USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 403 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 41 GLN : amide:sc= -7.35! C(o=-12!,f=-9.9!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.84! C(o=-12!,f=-9.9!) USER MOD Single : A 17 THR OG1 : rot -46:sc= 1.18 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 176:sc= -5.7! (180deg=-5.83!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.854 X(o=-0.85,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.107 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -1.74! USER MOD Single : A 65 MET CE :methyl -160:sc= -1.89 (180deg=-2.71!) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 2.280 10.773 -3.203 1.00 0.00 N ATOM 262 CA THR A 17 3.495 10.603 -3.982 1.00 0.00 C ATOM 263 C THR A 17 3.989 9.158 -3.889 1.00 0.00 C ATOM 264 O THR A 17 3.673 8.450 -2.935 1.00 0.00 O ATOM 265 CB THR A 17 4.519 11.628 -3.491 1.00 0.00 C ATOM 266 OG1 THR A 17 4.280 11.714 -2.089 1.00 0.00 O ATOM 267 CG2 THR A 17 4.228 13.039 -4.006 1.00 0.00 C ATOM 0 HA THR A 17 3.315 10.785 -5.041 1.00 0.00 H new ATOM 0 HB THR A 17 5.517 11.324 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.317 11.791 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.984 13.727 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.248 13.040 -5.096 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.244 13.356 -3.661 1.00 0.00 H new ATOM 275 N GLN A 18 4.757 8.763 -4.894 1.00 0.00 N ATOM 276 CA GLN A 18 5.299 7.415 -4.938 1.00 0.00 C ATOM 277 C GLN A 18 6.018 7.090 -3.628 1.00 0.00 C ATOM 278 O GLN A 18 5.998 5.947 -3.172 1.00 0.00 O ATOM 279 CB GLN A 18 6.234 7.239 -6.136 1.00 0.00 C ATOM 280 CG GLN A 18 7.465 8.138 -6.008 1.00 0.00 C ATOM 281 CD GLN A 18 8.244 8.192 -7.324 1.00 0.00 C ATOM 282 OE1 GLN A 18 9.287 7.579 -7.484 1.00 0.00 O ATOM 283 NE2 GLN A 18 7.681 8.958 -8.254 1.00 0.00 N ATOM 0 H GLN A 18 5.017 9.353 -5.684 1.00 0.00 H new ATOM 0 HA GLN A 18 4.472 6.715 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.546 6.197 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.700 7.476 -7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.157 9.144 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.111 7.765 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.807 9.444 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.124 9.060 -9.167 1.00 0.00 H new ATOM 292 N GLY A 19 6.638 8.114 -3.060 1.00 0.00 N ATOM 293 CA GLY A 19 7.363 7.950 -1.811 1.00 0.00 C ATOM 294 C GLY A 19 6.398 7.776 -0.636 1.00 0.00 C ATOM 295 O GLY A 19 6.698 7.057 0.316 1.00 0.00 O ATOM 0 H GLY A 19 6.653 9.060 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.020 7.083 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.999 8.818 -1.639 1.00 0.00 H new ATOM 299 N GLU A 20 5.260 8.445 -0.742 1.00 0.00 N ATOM 300 CA GLU A 20 4.250 8.373 0.300 1.00 0.00 C ATOM 301 C GLU A 20 3.641 6.970 0.353 1.00 0.00 C ATOM 302 O GLU A 20 3.376 6.445 1.433 1.00 0.00 O ATOM 303 CB GLU A 20 3.167 9.433 0.088 1.00 0.00 C ATOM 304 CG GLU A 20 3.540 10.744 0.782 1.00 0.00 C ATOM 305 CD GLU A 20 2.383 11.744 0.724 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.237 12.380 -0.342 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.672 11.850 1.746 1.00 0.00 O ATOM 0 H GLU A 20 5.015 9.040 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 20 4.729 8.577 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.029 9.609 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.216 9.069 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.804 10.547 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.421 11.174 0.306 1.00 0.00 H new ATOM 314 N LEU A 21 3.437 6.403 -0.828 1.00 0.00 N ATOM 315 CA LEU A 21 2.864 5.072 -0.929 1.00 0.00 C ATOM 316 C LEU A 21 3.770 4.075 -0.204 1.00 0.00 C ATOM 317 O LEU A 21 3.286 3.181 0.488 1.00 0.00 O ATOM 318 CB LEU A 21 2.601 4.712 -2.393 1.00 0.00 C ATOM 319 CG LEU A 21 1.347 3.879 -2.664 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.098 2.879 -1.534 1.00 0.00 C ATOM 321 CD2 LEU A 21 0.134 4.779 -2.911 1.00 0.00 C ATOM 0 H LEU A 21 3.658 6.841 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 21 1.892 5.037 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.530 5.636 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.465 4.166 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 21 1.510 3.302 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.201 2.300 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.952 2.207 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.964 3.417 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.744 4.162 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.042 5.401 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.324 5.416 -3.775 1.00 0.00 H new ATOM 333 N MET A 22 5.069 4.262 -0.387 1.00 0.00 N ATOM 334 CA MET A 22 6.047 3.391 0.241 1.00 0.00 C ATOM 335 C MET A 22 5.840 3.337 1.756 1.00 0.00 C ATOM 336 O MET A 22 5.642 2.263 2.321 1.00 0.00 O ATOM 337 CB MET A 22 7.456 3.901 -0.065 1.00 0.00 C ATOM 338 CG MET A 22 8.511 3.077 0.677 1.00 0.00 C ATOM 339 SD MET A 22 8.133 1.338 0.542 1.00 0.00 S ATOM 340 CE MET A 22 8.258 1.130 -1.227 1.00 0.00 C ATOM 0 H MET A 22 5.467 5.005 -0.962 1.00 0.00 H new ATOM 0 HA MET A 22 5.921 2.385 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.639 3.851 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.538 4.949 0.224 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.499 3.276 0.261 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.542 3.371 1.726 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.120 0.079 -1.480 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.489 1.726 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.241 1.458 -1.563 1.00 0.00 H new ATOM 350 N LYS A 23 5.894 4.510 2.370 1.00 0.00 N ATOM 351 CA LYS A 23 5.716 4.610 3.809 1.00 0.00 C ATOM 352 C LYS A 23 4.323 4.099 4.182 1.00 0.00 C ATOM 353 O LYS A 23 4.119 3.590 5.283 1.00 0.00 O ATOM 354 CB LYS A 23 5.995 6.037 4.285 1.00 0.00 C ATOM 355 CG LYS A 23 7.489 6.361 4.200 1.00 0.00 C ATOM 356 CD LYS A 23 7.759 7.811 4.606 1.00 0.00 C ATOM 357 CE LYS A 23 8.089 8.670 3.384 1.00 0.00 C ATOM 358 NZ LYS A 23 8.584 10.000 3.803 1.00 0.00 N ATOM 0 H LYS A 23 6.058 5.399 1.898 1.00 0.00 H new ATOM 0 HA LYS A 23 6.438 3.979 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.431 6.744 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.651 6.155 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.048 5.688 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.844 6.192 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.886 8.218 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.587 7.846 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.842 8.171 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.201 8.785 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.803 10.570 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.854 10.481 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.444 9.885 4.377 1.00 0.00 H new ATOM 372 N LEU A 24 3.400 4.252 3.244 1.00 0.00 N ATOM 373 CA LEU A 24 2.032 3.813 3.461 1.00 0.00 C ATOM 374 C LEU A 24 2.002 2.286 3.564 1.00 0.00 C ATOM 375 O LEU A 24 1.346 1.733 4.445 1.00 0.00 O ATOM 376 CB LEU A 24 1.111 4.374 2.376 1.00 0.00 C ATOM 377 CG LEU A 24 0.581 5.790 2.613 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.313 6.504 1.287 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.655 5.770 3.513 1.00 0.00 C ATOM 0 H LEU A 24 3.573 4.674 2.332 1.00 0.00 H new ATOM 0 HA LEU A 24 1.651 4.205 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.650 4.363 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.260 3.702 2.267 1.00 0.00 H new ATOM 0 HG LEU A 24 1.350 6.359 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.063 7.508 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.239 6.569 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.428 5.945 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.011 6.789 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.439 5.178 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.397 5.328 4.476 1.00 0.00 H new ATOM 391 N ILE A 25 2.721 1.649 2.651 1.00 0.00 N ATOM 392 CA ILE A 25 2.784 0.198 2.628 1.00 0.00 C ATOM 393 C ILE A 25 3.540 -0.295 3.864 1.00 0.00 C ATOM 394 O ILE A 25 3.107 -1.237 4.526 1.00 0.00 O ATOM 395 CB ILE A 25 3.381 -0.291 1.307 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.302 -0.411 0.229 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.144 -1.603 1.503 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.921 -0.732 -1.133 1.00 0.00 C ATOM 0 H ILE A 25 3.265 2.111 1.922 1.00 0.00 H new ATOM 0 HA ILE A 25 1.782 -0.228 2.676 1.00 0.00 H new ATOM 0 HB ILE A 25 4.100 0.451 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.594 -1.193 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.740 0.521 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.558 -1.929 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.953 -1.450 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.464 -2.366 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.132 -0.812 -1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.610 0.063 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.462 -1.677 -1.073 1.00 0.00 H new ATOM 410 N LYS A 26 4.656 0.365 4.138 1.00 0.00 N ATOM 411 CA LYS A 26 5.475 0.006 5.283 1.00 0.00 C ATOM 412 C LYS A 26 4.694 0.279 6.570 1.00 0.00 C ATOM 413 O LYS A 26 4.749 -0.508 7.513 1.00 0.00 O ATOM 414 CB LYS A 26 6.826 0.721 5.220 1.00 0.00 C ATOM 415 CG LYS A 26 7.866 0.005 6.084 1.00 0.00 C ATOM 416 CD LYS A 26 8.036 0.707 7.433 1.00 0.00 C ATOM 417 CE LYS A 26 8.588 -0.255 8.486 1.00 0.00 C ATOM 418 NZ LYS A 26 10.011 0.042 8.764 1.00 0.00 N ATOM 0 H LYS A 26 5.012 1.146 3.587 1.00 0.00 H new ATOM 0 HA LYS A 26 5.703 -1.060 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.172 0.762 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.713 1.751 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.561 -1.029 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.822 -0.022 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.710 1.556 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.076 1.103 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.007 -0.171 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.486 -1.283 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.370 -0.620 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.564 -0.061 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.100 1.016 9.117 1.00 0.00 H new ATOM 432 N GLU A 27 3.985 1.399 6.567 1.00 0.00 N ATOM 433 CA GLU A 27 3.193 1.786 7.723 1.00 0.00 C ATOM 434 C GLU A 27 2.253 0.648 8.128 1.00 0.00 C ATOM 435 O GLU A 27 2.018 0.426 9.314 1.00 0.00 O ATOM 436 CB GLU A 27 2.411 3.071 7.446 1.00 0.00 C ATOM 437 CG GLU A 27 3.172 4.296 7.958 1.00 0.00 C ATOM 438 CD GLU A 27 2.277 5.166 8.844 1.00 0.00 C ATOM 439 OE1 GLU A 27 1.341 4.593 9.441 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.549 6.385 8.903 1.00 0.00 O ATOM 0 H GLU A 27 3.942 2.050 5.783 1.00 0.00 H new ATOM 0 HA GLU A 27 3.871 1.984 8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.234 3.170 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.434 3.018 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.047 3.975 8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.535 4.882 7.114 1.00 0.00 H new ATOM 447 N ILE A 28 1.742 -0.041 7.118 1.00 0.00 N ATOM 448 CA ILE A 28 0.833 -1.150 7.354 1.00 0.00 C ATOM 449 C ILE A 28 1.593 -2.293 8.029 1.00 0.00 C ATOM 450 O ILE A 28 1.062 -2.958 8.917 1.00 0.00 O ATOM 451 CB ILE A 28 0.136 -1.557 6.055 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.171 -0.784 5.867 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.081 -3.071 6.000 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.218 -0.112 4.493 1.00 0.00 C ATOM 0 H ILE A 28 1.940 0.147 6.135 1.00 0.00 H new ATOM 0 HA ILE A 28 0.037 -0.851 8.036 1.00 0.00 H new ATOM 0 HB ILE A 28 0.788 -1.294 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.017 -1.463 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.267 -0.030 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.578 -3.334 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.882 -3.579 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.702 -3.380 6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.157 0.431 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.384 0.584 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.146 -0.871 3.714 1.00 0.00 H new ATOM 466 N VAL A 29 2.825 -2.486 7.581 1.00 0.00 N ATOM 467 CA VAL A 29 3.665 -3.537 8.130 1.00 0.00 C ATOM 468 C VAL A 29 4.257 -3.069 9.461 1.00 0.00 C ATOM 469 O VAL A 29 5.248 -3.624 9.933 1.00 0.00 O ATOM 470 CB VAL A 29 4.731 -3.942 7.111 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.205 -5.377 7.352 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.217 -3.767 5.680 1.00 0.00 C ATOM 0 H VAL A 29 3.262 -1.932 6.844 1.00 0.00 H new ATOM 0 HA VAL A 29 3.074 -4.430 8.334 1.00 0.00 H new ATOM 0 HB VAL A 29 5.587 -3.281 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.963 -5.639 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.631 -5.456 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.360 -6.059 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.995 -4.062 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.336 -4.392 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.954 -2.723 5.513 1.00 0.00 H new ATOM 482 N GLU A 30 3.625 -2.051 10.028 1.00 0.00 N ATOM 483 CA GLU A 30 4.077 -1.502 11.294 1.00 0.00 C ATOM 484 C GLU A 30 3.888 -2.526 12.415 1.00 0.00 C ATOM 485 O GLU A 30 4.619 -2.511 13.404 1.00 0.00 O ATOM 486 CB GLU A 30 3.348 -0.195 11.616 1.00 0.00 C ATOM 487 CG GLU A 30 3.989 0.985 10.883 1.00 0.00 C ATOM 488 CD GLU A 30 5.114 1.603 11.716 1.00 0.00 C ATOM 489 OE1 GLU A 30 4.782 2.427 12.596 1.00 0.00 O ATOM 490 OE2 GLU A 30 6.280 1.237 11.455 1.00 0.00 O ATOM 0 H GLU A 30 2.804 -1.593 9.633 1.00 0.00 H new ATOM 0 HA GLU A 30 5.140 -1.276 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.300 -0.279 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.372 -0.016 12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.384 0.651 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.232 1.740 10.671 1.00 0.00 H new ATOM 497 N ASN A 31 2.903 -3.391 12.223 1.00 0.00 N ATOM 498 CA ASN A 31 2.608 -4.420 13.206 1.00 0.00 C ATOM 499 C ASN A 31 2.016 -5.640 12.498 1.00 0.00 C ATOM 500 O ASN A 31 0.940 -6.111 12.862 1.00 0.00 O ATOM 501 CB ASN A 31 1.587 -3.926 14.232 1.00 0.00 C ATOM 502 CG ASN A 31 0.286 -3.499 13.548 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.229 -2.521 12.820 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.752 -4.283 13.823 1.00 0.00 N ATOM 0 H ASN A 31 2.299 -3.401 11.401 1.00 0.00 H new ATOM 0 HA ASN A 31 3.537 -4.675 13.717 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.380 -4.716 14.954 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.002 -3.086 14.789 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.665 -4.081 13.416 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.635 -5.086 14.441 1.00 0.00 H new ATOM 511 N GLU A 32 2.743 -6.116 11.498 1.00 0.00 N ATOM 512 CA GLU A 32 2.303 -7.272 10.736 1.00 0.00 C ATOM 513 C GLU A 32 2.133 -8.482 11.657 1.00 0.00 C ATOM 514 O GLU A 32 1.853 -8.327 12.845 1.00 0.00 O ATOM 515 CB GLU A 32 3.277 -7.582 9.598 1.00 0.00 C ATOM 516 CG GLU A 32 4.598 -8.131 10.141 1.00 0.00 C ATOM 517 CD GLU A 32 5.066 -9.339 9.326 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.537 -9.109 8.191 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.943 -10.464 9.856 1.00 0.00 O ATOM 0 H GLU A 32 3.634 -5.722 11.198 1.00 0.00 H new ATOM 0 HA GLU A 32 1.336 -7.041 10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.829 -8.308 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.465 -6.678 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.359 -7.351 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.475 -8.418 11.185 1.00 0.00 H new ATOM 526 N ASP A 33 2.309 -9.658 11.074 1.00 0.00 N ATOM 527 CA ASP A 33 2.178 -10.894 11.828 1.00 0.00 C ATOM 528 C ASP A 33 2.948 -12.006 11.113 1.00 0.00 C ATOM 529 O ASP A 33 3.089 -11.982 9.891 1.00 0.00 O ATOM 530 CB ASP A 33 0.713 -11.324 11.931 1.00 0.00 C ATOM 531 CG ASP A 33 0.281 -11.820 13.312 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.617 -11.126 14.296 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.376 -12.883 13.353 1.00 0.00 O ATOM 0 H ASP A 33 2.541 -9.782 10.089 1.00 0.00 H new ATOM 0 HA ASP A 33 2.574 -10.722 12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.082 -10.481 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.530 -12.115 11.204 1.00 0.00 H new ATOM 538 N LYS A 34 3.426 -12.954 11.905 1.00 0.00 N ATOM 539 CA LYS A 34 4.179 -14.073 11.363 1.00 0.00 C ATOM 540 C LYS A 34 3.211 -15.073 10.728 1.00 0.00 C ATOM 541 O LYS A 34 3.398 -15.483 9.584 1.00 0.00 O ATOM 542 CB LYS A 34 5.077 -14.686 12.439 1.00 0.00 C ATOM 543 CG LYS A 34 6.360 -13.869 12.613 1.00 0.00 C ATOM 544 CD LYS A 34 7.405 -14.260 11.566 1.00 0.00 C ATOM 545 CE LYS A 34 8.629 -14.899 12.225 1.00 0.00 C ATOM 546 NZ LYS A 34 9.819 -14.753 11.358 1.00 0.00 N ATOM 0 H LYS A 34 3.307 -12.971 12.918 1.00 0.00 H new ATOM 0 HA LYS A 34 4.851 -13.734 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.538 -14.730 13.386 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.328 -15.711 12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.133 -12.806 12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.764 -14.028 13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.966 -14.957 10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.710 -13.377 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.816 -14.430 13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.437 -15.955 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.641 -15.192 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.644 -15.221 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.010 -13.743 11.198 1.00 0.00 H new ATOM 560 N ARG A 35 2.196 -15.437 11.499 1.00 0.00 N ATOM 561 CA ARG A 35 1.198 -16.381 11.026 1.00 0.00 C ATOM 562 C ARG A 35 0.271 -15.710 10.011 1.00 0.00 C ATOM 563 O ARG A 35 -0.602 -16.359 9.437 1.00 0.00 O ATOM 564 CB ARG A 35 0.363 -16.927 12.186 1.00 0.00 C ATOM 565 CG ARG A 35 -0.443 -18.153 11.751 1.00 0.00 C ATOM 566 CD ARG A 35 -1.100 -18.832 12.955 1.00 0.00 C ATOM 567 NE ARG A 35 -1.333 -20.264 12.664 1.00 0.00 N ATOM 568 CZ ARG A 35 -1.592 -21.188 13.599 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.652 -20.836 14.891 1.00 0.00 N ATOM 570 NH2 ARG A 35 -1.790 -22.465 13.243 1.00 0.00 N ATOM 0 H ARG A 35 2.044 -15.095 12.448 1.00 0.00 H new ATOM 0 HA ARG A 35 1.724 -17.209 10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.017 -17.193 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.313 -16.153 12.548 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.208 -17.854 11.035 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.211 -18.861 11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.462 -18.730 13.833 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.045 -18.342 13.189 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.294 -20.567 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.500 -19.865 15.162 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.849 -21.540 15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.743 -22.734 12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.987 -23.168 13.955 1.00 0.00 H new ATOM 584 N LYS A 36 0.492 -14.417 9.820 1.00 0.00 N ATOM 585 CA LYS A 36 -0.313 -13.651 8.884 1.00 0.00 C ATOM 586 C LYS A 36 0.364 -12.304 8.620 1.00 0.00 C ATOM 587 O LYS A 36 -0.128 -11.263 9.052 1.00 0.00 O ATOM 588 CB LYS A 36 -1.751 -13.528 9.390 1.00 0.00 C ATOM 589 CG LYS A 36 -2.721 -14.275 8.472 1.00 0.00 C ATOM 590 CD LYS A 36 -3.179 -13.383 7.316 1.00 0.00 C ATOM 591 CE LYS A 36 -3.151 -14.147 5.990 1.00 0.00 C ATOM 592 NZ LYS A 36 -2.527 -13.324 4.931 1.00 0.00 N ATOM 0 H LYS A 36 1.217 -13.881 10.298 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.380 -14.168 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.820 -13.929 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.033 -12.476 9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.238 -15.169 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.587 -14.607 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.188 -13.020 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.533 -12.508 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.595 -15.077 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.166 -14.418 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.516 -13.857 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.074 -12.448 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.552 -13.087 5.205 1.00 0.00 H new ATOM 606 N PRO A 37 1.512 -12.370 7.893 1.00 0.00 N ATOM 607 CA PRO A 37 2.261 -11.168 7.567 1.00 0.00 C ATOM 608 C PRO A 37 1.565 -10.372 6.461 1.00 0.00 C ATOM 609 O PRO A 37 0.789 -10.928 5.685 1.00 0.00 O ATOM 610 CB PRO A 37 3.641 -11.662 7.165 1.00 0.00 C ATOM 611 CG PRO A 37 3.476 -13.136 6.834 1.00 0.00 C ATOM 612 CD PRO A 37 2.124 -13.585 7.365 1.00 0.00 C ATOM 0 HA PRO A 37 2.329 -10.474 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.019 -11.109 6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.357 -11.521 7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.535 -13.294 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.277 -13.721 7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.515 -14.025 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.235 -14.342 8.141 1.00 0.00 H new ATOM 620 N TYR A 38 1.868 -9.082 6.425 1.00 0.00 N ATOM 621 CA TYR A 38 1.281 -8.204 5.427 1.00 0.00 C ATOM 622 C TYR A 38 2.091 -8.231 4.129 1.00 0.00 C ATOM 623 O TYR A 38 2.630 -7.208 3.708 1.00 0.00 O ATOM 624 CB TYR A 38 1.337 -6.795 6.020 1.00 0.00 C ATOM 625 CG TYR A 38 0.406 -6.586 7.216 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.465 -7.587 7.595 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.439 -5.397 7.916 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.341 -7.390 8.721 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.437 -5.200 9.042 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.284 -6.207 9.389 1.00 0.00 C ATOM 631 OH TYR A 38 -2.111 -6.021 10.452 1.00 0.00 O ATOM 0 H TYR A 38 2.512 -8.624 7.070 1.00 0.00 H new ATOM 0 HA TYR A 38 0.264 -8.518 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.361 -6.582 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.081 -6.074 5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.490 -8.518 7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.122 -4.614 7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.028 -8.165 9.028 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.422 -4.274 9.598 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.960 -5.131 10.832 1.00 0.00 H new ATOM 641 N SER A 39 2.152 -9.411 3.531 1.00 0.00 N ATOM 642 CA SER A 39 2.887 -9.584 2.289 1.00 0.00 C ATOM 643 C SER A 39 2.222 -8.780 1.171 1.00 0.00 C ATOM 644 O SER A 39 1.113 -8.276 1.339 1.00 0.00 O ATOM 645 CB SER A 39 2.973 -11.062 1.902 1.00 0.00 C ATOM 646 OG SER A 39 2.020 -11.855 2.604 1.00 0.00 O ATOM 0 H SER A 39 1.705 -10.257 3.883 1.00 0.00 H new ATOM 0 HA SER A 39 3.902 -9.215 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.811 -11.166 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.977 -11.433 2.110 1.00 0.00 H new ATOM 0 HG SER A 39 2.106 -12.791 2.327 1.00 0.00 H new ATOM 652 N ASP A 40 2.928 -8.685 0.053 1.00 0.00 N ATOM 653 CA ASP A 40 2.420 -7.951 -1.093 1.00 0.00 C ATOM 654 C ASP A 40 0.938 -8.280 -1.288 1.00 0.00 C ATOM 655 O ASP A 40 0.162 -7.430 -1.722 1.00 0.00 O ATOM 656 CB ASP A 40 3.163 -8.343 -2.371 1.00 0.00 C ATOM 657 CG ASP A 40 3.478 -9.834 -2.505 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.181 -10.348 -1.608 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.010 -10.426 -3.501 1.00 0.00 O ATOM 0 H ASP A 40 3.848 -9.104 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 40 2.565 -6.887 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.566 -8.035 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.098 -7.784 -2.416 1.00 0.00 H new ATOM 664 N GLN A 41 0.590 -9.515 -0.957 1.00 0.00 N ATOM 665 CA GLN A 41 -0.784 -9.966 -1.090 1.00 0.00 C ATOM 666 C GLN A 41 -1.695 -9.182 -0.143 1.00 0.00 C ATOM 667 O GLN A 41 -2.757 -8.711 -0.546 1.00 0.00 O ATOM 668 CB GLN A 41 -0.895 -11.471 -0.836 1.00 0.00 C ATOM 669 CG GLN A 41 -2.012 -11.778 0.163 1.00 0.00 C ATOM 670 CD GLN A 41 -3.382 -11.428 -0.423 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.554 -11.281 -1.622 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.344 -11.305 0.487 1.00 0.00 N ATOM 0 H GLN A 41 1.236 -10.217 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.109 -9.779 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.090 -11.988 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.053 -11.850 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.986 -12.834 0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.850 -11.213 1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.132 -11.441 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.294 -11.074 0.197 1.00 0.00 H new ATOM 681 N GLU A 42 -1.245 -9.066 1.098 1.00 0.00 N ATOM 682 CA GLU A 42 -2.006 -8.347 2.106 1.00 0.00 C ATOM 683 C GLU A 42 -2.118 -6.868 1.731 1.00 0.00 C ATOM 684 O GLU A 42 -3.197 -6.393 1.381 1.00 0.00 O ATOM 685 CB GLU A 42 -1.378 -8.516 3.491 1.00 0.00 C ATOM 686 CG GLU A 42 -2.317 -8.004 4.585 1.00 0.00 C ATOM 687 CD GLU A 42 -3.781 -8.235 4.203 1.00 0.00 C ATOM 688 OE1 GLU A 42 -4.115 -9.405 3.919 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.532 -7.236 4.204 1.00 0.00 O ATOM 0 H GLU A 42 -0.363 -9.458 1.428 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.010 -8.769 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.150 -9.568 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.433 -7.974 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.098 -8.512 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.144 -6.941 4.750 1.00 0.00 H new ATOM 696 N ILE A 43 -0.989 -6.181 1.817 1.00 0.00 N ATOM 697 CA ILE A 43 -0.947 -4.766 1.492 1.00 0.00 C ATOM 698 C ILE A 43 -1.789 -4.510 0.240 1.00 0.00 C ATOM 699 O ILE A 43 -2.577 -3.567 0.200 1.00 0.00 O ATOM 700 CB ILE A 43 0.501 -4.287 1.367 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.939 -3.531 2.623 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.696 -3.453 0.099 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.061 -4.276 3.349 1.00 0.00 C ATOM 0 H ILE A 43 -0.096 -6.578 2.107 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.385 -4.177 2.298 1.00 0.00 H new ATOM 0 HB ILE A 43 1.143 -5.163 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.278 -2.532 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.088 -3.407 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.734 -3.125 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.452 -4.057 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.042 -2.582 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.353 -3.717 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.711 -5.266 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.920 -4.377 2.685 1.00 0.00 H new ATOM 715 N ALA A 44 -1.592 -5.366 -0.752 1.00 0.00 N ATOM 716 CA ALA A 44 -2.324 -5.245 -2.001 1.00 0.00 C ATOM 717 C ALA A 44 -3.826 -5.288 -1.714 1.00 0.00 C ATOM 718 O ALA A 44 -4.590 -4.494 -2.262 1.00 0.00 O ATOM 719 CB ALA A 44 -1.881 -6.351 -2.962 1.00 0.00 C ATOM 0 H ALA A 44 -0.936 -6.146 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.108 -4.291 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.430 -6.260 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.813 -6.257 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.084 -7.324 -2.515 1.00 0.00 H new ATOM 725 N ASN A 45 -4.205 -6.224 -0.856 1.00 0.00 N ATOM 726 CA ASN A 45 -5.603 -6.381 -0.490 1.00 0.00 C ATOM 727 C ASN A 45 -6.054 -5.163 0.319 1.00 0.00 C ATOM 728 O ASN A 45 -7.192 -4.715 0.190 1.00 0.00 O ATOM 729 CB ASN A 45 -5.808 -7.626 0.376 1.00 0.00 C ATOM 730 CG ASN A 45 -6.100 -8.853 -0.489 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.225 -9.310 -0.605 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.026 -9.361 -1.087 1.00 0.00 N ATOM 0 H ASN A 45 -3.569 -6.881 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.183 -6.479 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.917 -7.805 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.633 -7.460 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.116 -10.182 -1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.112 -8.929 -0.947 1.00 0.00 H new ATOM 739 N ILE A 46 -5.138 -4.662 1.134 1.00 0.00 N ATOM 740 CA ILE A 46 -5.427 -3.504 1.963 1.00 0.00 C ATOM 741 C ILE A 46 -5.852 -2.336 1.071 1.00 0.00 C ATOM 742 O ILE A 46 -6.823 -1.643 1.370 1.00 0.00 O ATOM 743 CB ILE A 46 -4.237 -3.183 2.870 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.164 -4.161 4.045 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.281 -1.727 3.338 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.058 -3.761 5.023 1.00 0.00 C ATOM 0 H ILE A 46 -4.195 -5.037 1.238 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.261 -3.715 2.632 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.322 -3.307 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.122 -4.184 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.979 -5.169 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.424 -1.525 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.249 -1.065 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.202 -1.551 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.028 -4.472 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.098 -3.763 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.259 -2.763 5.411 1.00 0.00 H new ATOM 758 N LEU A 47 -5.105 -2.154 -0.008 1.00 0.00 N ATOM 759 CA LEU A 47 -5.392 -1.083 -0.945 1.00 0.00 C ATOM 760 C LEU A 47 -6.863 -1.154 -1.360 1.00 0.00 C ATOM 761 O LEU A 47 -7.499 -0.126 -1.584 1.00 0.00 O ATOM 762 CB LEU A 47 -4.418 -1.127 -2.124 1.00 0.00 C ATOM 763 CG LEU A 47 -4.878 -1.926 -3.345 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.612 -1.029 -4.343 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.704 -2.663 -3.993 1.00 0.00 C ATOM 0 H LEU A 47 -4.301 -2.731 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.240 -0.113 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.215 -0.104 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.474 -1.546 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.587 -2.683 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.928 -1.622 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.487 -0.590 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.945 -0.234 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.059 -3.223 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.952 -1.941 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.263 -3.351 -3.271 1.00 0.00 H new ATOM 777 N LYS A 48 -7.360 -2.379 -1.451 1.00 0.00 N ATOM 778 CA LYS A 48 -8.744 -2.599 -1.834 1.00 0.00 C ATOM 779 C LYS A 48 -9.662 -1.837 -0.876 1.00 0.00 C ATOM 780 O LYS A 48 -10.763 -1.437 -1.251 1.00 0.00 O ATOM 781 CB LYS A 48 -9.047 -4.096 -1.915 1.00 0.00 C ATOM 782 CG LYS A 48 -10.359 -4.351 -2.660 1.00 0.00 C ATOM 783 CD LYS A 48 -11.095 -5.559 -2.076 1.00 0.00 C ATOM 784 CE LYS A 48 -12.300 -5.936 -2.939 1.00 0.00 C ATOM 785 NZ LYS A 48 -13.420 -4.997 -2.705 1.00 0.00 N ATOM 0 H LYS A 48 -6.828 -3.230 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.929 -2.206 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.231 -4.609 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.109 -4.513 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.995 -3.468 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.154 -4.521 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.413 -6.407 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.426 -5.333 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.019 -5.921 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.616 -6.953 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.230 -5.268 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.698 -5.031 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.120 -4.031 -2.948 1.00 0.00 H new ATOM 799 N GLU A 49 -9.174 -1.658 0.343 1.00 0.00 N ATOM 800 CA GLU A 49 -9.936 -0.951 1.358 1.00 0.00 C ATOM 801 C GLU A 49 -10.656 0.250 0.740 1.00 0.00 C ATOM 802 O GLU A 49 -11.735 0.631 1.193 1.00 0.00 O ATOM 803 CB GLU A 49 -9.036 -0.514 2.515 1.00 0.00 C ATOM 804 CG GLU A 49 -8.657 -1.707 3.395 1.00 0.00 C ATOM 805 CD GLU A 49 -9.203 -1.537 4.814 1.00 0.00 C ATOM 806 OE1 GLU A 49 -8.653 -0.676 5.535 1.00 0.00 O ATOM 807 OE2 GLU A 49 -10.159 -2.271 5.146 1.00 0.00 O ATOM 0 H GLU A 49 -8.260 -1.991 0.650 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.685 -1.632 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.133 -0.046 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.549 0.237 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.050 -2.625 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.572 -1.809 3.429 1.00 0.00 H new ATOM 885 N VAL A 54 -2.501 1.405 -5.704 1.00 0.00 N ATOM 886 CA VAL A 54 -1.530 0.325 -5.732 1.00 0.00 C ATOM 887 C VAL A 54 -2.005 -0.757 -6.704 1.00 0.00 C ATOM 888 O VAL A 54 -2.787 -0.480 -7.613 1.00 0.00 O ATOM 889 CB VAL A 54 -1.296 -0.205 -4.316 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.140 -0.706 -4.149 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.631 0.859 -3.269 1.00 0.00 C ATOM 0 HA VAL A 54 -0.567 0.686 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.966 -1.050 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.280 -1.077 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.329 -1.511 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.835 0.113 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.456 0.456 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.998 1.733 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.678 1.147 -3.365 1.00 0.00 H new ATOM 901 N ALA A 55 -1.513 -1.966 -6.480 1.00 0.00 N ATOM 902 CA ALA A 55 -1.877 -3.090 -7.326 1.00 0.00 C ATOM 903 C ALA A 55 -0.832 -4.197 -7.173 1.00 0.00 C ATOM 904 O ALA A 55 0.339 -3.919 -6.916 1.00 0.00 O ATOM 905 CB ALA A 55 -2.017 -2.616 -8.774 1.00 0.00 C ATOM 0 H ALA A 55 -0.865 -2.192 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.840 -3.501 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.290 -3.459 -9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.792 -1.852 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.069 -2.199 -9.114 1.00 0.00 H new ATOM 911 N ARG A 56 -1.292 -5.429 -7.339 1.00 0.00 N ATOM 912 CA ARG A 56 -0.411 -6.578 -7.223 1.00 0.00 C ATOM 913 C ARG A 56 0.944 -6.276 -7.867 1.00 0.00 C ATOM 914 O ARG A 56 1.988 -6.483 -7.251 1.00 0.00 O ATOM 915 CB ARG A 56 -1.023 -7.811 -7.892 1.00 0.00 C ATOM 916 CG ARG A 56 -2.271 -8.279 -7.142 1.00 0.00 C ATOM 917 CD ARG A 56 -2.900 -9.494 -7.828 1.00 0.00 C ATOM 918 NE ARG A 56 -2.051 -10.688 -7.619 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.024 -11.027 -8.412 1.00 0.00 C ATOM 920 NH1 ARG A 56 -0.714 -10.266 -9.469 1.00 0.00 N ATOM 921 NH2 ARG A 56 -0.309 -12.129 -8.146 1.00 0.00 N ATOM 0 H ARG A 56 -2.263 -5.656 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.274 -6.785 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.281 -7.578 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.288 -8.616 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.009 -8.532 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.997 -7.467 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.898 -9.672 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.015 -9.301 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.260 -11.290 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.259 -9.428 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.067 -10.524 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.546 -12.709 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.472 -12.388 -8.748 1.00 0.00 H new ATOM 935 N ARG A 57 0.883 -5.791 -9.098 1.00 0.00 N ATOM 936 CA ARG A 57 2.092 -5.459 -9.833 1.00 0.00 C ATOM 937 C ARG A 57 2.870 -4.361 -9.104 1.00 0.00 C ATOM 938 O ARG A 57 4.099 -4.382 -9.076 1.00 0.00 O ATOM 939 CB ARG A 57 1.763 -4.987 -11.250 1.00 0.00 C ATOM 940 CG ARG A 57 0.744 -3.846 -11.225 1.00 0.00 C ATOM 941 CD ARG A 57 -0.622 -4.319 -11.727 1.00 0.00 C ATOM 942 NE ARG A 57 -0.577 -4.535 -13.191 1.00 0.00 N ATOM 943 CZ ARG A 57 -0.422 -5.734 -13.768 1.00 0.00 C ATOM 944 NH1 ARG A 57 -0.298 -6.832 -13.010 1.00 0.00 N ATOM 945 NH2 ARG A 57 -0.393 -5.835 -15.104 1.00 0.00 N ATOM 0 H ARG A 57 0.015 -5.620 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 57 2.701 -6.361 -9.896 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.674 -4.655 -11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.368 -5.820 -11.832 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.649 -3.461 -10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.099 -3.023 -11.846 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.903 -5.244 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.384 -3.579 -11.484 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.670 -3.720 -13.798 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.322 -6.755 -11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.180 -7.745 -13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.489 -4.999 -15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.275 -6.748 -15.544 1.00 0.00 H new ATOM 959 N THR A 58 2.121 -3.428 -8.534 1.00 0.00 N ATOM 960 CA THR A 58 2.726 -2.324 -7.808 1.00 0.00 C ATOM 961 C THR A 58 3.314 -2.816 -6.484 1.00 0.00 C ATOM 962 O THR A 58 4.482 -2.567 -6.189 1.00 0.00 O ATOM 963 CB THR A 58 1.665 -1.236 -7.635 1.00 0.00 C ATOM 964 OG1 THR A 58 1.651 -0.562 -8.890 1.00 0.00 O ATOM 965 CG2 THR A 58 2.091 -0.156 -6.637 1.00 0.00 C ATOM 0 H THR A 58 1.101 -3.414 -8.560 1.00 0.00 H new ATOM 0 HA THR A 58 3.563 -1.897 -8.360 1.00 0.00 H new ATOM 0 HB THR A 58 0.731 -1.689 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.988 0.159 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.302 0.592 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.267 -0.611 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.007 0.321 -6.986 1.00 0.00 H new ATOM 973 N VAL A 59 2.478 -3.504 -5.721 1.00 0.00 N ATOM 974 CA VAL A 59 2.901 -4.032 -4.435 1.00 0.00 C ATOM 975 C VAL A 59 4.157 -4.885 -4.627 1.00 0.00 C ATOM 976 O VAL A 59 5.054 -4.873 -3.785 1.00 0.00 O ATOM 977 CB VAL A 59 1.751 -4.801 -3.781 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.942 -4.889 -2.266 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.402 -4.169 -4.128 1.00 0.00 C ATOM 0 H VAL A 59 1.510 -3.708 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 59 3.160 -3.220 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 59 1.758 -5.816 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.111 -5.440 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.877 -5.405 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.975 -3.884 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.398 -4.735 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.380 -3.139 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.261 -4.182 -5.209 1.00 0.00 H new ATOM 989 N ALA A 60 4.181 -5.604 -5.739 1.00 0.00 N ATOM 990 CA ALA A 60 5.313 -6.460 -6.052 1.00 0.00 C ATOM 991 C ALA A 60 6.592 -5.621 -6.075 1.00 0.00 C ATOM 992 O ALA A 60 7.616 -6.029 -5.531 1.00 0.00 O ATOM 993 CB ALA A 60 5.060 -7.174 -7.382 1.00 0.00 C ATOM 0 H ALA A 60 3.435 -5.612 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 60 5.437 -7.227 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.909 -7.816 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.157 -7.780 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.934 -6.435 -8.173 1.00 0.00 H new ATOM 999 N LYS A 61 6.490 -4.463 -6.711 1.00 0.00 N ATOM 1000 CA LYS A 61 7.625 -3.562 -6.812 1.00 0.00 C ATOM 1001 C LYS A 61 8.012 -3.076 -5.413 1.00 0.00 C ATOM 1002 O LYS A 61 9.192 -3.046 -5.067 1.00 0.00 O ATOM 1003 CB LYS A 61 7.325 -2.429 -7.795 1.00 0.00 C ATOM 1004 CG LYS A 61 8.510 -2.188 -8.733 1.00 0.00 C ATOM 1005 CD LYS A 61 8.031 -1.831 -10.141 1.00 0.00 C ATOM 1006 CE LYS A 61 7.517 -0.391 -10.198 1.00 0.00 C ATOM 1007 NZ LYS A 61 7.721 0.179 -11.548 1.00 0.00 N ATOM 0 H LYS A 61 5.638 -4.128 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 61 8.490 -4.085 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.438 -2.675 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.101 -1.515 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.131 -1.382 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.134 -3.081 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.849 -1.957 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.239 -2.516 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.458 -0.366 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.037 0.217 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.367 1.157 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.735 0.173 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.205 -0.392 -12.247 1.00 0.00 H new ATOM 1021 N TYR A 62 6.995 -2.708 -4.648 1.00 0.00 N ATOM 1022 CA TYR A 62 7.214 -2.226 -3.295 1.00 0.00 C ATOM 1023 C TYR A 62 7.738 -3.344 -2.392 1.00 0.00 C ATOM 1024 O TYR A 62 8.620 -3.117 -1.565 1.00 0.00 O ATOM 1025 CB TYR A 62 5.845 -1.772 -2.783 1.00 0.00 C ATOM 1026 CG TYR A 62 5.435 -0.376 -3.256 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.336 -0.106 -4.605 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.166 0.614 -2.332 1.00 0.00 C ATOM 1029 CE1 TYR A 62 4.950 1.208 -5.050 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.780 1.928 -2.777 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.692 2.161 -4.114 1.00 0.00 C ATOM 1032 OH TYR A 62 4.327 3.402 -4.535 1.00 0.00 O ATOM 0 H TYR A 62 6.018 -2.734 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 62 7.951 -1.423 -3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.091 -2.490 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.853 -1.787 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.548 -0.880 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.245 0.403 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.867 1.432 -6.103 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.565 2.711 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 62 3.852 3.331 -5.389 1.00 0.00 H new ATOM 1042 N ARG A 63 7.171 -4.527 -2.580 1.00 0.00 N ATOM 1043 CA ARG A 63 7.571 -5.681 -1.792 1.00 0.00 C ATOM 1044 C ARG A 63 9.094 -5.731 -1.657 1.00 0.00 C ATOM 1045 O ARG A 63 9.616 -6.011 -0.579 1.00 0.00 O ATOM 1046 CB ARG A 63 7.080 -6.981 -2.432 1.00 0.00 C ATOM 1047 CG ARG A 63 6.904 -8.078 -1.381 1.00 0.00 C ATOM 1048 CD ARG A 63 8.238 -8.760 -1.072 1.00 0.00 C ATOM 1049 NE ARG A 63 8.002 -10.031 -0.351 1.00 0.00 N ATOM 1050 CZ ARG A 63 7.428 -11.111 -0.899 1.00 0.00 C ATOM 1051 NH1 ARG A 63 7.029 -11.081 -2.177 1.00 0.00 N ATOM 1052 NH2 ARG A 63 7.254 -12.221 -0.168 1.00 0.00 N ATOM 0 H ARG A 63 6.439 -4.711 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 63 7.119 -5.581 -0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.132 -6.805 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.792 -7.309 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.491 -7.649 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.188 -8.818 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.780 -8.953 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.862 -8.101 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 63 8.295 -10.089 0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.162 -10.236 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.592 -11.903 -2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.558 -12.244 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.817 -13.043 -0.585 1.00 0.00 H new ATOM 1066 N GLU A 64 9.764 -5.454 -2.766 1.00 0.00 N ATOM 1067 CA GLU A 64 11.216 -5.463 -2.785 1.00 0.00 C ATOM 1068 C GLU A 64 11.765 -4.259 -2.017 1.00 0.00 C ATOM 1069 O GLU A 64 12.823 -4.345 -1.396 1.00 0.00 O ATOM 1070 CB GLU A 64 11.746 -5.486 -4.221 1.00 0.00 C ATOM 1071 CG GLU A 64 13.257 -5.723 -4.244 1.00 0.00 C ATOM 1072 CD GLU A 64 13.968 -4.652 -5.074 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.955 -3.485 -4.625 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.508 -5.024 -6.138 1.00 0.00 O ATOM 0 H GLU A 64 9.327 -5.222 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 64 11.560 -6.372 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.243 -6.271 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.515 -4.541 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.645 -5.716 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.468 -6.709 -4.659 1.00 0.00 H new ATOM 1081 N MET A 65 11.020 -3.165 -2.084 1.00 0.00 N ATOM 1082 CA MET A 65 11.419 -1.946 -1.403 1.00 0.00 C ATOM 1083 C MET A 65 11.355 -2.120 0.116 1.00 0.00 C ATOM 1084 O MET A 65 12.105 -1.478 0.850 1.00 0.00 O ATOM 1085 CB MET A 65 10.497 -0.800 -1.825 1.00 0.00 C ATOM 1086 CG MET A 65 11.127 0.026 -2.948 1.00 0.00 C ATOM 1087 SD MET A 65 10.921 -0.811 -4.511 1.00 0.00 S ATOM 1088 CE MET A 65 9.418 -0.036 -5.081 1.00 0.00 C ATOM 0 H MET A 65 10.142 -3.098 -2.600 1.00 0.00 H new ATOM 0 HA MET A 65 12.448 -1.717 -1.681 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.540 -1.202 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.293 -0.159 -0.968 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.663 1.011 -2.990 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.187 0.181 -2.746 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.952 -0.662 -5.843 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.732 0.087 -4.243 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.651 0.940 -5.506 1.00 0.00 H new ATOM 1098 N LEU A 66 10.453 -2.992 0.542 1.00 0.00 N ATOM 1099 CA LEU A 66 10.281 -3.259 1.960 1.00 0.00 C ATOM 1100 C LEU A 66 9.774 -4.690 2.147 1.00 0.00 C ATOM 1101 O LEU A 66 10.365 -5.470 2.892 1.00 0.00 O ATOM 1102 CB LEU A 66 9.382 -2.199 2.599 1.00 0.00 C ATOM 1103 CG LEU A 66 7.908 -2.234 2.190 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.061 -1.357 3.114 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.738 -1.849 0.719 1.00 0.00 C ATOM 0 H LEU A 66 9.833 -3.523 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 66 11.236 -3.189 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.441 -2.307 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.783 -1.216 2.354 1.00 0.00 H new ATOM 0 HG LEU A 66 7.548 -3.257 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.018 -1.400 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.148 -1.718 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.413 -0.327 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.681 -1.882 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.121 -0.841 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.291 -2.550 0.093 1.00 0.00 H new