USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 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 48 HIS : no HD1:sc= -0.283 X(o=-2.5,f=-2.9) USER MOD Set 1.2: A 86 SER OG : rot 104:sc= -2.25! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -140:sc= -0.164 USER MOD Single : A 20 GLN : amide:sc= -4.92! C(o=-4.9!,f=-6.1!) USER MOD Single : A 25 MET CE :methyl 140:sc= -0.173 (180deg=-0.621) USER MOD Single : A 27 THR OG1 : rot 147:sc= 0.731 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 19:sc= -0.0862 USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 0.624 (180deg=0.379) USER MOD Single : A 41 GLN : amide:sc= -1.64 K(o=-1.6,f=-9!) USER MOD Single : A 45 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-6.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 171:sc= -0.618 (180deg=-0.682) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.128 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0116 (180deg=-0.206) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= -0.0654 (180deg=-0.108) USER MOD Single : A 76 MET CE :methyl -152:sc= 0 (180deg=-0.00373) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -164:sc= -0.0128 (180deg=-0.17) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.486 (180deg=-1.57) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0501) USER MOD Single : A 91 ASN : amide:sc= -0.91 K(o=-0.91,f=-8.2!) USER MOD Single : A 92 GLN : amide:sc= -1.01 K(o=-1,f=-8.3!) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00675 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc=-0.00615! C(o=-0.0061!,f=-5.7!) USER MOD Single : A 102 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.854 2.127 7.986 1.00 0.00 N ATOM 229 CA LEU A 12 13.673 2.491 7.209 1.00 0.00 C ATOM 230 C LEU A 12 13.418 3.994 7.280 1.00 0.00 C ATOM 231 O LEU A 12 13.778 4.665 8.247 1.00 0.00 O ATOM 232 CB LEU A 12 12.449 1.730 7.720 1.00 0.00 C ATOM 233 CG LEU A 12 12.401 0.237 7.391 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.430 -0.482 8.316 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.014 0.023 5.936 1.00 0.00 C ATOM 0 HA LEU A 12 13.854 2.220 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.401 1.845 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.556 2.201 7.310 1.00 0.00 H new ATOM 0 HG LEU A 12 13.395 -0.182 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.409 -1.543 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.753 -0.358 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.432 -0.061 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.985 -1.045 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.031 0.457 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.748 0.504 5.290 1.00 0.00 H new ATOM 247 N PRO A 13 12.779 4.535 6.232 1.00 0.00 N ATOM 248 CA PRO A 13 12.458 5.963 6.151 1.00 0.00 C ATOM 249 C PRO A 13 11.377 6.371 7.146 1.00 0.00 C ATOM 250 O PRO A 13 10.946 5.568 7.974 1.00 0.00 O ATOM 251 CB PRO A 13 11.957 6.134 4.716 1.00 0.00 C ATOM 252 CG PRO A 13 11.448 4.788 4.330 1.00 0.00 C ATOM 253 CD PRO A 13 12.321 3.795 5.045 1.00 0.00 C ATOM 0 HA PRO A 13 13.317 6.588 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.170 6.886 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.759 6.459 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.404 4.668 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.499 4.646 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.767 2.898 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.157 3.475 4.424 1.00 0.00 H new ATOM 261 N ALA A 14 10.941 7.624 7.058 1.00 0.00 N ATOM 262 CA ALA A 14 9.908 8.137 7.950 1.00 0.00 C ATOM 263 C ALA A 14 8.523 7.981 7.331 1.00 0.00 C ATOM 264 O ALA A 14 8.390 7.581 6.173 1.00 0.00 O ATOM 265 CB ALA A 14 10.177 9.596 8.284 1.00 0.00 C ATOM 0 H ALA A 14 11.287 8.302 6.379 1.00 0.00 H new ATOM 0 HA ALA A 14 9.934 7.554 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.398 9.966 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.146 9.684 8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.179 10.185 7.367 1.00 0.00 H new ATOM 271 N LEU A 15 7.494 8.297 8.108 1.00 0.00 N ATOM 272 CA LEU A 15 6.117 8.191 7.637 1.00 0.00 C ATOM 273 C LEU A 15 5.848 9.190 6.516 1.00 0.00 C ATOM 274 O LEU A 15 6.335 10.320 6.547 1.00 0.00 O ATOM 275 CB LEU A 15 5.143 8.427 8.791 1.00 0.00 C ATOM 276 CG LEU A 15 3.686 8.042 8.529 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.571 6.553 8.243 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.810 8.429 9.713 1.00 0.00 C ATOM 0 H LEU A 15 7.586 8.629 9.068 1.00 0.00 H new ATOM 0 HA LEU A 15 5.969 7.185 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.495 7.868 9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.176 9.483 9.058 1.00 0.00 H new ATOM 0 HG LEU A 15 3.338 8.588 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.527 6.297 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.166 6.304 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.937 5.988 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.777 8.148 9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.157 7.911 10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.868 9.506 9.872 1.00 0.00 H new ATOM 290 N TYR A 16 5.067 8.766 5.528 1.00 0.00 N ATOM 291 CA TYR A 16 4.732 9.624 4.397 1.00 0.00 C ATOM 292 C TYR A 16 5.983 9.998 3.608 1.00 0.00 C ATOM 293 O TYR A 16 6.024 11.031 2.938 1.00 0.00 O ATOM 294 CB TYR A 16 4.022 10.888 4.881 1.00 0.00 C ATOM 295 CG TYR A 16 2.695 10.619 5.553 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.821 9.663 5.049 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.314 11.320 6.691 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.607 9.413 5.660 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.103 11.076 7.309 1.00 0.00 C ATOM 300 CZ TYR A 16 0.252 10.123 6.790 1.00 0.00 C ATOM 301 OH TYR A 16 -0.956 9.878 7.400 1.00 0.00 O ATOM 0 H TYR A 16 4.654 7.834 5.487 1.00 0.00 H new ATOM 0 HA TYR A 16 4.062 9.070 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.673 11.415 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.861 11.552 4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.095 9.106 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.977 12.069 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.061 8.666 5.256 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.824 11.629 8.194 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.052 10.461 8.182 1.00 0.00 H new ATOM 311 N THR A 17 7.004 9.151 3.693 1.00 0.00 N ATOM 312 CA THR A 17 8.258 9.392 2.990 1.00 0.00 C ATOM 313 C THR A 17 8.239 8.761 1.602 1.00 0.00 C ATOM 314 O THR A 17 7.816 7.616 1.436 1.00 0.00 O ATOM 315 CB THR A 17 9.460 8.838 3.777 1.00 0.00 C ATOM 316 OG1 THR A 17 9.659 9.604 4.970 1.00 0.00 O ATOM 317 CG2 THR A 17 10.723 8.870 2.930 1.00 0.00 C ATOM 0 H THR A 17 6.987 8.292 4.242 1.00 0.00 H new ATOM 0 HA THR A 17 8.364 10.473 2.894 1.00 0.00 H new ATOM 0 HB THR A 17 9.247 7.803 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.619 9.735 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.558 8.474 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.578 8.262 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.939 9.898 2.638 1.00 0.00 H new ATOM 325 N ILE A 18 8.701 9.513 0.609 1.00 0.00 N ATOM 326 CA ILE A 18 8.739 9.025 -0.764 1.00 0.00 C ATOM 327 C ILE A 18 10.145 8.580 -1.151 1.00 0.00 C ATOM 328 O ILE A 18 11.108 9.333 -1.009 1.00 0.00 O ATOM 329 CB ILE A 18 8.262 10.101 -1.757 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.742 10.258 -1.682 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.694 9.745 -3.172 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.217 11.438 -2.470 1.00 0.00 C ATOM 0 H ILE A 18 9.054 10.462 0.729 1.00 0.00 H new ATOM 0 HA ILE A 18 8.064 8.171 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 18 8.720 11.052 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.272 9.347 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.447 10.368 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.349 10.515 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.781 9.679 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.261 8.785 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.133 11.488 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.659 12.357 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.481 11.320 -3.521 1.00 0.00 H new ATOM 344 N PHE A 19 10.256 7.349 -1.641 1.00 0.00 N ATOM 345 CA PHE A 19 11.545 6.803 -2.051 1.00 0.00 C ATOM 346 C PHE A 19 11.396 5.928 -3.292 1.00 0.00 C ATOM 347 O PHE A 19 10.293 5.504 -3.635 1.00 0.00 O ATOM 348 CB PHE A 19 12.162 5.989 -0.911 1.00 0.00 C ATOM 349 CG PHE A 19 11.202 5.027 -0.272 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.855 3.846 -0.910 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.642 5.303 0.965 1.00 0.00 C ATOM 352 CE1 PHE A 19 9.972 2.959 -0.326 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.759 4.419 1.555 1.00 0.00 C ATOM 354 CZ PHE A 19 9.422 3.246 0.908 1.00 0.00 C ATOM 0 H PHE A 19 9.469 6.711 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 19 12.204 7.636 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.019 5.434 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.539 6.672 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.281 3.617 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.899 6.220 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.712 2.042 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.333 4.645 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.730 2.555 1.366 1.00 0.00 H new ATOM 364 N GLN A 20 12.514 5.665 -3.960 1.00 0.00 N ATOM 365 CA GLN A 20 12.506 4.843 -5.165 1.00 0.00 C ATOM 366 C GLN A 20 12.959 3.420 -4.855 1.00 0.00 C ATOM 367 O GLN A 20 14.062 3.204 -4.354 1.00 0.00 O ATOM 368 CB GLN A 20 13.414 5.458 -6.233 1.00 0.00 C ATOM 369 CG GLN A 20 12.962 5.167 -7.655 1.00 0.00 C ATOM 370 CD GLN A 20 13.798 5.891 -8.692 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.873 6.408 -8.388 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.307 5.931 -9.925 1.00 0.00 N ATOM 0 H GLN A 20 13.435 6.008 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 20 11.484 4.806 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.454 6.537 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.428 5.080 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.014 4.093 -7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.918 5.459 -7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.412 5.489 -10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.825 6.404 -10.665 1.00 0.00 H new ATOM 381 N GLY A 21 12.100 2.451 -5.156 1.00 0.00 N ATOM 382 CA GLY A 21 12.429 1.061 -4.901 1.00 0.00 C ATOM 383 C GLY A 21 12.135 0.168 -6.090 1.00 0.00 C ATOM 384 O GLY A 21 11.412 0.561 -7.005 1.00 0.00 O ATOM 0 H GLY A 21 11.181 2.604 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.485 0.982 -4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.864 0.709 -4.038 1.00 0.00 H new ATOM 388 N GLU A 22 12.698 -1.036 -6.078 1.00 0.00 N ATOM 389 CA GLU A 22 12.493 -1.985 -7.166 1.00 0.00 C ATOM 390 C GLU A 22 11.624 -3.154 -6.712 1.00 0.00 C ATOM 391 O GLU A 22 11.794 -3.680 -5.612 1.00 0.00 O ATOM 392 CB GLU A 22 13.838 -2.505 -7.679 1.00 0.00 C ATOM 393 CG GLU A 22 13.709 -3.646 -8.674 1.00 0.00 C ATOM 394 CD GLU A 22 14.935 -4.538 -8.699 1.00 0.00 C ATOM 395 OE1 GLU A 22 16.002 -4.069 -9.146 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.827 -5.707 -8.272 1.00 0.00 O ATOM 0 H GLU A 22 13.299 -1.377 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 22 11.979 -1.465 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.380 -1.684 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.436 -2.839 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.833 -4.245 -8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.541 -3.237 -9.670 1.00 0.00 H new ATOM 403 N VAL A 23 10.688 -3.555 -7.567 1.00 0.00 N ATOM 404 CA VAL A 23 9.791 -4.661 -7.255 1.00 0.00 C ATOM 405 C VAL A 23 10.563 -5.966 -7.095 1.00 0.00 C ATOM 406 O VAL A 23 11.414 -6.300 -7.918 1.00 0.00 O ATOM 407 CB VAL A 23 8.721 -4.841 -8.348 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.965 -6.146 -8.146 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.765 -3.658 -8.358 1.00 0.00 C ATOM 0 H VAL A 23 10.532 -3.130 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 23 9.300 -4.415 -6.313 1.00 0.00 H new ATOM 0 HB VAL A 23 9.220 -4.884 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.213 -6.256 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.663 -6.982 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.477 -6.136 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.016 -3.802 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.271 -3.581 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.322 -2.742 -8.556 1.00 0.00 H new ATOM 419 N ALA A 24 10.257 -6.701 -6.030 1.00 0.00 N ATOM 420 CA ALA A 24 10.921 -7.971 -5.763 1.00 0.00 C ATOM 421 C ALA A 24 9.921 -9.123 -5.761 1.00 0.00 C ATOM 422 O ALA A 24 10.295 -10.281 -5.934 1.00 0.00 O ATOM 423 CB ALA A 24 11.661 -7.911 -4.436 1.00 0.00 C ATOM 0 H ALA A 24 9.554 -6.439 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 24 11.642 -8.151 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.152 -8.866 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.409 -7.119 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.953 -7.704 -3.634 1.00 0.00 H new ATOM 429 N MET A 25 8.648 -8.794 -5.565 1.00 0.00 N ATOM 430 CA MET A 25 7.594 -9.803 -5.542 1.00 0.00 C ATOM 431 C MET A 25 6.285 -9.234 -6.080 1.00 0.00 C ATOM 432 O MET A 25 5.930 -8.089 -5.794 1.00 0.00 O ATOM 433 CB MET A 25 7.390 -10.325 -4.119 1.00 0.00 C ATOM 434 CG MET A 25 6.467 -11.530 -4.041 1.00 0.00 C ATOM 435 SD MET A 25 6.665 -12.457 -2.506 1.00 0.00 S ATOM 436 CE MET A 25 4.961 -12.877 -2.144 1.00 0.00 C ATOM 0 H MET A 25 8.321 -7.839 -5.420 1.00 0.00 H new ATOM 0 HA MET A 25 7.901 -10.629 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.359 -10.591 -3.696 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.982 -9.524 -3.502 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.433 -11.197 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.663 -12.189 -4.887 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.910 -13.898 -1.765 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.569 -12.191 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.366 -12.798 -3.054 1.00 0.00 H new ATOM 446 N VAL A 26 5.572 -10.038 -6.861 1.00 0.00 N ATOM 447 CA VAL A 26 4.302 -9.615 -7.439 1.00 0.00 C ATOM 448 C VAL A 26 3.168 -10.539 -7.009 1.00 0.00 C ATOM 449 O VAL A 26 3.228 -11.751 -7.216 1.00 0.00 O ATOM 450 CB VAL A 26 4.368 -9.582 -8.977 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.995 -9.294 -9.565 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.384 -8.549 -9.444 1.00 0.00 C ATOM 0 H VAL A 26 5.852 -10.987 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 26 4.106 -8.608 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 26 4.690 -10.562 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.062 -9.275 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.297 -10.073 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.641 -8.328 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.418 -8.539 -10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.094 -7.563 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.369 -8.804 -9.053 1.00 0.00 H new ATOM 462 N THR A 27 2.132 -9.958 -6.411 1.00 0.00 N ATOM 463 CA THR A 27 0.983 -10.729 -5.952 1.00 0.00 C ATOM 464 C THR A 27 -0.309 -10.212 -6.574 1.00 0.00 C ATOM 465 O THR A 27 -0.375 -9.072 -7.034 1.00 0.00 O ATOM 466 CB THR A 27 0.856 -10.686 -4.418 1.00 0.00 C ATOM 467 OG1 THR A 27 0.726 -9.331 -3.974 1.00 0.00 O ATOM 468 CG2 THR A 27 2.067 -11.327 -3.756 1.00 0.00 C ATOM 0 H THR A 27 2.065 -8.956 -6.233 1.00 0.00 H new ATOM 0 HA THR A 27 1.146 -11.760 -6.266 1.00 0.00 H new ATOM 0 HB THR A 27 -0.034 -11.248 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.148 -9.300 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.954 -11.285 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.147 -12.367 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.969 -10.789 -4.048 1.00 0.00 H new ATOM 476 N ASP A 28 -1.334 -11.056 -6.581 1.00 0.00 N ATOM 477 CA ASP A 28 -2.627 -10.683 -7.145 1.00 0.00 C ATOM 478 C ASP A 28 -3.347 -9.689 -6.240 1.00 0.00 C ATOM 479 O ASP A 28 -4.465 -9.263 -6.533 1.00 0.00 O ATOM 480 CB ASP A 28 -3.495 -11.925 -7.351 1.00 0.00 C ATOM 481 CG ASP A 28 -3.003 -12.792 -8.493 1.00 0.00 C ATOM 482 OD1 ASP A 28 -2.583 -12.231 -9.525 1.00 0.00 O ATOM 483 OD2 ASP A 28 -3.039 -14.034 -8.355 1.00 0.00 O ATOM 0 H ASP A 28 -1.296 -12.003 -6.203 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.452 -10.208 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.508 -12.512 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.522 -11.618 -7.548 1.00 0.00 H new ATOM 488 N TYR A 29 -2.701 -9.323 -5.138 1.00 0.00 N ATOM 489 CA TYR A 29 -3.281 -8.382 -4.188 1.00 0.00 C ATOM 490 C TYR A 29 -2.308 -7.247 -3.882 1.00 0.00 C ATOM 491 O TYR A 29 -2.518 -6.468 -2.953 1.00 0.00 O ATOM 492 CB TYR A 29 -3.664 -9.102 -2.894 1.00 0.00 C ATOM 493 CG TYR A 29 -2.608 -10.066 -2.401 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.460 -9.605 -1.771 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.761 -11.437 -2.566 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.492 -10.481 -1.320 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.800 -12.321 -2.117 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.667 -11.840 -1.495 1.00 0.00 C ATOM 499 OH TYR A 29 0.294 -12.716 -1.046 1.00 0.00 O ATOM 0 H TYR A 29 -1.775 -9.664 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.178 -7.957 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.857 -8.360 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.595 -9.646 -3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.321 -8.543 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.646 -11.818 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.396 -10.106 -0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.935 -13.384 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 29 0.018 -13.635 -1.246 1.00 0.00 H new ATOM 509 N GLY A 30 -1.243 -7.160 -4.674 1.00 0.00 N ATOM 510 CA GLY A 30 -0.253 -6.118 -4.474 1.00 0.00 C ATOM 511 C GLY A 30 1.126 -6.530 -4.947 1.00 0.00 C ATOM 512 O GLY A 30 1.277 -7.535 -5.639 1.00 0.00 O ATOM 0 H GLY A 30 -1.049 -7.793 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.563 -5.219 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.209 -5.861 -3.416 1.00 0.00 H new ATOM 516 N ALA A 31 2.135 -5.750 -4.572 1.00 0.00 N ATOM 517 CA ALA A 31 3.509 -6.041 -4.962 1.00 0.00 C ATOM 518 C ALA A 31 4.496 -5.529 -3.917 1.00 0.00 C ATOM 519 O ALA A 31 4.236 -4.537 -3.236 1.00 0.00 O ATOM 520 CB ALA A 31 3.813 -5.428 -6.321 1.00 0.00 C ATOM 0 H ALA A 31 2.027 -4.913 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 31 3.620 -7.123 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.842 -5.653 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.136 -5.844 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.679 -4.347 -6.271 1.00 0.00 H new ATOM 526 N PHE A 32 5.629 -6.213 -3.795 1.00 0.00 N ATOM 527 CA PHE A 32 6.654 -5.829 -2.832 1.00 0.00 C ATOM 528 C PHE A 32 7.694 -4.918 -3.478 1.00 0.00 C ATOM 529 O PHE A 32 8.135 -5.163 -4.601 1.00 0.00 O ATOM 530 CB PHE A 32 7.335 -7.072 -2.257 1.00 0.00 C ATOM 531 CG PHE A 32 6.400 -7.971 -1.498 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.299 -8.532 -2.122 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.624 -8.254 -0.160 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.437 -9.359 -1.428 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.766 -9.082 0.540 1.00 0.00 C ATOM 536 CZ PHE A 32 4.671 -9.634 -0.095 1.00 0.00 C ATOM 0 H PHE A 32 5.860 -7.036 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 32 6.170 -5.282 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.789 -7.637 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.144 -6.760 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.112 -8.321 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.478 -7.823 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.582 -9.790 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.952 -9.297 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.999 -10.280 0.450 1.00 0.00 H new ATOM 546 N ILE A 33 8.081 -3.869 -2.761 1.00 0.00 N ATOM 547 CA ILE A 33 9.068 -2.923 -3.263 1.00 0.00 C ATOM 548 C ILE A 33 10.271 -2.834 -2.329 1.00 0.00 C ATOM 549 O ILE A 33 10.119 -2.646 -1.122 1.00 0.00 O ATOM 550 CB ILE A 33 8.463 -1.517 -3.439 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.138 -1.599 -4.200 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.442 -0.606 -4.165 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.279 -2.154 -5.599 1.00 0.00 C ATOM 0 H ILE A 33 7.725 -3.653 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 33 9.393 -3.294 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 33 8.268 -1.096 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.444 -2.224 -3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.698 -0.603 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.000 0.384 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.362 -0.526 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.666 -1.022 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.301 -2.183 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.948 -1.517 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.690 -3.162 -5.551 1.00 0.00 H new ATOM 565 N LYS A 34 11.464 -2.969 -2.896 1.00 0.00 N ATOM 566 CA LYS A 34 12.694 -2.901 -2.115 1.00 0.00 C ATOM 567 C LYS A 34 13.110 -1.452 -1.881 1.00 0.00 C ATOM 568 O LYS A 34 13.180 -0.657 -2.819 1.00 0.00 O ATOM 569 CB LYS A 34 13.817 -3.657 -2.828 1.00 0.00 C ATOM 570 CG LYS A 34 13.572 -5.152 -2.934 1.00 0.00 C ATOM 571 CD LYS A 34 14.846 -5.903 -3.286 1.00 0.00 C ATOM 572 CE LYS A 34 14.659 -7.407 -3.157 1.00 0.00 C ATOM 573 NZ LYS A 34 15.941 -8.101 -2.854 1.00 0.00 N ATOM 0 H LYS A 34 11.606 -3.126 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 34 12.508 -3.368 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.941 -3.246 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.753 -3.488 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.178 -5.525 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.814 -5.344 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.144 -5.658 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.654 -5.578 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.937 -7.617 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.242 -7.802 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.771 -9.124 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.622 -7.922 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.326 -7.743 -1.957 1.00 0.00 H new ATOM 587 N ILE A 35 13.389 -1.117 -0.626 1.00 0.00 N ATOM 588 CA ILE A 35 13.801 0.236 -0.270 1.00 0.00 C ATOM 589 C ILE A 35 15.311 0.402 -0.403 1.00 0.00 C ATOM 590 O ILE A 35 16.094 -0.468 -0.022 1.00 0.00 O ATOM 591 CB ILE A 35 13.382 0.593 1.168 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.862 0.504 1.315 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.875 1.984 1.534 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.401 0.363 2.749 1.00 0.00 C ATOM 0 H ILE A 35 13.337 -1.763 0.161 1.00 0.00 H new ATOM 0 HA ILE A 35 13.300 0.911 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 35 13.837 -0.123 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.410 1.397 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.499 -0.347 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.571 2.221 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.962 2.015 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.446 2.714 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.313 0.306 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.824 -0.545 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.734 1.227 3.325 1.00 0.00 H new ATOM 606 N PRO A 36 15.734 1.549 -0.957 1.00 0.00 N ATOM 607 CA PRO A 36 17.153 1.859 -1.151 1.00 0.00 C ATOM 608 C PRO A 36 17.876 2.114 0.166 1.00 0.00 C ATOM 609 O PRO A 36 17.609 3.101 0.851 1.00 0.00 O ATOM 610 CB PRO A 36 17.125 3.131 -2.002 1.00 0.00 C ATOM 611 CG PRO A 36 15.812 3.764 -1.694 1.00 0.00 C ATOM 612 CD PRO A 36 14.857 2.631 -1.436 1.00 0.00 C ATOM 0 HA PRO A 36 17.691 1.032 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.953 3.794 -1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.214 2.899 -3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.888 4.416 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.471 4.380 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.107 2.899 -0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.321 2.343 -2.340 1.00 0.00 H new ATOM 620 N GLY A 37 18.794 1.218 0.516 1.00 0.00 N ATOM 621 CA GLY A 37 19.542 1.366 1.752 1.00 0.00 C ATOM 622 C GLY A 37 18.786 0.836 2.954 1.00 0.00 C ATOM 623 O GLY A 37 18.753 1.475 4.006 1.00 0.00 O ATOM 0 H GLY A 37 19.033 0.393 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.492 0.839 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.775 2.419 1.908 1.00 0.00 H new ATOM 627 N CYS A 38 18.175 -0.333 2.798 1.00 0.00 N ATOM 628 CA CYS A 38 17.414 -0.948 3.880 1.00 0.00 C ATOM 629 C CYS A 38 17.432 -2.469 3.762 1.00 0.00 C ATOM 630 O CYS A 38 18.004 -3.021 2.822 1.00 0.00 O ATOM 631 CB CYS A 38 15.972 -0.440 3.867 1.00 0.00 C ATOM 632 SG CYS A 38 15.771 1.231 4.528 1.00 0.00 S ATOM 0 H CYS A 38 18.192 -0.874 1.933 1.00 0.00 H new ATOM 0 HA CYS A 38 17.882 -0.671 4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.600 -0.461 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.352 -1.125 4.445 1.00 0.00 H new ATOM 0 HG CYS A 38 16.919 1.841 4.521 1.00 0.00 H new ATOM 638 N ARG A 39 16.804 -3.139 4.723 1.00 0.00 N ATOM 639 CA ARG A 39 16.751 -4.596 4.728 1.00 0.00 C ATOM 640 C ARG A 39 15.312 -5.088 4.594 1.00 0.00 C ATOM 641 O ARG A 39 15.050 -6.107 3.955 1.00 0.00 O ATOM 642 CB ARG A 39 17.371 -5.145 6.014 1.00 0.00 C ATOM 643 CG ARG A 39 18.890 -5.202 5.981 1.00 0.00 C ATOM 644 CD ARG A 39 19.386 -6.488 5.340 1.00 0.00 C ATOM 645 NE ARG A 39 20.733 -6.344 4.794 1.00 0.00 N ATOM 646 CZ ARG A 39 21.421 -7.346 4.260 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.891 -8.560 4.199 1.00 0.00 N ATOM 648 NH2 ARG A 39 22.642 -7.136 3.784 1.00 0.00 N ATOM 0 H ARG A 39 16.325 -2.696 5.507 1.00 0.00 H new ATOM 0 HA ARG A 39 17.322 -4.959 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.057 -4.524 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.982 -6.147 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.275 -4.346 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.280 -5.126 6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.379 -7.288 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.702 -6.784 4.544 1.00 0.00 H new ATOM 0 HE ARG A 39 21.169 -5.423 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.953 -8.726 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.422 -9.328 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 39 23.053 -6.204 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.169 -7.907 3.374 1.00 0.00 H new ATOM 662 N LYS A 40 14.384 -4.357 5.200 1.00 0.00 N ATOM 663 CA LYS A 40 12.972 -4.716 5.149 1.00 0.00 C ATOM 664 C LYS A 40 12.298 -4.102 3.926 1.00 0.00 C ATOM 665 O LYS A 40 12.629 -2.990 3.518 1.00 0.00 O ATOM 666 CB LYS A 40 12.260 -4.255 6.423 1.00 0.00 C ATOM 667 CG LYS A 40 10.899 -4.897 6.626 1.00 0.00 C ATOM 668 CD LYS A 40 11.008 -6.209 7.383 1.00 0.00 C ATOM 669 CE LYS A 40 9.699 -6.567 8.070 1.00 0.00 C ATOM 670 NZ LYS A 40 8.770 -7.285 7.153 1.00 0.00 N ATOM 0 H LYS A 40 14.584 -3.511 5.733 1.00 0.00 H new ATOM 0 HA LYS A 40 12.902 -5.801 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.890 -4.480 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.140 -3.172 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.251 -4.213 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.431 -5.073 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.288 -7.006 6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.802 -6.137 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.904 -7.190 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.220 -5.658 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.795 -7.186 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.841 -6.878 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.025 -8.293 7.120 1.00 0.00 H new ATOM 684 N GLN A 41 11.351 -4.834 3.349 1.00 0.00 N ATOM 685 CA GLN A 41 10.631 -4.360 2.172 1.00 0.00 C ATOM 686 C GLN A 41 9.194 -3.992 2.527 1.00 0.00 C ATOM 687 O GLN A 41 8.670 -4.415 3.556 1.00 0.00 O ATOM 688 CB GLN A 41 10.642 -5.426 1.077 1.00 0.00 C ATOM 689 CG GLN A 41 12.020 -5.680 0.488 1.00 0.00 C ATOM 690 CD GLN A 41 12.786 -6.753 1.238 1.00 0.00 C ATOM 691 OE1 GLN A 41 13.052 -6.622 2.433 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.145 -7.822 0.537 1.00 0.00 N ATOM 0 H GLN A 41 11.064 -5.756 3.676 1.00 0.00 H new ATOM 0 HA GLN A 41 11.136 -3.467 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.253 -6.359 1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.965 -5.122 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.916 -5.976 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.593 -4.753 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.903 -7.888 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.663 -8.577 0.987 1.00 0.00 H new ATOM 701 N GLY A 42 8.561 -3.201 1.665 1.00 0.00 N ATOM 702 CA GLY A 42 7.190 -2.789 1.905 1.00 0.00 C ATOM 703 C GLY A 42 6.233 -3.320 0.856 1.00 0.00 C ATOM 704 O GLY A 42 6.571 -3.388 -0.326 1.00 0.00 O ATOM 0 H GLY A 42 8.973 -2.838 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.876 -3.138 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.139 -1.700 1.921 1.00 0.00 H new ATOM 708 N LEU A 43 5.035 -3.699 1.289 1.00 0.00 N ATOM 709 CA LEU A 43 4.027 -4.229 0.378 1.00 0.00 C ATOM 710 C LEU A 43 3.100 -3.122 -0.111 1.00 0.00 C ATOM 711 O LEU A 43 2.676 -2.264 0.664 1.00 0.00 O ATOM 712 CB LEU A 43 3.212 -5.324 1.070 1.00 0.00 C ATOM 713 CG LEU A 43 1.933 -5.762 0.355 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.265 -6.628 -0.850 1.00 0.00 C ATOM 715 CD2 LEU A 43 1.015 -6.508 1.312 1.00 0.00 C ATOM 0 H LEU A 43 4.739 -3.649 2.264 1.00 0.00 H new ATOM 0 HA LEU A 43 4.540 -4.656 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.850 -6.198 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.945 -4.975 2.068 1.00 0.00 H new ATOM 0 HG LEU A 43 1.413 -4.871 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.343 -6.930 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.883 -6.061 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.808 -7.515 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.110 -6.812 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.527 -7.392 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.749 -5.856 2.144 1.00 0.00 H new ATOM 727 N VAL A 44 2.785 -3.146 -1.403 1.00 0.00 N ATOM 728 CA VAL A 44 1.905 -2.148 -1.996 1.00 0.00 C ATOM 729 C VAL A 44 0.559 -2.755 -2.375 1.00 0.00 C ATOM 730 O VAL A 44 0.453 -3.491 -3.356 1.00 0.00 O ATOM 731 CB VAL A 44 2.540 -1.512 -3.247 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.557 -0.567 -3.923 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.826 -0.786 -2.882 1.00 0.00 C ATOM 0 H VAL A 44 3.128 -3.848 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 44 1.751 -1.375 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 44 2.787 -2.306 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.023 -0.127 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.667 -1.121 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.276 0.224 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.261 -0.343 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.608 -0.001 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.532 -1.493 -2.448 1.00 0.00 H new ATOM 743 N HIS A 45 -0.467 -2.442 -1.590 1.00 0.00 N ATOM 744 CA HIS A 45 -1.809 -2.957 -1.844 1.00 0.00 C ATOM 745 C HIS A 45 -2.228 -2.691 -3.287 1.00 0.00 C ATOM 746 O HIS A 45 -1.860 -1.673 -3.872 1.00 0.00 O ATOM 747 CB HIS A 45 -2.813 -2.321 -0.883 1.00 0.00 C ATOM 748 CG HIS A 45 -4.093 -3.087 -0.759 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.239 -2.555 -0.210 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.404 -4.355 -1.119 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.200 -3.461 -0.236 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.719 -4.563 -0.783 1.00 0.00 N ATOM 0 H HIS A 45 -0.396 -1.835 -0.773 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.795 -4.035 -1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.355 -2.234 0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.036 -1.309 -1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.741 -5.070 -1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.208 -3.324 0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.240 -5.427 -0.932 1.00 0.00 H new ATOM 760 N ARG A 46 -2.999 -3.613 -3.853 1.00 0.00 N ATOM 761 CA ARG A 46 -3.468 -3.479 -5.228 1.00 0.00 C ATOM 762 C ARG A 46 -4.313 -2.220 -5.393 1.00 0.00 C ATOM 763 O ARG A 46 -4.320 -1.599 -6.457 1.00 0.00 O ATOM 764 CB ARG A 46 -4.281 -4.710 -5.634 1.00 0.00 C ATOM 765 CG ARG A 46 -5.646 -4.784 -4.970 1.00 0.00 C ATOM 766 CD ARG A 46 -6.706 -4.071 -5.795 1.00 0.00 C ATOM 767 NE ARG A 46 -8.048 -4.274 -5.255 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.690 -5.435 -5.302 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.117 -6.493 -5.859 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.909 -5.541 -4.788 1.00 0.00 N ATOM 0 H ARG A 46 -3.313 -4.461 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.596 -3.398 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.412 -4.708 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.715 -5.607 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.930 -5.828 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.594 -4.336 -3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.485 -3.004 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.670 -4.433 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.517 -3.481 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.179 -6.417 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.614 -7.383 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.353 -4.730 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.402 -6.433 -4.824 1.00 0.00 H new ATOM 784 N THR A 47 -5.026 -1.848 -4.334 1.00 0.00 N ATOM 785 CA THR A 47 -5.876 -0.665 -4.363 1.00 0.00 C ATOM 786 C THR A 47 -5.043 0.608 -4.467 1.00 0.00 C ATOM 787 O THR A 47 -5.531 1.646 -4.917 1.00 0.00 O ATOM 788 CB THR A 47 -6.766 -0.582 -3.109 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.716 0.481 -3.250 1.00 0.00 O ATOM 790 CG2 THR A 47 -5.923 -0.353 -1.862 1.00 0.00 C ATOM 0 H THR A 47 -5.031 -2.349 -3.446 1.00 0.00 H new ATOM 0 HA THR A 47 -6.511 -0.753 -5.245 1.00 0.00 H new ATOM 0 HB THR A 47 -7.295 -1.529 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.279 0.525 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.573 -0.298 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.221 -1.178 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.370 0.581 -1.963 1.00 0.00 H new ATOM 798 N HIS A 48 -3.785 0.522 -4.049 1.00 0.00 N ATOM 799 CA HIS A 48 -2.884 1.668 -4.097 1.00 0.00 C ATOM 800 C HIS A 48 -2.049 1.650 -5.374 1.00 0.00 C ATOM 801 O HIS A 48 -1.569 2.688 -5.828 1.00 0.00 O ATOM 802 CB HIS A 48 -1.965 1.672 -2.874 1.00 0.00 C ATOM 803 CG HIS A 48 -2.619 2.206 -1.636 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.862 3.547 -1.432 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.083 1.569 -0.536 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.445 3.713 -0.258 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.591 2.527 0.306 1.00 0.00 N ATOM 0 H HIS A 48 -3.366 -0.329 -3.673 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.489 2.575 -4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.622 0.655 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.081 2.271 -3.095 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.058 0.505 -0.354 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.750 4.657 0.168 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.012 2.352 1.218 1.00 0.00 H new ATOM 815 N MET A 49 -1.880 0.463 -5.948 1.00 0.00 N ATOM 816 CA MET A 49 -1.103 0.311 -7.173 1.00 0.00 C ATOM 817 C MET A 49 -1.560 1.308 -8.234 1.00 0.00 C ATOM 818 O MET A 49 -0.751 2.053 -8.786 1.00 0.00 O ATOM 819 CB MET A 49 -1.232 -1.115 -7.710 1.00 0.00 C ATOM 820 CG MET A 49 -0.348 -2.120 -6.987 1.00 0.00 C ATOM 821 SD MET A 49 -0.339 -3.737 -7.783 1.00 0.00 S ATOM 822 CE MET A 49 1.266 -3.716 -8.577 1.00 0.00 C ATOM 0 H MET A 49 -2.270 -0.407 -5.585 1.00 0.00 H new ATOM 0 HA MET A 49 -0.058 0.511 -6.937 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.271 -1.433 -7.628 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.980 -1.119 -8.771 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.671 -1.736 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.693 -2.228 -5.959 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.487 -4.706 -8.976 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.260 -2.990 -9.390 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.029 -3.440 -7.849 1.00 0.00 H new ATOM 832 N SER A 50 -2.859 1.317 -8.511 1.00 0.00 N ATOM 833 CA SER A 50 -3.422 2.220 -9.508 1.00 0.00 C ATOM 834 C SER A 50 -4.661 2.924 -8.965 1.00 0.00 C ATOM 835 O SER A 50 -5.430 2.347 -8.196 1.00 0.00 O ATOM 836 CB SER A 50 -3.775 1.451 -10.783 1.00 0.00 C ATOM 837 OG SER A 50 -2.682 1.429 -11.684 1.00 0.00 O ATOM 0 H SER A 50 -3.542 0.709 -8.059 1.00 0.00 H new ATOM 0 HA SER A 50 -2.671 2.974 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.061 0.430 -10.528 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.637 1.913 -11.263 1.00 0.00 H new ATOM 0 HG SER A 50 -2.932 0.930 -12.490 1.00 0.00 H new ATOM 843 N SER A 51 -4.849 4.176 -9.371 1.00 0.00 N ATOM 844 CA SER A 51 -5.993 4.962 -8.924 1.00 0.00 C ATOM 845 C SER A 51 -7.295 4.390 -9.475 1.00 0.00 C ATOM 846 O SER A 51 -8.198 4.030 -8.718 1.00 0.00 O ATOM 847 CB SER A 51 -5.838 6.420 -9.359 1.00 0.00 C ATOM 848 OG SER A 51 -5.145 7.175 -8.381 1.00 0.00 O ATOM 0 H SER A 51 -4.223 4.668 -10.009 1.00 0.00 H new ATOM 0 HA SER A 51 -6.030 4.917 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.300 6.465 -10.306 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.821 6.858 -9.531 1.00 0.00 H new ATOM 0 HG SER A 51 -5.058 8.103 -8.685 1.00 0.00 H new ATOM 854 N CYS A 52 -7.384 4.308 -10.797 1.00 0.00 N ATOM 855 CA CYS A 52 -8.576 3.779 -11.453 1.00 0.00 C ATOM 856 C CYS A 52 -8.845 2.342 -11.015 1.00 0.00 C ATOM 857 O CYS A 52 -8.144 1.802 -10.159 1.00 0.00 O ATOM 858 CB CYS A 52 -8.417 3.841 -12.972 1.00 0.00 C ATOM 859 SG CYS A 52 -8.556 5.507 -13.661 1.00 0.00 S ATOM 0 H CYS A 52 -6.646 4.601 -11.437 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.426 4.394 -11.159 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -7.445 3.428 -13.242 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.173 3.205 -13.432 1.00 0.00 H new ATOM 0 HG CYS A 52 -8.405 5.457 -14.951 1.00 0.00 H new ATOM 865 N ARG A 53 -9.865 1.731 -11.607 1.00 0.00 N ATOM 866 CA ARG A 53 -10.229 0.358 -11.277 1.00 0.00 C ATOM 867 C ARG A 53 -9.075 -0.597 -11.572 1.00 0.00 C ATOM 868 O ARG A 53 -8.309 -0.388 -12.513 1.00 0.00 O ATOM 869 CB ARG A 53 -11.469 -0.067 -12.064 1.00 0.00 C ATOM 870 CG ARG A 53 -11.193 -0.351 -13.531 1.00 0.00 C ATOM 871 CD ARG A 53 -12.428 -0.115 -14.387 1.00 0.00 C ATOM 872 NE ARG A 53 -13.522 -1.014 -14.029 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.571 -2.292 -14.389 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.593 -2.818 -15.113 1.00 0.00 N ATOM 875 NH2 ARG A 53 -14.600 -3.046 -14.024 1.00 0.00 N ATOM 0 H ARG A 53 -10.454 2.165 -12.318 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.451 0.315 -10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.893 -0.960 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.222 0.718 -11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.380 0.287 -13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.861 -1.383 -13.647 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.756 0.918 -14.273 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.173 -0.255 -15.438 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.290 -0.640 -13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.800 -2.241 -15.395 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.633 -3.799 -15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.354 -2.645 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.637 -4.027 -14.301 1.00 0.00 H new ATOM 889 N VAL A 54 -8.957 -1.643 -10.760 1.00 0.00 N ATOM 890 CA VAL A 54 -7.898 -2.629 -10.934 1.00 0.00 C ATOM 891 C VAL A 54 -8.473 -4.034 -11.075 1.00 0.00 C ATOM 892 O VAL A 54 -9.390 -4.416 -10.348 1.00 0.00 O ATOM 893 CB VAL A 54 -6.910 -2.606 -9.753 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.770 -3.586 -9.990 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.378 -1.200 -9.530 1.00 0.00 C ATOM 0 H VAL A 54 -9.582 -1.829 -9.976 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.366 -2.364 -11.848 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.441 -2.915 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.082 -3.555 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.172 -4.594 -10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.238 -3.312 -10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.681 -1.203 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.863 -0.859 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.207 -0.528 -9.310 1.00 0.00 H new ATOM 905 N ASP A 55 -7.928 -4.798 -12.016 1.00 0.00 N ATOM 906 CA ASP A 55 -8.386 -6.162 -12.252 1.00 0.00 C ATOM 907 C ASP A 55 -7.269 -7.165 -11.981 1.00 0.00 C ATOM 908 O ASP A 55 -7.499 -8.226 -11.401 1.00 0.00 O ATOM 909 CB ASP A 55 -8.886 -6.314 -13.689 1.00 0.00 C ATOM 910 CG ASP A 55 -9.705 -5.122 -14.146 1.00 0.00 C ATOM 911 OD1 ASP A 55 -9.100 -4.100 -14.531 1.00 0.00 O ATOM 912 OD2 ASP A 55 -10.951 -5.212 -14.117 1.00 0.00 O ATOM 0 H ASP A 55 -7.169 -4.496 -12.627 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.208 -6.366 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.033 -6.442 -14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.490 -7.218 -13.767 1.00 0.00 H new ATOM 917 N LYS A 56 -6.057 -6.822 -12.405 1.00 0.00 N ATOM 918 CA LYS A 56 -4.903 -7.691 -12.208 1.00 0.00 C ATOM 919 C LYS A 56 -3.638 -6.871 -11.973 1.00 0.00 C ATOM 920 O LYS A 56 -3.069 -6.285 -12.895 1.00 0.00 O ATOM 921 CB LYS A 56 -4.714 -8.604 -13.422 1.00 0.00 C ATOM 922 CG LYS A 56 -5.467 -9.919 -13.317 1.00 0.00 C ATOM 923 CD LYS A 56 -4.626 -10.990 -12.642 1.00 0.00 C ATOM 924 CE LYS A 56 -3.808 -11.777 -13.656 1.00 0.00 C ATOM 925 NZ LYS A 56 -4.662 -12.671 -14.485 1.00 0.00 N ATOM 0 H LYS A 56 -5.849 -5.948 -12.887 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.087 -8.303 -11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.043 -8.077 -14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.651 -8.812 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.387 -9.768 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.755 -10.255 -14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.959 -10.526 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.275 -11.670 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.271 -11.085 -14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.059 -12.372 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.069 -13.396 -14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.372 -13.131 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.142 -12.111 -15.218 1.00 0.00 H new ATOM 939 N PRO A 57 -3.185 -6.827 -10.712 1.00 0.00 N ATOM 940 CA PRO A 57 -1.982 -6.084 -10.328 1.00 0.00 C ATOM 941 C PRO A 57 -0.708 -6.725 -10.866 1.00 0.00 C ATOM 942 O PRO A 57 0.351 -6.098 -10.890 1.00 0.00 O ATOM 943 CB PRO A 57 -2.004 -6.140 -8.798 1.00 0.00 C ATOM 944 CG PRO A 57 -2.784 -7.367 -8.475 1.00 0.00 C ATOM 945 CD PRO A 57 -3.814 -7.501 -9.563 1.00 0.00 C ATOM 0 HA PRO A 57 -1.982 -5.071 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.995 -6.193 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.472 -5.251 -8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.137 -8.243 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.258 -7.282 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.035 -8.546 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.756 -7.028 -9.285 1.00 0.00 H new ATOM 953 N SER A 58 -0.817 -7.977 -11.297 1.00 0.00 N ATOM 954 CA SER A 58 0.327 -8.704 -11.832 1.00 0.00 C ATOM 955 C SER A 58 0.673 -8.216 -13.236 1.00 0.00 C ATOM 956 O SER A 58 1.732 -8.539 -13.774 1.00 0.00 O ATOM 957 CB SER A 58 0.038 -10.206 -11.859 1.00 0.00 C ATOM 958 OG SER A 58 1.229 -10.959 -11.708 1.00 0.00 O ATOM 0 H SER A 58 -1.687 -8.509 -11.286 1.00 0.00 H new ATOM 0 HA SER A 58 1.181 -8.518 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.659 -10.459 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.445 -10.469 -12.800 1.00 0.00 H new ATOM 0 HG SER A 58 1.016 -11.915 -11.727 1.00 0.00 H new ATOM 964 N GLU A 59 -0.230 -7.437 -13.823 1.00 0.00 N ATOM 965 CA GLU A 59 -0.021 -6.905 -15.166 1.00 0.00 C ATOM 966 C GLU A 59 0.394 -5.438 -15.110 1.00 0.00 C ATOM 967 O GLU A 59 0.709 -4.832 -16.135 1.00 0.00 O ATOM 968 CB GLU A 59 -1.294 -7.055 -16.001 1.00 0.00 C ATOM 969 CG GLU A 59 -1.739 -8.497 -16.179 1.00 0.00 C ATOM 970 CD GLU A 59 -0.603 -9.410 -16.598 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.245 -8.971 -17.403 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.562 -10.564 -16.123 1.00 0.00 O ATOM 0 H GLU A 59 -1.112 -7.160 -13.391 1.00 0.00 H new ATOM 0 HA GLU A 59 0.781 -7.474 -15.635 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.098 -6.491 -15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.129 -6.611 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.166 -8.860 -15.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.530 -8.540 -16.928 1.00 0.00 H new ATOM 979 N ILE A 60 0.391 -4.873 -13.908 1.00 0.00 N ATOM 980 CA ILE A 60 0.767 -3.477 -13.719 1.00 0.00 C ATOM 981 C ILE A 60 2.279 -3.329 -13.580 1.00 0.00 C ATOM 982 O ILE A 60 2.876 -2.403 -14.129 1.00 0.00 O ATOM 983 CB ILE A 60 0.088 -2.874 -12.474 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.410 -3.188 -12.483 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.320 -1.372 -12.420 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.164 -2.562 -11.330 1.00 0.00 C ATOM 0 H ILE A 60 0.132 -5.360 -13.050 1.00 0.00 H new ATOM 0 HA ILE A 60 0.430 -2.937 -14.604 1.00 0.00 H new ATOM 0 HB ILE A 60 0.529 -3.322 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.841 -2.839 -13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.547 -4.269 -12.452 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.166 -0.960 -11.535 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.390 -1.171 -12.373 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.098 -0.907 -13.313 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.219 -2.826 -11.399 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.759 -2.931 -10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.058 -1.478 -11.371 1.00 0.00 H new ATOM 998 N VAL A 61 2.893 -4.250 -12.844 1.00 0.00 N ATOM 999 CA VAL A 61 4.336 -4.225 -12.635 1.00 0.00 C ATOM 1000 C VAL A 61 4.925 -5.628 -12.700 1.00 0.00 C ATOM 1001 O VAL A 61 4.194 -6.619 -12.747 1.00 0.00 O ATOM 1002 CB VAL A 61 4.696 -3.590 -11.279 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.041 -2.224 -11.138 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.287 -4.507 -10.137 1.00 0.00 C ATOM 0 H VAL A 61 2.414 -5.023 -12.382 1.00 0.00 H new ATOM 0 HA VAL A 61 4.761 -3.619 -13.435 1.00 0.00 H new ATOM 0 HB VAL A 61 5.777 -3.454 -11.236 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.307 -1.791 -10.174 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.388 -1.570 -11.938 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.958 -2.331 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.549 -4.043 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.211 -4.677 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.808 -5.460 -10.231 1.00 0.00 H new ATOM 1014 N ASP A 62 6.252 -5.709 -12.700 1.00 0.00 N ATOM 1015 CA ASP A 62 6.940 -6.992 -12.757 1.00 0.00 C ATOM 1016 C ASP A 62 8.307 -6.906 -12.086 1.00 0.00 C ATOM 1017 O ASP A 62 8.988 -5.883 -12.170 1.00 0.00 O ATOM 1018 CB ASP A 62 7.098 -7.447 -14.209 1.00 0.00 C ATOM 1019 CG ASP A 62 5.889 -7.107 -15.057 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.827 -5.972 -15.574 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.005 -7.976 -15.204 1.00 0.00 O ATOM 0 H ASP A 62 6.872 -4.900 -12.661 1.00 0.00 H new ATOM 0 HA ASP A 62 6.337 -7.724 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.983 -6.978 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.264 -8.524 -14.233 1.00 0.00 H new ATOM 1026 N VAL A 63 8.705 -7.985 -11.419 1.00 0.00 N ATOM 1027 CA VAL A 63 9.990 -8.031 -10.734 1.00 0.00 C ATOM 1028 C VAL A 63 11.098 -7.450 -11.605 1.00 0.00 C ATOM 1029 O VAL A 63 11.406 -7.980 -12.672 1.00 0.00 O ATOM 1030 CB VAL A 63 10.364 -9.472 -10.339 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.710 -9.499 -9.630 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.279 -10.083 -9.465 1.00 0.00 C ATOM 0 H VAL A 63 8.154 -8.840 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 63 9.889 -7.429 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 63 10.447 -10.070 -11.247 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.958 -10.525 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.479 -9.104 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.659 -8.888 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.560 -11.101 -9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.162 -9.487 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.337 -10.099 -10.013 1.00 0.00 H new ATOM 1042 N GLY A 64 11.696 -6.357 -11.142 1.00 0.00 N ATOM 1043 CA GLY A 64 12.765 -5.722 -11.891 1.00 0.00 C ATOM 1044 C GLY A 64 12.459 -4.274 -12.222 1.00 0.00 C ATOM 1045 O GLY A 64 13.369 -3.483 -12.474 1.00 0.00 O ATOM 0 H GLY A 64 11.459 -5.900 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.689 -5.773 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.935 -6.275 -12.815 1.00 0.00 H new ATOM 1049 N ASP A 65 11.177 -3.929 -12.226 1.00 0.00 N ATOM 1050 CA ASP A 65 10.754 -2.566 -12.531 1.00 0.00 C ATOM 1051 C ASP A 65 10.822 -1.685 -11.288 1.00 0.00 C ATOM 1052 O ASP A 65 10.290 -2.037 -10.234 1.00 0.00 O ATOM 1053 CB ASP A 65 9.332 -2.565 -13.095 1.00 0.00 C ATOM 1054 CG ASP A 65 9.228 -3.321 -14.405 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.169 -3.229 -15.219 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.204 -4.006 -14.615 1.00 0.00 O ATOM 0 H ASP A 65 10.413 -4.573 -12.022 1.00 0.00 H new ATOM 0 HA ASP A 65 11.434 -2.160 -13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.655 -3.011 -12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.005 -1.536 -13.246 1.00 0.00 H new ATOM 1061 N LYS A 66 11.482 -0.539 -11.416 1.00 0.00 N ATOM 1062 CA LYS A 66 11.621 0.394 -10.304 1.00 0.00 C ATOM 1063 C LYS A 66 10.574 1.499 -10.387 1.00 0.00 C ATOM 1064 O LYS A 66 10.348 2.077 -11.452 1.00 0.00 O ATOM 1065 CB LYS A 66 13.024 1.005 -10.297 1.00 0.00 C ATOM 1066 CG LYS A 66 13.172 2.176 -9.341 1.00 0.00 C ATOM 1067 CD LYS A 66 14.619 2.380 -8.928 1.00 0.00 C ATOM 1068 CE LYS A 66 15.396 3.154 -9.982 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.868 3.016 -9.800 1.00 0.00 N ATOM 0 H LYS A 66 11.930 -0.234 -12.280 1.00 0.00 H new ATOM 0 HA LYS A 66 11.467 -0.159 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.746 0.234 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.272 1.336 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.797 3.083 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.561 2.003 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.656 2.917 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.092 1.412 -8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.118 2.797 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.122 4.208 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.361 3.558 -10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.138 3.380 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.134 2.013 -9.871 1.00 0.00 H new ATOM 1083 N VAL A 67 9.937 1.790 -9.258 1.00 0.00 N ATOM 1084 CA VAL A 67 8.914 2.829 -9.203 1.00 0.00 C ATOM 1085 C VAL A 67 9.012 3.627 -7.907 1.00 0.00 C ATOM 1086 O VAL A 67 9.736 3.250 -6.986 1.00 0.00 O ATOM 1087 CB VAL A 67 7.500 2.232 -9.320 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.324 1.534 -10.660 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.231 1.272 -8.170 1.00 0.00 C ATOM 0 H VAL A 67 10.111 1.322 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 67 9.090 3.492 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 67 6.775 3.044 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.318 1.118 -10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.472 2.252 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.055 0.731 -10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.227 0.859 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.960 0.462 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.313 1.806 -7.223 1.00 0.00 H new ATOM 1099 N TRP A 68 8.278 4.733 -7.843 1.00 0.00 N ATOM 1100 CA TRP A 68 8.281 5.585 -6.660 1.00 0.00 C ATOM 1101 C TRP A 68 7.063 5.308 -5.787 1.00 0.00 C ATOM 1102 O TRP A 68 5.938 5.228 -6.280 1.00 0.00 O ATOM 1103 CB TRP A 68 8.307 7.058 -7.068 1.00 0.00 C ATOM 1104 CG TRP A 68 9.584 7.467 -7.737 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.838 7.482 -9.080 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.783 7.917 -7.096 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.121 7.915 -9.311 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.722 8.189 -8.111 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.154 8.118 -5.764 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.005 8.649 -7.832 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.429 8.576 -5.490 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.342 8.838 -6.520 1.00 0.00 C ATOM 0 H TRP A 68 7.674 5.060 -8.597 1.00 0.00 H new ATOM 0 HA TRP A 68 9.177 5.359 -6.082 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.473 7.256 -7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.155 7.675 -6.183 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.133 7.196 -9.847 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.556 8.016 -10.228 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.457 7.919 -4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.711 8.850 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.727 8.735 -4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.331 9.196 -6.273 1.00 0.00 H new ATOM 1123 N VAL A 69 7.293 5.162 -4.486 1.00 0.00 N ATOM 1124 CA VAL A 69 6.213 4.896 -3.543 1.00 0.00 C ATOM 1125 C VAL A 69 6.397 5.691 -2.256 1.00 0.00 C ATOM 1126 O VAL A 69 7.507 6.111 -1.926 1.00 0.00 O ATOM 1127 CB VAL A 69 6.126 3.396 -3.199 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.041 2.561 -4.467 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.317 2.975 -2.351 1.00 0.00 C ATOM 0 H VAL A 69 8.218 5.223 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 69 5.287 5.206 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 69 5.218 3.225 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.980 1.505 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.153 2.846 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.929 2.733 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.240 1.913 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.239 3.159 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.326 3.551 -1.425 1.00 0.00 H new ATOM 1139 N LYS A 70 5.302 5.897 -1.532 1.00 0.00 N ATOM 1140 CA LYS A 70 5.341 6.641 -0.279 1.00 0.00 C ATOM 1141 C LYS A 70 4.709 5.836 0.852 1.00 0.00 C ATOM 1142 O LYS A 70 3.668 5.203 0.671 1.00 0.00 O ATOM 1143 CB LYS A 70 4.616 7.980 -0.434 1.00 0.00 C ATOM 1144 CG LYS A 70 3.143 7.919 -0.069 1.00 0.00 C ATOM 1145 CD LYS A 70 2.527 9.306 -0.002 1.00 0.00 C ATOM 1146 CE LYS A 70 1.054 9.245 0.371 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.859 9.104 1.840 1.00 0.00 N ATOM 0 H LYS A 70 4.376 5.559 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 70 6.385 6.827 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.107 8.724 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.713 8.319 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.609 7.318 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.026 7.421 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.064 9.909 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.639 9.802 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.554 10.149 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.585 8.404 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.010 8.564 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.672 8.603 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.779 10.047 2.272 1.00 0.00 H new ATOM 1161 N LEU A 71 5.343 5.866 2.019 1.00 0.00 N ATOM 1162 CA LEU A 71 4.841 5.140 3.181 1.00 0.00 C ATOM 1163 C LEU A 71 3.515 5.724 3.656 1.00 0.00 C ATOM 1164 O LEU A 71 3.386 6.936 3.831 1.00 0.00 O ATOM 1165 CB LEU A 71 5.866 5.183 4.316 1.00 0.00 C ATOM 1166 CG LEU A 71 5.557 4.313 5.534 1.00 0.00 C ATOM 1167 CD1 LEU A 71 5.800 2.845 5.216 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.394 4.747 6.728 1.00 0.00 C ATOM 0 H LEU A 71 6.205 6.385 2.186 1.00 0.00 H new ATOM 0 HA LEU A 71 4.676 4.103 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.834 4.882 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.966 6.216 4.649 1.00 0.00 H new ATOM 0 HG LEU A 71 4.505 4.440 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.575 2.240 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.156 2.540 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.843 2.702 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.160 4.116 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.452 4.651 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.171 5.786 6.971 1.00 0.00 H new ATOM 1180 N ILE A 72 2.532 4.854 3.866 1.00 0.00 N ATOM 1181 CA ILE A 72 1.217 5.282 4.324 1.00 0.00 C ATOM 1182 C ILE A 72 0.947 4.803 5.746 1.00 0.00 C ATOM 1183 O ILE A 72 0.134 5.384 6.464 1.00 0.00 O ATOM 1184 CB ILE A 72 0.101 4.763 3.398 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.099 3.232 3.376 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.277 5.317 1.993 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.697 2.646 2.231 1.00 0.00 C ATOM 0 H ILE A 72 2.622 3.848 3.726 1.00 0.00 H new ATOM 0 HA ILE A 72 1.216 6.372 4.304 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.859 5.105 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.127 2.876 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.309 2.864 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.520 4.941 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.235 6.406 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.242 5.002 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.655 1.558 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.734 2.972 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.276 2.985 1.284 1.00 0.00 H new ATOM 1199 N GLY A 73 1.638 3.741 6.148 1.00 0.00 N ATOM 1200 CA GLY A 73 1.461 3.202 7.484 1.00 0.00 C ATOM 1201 C GLY A 73 2.467 2.116 7.809 1.00 0.00 C ATOM 1202 O GLY A 73 2.440 1.037 7.216 1.00 0.00 O ATOM 0 H GLY A 73 2.318 3.244 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.553 4.008 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.453 2.799 7.579 1.00 0.00 H new ATOM 1206 N ARG A 74 3.358 2.401 8.753 1.00 0.00 N ATOM 1207 CA ARG A 74 4.380 1.441 9.155 1.00 0.00 C ATOM 1208 C ARG A 74 4.098 0.901 10.554 1.00 0.00 C ATOM 1209 O ARG A 74 3.990 1.664 11.513 1.00 0.00 O ATOM 1210 CB ARG A 74 5.763 2.092 9.116 1.00 0.00 C ATOM 1211 CG ARG A 74 5.880 3.328 9.992 1.00 0.00 C ATOM 1212 CD ARG A 74 7.286 3.906 9.955 1.00 0.00 C ATOM 1213 NE ARG A 74 8.197 3.188 10.842 1.00 0.00 N ATOM 1214 CZ ARG A 74 9.517 3.334 10.813 1.00 0.00 C ATOM 1215 NH1 ARG A 74 10.077 4.167 9.948 1.00 0.00 N ATOM 1216 NH2 ARG A 74 10.280 2.644 11.653 1.00 0.00 N ATOM 0 H ARG A 74 3.393 3.289 9.254 1.00 0.00 H new ATOM 0 HA ARG A 74 4.358 0.608 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.508 1.362 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.999 2.363 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.167 4.081 9.657 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.617 3.074 11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.667 3.866 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.253 4.957 10.242 1.00 0.00 H new ATOM 0 HE ARG A 74 7.798 2.539 11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.494 4.699 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.091 4.277 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.852 2.002 12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.294 2.756 11.631 1.00 0.00 H new ATOM 1230 N GLU A 75 3.980 -0.418 10.660 1.00 0.00 N ATOM 1231 CA GLU A 75 3.709 -1.060 11.942 1.00 0.00 C ATOM 1232 C GLU A 75 4.663 -2.228 12.178 1.00 0.00 C ATOM 1233 O GLU A 75 4.749 -3.147 11.365 1.00 0.00 O ATOM 1234 CB GLU A 75 2.261 -1.551 11.996 1.00 0.00 C ATOM 1235 CG GLU A 75 1.239 -0.428 12.065 1.00 0.00 C ATOM 1236 CD GLU A 75 0.802 0.048 10.694 1.00 0.00 C ATOM 1237 OE1 GLU A 75 0.431 -0.803 9.859 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.831 1.274 10.455 1.00 0.00 O ATOM 0 H GLU A 75 4.068 -1.063 9.875 1.00 0.00 H new ATOM 0 HA GLU A 75 3.864 -0.322 12.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.060 -2.160 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.138 -2.197 12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.367 -0.770 12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.662 0.410 12.619 1.00 0.00 H new ATOM 1245 N MET A 76 5.378 -2.182 13.296 1.00 0.00 N ATOM 1246 CA MET A 76 6.326 -3.236 13.641 1.00 0.00 C ATOM 1247 C MET A 76 5.924 -3.925 14.941 1.00 0.00 C ATOM 1248 O MET A 76 5.809 -3.283 15.986 1.00 0.00 O ATOM 1249 CB MET A 76 7.738 -2.660 13.770 1.00 0.00 C ATOM 1250 CG MET A 76 8.010 -2.018 15.122 1.00 0.00 C ATOM 1251 SD MET A 76 8.608 -3.201 16.344 1.00 0.00 S ATOM 1252 CE MET A 76 10.336 -3.319 15.884 1.00 0.00 C ATOM 0 H MET A 76 5.320 -1.427 13.979 1.00 0.00 H new ATOM 0 HA MET A 76 6.315 -3.976 12.841 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.463 -3.456 13.602 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.892 -1.918 12.987 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.746 -1.223 15.001 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.095 -1.553 15.490 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.720 -4.301 16.161 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.436 -3.181 14.807 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.904 -2.547 16.403 1.00 0.00 H new ATOM 1262 N LYS A 77 5.711 -5.235 14.870 1.00 0.00 N ATOM 1263 CA LYS A 77 5.324 -6.012 16.040 1.00 0.00 C ATOM 1264 C LYS A 77 6.383 -7.056 16.377 1.00 0.00 C ATOM 1265 O LYS A 77 7.063 -7.571 15.491 1.00 0.00 O ATOM 1266 CB LYS A 77 3.976 -6.697 15.800 1.00 0.00 C ATOM 1267 CG LYS A 77 3.177 -6.929 17.070 1.00 0.00 C ATOM 1268 CD LYS A 77 1.685 -7.001 16.785 1.00 0.00 C ATOM 1269 CE LYS A 77 1.077 -5.614 16.648 1.00 0.00 C ATOM 1270 NZ LYS A 77 0.687 -5.046 17.968 1.00 0.00 N ATOM 0 H LYS A 77 5.800 -5.781 14.013 1.00 0.00 H new ATOM 0 HA LYS A 77 5.233 -5.328 16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.385 -6.088 15.115 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.147 -7.655 15.308 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.503 -7.856 17.542 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.375 -6.124 17.778 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.515 -7.566 15.868 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.185 -7.541 17.589 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.793 -4.950 16.164 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.201 -5.664 16.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.277 -4.100 17.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.016 -5.666 18.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.527 -4.974 18.577 1.00 0.00 H new ATOM 1284 N ASN A 78 6.518 -7.361 17.664 1.00 0.00 N ATOM 1285 CA ASN A 78 7.496 -8.345 18.117 1.00 0.00 C ATOM 1286 C ASN A 78 7.235 -9.705 17.477 1.00 0.00 C ATOM 1287 O ASN A 78 8.083 -10.598 17.525 1.00 0.00 O ATOM 1288 CB ASN A 78 7.457 -8.470 19.641 1.00 0.00 C ATOM 1289 CG ASN A 78 6.403 -9.452 20.114 1.00 0.00 C ATOM 1290 OD1 ASN A 78 6.721 -10.554 20.560 1.00 0.00 O ATOM 1291 ND2 ASN A 78 5.139 -9.056 20.017 1.00 0.00 N ATOM 0 H ASN A 78 5.964 -6.942 18.411 1.00 0.00 H new ATOM 0 HA ASN A 78 8.485 -8.004 17.813 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.435 -8.789 20.002 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.260 -7.491 20.078 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.386 -9.675 20.319 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.921 -8.133 19.641 1.00 0.00 H new ATOM 1298 N ASP A 79 6.060 -9.856 16.878 1.00 0.00 N ATOM 1299 CA ASP A 79 5.687 -11.107 16.227 1.00 0.00 C ATOM 1300 C ASP A 79 5.877 -11.010 14.716 1.00 0.00 C ATOM 1301 O ASP A 79 6.134 -12.012 14.049 1.00 0.00 O ATOM 1302 CB ASP A 79 4.235 -11.462 16.550 1.00 0.00 C ATOM 1303 CG ASP A 79 4.058 -11.933 17.980 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.806 -12.840 18.403 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.174 -11.394 18.677 1.00 0.00 O ATOM 0 H ASP A 79 5.348 -9.127 16.829 1.00 0.00 H new ATOM 0 HA ASP A 79 6.338 -11.895 16.607 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.604 -10.590 16.377 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.895 -12.242 15.869 1.00 0.00 H new ATOM 1310 N ARG A 80 5.748 -9.799 14.185 1.00 0.00 N ATOM 1311 CA ARG A 80 5.903 -9.572 12.753 1.00 0.00 C ATOM 1312 C ARG A 80 5.808 -8.085 12.425 1.00 0.00 C ATOM 1313 O ARG A 80 5.186 -7.316 13.159 1.00 0.00 O ATOM 1314 CB ARG A 80 4.837 -10.346 11.976 1.00 0.00 C ATOM 1315 CG ARG A 80 3.444 -9.748 12.088 1.00 0.00 C ATOM 1316 CD ARG A 80 2.592 -10.086 10.876 1.00 0.00 C ATOM 1317 NE ARG A 80 2.414 -11.526 10.716 1.00 0.00 N ATOM 1318 CZ ARG A 80 1.486 -12.227 11.358 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.656 -11.623 12.196 1.00 0.00 N ATOM 1320 NH2 ARG A 80 1.386 -13.536 11.160 1.00 0.00 N ATOM 0 H ARG A 80 5.537 -8.960 14.725 1.00 0.00 H new ATOM 0 HA ARG A 80 6.890 -9.929 12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.123 -10.385 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.812 -11.374 12.337 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.959 -10.121 12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.519 -8.665 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.617 -9.609 10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.058 -9.677 9.980 1.00 0.00 H new ATOM 0 HE ARG A 80 3.036 -12.021 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.729 -10.617 12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.056 -12.164 12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.022 -14.004 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.673 -14.073 11.653 1.00 0.00 H new ATOM 1334 N ILE A 81 6.428 -7.688 11.320 1.00 0.00 N ATOM 1335 CA ILE A 81 6.413 -6.294 10.894 1.00 0.00 C ATOM 1336 C ILE A 81 5.756 -6.143 9.526 1.00 0.00 C ATOM 1337 O ILE A 81 6.190 -6.748 8.546 1.00 0.00 O ATOM 1338 CB ILE A 81 7.837 -5.708 10.835 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.505 -5.796 12.208 1.00 0.00 C ATOM 1340 CG2 ILE A 81 7.796 -4.267 10.351 1.00 0.00 C ATOM 1341 CD1 ILE A 81 9.910 -5.238 12.232 1.00 0.00 C ATOM 0 H ILE A 81 6.948 -8.312 10.703 1.00 0.00 H new ATOM 0 HA ILE A 81 5.833 -5.744 11.635 1.00 0.00 H new ATOM 0 HB ILE A 81 8.426 -6.292 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.896 -5.258 12.935 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.531 -6.839 12.524 1.00 0.00 H new ATOM 0 HG21 ILE A 81 8.809 -3.866 10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.355 -4.230 9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.194 -3.670 11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.322 -5.333 13.237 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.533 -5.792 11.530 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.889 -4.186 11.947 1.00 0.00 H new ATOM 1353 N LYS A 82 4.706 -5.330 9.466 1.00 0.00 N ATOM 1354 CA LYS A 82 3.989 -5.097 8.218 1.00 0.00 C ATOM 1355 C LYS A 82 4.118 -3.641 7.782 1.00 0.00 C ATOM 1356 O LYS A 82 3.865 -2.723 8.564 1.00 0.00 O ATOM 1357 CB LYS A 82 2.513 -5.464 8.378 1.00 0.00 C ATOM 1358 CG LYS A 82 2.217 -6.929 8.105 1.00 0.00 C ATOM 1359 CD LYS A 82 0.919 -7.367 8.762 1.00 0.00 C ATOM 1360 CE LYS A 82 0.385 -8.648 8.140 1.00 0.00 C ATOM 1361 NZ LYS A 82 -0.159 -8.418 6.773 1.00 0.00 N ATOM 0 H LYS A 82 4.333 -4.821 10.268 1.00 0.00 H new ATOM 0 HA LYS A 82 4.432 -5.729 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.195 -5.220 9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.919 -4.850 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.155 -7.094 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.038 -7.542 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.083 -7.520 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.175 -6.576 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.183 -9.389 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.397 -9.062 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.748 -9.228 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.737 -7.553 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.627 -8.312 6.100 1.00 0.00 H new ATOM 1375 N VAL A 83 4.512 -3.435 6.529 1.00 0.00 N ATOM 1376 CA VAL A 83 4.671 -2.091 5.988 1.00 0.00 C ATOM 1377 C VAL A 83 3.780 -1.879 4.769 1.00 0.00 C ATOM 1378 O VAL A 83 3.794 -2.677 3.831 1.00 0.00 O ATOM 1379 CB VAL A 83 6.134 -1.814 5.594 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.290 -0.389 5.089 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.061 -2.077 6.772 1.00 0.00 C ATOM 0 H VAL A 83 4.727 -4.183 5.869 1.00 0.00 H new ATOM 0 HA VAL A 83 4.376 -1.397 6.775 1.00 0.00 H new ATOM 0 HB VAL A 83 6.410 -2.492 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.330 -0.212 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.655 -0.241 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.997 0.309 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.091 -1.876 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.788 -1.425 7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.969 -3.118 7.082 1.00 0.00 H new ATOM 1391 N SER A 84 3.005 -0.801 4.790 1.00 0.00 N ATOM 1392 CA SER A 84 2.103 -0.485 3.687 1.00 0.00 C ATOM 1393 C SER A 84 2.632 0.692 2.874 1.00 0.00 C ATOM 1394 O SER A 84 2.988 1.734 3.426 1.00 0.00 O ATOM 1395 CB SER A 84 0.705 -0.166 4.219 1.00 0.00 C ATOM 1396 OG SER A 84 -0.086 -1.338 4.308 1.00 0.00 O ATOM 0 H SER A 84 2.982 -0.130 5.558 1.00 0.00 H new ATOM 0 HA SER A 84 2.045 -1.357 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.784 0.299 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.219 0.556 3.563 1.00 0.00 H new ATOM 0 HG SER A 84 -0.974 -1.108 4.652 1.00 0.00 H new ATOM 1402 N LEU A 85 2.679 0.520 1.557 1.00 0.00 N ATOM 1403 CA LEU A 85 3.163 1.568 0.665 1.00 0.00 C ATOM 1404 C LEU A 85 2.133 1.883 -0.414 1.00 0.00 C ATOM 1405 O LEU A 85 1.247 1.077 -0.695 1.00 0.00 O ATOM 1406 CB LEU A 85 4.483 1.145 0.019 1.00 0.00 C ATOM 1407 CG LEU A 85 5.573 0.659 0.974 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.812 0.236 0.200 1.00 0.00 C ATOM 1409 CD2 LEU A 85 5.918 1.744 1.985 1.00 0.00 C ATOM 0 H LEU A 85 2.388 -0.335 1.084 1.00 0.00 H new ATOM 0 HA LEU A 85 3.328 2.468 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.275 0.350 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.874 1.990 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 85 5.195 -0.208 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.577 -0.107 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.555 -0.573 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.193 1.084 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.696 1.381 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.276 2.630 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.029 1.999 2.562 1.00 0.00 H new ATOM 1421 N SER A 86 2.256 3.061 -1.017 1.00 0.00 N ATOM 1422 CA SER A 86 1.334 3.485 -2.065 1.00 0.00 C ATOM 1423 C SER A 86 2.096 3.940 -3.306 1.00 0.00 C ATOM 1424 O SER A 86 3.244 4.373 -3.219 1.00 0.00 O ATOM 1425 CB SER A 86 0.438 4.616 -1.559 1.00 0.00 C ATOM 1426 OG SER A 86 -0.330 5.168 -2.614 1.00 0.00 O ATOM 0 H SER A 86 2.985 3.739 -0.798 1.00 0.00 H new ATOM 0 HA SER A 86 0.711 2.632 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.225 4.238 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.051 5.395 -1.105 1.00 0.00 H new ATOM 0 HG SER A 86 -1.253 4.846 -2.550 1.00 0.00 H new ATOM 1432 N MET A 87 1.447 3.838 -4.462 1.00 0.00 N ATOM 1433 CA MET A 87 2.061 4.240 -5.721 1.00 0.00 C ATOM 1434 C MET A 87 1.193 5.262 -6.447 1.00 0.00 C ATOM 1435 O MET A 87 1.703 6.175 -7.099 1.00 0.00 O ATOM 1436 CB MET A 87 2.288 3.020 -6.616 1.00 0.00 C ATOM 1437 CG MET A 87 3.390 2.098 -6.118 1.00 0.00 C ATOM 1438 SD MET A 87 3.468 0.550 -7.037 1.00 0.00 S ATOM 1439 CE MET A 87 3.602 1.158 -8.716 1.00 0.00 C ATOM 0 H MET A 87 0.496 3.480 -4.552 1.00 0.00 H new ATOM 0 HA MET A 87 3.023 4.700 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.359 2.455 -6.689 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.536 3.359 -7.622 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.349 2.610 -6.195 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.228 1.881 -5.062 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.025 0.380 -9.352 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.613 1.430 -9.084 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.250 2.034 -8.735 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.122 5.105 -6.332 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.061 6.015 -6.976 1.00 0.00 C ATOM 1451 C LYS A 88 -0.900 7.433 -6.440 1.00 0.00 C ATOM 1452 O LYS A 88 -1.450 8.384 -6.996 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.498 5.535 -6.757 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.957 5.631 -5.313 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.413 5.220 -5.163 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.948 5.560 -3.779 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.436 5.596 -3.753 1.00 0.00 N ATOM 0 H LYS A 88 -0.561 4.355 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.845 6.024 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.168 6.124 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.581 4.500 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.332 4.993 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.828 6.653 -4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.014 5.723 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.510 4.149 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.590 4.823 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.556 6.528 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.763 5.747 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.775 6.373 -4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.811 4.693 -4.108 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.142 7.570 -5.357 1.00 0.00 N ATOM 1472 CA VAL A 89 0.093 8.872 -4.747 1.00 0.00 C ATOM 1473 C VAL A 89 1.528 9.335 -4.975 1.00 0.00 C ATOM 1474 O VAL A 89 2.039 10.191 -4.254 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.190 8.843 -3.233 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.628 8.425 -2.967 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.784 7.913 -2.527 1.00 0.00 C ATOM 0 H VAL A 89 0.320 6.794 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.593 9.572 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.050 9.848 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.810 8.410 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.307 9.135 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.800 7.430 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.570 7.905 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.678 6.904 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.804 8.262 -2.690 1.00 0.00 H new ATOM 1487 N VAL A 90 2.175 8.760 -5.984 1.00 0.00 N ATOM 1488 CA VAL A 90 3.552 9.115 -6.310 1.00 0.00 C ATOM 1489 C VAL A 90 3.799 9.038 -7.812 1.00 0.00 C ATOM 1490 O VAL A 90 3.288 8.147 -8.490 1.00 0.00 O ATOM 1491 CB VAL A 90 4.554 8.194 -5.588 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.965 8.753 -5.693 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.152 8.008 -4.133 1.00 0.00 C ATOM 0 H VAL A 90 1.768 8.047 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 90 3.703 10.140 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 90 4.539 7.218 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.659 8.089 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.249 8.830 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.000 9.741 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.870 7.355 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.137 8.976 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.160 7.559 -4.084 1.00 0.00 H new ATOM 1503 N ASN A 91 4.587 9.977 -8.326 1.00 0.00 N ATOM 1504 CA ASN A 91 4.901 10.016 -9.750 1.00 0.00 C ATOM 1505 C ASN A 91 5.944 8.960 -10.105 1.00 0.00 C ATOM 1506 O ASN A 91 6.987 8.861 -9.459 1.00 0.00 O ATOM 1507 CB ASN A 91 5.411 11.403 -10.143 1.00 0.00 C ATOM 1508 CG ASN A 91 5.490 11.586 -11.646 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.779 10.642 -12.383 1.00 0.00 O ATOM 1510 ND2 ASN A 91 5.234 12.804 -12.109 1.00 0.00 N ATOM 0 H ASN A 91 5.020 10.721 -7.778 1.00 0.00 H new ATOM 0 HA ASN A 91 3.987 9.801 -10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.752 12.162 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.398 11.561 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.273 12.987 -13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.999 13.557 -11.462 1.00 0.00 H new ATOM 1517 N GLN A 92 5.654 8.172 -11.135 1.00 0.00 N ATOM 1518 CA GLN A 92 6.566 7.124 -11.577 1.00 0.00 C ATOM 1519 C GLN A 92 7.550 7.659 -12.612 1.00 0.00 C ATOM 1520 O GLN A 92 7.895 6.968 -13.569 1.00 0.00 O ATOM 1521 CB GLN A 92 5.782 5.948 -12.160 1.00 0.00 C ATOM 1522 CG GLN A 92 4.558 5.567 -11.342 1.00 0.00 C ATOM 1523 CD GLN A 92 4.884 5.326 -9.882 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.038 5.092 -9.523 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.867 5.382 -9.031 1.00 0.00 N ATOM 0 H GLN A 92 4.794 8.240 -11.679 1.00 0.00 H new ATOM 0 HA GLN A 92 7.131 6.780 -10.710 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.468 6.198 -13.173 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.442 5.084 -12.235 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.814 6.360 -11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.110 4.667 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.926 5.579 -9.373 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.026 5.228 -8.035 1.00 0.00 H new ATOM 1534 N GLY A 93 7.999 8.894 -12.412 1.00 0.00 N ATOM 1535 CA GLY A 93 8.939 9.501 -13.337 1.00 0.00 C ATOM 1536 C GLY A 93 9.893 10.457 -12.650 1.00 0.00 C ATOM 1537 O GLY A 93 11.068 10.540 -13.010 1.00 0.00 O ATOM 0 H GLY A 93 7.729 9.485 -11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.510 8.718 -13.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.388 10.036 -14.111 1.00 0.00 H new ATOM 1541 N THR A 94 9.388 11.184 -11.658 1.00 0.00 N ATOM 1542 CA THR A 94 10.202 12.142 -10.921 1.00 0.00 C ATOM 1543 C THR A 94 10.202 11.831 -9.430 1.00 0.00 C ATOM 1544 O THR A 94 11.102 12.243 -8.698 1.00 0.00 O ATOM 1545 CB THR A 94 9.703 13.584 -11.133 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.427 13.757 -10.508 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.595 13.906 -12.616 1.00 0.00 C ATOM 0 H THR A 94 8.418 11.127 -11.347 1.00 0.00 H new ATOM 0 HA THR A 94 11.218 12.056 -11.307 1.00 0.00 H new ATOM 0 HB THR A 94 10.424 14.265 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.117 14.677 -10.646 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.241 14.929 -12.741 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.574 13.801 -13.083 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.893 13.219 -13.087 1.00 0.00 H new ATOM 1555 N GLY A 95 9.186 11.099 -8.982 1.00 0.00 N ATOM 1556 CA GLY A 95 9.089 10.743 -7.578 1.00 0.00 C ATOM 1557 C GLY A 95 8.496 11.857 -6.738 1.00 0.00 C ATOM 1558 O GLY A 95 8.702 11.907 -5.525 1.00 0.00 O ATOM 0 H GLY A 95 8.428 10.746 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.475 9.848 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.081 10.495 -7.200 1.00 0.00 H new ATOM 1562 N LYS A 96 7.759 12.755 -7.384 1.00 0.00 N ATOM 1563 CA LYS A 96 7.135 13.875 -6.689 1.00 0.00 C ATOM 1564 C LYS A 96 5.801 13.459 -6.076 1.00 0.00 C ATOM 1565 O LYS A 96 5.008 12.760 -6.708 1.00 0.00 O ATOM 1566 CB LYS A 96 6.924 15.045 -7.653 1.00 0.00 C ATOM 1567 CG LYS A 96 6.957 16.404 -6.976 1.00 0.00 C ATOM 1568 CD LYS A 96 7.325 17.506 -7.955 1.00 0.00 C ATOM 1569 CE LYS A 96 6.138 17.903 -8.819 1.00 0.00 C ATOM 1570 NZ LYS A 96 6.519 18.893 -9.864 1.00 0.00 N ATOM 0 H LYS A 96 7.579 12.729 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 96 7.801 14.190 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.694 15.013 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.965 14.922 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.982 16.617 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.678 16.387 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.684 18.377 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.144 17.170 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.722 17.015 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.355 18.324 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.683 19.138 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.893 19.751 -9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.248 18.483 -10.481 1.00 0.00 H new ATOM 1584 N ASP A 97 5.560 13.896 -4.845 1.00 0.00 N ATOM 1585 CA ASP A 97 4.321 13.571 -4.148 1.00 0.00 C ATOM 1586 C ASP A 97 3.112 14.093 -4.918 1.00 0.00 C ATOM 1587 O ASP A 97 3.052 15.270 -5.276 1.00 0.00 O ATOM 1588 CB ASP A 97 4.336 14.160 -2.736 1.00 0.00 C ATOM 1589 CG ASP A 97 3.472 13.371 -1.772 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.358 12.966 -2.166 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.910 13.159 -0.622 1.00 0.00 O ATOM 0 H ASP A 97 6.206 14.476 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 97 4.245 12.486 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.361 14.183 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.987 15.192 -2.772 1.00 0.00 H new ATOM 1596 N LEU A 98 2.152 13.211 -5.170 1.00 0.00 N ATOM 1597 CA LEU A 98 0.943 13.583 -5.899 1.00 0.00 C ATOM 1598 C LEU A 98 -0.192 13.918 -4.936 1.00 0.00 C ATOM 1599 O LEU A 98 -1.188 14.529 -5.324 1.00 0.00 O ATOM 1600 CB LEU A 98 0.517 12.447 -6.832 1.00 0.00 C ATOM 1601 CG LEU A 98 1.595 11.916 -7.777 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.123 10.643 -8.463 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.971 12.970 -8.806 1.00 0.00 C ATOM 0 H LEU A 98 2.186 12.233 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 98 1.164 14.470 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.156 11.619 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.326 12.792 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 98 2.482 11.681 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.903 10.279 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.906 9.884 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.221 10.852 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.740 12.573 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.091 13.238 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.353 13.855 -8.297 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.033 13.516 -3.680 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.043 13.777 -2.660 1.00 0.00 C ATOM 1617 C ASP A 99 -0.415 14.415 -1.425 1.00 0.00 C ATOM 1618 O ASP A 99 -0.169 13.758 -0.413 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.755 12.480 -2.274 1.00 0.00 C ATOM 1620 CG ASP A 99 -0.869 11.553 -1.465 1.00 0.00 C ATOM 1621 OD1 ASP A 99 0.369 11.644 -1.604 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -1.414 10.734 -0.694 1.00 0.00 O ATOM 0 H ASP A 99 0.785 13.008 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.772 14.473 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.650 12.717 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.084 11.967 -3.177 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.150 15.727 -1.507 1.00 0.00 N ATOM 1628 CA PRO A 100 0.454 16.483 -0.405 1.00 0.00 C ATOM 1629 C PRO A 100 -0.500 16.650 0.773 1.00 0.00 C ATOM 1630 O PRO A 100 -0.160 17.279 1.774 1.00 0.00 O ATOM 1631 CB PRO A 100 0.767 17.842 -1.037 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.200 17.968 -2.162 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.416 16.575 -2.682 1.00 0.00 C ATOM 0 HA PRO A 100 1.328 15.978 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.644 18.651 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.796 17.885 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.138 18.407 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.193 18.619 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.431 16.438 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.260 16.344 -3.505 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.696 16.083 0.646 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.699 16.170 1.701 1.00 0.00 C ATOM 1643 C ASN A 101 -2.723 14.892 2.534 1.00 0.00 C ATOM 1644 O ASN A 101 -2.913 14.936 3.750 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.082 16.426 1.098 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.268 15.732 -0.238 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.423 15.836 -1.127 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -5.378 15.018 -0.384 1.00 0.00 N ATOM 0 H ASN A 101 -1.994 15.559 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.435 17.003 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.848 16.081 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.227 17.499 0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.557 14.528 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.051 14.960 0.380 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.531 13.756 1.872 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.531 12.466 2.552 1.00 0.00 C ATOM 1657 C ASN A 102 -3.875 12.207 3.227 1.00 0.00 C ATOM 1658 O ASN A 102 -3.930 11.811 4.392 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.408 12.412 3.589 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.217 13.265 3.197 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.564 12.895 2.319 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.073 14.414 3.846 1.00 0.00 N ATOM 0 H ASN A 102 -2.373 13.702 0.866 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.364 11.690 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.791 12.748 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.085 11.379 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.709 15.030 3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.744 14.680 4.566 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.956 12.432 2.487 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.299 12.222 3.014 1.00 0.00 C ATOM 1671 C VAL A 103 -6.981 11.044 2.326 1.00 0.00 C ATOM 1672 O VAL A 103 -8.022 10.567 2.777 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.173 13.479 2.840 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.559 13.251 3.426 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.505 14.685 3.483 1.00 0.00 C ATOM 0 H VAL A 103 -4.928 12.759 1.521 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.192 12.007 4.077 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.284 13.679 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.162 14.149 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.037 12.415 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.472 13.025 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.136 15.564 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.362 14.498 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.537 14.859 3.012 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.385 10.580 1.233 1.00 0.00 N ATOM 1686 CA ILE A 104 -6.934 9.455 0.484 1.00 0.00 C ATOM 1687 C ILE A 104 -6.498 8.126 1.090 1.00 0.00 C ATOM 1688 O ILE A 104 -7.313 7.222 1.278 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.501 9.499 -0.994 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.101 10.724 -1.687 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.921 8.222 -1.707 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.329 12.000 -1.434 1.00 0.00 C ATOM 0 H ILE A 104 -5.523 10.965 0.846 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.019 9.538 0.540 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.415 9.576 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.142 10.540 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.128 10.857 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.608 8.268 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.451 7.365 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.005 8.117 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.811 12.827 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.310 12.208 -0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.308 11.886 -1.800 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.210 8.015 1.396 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.667 6.797 1.983 1.00 0.00 C ATOM 1706 C ILE A 105 -5.350 6.474 3.308 1.00 0.00 C ATOM 1707 O ILE A 105 -5.309 5.337 3.778 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.149 6.913 2.217 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -2.850 8.013 3.238 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.431 7.190 0.904 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -2.818 7.520 4.667 1.00 0.00 C ATOM 0 H ILE A 105 -4.523 8.754 1.247 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.857 5.992 1.273 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.784 5.966 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.889 8.468 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.604 8.795 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.359 7.269 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.622 6.375 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.797 8.125 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.601 8.354 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.786 7.091 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.044 6.760 4.772 1.00 0.00 H new ATOM 1723 N GLU A 106 -5.980 7.481 3.904 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.673 7.304 5.175 1.00 0.00 C ATOM 1725 C GLU A 106 -8.058 6.700 4.958 1.00 0.00 C ATOM 1726 O GLU A 106 -9.011 7.407 4.632 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.796 8.642 5.906 1.00 0.00 C ATOM 1728 CG GLU A 106 -7.639 8.571 7.169 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.236 9.608 8.198 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.046 9.987 8.223 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.108 10.040 8.979 1.00 0.00 O ATOM 0 H GLU A 106 -6.025 8.428 3.527 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.087 6.618 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.799 8.998 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.232 9.377 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.688 8.711 6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.549 7.577 7.606 1.00 0.00 H new