1.00 0.00 C ATOM 1017 O ASP A 62 9.214 -5.930 -12.288 1.00 0.00 O ATOM 1018 CB ASP A 62 7.299 -7.341 -14.358 1.00 0.00 C ATOM 1019 CG ASP A 62 6.066 -7.061 -15.195 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.797 -5.875 -15.477 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.369 -8.029 -15.566 1.00 0.00 O ATOM 0 H ASP A 62 7.100 -4.842 -12.745 1.00 0.00 H new ATOM 0 HA ASP A 62 6.483 -7.667 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.150 -6.805 -14.779 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.535 -8.404 -14.409 1.00 0.00 H new ATOM 1026 N VAL A 63 8.782 -7.985 -11.479 1.00 0.00 N ATOM 1027 CA VAL A 63 10.045 -8.085 -10.758 1.00 0.00 C ATOM 1028 C VAL A 63 11.205 -7.573 -11.604 1.00 0.00 C ATOM 1029 O VAL A 63 11.511 -8.130 -12.657 1.00 0.00 O ATOM 1030 CB VAL A 63 10.335 -9.537 -10.333 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.654 -9.620 -9.577 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.194 -10.084 -9.491 1.00 0.00 C ATOM 0 H VAL A 63 8.177 -8.801 -11.386 1.00 0.00 H new ATOM 0 HA VAL A 63 9.950 -7.465 -9.867 1.00 0.00 H new ATOM 0 HB VAL A 63 10.419 -10.149 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.842 -10.653 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.464 -9.271 -10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.602 -8.995 -8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.416 -11.111 -9.200 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.075 -9.471 -8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.271 -10.063 -10.071 1.00 0.00 H new ATOM 1042 N GLY A 64 11.847 -6.506 -11.136 1.00 0.00 N ATOM 1043 CA GLY A 64 12.966 -5.937 -11.864 1.00 0.00 C ATOM 1044 C GLY A 64 12.729 -4.490 -12.251 1.00 0.00 C ATOM 1045 O GLY A 64 13.672 -3.760 -12.556 1.00 0.00 O ATOM 0 H GLY A 64 11.612 -6.026 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.866 -6.004 -11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.148 -6.526 -12.763 1.00 0.00 H new ATOM 1049 N ASP A 65 11.468 -4.075 -12.241 1.00 0.00 N ATOM 1050 CA ASP A 65 11.110 -2.707 -12.595 1.00 0.00 C ATOM 1051 C ASP A 65 11.198 -1.790 -11.378 1.00 0.00 C ATOM 1052 O ASP A 65 10.765 -2.150 -10.283 1.00 0.00 O ATOM 1053 CB ASP A 65 9.699 -2.661 -13.182 1.00 0.00 C ATOM 1054 CG ASP A 65 9.595 -3.404 -14.499 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.612 -3.477 -15.220 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.497 -3.909 -14.811 1.00 0.00 O ATOM 0 H ASP A 65 10.676 -4.667 -11.991 1.00 0.00 H new ATOM 0 HA ASP A 65 11.818 -2.355 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.998 -3.093 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.404 -1.622 -13.330 1.00 0.00 H new ATOM 1061 N LYS A 66 11.763 -0.605 -11.577 1.00 0.00 N ATOM 1062 CA LYS A 66 11.909 0.365 -10.497 1.00 0.00 C ATOM 1063 C LYS A 66 10.820 1.430 -10.572 1.00 0.00 C ATOM 1064 O LYS A 66 10.565 1.998 -11.634 1.00 0.00 O ATOM 1065 CB LYS A 66 13.288 1.025 -10.560 1.00 0.00 C ATOM 1066 CG LYS A 66 13.380 2.318 -9.768 1.00 0.00 C ATOM 1067 CD LYS A 66 14.730 2.990 -9.952 1.00 0.00 C ATOM 1068 CE LYS A 66 14.753 3.863 -11.198 1.00 0.00 C ATOM 1069 NZ LYS A 66 15.900 4.814 -11.187 1.00 0.00 N ATOM 0 H LYS A 66 12.128 -0.292 -12.477 1.00 0.00 H new ATOM 0 HA LYS A 66 11.810 -0.165 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.034 0.325 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.537 1.228 -11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.588 2.997 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.217 2.110 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.957 3.598 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.509 2.231 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.814 3.231 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.819 4.421 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.582 5.745 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.268 4.903 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.652 4.458 -11.811 1.00 0.00 H new ATOM 1083 N VAL A 67 10.181 1.697 -9.437 1.00 0.00 N ATOM 1084 CA VAL A 67 9.122 2.698 -9.374 1.00 0.00 C ATOM 1085 C VAL A 67 9.198 3.498 -8.079 1.00 0.00 C ATOM 1086 O VAL A 67 9.951 3.153 -7.168 1.00 0.00 O ATOM 1087 CB VAL A 67 7.729 2.047 -9.480 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.610 1.250 -10.771 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.461 1.163 -8.272 1.00 0.00 C ATOM 0 H VAL A 67 10.378 1.235 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 67 9.269 3.368 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 67 6.978 2.837 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.620 0.797 -10.829 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.756 1.914 -11.623 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.368 0.467 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.473 0.711 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.215 0.378 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.502 1.765 -7.364 1.00 0.00 H new ATOM 1099 N TRP A 68 8.414 4.567 -8.004 1.00 0.00 N ATOM 1100 CA TRP A 68 8.392 5.418 -6.819 1.00 0.00 C ATOM 1101 C TRP A 68 7.189 5.096 -5.940 1.00 0.00 C ATOM 1102 O TRP A 68 6.057 5.035 -6.419 1.00 0.00 O ATOM 1103 CB TRP A 68 8.364 6.892 -7.225 1.00 0.00 C ATOM 1104 CG TRP A 68 9.618 7.344 -7.911 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.838 7.411 -9.257 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.825 7.789 -7.282 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.109 7.871 -9.503 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.735 8.111 -8.309 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.226 7.950 -5.953 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.018 8.582 -8.046 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.500 8.416 -5.694 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.384 8.729 -6.735 1.00 0.00 C ATOM 0 H TRP A 68 7.785 4.866 -8.749 1.00 0.00 H new ATOM 0 HA TRP A 68 9.299 5.224 -6.246 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.515 7.063 -7.887 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.204 7.503 -6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.119 7.142 -10.016 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.520 8.011 -10.426 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.552 7.714 -5.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.701 8.823 -8.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.821 8.541 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.373 9.093 -6.499 1.00 0.00 H new ATOM 1123 N VAL A 69 7.441 4.892 -4.651 1.00 0.00 N ATOM 1124 CA VAL A 69 6.377 4.579 -3.705 1.00 0.00 C ATOM 1125 C VAL A 69 6.429 5.502 -2.493 1.00 0.00 C ATOM 1126 O VAL A 69 7.449 6.139 -2.227 1.00 0.00 O ATOM 1127 CB VAL A 69 6.464 3.117 -3.227 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.397 2.163 -4.410 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.736 2.894 -2.423 1.00 0.00 C ATOM 0 H VAL A 69 8.373 4.938 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 69 5.433 4.727 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 69 5.612 2.914 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.460 1.135 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.455 2.306 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.228 2.363 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.781 1.856 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.603 3.115 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.737 3.551 -1.553 1.00 0.00 H new ATOM 1139 N LYS A 70 5.324 5.570 -1.759 1.00 0.00 N ATOM 1140 CA LYS A 70 5.242 6.414 -0.573 1.00 0.00 C ATOM 1141 C LYS A 70 4.609 5.658 0.591 1.00 0.00 C ATOM 1142 O LYS A 70 3.511 5.114 0.468 1.00 0.00 O ATOM 1143 CB LYS A 70 4.433 7.677 -0.874 1.00 0.00 C ATOM 1144 CG LYS A 70 4.144 8.522 0.354 1.00 0.00 C ATOM 1145 CD LYS A 70 2.948 9.433 0.135 1.00 0.00 C ATOM 1146 CE LYS A 70 1.636 8.693 0.351 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.189 8.759 1.769 1.00 0.00 N ATOM 0 H LYS A 70 4.471 5.050 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 70 6.256 6.698 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.976 8.281 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.489 7.392 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.956 7.872 1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.020 9.123 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.005 10.281 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.977 9.836 -0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.867 9.121 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.754 7.650 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.181 9.014 1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.328 7.832 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.745 9.477 2.275 1.00 0.00 H new ATOM 1161 N LEU A 71 5.308 5.627 1.720 1.00 0.00 N ATOM 1162 CA LEU A 71 4.814 4.938 2.908 1.00 0.00 C ATOM 1163 C LEU A 71 3.474 5.514 3.353 1.00 0.00 C ATOM 1164 O LEU A 71 3.326 6.729 3.494 1.00 0.00 O ATOM 1165 CB LEU A 71 5.831 5.047 4.044 1.00 0.00 C ATOM 1166 CG LEU A 71 5.602 4.120 5.239 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.012 2.697 4.897 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.369 4.620 6.456 1.00 0.00 C ATOM 0 H LEU A 71 6.219 6.071 1.838 1.00 0.00 H new ATOM 0 HA LEU A 71 4.671 3.887 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.822 4.846 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.836 6.076 4.403 1.00 0.00 H new ATOM 0 HG LEU A 71 4.538 4.122 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.842 2.052 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.420 2.340 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.069 2.677 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.195 3.949 7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.435 4.647 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.027 5.622 6.715 1.00 0.00 H new ATOM 1180 N ILE A 72 2.501 4.636 3.573 1.00 0.00 N ATOM 1181 CA ILE A 72 1.175 5.058 4.006 1.00 0.00 C ATOM 1182 C ILE A 72 0.882 4.582 5.425 1.00 0.00 C ATOM 1183 O ILE A 72 0.072 5.175 6.136 1.00 0.00 O ATOM 1184 CB ILE A 72 0.080 4.527 3.063 1.00 0.00 C ATOM 1185 CG1 ILE A 72 -0.034 3.006 3.183 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.378 4.929 1.625 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.863 2.373 2.087 1.00 0.00 C ATOM 0 H ILE A 72 2.606 3.628 3.458 1.00 0.00 H new ATOM 0 HA ILE A 72 1.167 6.148 3.982 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.873 4.968 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.966 2.573 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.474 2.758 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.405 4.546 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.414 6.016 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.339 4.513 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.900 1.294 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.874 2.778 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.412 2.590 1.119 1.00 0.00 H new ATOM 1199 N GLY A 73 1.551 3.507 5.833 1.00 0.00 N ATOM 1200 CA GLY A 73 1.350 2.970 7.166 1.00 0.00 C ATOM 1201 C GLY A 73 2.433 1.987 7.564 1.00 0.00 C ATOM 1202 O GLY A 73 2.549 0.911 6.978 1.00 0.00 O ATOM 0 H GLY A 73 2.228 2.999 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.325 3.789 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.380 2.476 7.213 1.00 0.00 H new ATOM 1206 N ARG A 74 3.228 2.357 8.563 1.00 0.00 N ATOM 1207 CA ARG A 74 4.308 1.501 9.037 1.00 0.00 C ATOM 1208 C ARG A 74 4.087 1.102 10.492 1.00 0.00 C ATOM 1209 O ARG A 74 3.818 1.947 11.343 1.00 0.00 O ATOM 1210 CB ARG A 74 5.654 2.215 8.891 1.00 0.00 C ATOM 1211 CG ARG A 74 5.887 3.295 9.935 1.00 0.00 C ATOM 1212 CD ARG A 74 7.279 3.894 9.815 1.00 0.00 C ATOM 1213 NE ARG A 74 8.276 3.112 10.541 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.436 3.168 11.859 1.00 0.00 C ATOM 1215 NH1 ARG A 74 7.669 3.964 12.590 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.365 2.426 12.447 1.00 0.00 N ATOM 0 H ARG A 74 3.144 3.244 9.059 1.00 0.00 H new ATOM 0 HA ARG A 74 4.316 0.597 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.455 1.479 8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.713 2.662 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.140 4.081 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.756 2.874 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.559 3.952 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.269 4.914 10.199 1.00 0.00 H new ATOM 0 HE ARG A 74 8.882 2.489 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.953 4.536 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.794 4.005 13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.957 1.812 11.887 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.487 2.469 13.459 1.00 0.00 H new ATOM 1230 N GLU A 75 4.203 -0.194 10.769 1.00 0.00 N ATOM 1231 CA GLU A 75 4.014 -0.705 12.121 1.00 0.00 C ATOM 1232 C GLU A 75 5.012 -1.818 12.427 1.00 0.00 C ATOM 1233 O GLU A 75 5.087 -2.814 11.708 1.00 0.00 O ATOM 1234 CB GLU A 75 2.585 -1.223 12.299 1.00 0.00 C ATOM 1235 CG GLU A 75 1.598 -0.150 12.728 1.00 0.00 C ATOM 1236 CD GLU A 75 0.167 -0.650 12.747 1.00 0.00 C ATOM 1237 OE1 GLU A 75 -0.069 -1.758 13.272 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -0.719 0.069 12.237 1.00 0.00 O ATOM 0 H GLU A 75 4.427 -0.908 10.075 1.00 0.00 H new ATOM 0 HA GLU A 75 4.185 0.115 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.247 -1.662 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.587 -2.021 13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.867 0.210 13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.673 0.700 12.050 1.00 0.00 H new ATOM 1245 N MET A 76 5.778 -1.641 13.499 1.00 0.00 N ATOM 1246 CA MET A 76 6.772 -2.629 13.900 1.00 0.00 C ATOM 1247 C MET A 76 6.420 -3.234 15.255 1.00 0.00 C ATOM 1248 O MET A 76 6.431 -2.546 16.276 1.00 0.00 O ATOM 1249 CB MET A 76 8.162 -1.993 13.958 1.00 0.00 C ATOM 1250 CG MET A 76 9.175 -2.817 14.736 1.00 0.00 C ATOM 1251 SD MET A 76 9.218 -2.392 16.487 1.00 0.00 S ATOM 1252 CE MET A 76 10.311 -3.664 17.117 1.00 0.00 C ATOM 0 H MET A 76 5.729 -0.822 14.105 1.00 0.00 H new ATOM 0 HA MET A 76 6.777 -3.425 13.156 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.528 -1.847 12.942 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.082 -1.006 14.413 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.936 -3.875 14.629 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.165 -2.669 14.306 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.437 -3.535 18.192 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.881 -4.645 16.917 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.281 -3.586 16.626 1.00 0.00 H new ATOM 1262 N LYS A 77 6.107 -4.525 15.259 1.00 0.00 N ATOM 1263 CA LYS A 77 5.752 -5.224 16.489 1.00 0.00 C ATOM 1264 C LYS A 77 6.745 -6.344 16.783 1.00 0.00 C ATOM 1265 O LYS A 77 7.236 -7.006 15.871 1.00 0.00 O ATOM 1266 CB LYS A 77 4.337 -5.797 16.384 1.00 0.00 C ATOM 1267 CG LYS A 77 3.637 -5.937 17.725 1.00 0.00 C ATOM 1268 CD LYS A 77 2.196 -6.389 17.556 1.00 0.00 C ATOM 1269 CE LYS A 77 1.281 -5.222 17.218 1.00 0.00 C ATOM 1270 NZ LYS A 77 -0.124 -5.664 17.000 1.00 0.00 N ATOM 0 H LYS A 77 6.092 -5.109 14.423 1.00 0.00 H new ATOM 0 HA LYS A 77 5.787 -4.506 17.309 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.740 -5.153 15.737 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.384 -6.775 15.904 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.175 -6.655 18.344 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.661 -4.982 18.251 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.139 -7.138 16.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.854 -6.867 18.474 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.311 -4.491 18.026 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.647 -4.721 16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.716 -4.840 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.156 -6.342 16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.483 -6.119 17.863 1.00 0.00 H new ATOM 1284 N ASN A 78 7.034 -6.550 18.064 1.00 0.00 N ATOM 1285 CA ASN A 78 7.967 -7.592 18.479 1.00 0.00 C ATOM 1286 C ASN A 78 7.479 -8.968 18.037 1.00 0.00 C ATOM 1287 O ASN A 78 8.231 -9.942 18.061 1.00 0.00 O ATOM 1288 CB ASN A 78 8.150 -7.566 19.997 1.00 0.00 C ATOM 1289 CG ASN A 78 8.384 -6.165 20.529 1.00 0.00 C ATOM 1290 OD1 ASN A 78 9.059 -5.354 19.895 1.00 0.00 O ATOM 1291 ND2 ASN A 78 7.827 -5.875 21.698 1.00 0.00 N ATOM 0 H ASN A 78 6.636 -6.010 18.832 1.00 0.00 H new ATOM 0 HA ASN A 78 8.927 -7.397 18.001 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.266 -7.989 20.474 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.994 -8.200 20.269 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.951 -4.948 22.106 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.275 -6.579 22.189 1.00 0.00 H new ATOM 1298 N ASP A 79 6.216 -9.039 17.633 1.00 0.00 N ATOM 1299 CA ASP A 79 5.626 -10.295 17.183 1.00 0.00 C ATOM 1300 C ASP A 79 5.611 -10.374 15.660 1.00 0.00 C ATOM 1301 O ASP A 79 5.640 -11.462 15.084 1.00 0.00 O ATOM 1302 CB ASP A 79 4.205 -10.441 17.729 1.00 0.00 C ATOM 1303 CG ASP A 79 4.170 -11.124 19.081 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.920 -12.105 19.270 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.394 -10.678 19.951 1.00 0.00 O ATOM 0 H ASP A 79 5.580 -8.242 17.608 1.00 0.00 H new ATOM 0 HA ASP A 79 6.238 -11.112 17.564 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.748 -9.455 17.812 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.604 -11.012 17.021 1.00 0.00 H new ATOM 1310 N ARG A 80 5.562 -9.213 15.013 1.00 0.00 N ATOM 1311 CA ARG A 80 5.541 -9.151 13.557 1.00 0.00 C ATOM 1312 C ARG A 80 5.606 -7.706 13.074 1.00 0.00 C ATOM 1313 O ARG A 80 5.186 -6.786 13.777 1.00 0.00 O ATOM 1314 CB ARG A 80 4.278 -9.824 13.016 1.00 0.00 C ATOM 1315 CG ARG A 80 2.998 -9.073 13.346 1.00 0.00 C ATOM 1316 CD ARG A 80 1.769 -9.825 12.858 1.00 0.00 C ATOM 1317 NE ARG A 80 1.978 -10.418 11.540 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.500 -11.625 11.352 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.863 -12.363 12.392 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.659 -12.095 10.122 1.00 0.00 N ATOM 0 H ARG A 80 5.536 -8.304 15.475 1.00 0.00 H new ATOM 0 HA ARG A 80 6.417 -9.681 13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.363 -9.921 11.934 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.212 -10.833 13.422 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.930 -8.923 14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.027 -8.084 12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.516 -10.609 13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.919 -9.144 12.818 1.00 0.00 H new ATOM 0 HE ARG A 80 1.709 -9.876 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.742 -12.004 13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.264 -13.289 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.380 -11.530 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.060 -13.022 9.978 1.00 0.00 H new ATOM 1334 N ILE A 81 6.137 -7.513 11.871 1.00 0.00 N ATOM 1335 CA ILE A 81 6.257 -6.180 11.293 1.00 0.00 C ATOM 1336 C ILE A 81 5.381 -6.036 10.054 1.00 0.00 C ATOM 1337 O ILE A 81 5.430 -6.865 9.145 1.00 0.00 O ATOM 1338 CB ILE A 81 7.716 -5.859 10.917 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.606 -5.895 12.161 1.00 0.00 C ATOM 1340 CG2 ILE A 81 7.800 -4.500 10.238 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.080 -5.756 11.853 1.00 0.00 C ATOM 0 H ILE A 81 6.491 -8.263 11.278 1.00 0.00 H new ATOM 0 HA ILE A 81 5.923 -5.475 12.054 1.00 0.00 H new ATOM 0 HB ILE A 81 8.071 -6.616 10.218 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.307 -5.093 12.835 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.440 -6.834 12.689 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.837 -4.287 9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.193 -4.507 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.430 -3.731 10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.650 -5.790 12.781 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.395 -6.573 11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.259 -4.805 11.352 1.00 0.00 H new ATOM 1353 N LYS A 82 4.579 -4.977 10.024 1.00 0.00 N ATOM 1354 CA LYS A 82 3.692 -4.720 8.895 1.00 0.00 C ATOM 1355 C LYS A 82 4.003 -3.371 8.254 1.00 0.00 C ATOM 1356 O LYS A 82 3.991 -2.338 8.923 1.00 0.00 O ATOM 1357 CB LYS A 82 2.231 -4.757 9.348 1.00 0.00 C ATOM 1358 CG LYS A 82 1.272 -5.229 8.270 1.00 0.00 C ATOM 1359 CD LYS A 82 1.041 -6.730 8.345 1.00 0.00 C ATOM 1360 CE LYS A 82 2.030 -7.489 7.474 1.00 0.00 C ATOM 1361 NZ LYS A 82 1.914 -7.105 6.040 1.00 0.00 N ATOM 0 H LYS A 82 4.525 -4.282 10.769 1.00 0.00 H new ATOM 0 HA LYS A 82 3.855 -5.501 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.144 -5.415 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.935 -3.760 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.320 -4.708 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.670 -4.970 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.135 -7.063 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.024 -6.959 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.044 -7.294 7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.858 -8.560 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.193 -7.909 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.930 -6.842 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.538 -6.296 5.846 1.00 0.00 H new ATOM 1375 N VAL A 83 4.280 -3.388 6.954 1.00 0.00 N ATOM 1376 CA VAL A 83 4.591 -2.166 6.223 1.00 0.00 C ATOM 1377 C VAL A 83 3.777 -2.072 4.937 1.00 0.00 C ATOM 1378 O VAL A 83 3.683 -3.036 4.179 1.00 0.00 O ATOM 1379 CB VAL A 83 6.089 -2.086 5.875 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.886 -1.564 7.061 1.00 0.00 C ATOM 1381 CG2 VAL A 83 6.606 -3.447 5.432 1.00 0.00 C ATOM 0 H VAL A 83 4.295 -4.235 6.386 1.00 0.00 H new ATOM 0 HA VAL A 83 4.332 -1.333 6.876 1.00 0.00 H new ATOM 0 HB VAL A 83 6.215 -1.388 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.942 -1.514 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.532 -0.568 7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.756 -2.235 7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.666 -3.372 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.468 -4.168 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.055 -3.776 4.551 1.00 0.00 H new ATOM 1391 N SER A 84 3.189 -0.903 4.701 1.00 0.00 N ATOM 1392 CA SER A 84 2.379 -0.683 3.508 1.00 0.00 C ATOM 1393 C SER A 84 2.860 0.547 2.744 1.00 0.00 C ATOM 1394 O SER A 84 3.234 1.557 3.342 1.00 0.00 O ATOM 1395 CB SER A 84 0.907 -0.518 3.889 1.00 0.00 C ATOM 1396 OG SER A 84 0.239 -1.769 3.898 1.00 0.00 O ATOM 0 H SER A 84 3.258 -0.095 5.319 1.00 0.00 H new ATOM 0 HA SER A 84 2.484 -1.554 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.832 -0.055 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.418 0.154 3.183 1.00 0.00 H new ATOM 0 HG SER A 84 -0.700 -1.637 4.146 1.00 0.00 H new ATOM 1402 N LEU A 85 2.846 0.454 1.418 1.00 0.00 N ATOM 1403 CA LEU A 85 3.280 1.560 0.571 1.00 0.00 C ATOM 1404 C LEU A 85 2.235 1.872 -0.495 1.00 0.00 C ATOM 1405 O LEU A 85 1.355 1.058 -0.772 1.00 0.00 O ATOM 1406 CB LEU A 85 4.617 1.225 -0.093 1.00 0.00 C ATOM 1407 CG LEU A 85 5.691 0.635 0.822 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.890 0.173 0.007 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.116 1.652 1.870 1.00 0.00 C ATOM 0 H LEU A 85 2.539 -0.374 0.907 1.00 0.00 H new ATOM 0 HA LEU A 85 3.404 2.441 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.431 0.520 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.013 2.134 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 85 5.270 -0.230 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.644 -0.244 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.574 -0.589 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.312 1.021 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.881 1.215 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.519 2.536 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.253 1.935 2.474 1.00 0.00 H new ATOM 1421 N SER A 86 2.338 3.056 -1.090 1.00 0.00 N ATOM 1422 CA SER A 86 1.400 3.476 -2.124 1.00 0.00 C ATOM 1423 C SER A 86 2.140 3.899 -3.390 1.00 0.00 C ATOM 1424 O SER A 86 3.245 4.437 -3.325 1.00 0.00 O ATOM 1425 CB SER A 86 0.534 4.630 -1.617 1.00 0.00 C ATOM 1426 OG SER A 86 -0.281 5.151 -2.655 1.00 0.00 O ATOM 0 H SER A 86 3.062 3.741 -0.874 1.00 0.00 H new ATOM 0 HA SER A 86 0.759 2.628 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.094 4.284 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.171 5.420 -1.220 1.00 0.00 H new ATOM 0 HG SER A 86 -1.171 5.357 -2.300 1.00 0.00 H new ATOM 1432 N MET A 87 1.523 3.650 -4.540 1.00 0.00 N ATOM 1433 CA MET A 87 2.122 4.006 -5.821 1.00 0.00 C ATOM 1434 C MET A 87 1.216 4.953 -6.600 1.00 0.00 C ATOM 1435 O MET A 87 1.672 5.676 -7.487 1.00 0.00 O ATOM 1436 CB MET A 87 2.396 2.747 -6.647 1.00 0.00 C ATOM 1437 CG MET A 87 3.568 1.927 -6.135 1.00 0.00 C ATOM 1438 SD MET A 87 3.687 0.313 -6.931 1.00 0.00 S ATOM 1439 CE MET A 87 3.837 0.795 -8.650 1.00 0.00 C ATOM 0 H MET A 87 0.609 3.203 -4.611 1.00 0.00 H new ATOM 0 HA MET A 87 3.066 4.515 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.502 2.124 -6.652 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.589 3.035 -7.680 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.493 2.479 -6.302 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.468 1.790 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.525 0.119 -9.159 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.859 0.745 -9.129 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.219 1.814 -8.710 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.070 4.944 -6.267 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.041 5.802 -6.934 1.00 0.00 C ATOM 1451 C LYS A 88 -0.961 7.230 -6.402 1.00 0.00 C ATOM 1452 O LYS A 88 -1.523 8.154 -6.990 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.456 5.254 -6.741 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.002 5.460 -5.340 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.412 4.908 -5.204 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.817 4.767 -3.745 1.00 0.00 C ATOM 1457 NZ LYS A 88 -5.262 6.064 -3.164 1.00 0.00 N ATOM 0 H LYS A 88 -0.464 4.350 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.805 5.815 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.123 5.735 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.458 4.188 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.348 4.971 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.002 6.524 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.113 5.568 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.473 3.937 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.622 4.036 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.975 4.382 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.109 6.054 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.715 6.840 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.273 6.204 -3.362 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.259 7.403 -5.288 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.104 8.718 -4.677 1.00 0.00 C ATOM 1473 C VAL A 89 1.291 9.280 -4.931 1.00 0.00 C ATOM 1474 O VAL A 89 1.702 10.257 -4.305 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.357 8.666 -3.160 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.775 8.201 -2.870 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.660 7.761 -2.480 1.00 0.00 C ATOM 0 H VAL A 89 0.212 6.648 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.845 9.371 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.241 9.672 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.935 8.171 -1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.485 8.893 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.924 7.205 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.466 7.736 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.579 6.753 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.665 8.145 -2.658 1.00 0.00 H new ATOM 1487 N VAL A 90 2.017 8.655 -5.852 1.00 0.00 N ATOM 1488 CA VAL A 90 3.366 9.093 -6.190 1.00 0.00 C ATOM 1489 C VAL A 90 3.596 9.052 -7.696 1.00 0.00 C ATOM 1490 O VAL A 90 3.330 8.044 -8.348 1.00 0.00 O ATOM 1491 CB VAL A 90 4.430 8.222 -5.495 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.825 8.755 -5.779 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.169 8.156 -3.999 1.00 0.00 C ATOM 0 H VAL A 90 1.693 7.843 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 90 3.462 10.120 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 90 4.366 7.211 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.563 8.127 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.007 8.744 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.907 9.776 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.930 7.537 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.205 9.161 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.185 7.723 -3.820 1.00 0.00 H new ATOM 1503 N ASN A 91 4.094 10.157 -8.244 1.00 0.00 N ATOM 1504 CA ASN A 91 4.360 10.248 -9.675 1.00 0.00 C ATOM 1505 C ASN A 91 5.395 9.212 -10.102 1.00 0.00 C ATOM 1506 O ASN A 91 6.432 9.055 -9.458 1.00 0.00 O ATOM 1507 CB ASN A 91 4.848 11.652 -10.036 1.00 0.00 C ATOM 1508 CG ASN A 91 4.703 11.952 -11.515 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.163 11.187 -12.362 1.00 0.00 O ATOM 1510 ND2 ASN A 91 4.063 13.072 -11.831 1.00 0.00 N ATOM 0 H ASN A 91 4.321 11.001 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 91 3.430 10.047 -10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.285 12.388 -9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.894 11.755 -9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.936 13.328 -12.810 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.698 13.676 -11.095 1.00 0.00 H new ATOM 1517 N GLN A 92 5.105 8.509 -11.192 1.00 0.00 N ATOM 1518 CA GLN A 92 6.011 7.488 -11.706 1.00 0.00 C ATOM 1519 C GLN A 92 6.855 8.035 -12.852 1.00 0.00 C ATOM 1520 O GLN A 92 6.940 7.427 -13.918 1.00 0.00 O ATOM 1521 CB GLN A 92 5.221 6.265 -12.175 1.00 0.00 C ATOM 1522 CG GLN A 92 4.143 5.825 -11.199 1.00 0.00 C ATOM 1523 CD GLN A 92 4.703 5.448 -9.841 1.00 0.00 C ATOM 1524 OE1 GLN A 92 5.883 5.123 -9.712 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.857 5.491 -8.818 1.00 0.00 N ATOM 0 H GLN A 92 4.250 8.627 -11.736 1.00 0.00 H new ATOM 0 HA GLN A 92 6.680 7.191 -10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.759 6.488 -13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.912 5.438 -12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.418 6.630 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.607 4.973 -11.616 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.887 5.766 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.178 5.249 -7.880 1.00 0.00 H new ATOM 1534 N GLY A 93 7.476 9.188 -12.625 1.00 0.00 N ATOM 1535 CA GLY A 93 8.304 9.799 -13.649 1.00 0.00 C ATOM 1536 C GLY A 93 9.324 10.761 -13.073 1.00 0.00 C ATOM 1537 O GLY A 93 10.443 10.866 -13.574 1.00 0.00 O ATOM 0 H GLY A 93 7.421 9.710 -11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.820 9.018 -14.208 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.668 10.330 -14.357 1.00 0.00 H new ATOM 1541 N THR A 94 8.935 11.468 -12.016 1.00 0.00 N ATOM 1542 CA THR A 94 9.823 12.429 -11.372 1.00 0.00 C ATOM 1543 C THR A 94 9.965 12.135 -9.884 1.00 0.00 C ATOM 1544 O THR A 94 10.930 12.555 -9.247 1.00 0.00 O ATOM 1545 CB THR A 94 9.313 13.872 -11.553 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.023 14.015 -10.947 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.231 14.237 -13.027 1.00 0.00 C ATOM 0 H THR A 94 8.012 11.393 -11.588 1.00 0.00 H new ATOM 0 HA THR A 94 10.797 12.332 -11.852 1.00 0.00 H new ATOM 0 HB THR A 94 10.018 14.547 -11.068 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.706 14.935 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.869 15.260 -13.129 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.220 14.156 -13.477 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.545 13.557 -13.533 1.00 0.00 H new ATOM 1555 N GLY A 95 8.997 11.409 -9.333 1.00 0.00 N ATOM 1556 CA GLY A 95 9.033 11.070 -7.922 1.00 0.00 C ATOM 1557 C GLY A 95 8.508 12.187 -7.044 1.00 0.00 C ATOM 1558 O GLY A 95 8.912 12.322 -5.888 1.00 0.00 O ATOM 0 H GLY A 95 8.188 11.049 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.441 10.170 -7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.058 10.837 -7.634 1.00 0.00 H new ATOM 1562 N LYS A 96 7.605 12.994 -7.592 1.00 0.00 N ATOM 1563 CA LYS A 96 7.023 14.106 -6.852 1.00 0.00 C ATOM 1564 C LYS A 96 5.755 13.672 -6.123 1.00 0.00 C ATOM 1565 O LYS A 96 4.927 12.949 -6.676 1.00 0.00 O ATOM 1566 CB LYS A 96 6.707 15.266 -7.799 1.00 0.00 C ATOM 1567 CG LYS A 96 6.658 16.619 -7.109 1.00 0.00 C ATOM 1568 CD LYS A 96 6.712 17.759 -8.113 1.00 0.00 C ATOM 1569 CE LYS A 96 8.118 17.957 -8.655 1.00 0.00 C ATOM 1570 NZ LYS A 96 8.123 18.776 -9.899 1.00 0.00 N ATOM 0 H LYS A 96 7.261 12.898 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 96 7.751 14.437 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.460 15.296 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.748 15.079 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.744 16.695 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.494 16.705 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.029 17.552 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.371 18.679 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.734 18.443 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.569 16.986 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.100 18.888 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.556 18.301 -10.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.716 19.712 -9.700 1.00 0.00 H new ATOM 1584 N ASP A 97 5.611 14.118 -4.880 1.00 0.00 N ATOM 1585 CA ASP A 97 4.443 13.777 -4.076 1.00 0.00 C ATOM 1586 C ASP A 97 3.164 14.285 -4.733 1.00 0.00 C ATOM 1587 O ASP A 97 3.073 15.451 -5.121 1.00 0.00 O ATOM 1588 CB ASP A 97 4.576 14.362 -2.669 1.00 0.00 C ATOM 1589 CG ASP A 97 3.232 14.690 -2.049 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.553 13.756 -1.576 1.00 0.00 O ATOM 1591 OD2 ASP A 97 2.860 15.882 -2.038 1.00 0.00 O ATOM 0 H ASP A 97 6.288 14.716 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 97 4.387 12.691 -4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.103 13.652 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.184 15.266 -2.710 1.00 0.00 H new ATOM 1596 N LEU A 98 2.177 13.404 -4.856 1.00 0.00 N ATOM 1597 CA LEU A 98 0.902 13.764 -5.467 1.00 0.00 C ATOM 1598 C LEU A 98 -0.190 13.899 -4.410 1.00 0.00 C ATOM 1599 O LEU A 98 -1.316 14.295 -4.714 1.00 0.00 O ATOM 1600 CB LEU A 98 0.496 12.714 -6.504 1.00 0.00 C ATOM 1601 CG LEU A 98 1.516 12.433 -7.608 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.128 11.186 -8.388 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.637 13.631 -8.539 1.00 0.00 C ATOM 0 H LEU A 98 2.235 12.436 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 98 1.024 14.727 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.287 11.780 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.436 13.034 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 98 2.487 12.259 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.865 11.002 -9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.093 10.331 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.147 11.331 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.367 13.414 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.669 13.836 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.962 14.502 -7.970 1.00 0.00 H new ATOM 1615 N ASP A 99 0.152 13.570 -3.169 1.00 0.00 N ATOM 1616 CA ASP A 99 -0.798 13.660 -2.066 1.00 0.00 C ATOM 1617 C ASP A 99 -0.184 14.392 -0.878 1.00 0.00 C ATOM 1618 O ASP A 99 0.289 13.783 0.082 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.250 12.261 -1.641 1.00 0.00 C ATOM 1620 CG ASP A 99 -0.135 11.466 -0.990 1.00 0.00 C ATOM 1621 OD1 ASP A 99 0.956 11.373 -1.591 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -0.355 10.934 0.118 1.00 0.00 O ATOM 0 H ASP A 99 1.079 13.239 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.664 14.226 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.085 12.348 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.617 11.720 -2.513 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.189 15.732 -0.941 1.00 0.00 N ATOM 1628 CA PRO A 100 0.364 16.577 0.121 1.00 0.00 C ATOM 1629 C PRO A 100 -0.477 16.537 1.391 1.00 0.00 C ATOM 1630 O PRO A 100 -0.179 17.224 2.368 1.00 0.00 O ATOM 1631 CB PRO A 100 0.340 17.980 -0.492 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.744 17.928 -1.513 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.735 16.525 -2.056 1.00 0.00 C ATOM 0 HA PRO A 100 1.357 16.248 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.136 18.739 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.299 18.231 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.710 18.168 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.568 18.655 -2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.736 16.194 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.115 16.443 -2.949 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.531 15.727 1.373 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.417 15.597 2.524 1.00 0.00 C ATOM 1643 C ASN A 101 -2.304 14.206 3.143 1.00 0.00 C ATOM 1644 O ASN A 101 -2.479 14.037 4.349 1.00 0.00 O ATOM 1645 CB ASN A 101 -3.865 15.869 2.113 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.317 14.985 0.967 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.496 14.409 0.253 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.627 14.874 0.785 1.00 0.00 N ATOM 0 H ASN A 101 -1.792 15.150 0.573 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.114 16.333 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.519 15.710 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.967 16.915 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.989 14.293 0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.271 15.370 1.401 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.011 13.215 2.308 1.00 0.00 N ATOM 1656 CA ASN A 102 -1.875 11.839 2.772 1.00 0.00 C ATOM 1657 C ASN A 102 -3.069 11.434 3.631 1.00 0.00 C ATOM 1658 O ASN A 102 -2.908 10.955 4.753 1.00 0.00 O ATOM 1659 CB ASN A 102 -0.580 11.675 3.570 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.173 12.951 4.283 1.00 0.00 C ATOM 1661 OD1 ASN A 102 -0.474 13.139 5.461 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.515 13.833 3.568 1.00 0.00 N ATOM 0 H ASN A 102 -1.863 13.339 1.306 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.841 11.188 1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.706 10.878 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.221 11.367 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.817 14.710 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.742 13.634 2.594 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.270 11.631 3.095 1.00 0.00 N ATOM 1670 CA VAL A 103 -5.492 11.286 3.810 1.00 0.00 C ATOM 1671 C VAL A 103 -6.303 10.247 3.043 1.00 0.00 C ATOM 1672 O VAL A 103 -7.132 9.542 3.619 1.00 0.00 O ATOM 1673 CB VAL A 103 -6.370 12.527 4.055 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -6.916 13.063 2.740 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -7.501 12.199 5.017 1.00 0.00 C ATOM 0 H VAL A 103 -4.422 12.028 2.168 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.189 10.870 4.771 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.753 13.303 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.534 13.940 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.088 13.339 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.518 12.294 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.111 13.088 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.119 11.406 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -7.085 11.867 5.968 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.057 10.158 1.740 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.763 9.204 0.893 1.00 0.00 C ATOM 1687 C ILE A 104 -6.681 7.794 1.468 1.00 0.00 C ATOM 1688 O ILE A 104 -7.681 7.078 1.527 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.199 9.197 -0.540 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -6.444 10.548 -1.214 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.826 8.072 -1.350 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -5.327 11.544 -0.996 1.00 0.00 C ATOM 0 H ILE A 104 -5.374 10.735 1.248 1.00 0.00 H new ATOM 0 HA ILE A 104 -7.805 9.521 0.861 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.123 9.027 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.577 10.392 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.375 10.970 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.418 8.080 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.604 7.116 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.906 8.214 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -5.569 12.479 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.208 11.730 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.398 11.143 -1.400 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.484 7.402 1.890 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.272 6.078 2.462 1.00 0.00 C ATOM 1706 C ILE A 105 -6.071 5.900 3.748 1.00 0.00 C ATOM 1707 O ILE A 105 -6.313 4.778 4.189 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.782 5.825 2.759 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.273 6.814 3.809 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.962 5.932 1.482 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.423 6.317 5.230 1.00 0.00 C ATOM 0 H ILE A 105 -4.646 7.982 1.847 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.615 5.356 1.721 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.672 4.815 3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.222 7.027 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.813 7.755 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.911 5.751 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.311 5.192 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.075 6.930 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.042 7.069 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.476 6.131 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.859 5.392 5.353 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.481 7.016 4.343 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.255 6.983 5.578 1.00 0.00 C ATOM 1725 C GLU A 106 -8.635 6.377 5.339 1.00 0.00 C ATOM 1726 O GLU A 106 -9.416 6.882 4.531 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.398 8.393 6.155 1.00 0.00 C ATOM 1728 CG GLU A 106 -7.926 8.417 7.579 1.00 0.00 C ATOM 1729 CD GLU A 106 -8.609 9.726 7.927 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -9.189 10.353 7.016 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.561 10.123 9.110 1.00 0.00 O ATOM 0 H GLU A 106 -6.290 7.954 3.990 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.722 6.358 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.427 8.888 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.068 8.971 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.631 7.597 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.101 8.247 8.271 1.00 0.00 H new