USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 523 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 25 HIS : no HD1:sc= -8.87! K(o=-14!,f=-15) USER MOD Set 1.2: A 57 CYS SG : rot 61:sc= -1.57 USER MOD Set 1.3: A 60 CYS SG : rot -41:sc= -1.37 USER MOD Set 1.4: A 79 CYS SG : rot 98:sc= -2.3 USER MOD Set 2.1: A 38 CYS SG : rot -140:sc= -1.68 USER MOD Set 2.2: A 41 CYS SG : rot -170:sc= -1.02 USER MOD Set 2.3: A 64 CYS SG : rot 28:sc= 0.636 USER MOD Set 2.4: A 65 HIS :FLIP no HD1:sc= -4.89! C(o=-18!,f=-12!) USER MOD Set 2.5: A 68 HIS : no HE2:sc= -5.41! C(o=-12!,f=-17!) USER MOD Set 3.1: A 22 HIS :FLIP no HD1:sc= -1.26 F(o=-6.6,f=-5.3) USER MOD Set 3.2: A 69 MET CE :methyl -146:sc= -4.01! (180deg=-1.22) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= 0.369 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 32 TYR OH : rot 65:sc= -1.73 USER MOD Single : A 33 HIS : no HE2:sc= -2 X(o=-2,f=-2.3!) USER MOD Single : A 36 THR OG1 : rot 169:sc= 0.539 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.665 X(o=-0.66,f=-0.43) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.049) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.278) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.026 -2.757 8.366 1.00 0.00 N ATOM 268 CA ASN A 18 6.061 -3.571 9.096 1.00 0.00 C ATOM 269 C ASN A 18 4.870 -3.919 8.210 1.00 0.00 C ATOM 270 O ASN A 18 4.765 -3.445 7.080 1.00 0.00 O ATOM 271 CB ASN A 18 5.587 -2.834 10.351 1.00 0.00 C ATOM 272 CG ASN A 18 6.117 -3.464 11.624 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.730 -4.573 11.990 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.009 -2.756 12.308 1.00 0.00 N ATOM 0 HA ASN A 18 6.551 -4.498 9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.909 -1.794 10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.497 -2.830 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.401 -3.128 13.173 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.302 -1.840 11.968 1.00 0.00 H new ATOM 281 N TYR A 19 3.974 -4.752 8.728 1.00 0.00 N ATOM 282 CA TYR A 19 2.792 -5.160 7.975 1.00 0.00 C ATOM 283 C TYR A 19 1.525 -4.974 8.803 1.00 0.00 C ATOM 284 O TYR A 19 1.362 -5.590 9.857 1.00 0.00 O ATOM 285 CB TYR A 19 2.907 -6.622 7.522 1.00 0.00 C ATOM 286 CG TYR A 19 4.295 -7.211 7.670 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.387 -6.631 7.038 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.510 -8.344 8.444 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.655 -7.165 7.172 1.00 0.00 C ATOM 290 CE2 TYR A 19 5.774 -8.884 8.583 1.00 0.00 C ATOM 291 CZ TYR A 19 6.843 -8.291 7.945 1.00 0.00 C ATOM 292 OH TYR A 19 8.103 -8.825 8.081 1.00 0.00 O ATOM 0 H TYR A 19 4.042 -5.157 9.662 1.00 0.00 H new ATOM 0 HA TYR A 19 2.730 -4.523 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.205 -7.225 8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.604 -6.692 6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.243 -5.749 6.432 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.675 -8.811 8.946 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.494 -6.702 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.924 -9.766 9.188 1.00 0.00 H new ATOM 0 HH TYR A 19 8.063 -9.615 8.659 1.00 0.00 H new ATOM 302 N ILE A 20 0.631 -4.124 8.315 1.00 0.00 N ATOM 303 CA ILE A 20 -0.626 -3.853 8.997 1.00 0.00 C ATOM 304 C ILE A 20 -1.607 -5.006 8.810 1.00 0.00 C ATOM 305 O ILE A 20 -2.126 -5.223 7.714 1.00 0.00 O ATOM 306 CB ILE A 20 -1.267 -2.546 8.479 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.406 -1.342 8.869 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.684 -2.385 9.014 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.526 -0.883 7.769 1.00 0.00 C ATOM 0 H ILE A 20 0.755 -3.608 7.444 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.403 -3.743 10.058 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.321 -2.600 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.058 -0.515 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.183 -1.597 9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.113 -1.457 8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.294 -3.227 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.660 -2.355 10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.105 -0.027 8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.203 -1.695 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.057 -0.596 6.894 1.00 0.00 H new ATOM 321 N CYS A 21 -1.861 -5.739 9.890 1.00 0.00 N ATOM 322 CA CYS A 21 -2.785 -6.865 9.849 1.00 0.00 C ATOM 323 C CYS A 21 -4.228 -6.374 9.881 1.00 0.00 C ATOM 324 O CYS A 21 -4.580 -5.506 10.682 1.00 0.00 O ATOM 325 CB CYS A 21 -2.528 -7.807 11.027 1.00 0.00 C ATOM 326 SG CYS A 21 -2.758 -9.557 10.637 1.00 0.00 S ATOM 0 H CYS A 21 -1.439 -5.573 10.804 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.621 -7.409 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.509 -7.656 11.383 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.195 -7.538 11.846 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.516 -10.273 11.695 1.00 0.00 H new ATOM 332 N HIS A 22 -5.058 -6.925 9.004 1.00 0.00 N ATOM 333 CA HIS A 22 -6.459 -6.533 8.933 1.00 0.00 C ATOM 334 C HIS A 22 -7.273 -7.534 8.117 1.00 0.00 C ATOM 335 O HIS A 22 -7.140 -7.601 6.898 1.00 0.00 O ATOM 336 CB HIS A 22 -6.585 -5.138 8.317 1.00 0.00 C ATOM 337 CG HIS A 22 -7.979 -4.592 8.351 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.933 -4.543 7.391 1.00 0.00 N flip ATOM 339 CD2 HIS A 22 -8.533 -4.007 9.469 1.00 0.00 C flip ATOM 340 CE1 HIS A 22 -10.034 -3.936 7.944 1.00 0.00 C flip ATOM 341 NE2 HIS A 22 -9.768 -3.622 9.198 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.785 -7.643 8.333 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.855 -6.518 9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.923 -4.454 8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.243 -5.174 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.035 -3.882 10.419 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.967 -3.746 7.435 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.406 -3.161 9.847 1.00 0.00 H new ATOM 350 N LYS A 23 -8.123 -8.296 8.805 1.00 0.00 N ATOM 351 CA LYS A 23 -8.989 -9.297 8.169 1.00 0.00 C ATOM 352 C LYS A 23 -8.373 -9.895 6.904 1.00 0.00 C ATOM 353 O LYS A 23 -8.727 -9.513 5.790 1.00 0.00 O ATOM 354 CB LYS A 23 -10.349 -8.680 7.833 1.00 0.00 C ATOM 355 CG LYS A 23 -10.269 -7.228 7.393 1.00 0.00 C ATOM 356 CD LYS A 23 -11.359 -6.887 6.393 1.00 0.00 C ATOM 357 CE LYS A 23 -12.745 -7.106 6.976 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.679 -6.004 6.615 1.00 0.00 N ATOM 0 H LYS A 23 -8.233 -8.239 9.817 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.111 -10.108 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.818 -9.265 7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.996 -8.750 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.357 -6.578 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.293 -7.035 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.255 -5.848 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.239 -7.501 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.145 -8.054 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.675 -7.182 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.921 -5.461 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.224 -5.376 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.545 -6.405 6.202 1.00 0.00 H new ATOM 372 N GLY A 24 -7.465 -10.846 7.084 1.00 0.00 N ATOM 373 CA GLY A 24 -6.831 -11.493 5.945 1.00 0.00 C ATOM 374 C GLY A 24 -5.996 -10.552 5.100 1.00 0.00 C ATOM 375 O GLY A 24 -5.574 -10.917 4.003 1.00 0.00 O ATOM 0 H GLY A 24 -7.155 -11.182 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.198 -12.304 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.601 -11.944 5.319 1.00 0.00 H new ATOM 379 N HIS A 25 -5.753 -9.340 5.594 1.00 0.00 N ATOM 380 CA HIS A 25 -4.962 -8.371 4.846 1.00 0.00 C ATOM 381 C HIS A 25 -3.754 -7.892 5.639 1.00 0.00 C ATOM 382 O HIS A 25 -3.862 -7.544 6.815 1.00 0.00 O ATOM 383 CB HIS A 25 -5.830 -7.178 4.421 1.00 0.00 C ATOM 384 CG HIS A 25 -5.939 -7.051 2.939 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.889 -6.298 2.278 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.195 -7.639 1.981 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.687 -6.461 0.959 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.669 -7.271 0.740 1.00 0.00 N ATOM 0 H HIS A 25 -6.089 -9.010 6.499 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.591 -8.874 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.827 -7.288 4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.407 -6.261 4.831 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.357 -8.297 2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.277 -5.993 0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.305 -7.566 -0.166 1.00 0.00 H new ATOM 396 N GLU A 26 -2.598 -7.872 4.978 1.00 0.00 N ATOM 397 CA GLU A 26 -1.360 -7.429 5.606 1.00 0.00 C ATOM 398 C GLU A 26 -0.766 -6.257 4.834 1.00 0.00 C ATOM 399 O GLU A 26 0.246 -6.398 4.147 1.00 0.00 O ATOM 400 CB GLU A 26 -0.355 -8.580 5.672 1.00 0.00 C ATOM 401 CG GLU A 26 -0.415 -9.367 6.971 1.00 0.00 C ATOM 402 CD GLU A 26 0.924 -9.969 7.351 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.762 -10.170 6.447 1.00 0.00 O ATOM 404 OE2 GLU A 26 1.134 -10.238 8.553 1.00 0.00 O ATOM 0 H GLU A 26 -2.496 -8.159 4.005 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.584 -7.103 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.536 -9.258 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.651 -8.180 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.755 -8.712 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.153 -10.163 6.875 1.00 0.00 H new ATOM 411 N PHE A 27 -1.408 -5.100 4.948 1.00 0.00 N ATOM 412 CA PHE A 27 -0.953 -3.898 4.258 1.00 0.00 C ATOM 413 C PHE A 27 0.453 -3.518 4.694 1.00 0.00 C ATOM 414 O PHE A 27 0.929 -3.951 5.740 1.00 0.00 O ATOM 415 CB PHE A 27 -1.912 -2.730 4.502 1.00 0.00 C ATOM 416 CG PHE A 27 -3.363 -3.122 4.502 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.975 -3.558 3.337 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.115 -3.052 5.663 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.309 -3.917 3.332 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.449 -3.409 5.664 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.048 -3.843 4.497 1.00 0.00 C ATOM 0 H PHE A 27 -2.247 -4.968 5.513 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.937 -4.117 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.671 -2.269 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.750 -1.974 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.403 -3.618 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.652 -2.714 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.774 -4.255 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.024 -3.349 6.576 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.091 -4.124 4.495 1.00 0.00 H new ATOM 431 N ILE A 28 1.119 -2.718 3.874 1.00 0.00 N ATOM 432 CA ILE A 28 2.479 -2.288 4.165 1.00 0.00 C ATOM 433 C ILE A 28 2.618 -0.776 4.033 1.00 0.00 C ATOM 434 O ILE A 28 2.183 -0.190 3.042 1.00 0.00 O ATOM 435 CB ILE A 28 3.490 -2.963 3.221 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.118 -4.437 3.002 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.903 -2.829 3.773 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.513 -5.347 4.147 1.00 0.00 C ATOM 0 H ILE A 28 0.739 -2.353 3.001 1.00 0.00 H new ATOM 0 HA ILE A 28 2.692 -2.583 5.193 1.00 0.00 H new ATOM 0 HB ILE A 28 3.457 -2.460 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.042 -4.511 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.596 -4.790 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.606 -3.311 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.157 -1.773 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.958 -3.306 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.217 -6.370 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.593 -5.305 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.014 -5.021 5.060 1.00 0.00 H new ATOM 450 N PRO A 29 3.229 -0.124 5.033 1.00 0.00 N ATOM 451 CA PRO A 29 3.423 1.327 5.021 1.00 0.00 C ATOM 452 C PRO A 29 4.427 1.769 3.970 1.00 0.00 C ATOM 453 O PRO A 29 5.613 1.453 4.056 1.00 0.00 O ATOM 454 CB PRO A 29 3.953 1.627 6.422 1.00 0.00 C ATOM 455 CG PRO A 29 4.584 0.357 6.875 1.00 0.00 C ATOM 456 CD PRO A 29 3.782 -0.746 6.249 1.00 0.00 C ATOM 0 HA PRO A 29 2.503 1.857 4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.676 2.443 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.148 1.929 7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.627 0.306 6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.572 0.281 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.404 -1.609 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.993 -1.096 6.915 1.00 0.00 H new ATOM 464 N THR A 30 3.944 2.503 2.977 1.00 0.00 N ATOM 465 CA THR A 30 4.802 2.990 1.908 1.00 0.00 C ATOM 466 C THR A 30 4.216 4.246 1.268 1.00 0.00 C ATOM 467 O THR A 30 3.048 4.574 1.476 1.00 0.00 O ATOM 468 CB THR A 30 4.994 1.905 0.848 1.00 0.00 C ATOM 469 OG1 THR A 30 5.906 2.332 -0.148 1.00 0.00 O ATOM 470 CG2 THR A 30 3.706 1.514 0.156 1.00 0.00 C ATOM 0 H THR A 30 2.964 2.773 2.890 1.00 0.00 H new ATOM 0 HA THR A 30 5.771 3.243 2.339 1.00 0.00 H new ATOM 0 HB THR A 30 5.377 1.038 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.017 1.623 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.911 0.741 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.998 1.133 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.280 2.386 -0.339 1.00 0.00 H new ATOM 478 N LEU A 31 5.034 4.942 0.483 1.00 0.00 N ATOM 479 CA LEU A 31 4.595 6.157 -0.191 1.00 0.00 C ATOM 480 C LEU A 31 4.514 5.935 -1.699 1.00 0.00 C ATOM 481 O LEU A 31 5.143 5.023 -2.236 1.00 0.00 O ATOM 482 CB LEU A 31 5.553 7.310 0.118 1.00 0.00 C ATOM 483 CG LEU A 31 5.625 7.710 1.592 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.525 8.924 1.773 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.233 7.991 2.137 1.00 0.00 C ATOM 0 H LEU A 31 6.004 4.684 0.299 1.00 0.00 H new ATOM 0 HA LEU A 31 3.602 6.414 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.552 7.033 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.251 8.180 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 31 6.053 6.879 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.564 9.194 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.529 8.688 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.127 9.761 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.304 8.274 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.778 8.804 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.618 7.096 2.043 1.00 0.00 H new ATOM 497 N TYR A 32 3.733 6.771 -2.375 1.00 0.00 N ATOM 498 CA TYR A 32 3.569 6.660 -3.820 1.00 0.00 C ATOM 499 C TYR A 32 3.655 8.028 -4.488 1.00 0.00 C ATOM 500 O TYR A 32 2.779 8.874 -4.310 1.00 0.00 O ATOM 501 CB TYR A 32 2.234 5.992 -4.149 1.00 0.00 C ATOM 502 CG TYR A 32 2.225 4.503 -3.887 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.734 3.611 -4.822 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.715 3.990 -2.701 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.732 2.250 -4.586 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.710 2.630 -2.457 1.00 0.00 C ATOM 507 CZ TYR A 32 2.219 1.764 -3.400 1.00 0.00 C ATOM 508 OH TYR A 32 2.215 0.409 -3.162 1.00 0.00 O ATOM 0 H TYR A 32 3.205 7.531 -1.947 1.00 0.00 H new ATOM 0 HA TYR A 32 4.379 6.043 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.447 6.462 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.996 6.170 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.138 3.988 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.316 4.665 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.129 1.570 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.309 2.247 -1.530 1.00 0.00 H new ATOM 0 HH TYR A 32 3.138 0.085 -3.100 1.00 0.00 H new ATOM 518 N HIS A 33 4.719 8.236 -5.258 1.00 0.00 N ATOM 519 CA HIS A 33 4.924 9.500 -5.956 1.00 0.00 C ATOM 520 C HIS A 33 4.156 9.537 -7.277 1.00 0.00 C ATOM 521 O HIS A 33 3.992 10.599 -7.879 1.00 0.00 O ATOM 522 CB HIS A 33 6.415 9.724 -6.218 1.00 0.00 C ATOM 523 CG HIS A 33 7.217 9.932 -4.971 1.00 0.00 C ATOM 524 ND1 HIS A 33 8.586 10.102 -4.976 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.837 9.998 -3.673 1.00 0.00 C ATOM 526 CE1 HIS A 33 9.013 10.261 -3.736 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.973 10.203 -2.927 1.00 0.00 N ATOM 0 H HIS A 33 5.453 7.545 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 33 4.544 10.298 -5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.814 8.865 -6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.535 10.592 -6.867 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.177 10.105 -5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.830 9.907 -3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.039 10.413 -3.436 1.00 0.00 H new ATOM 536 N PHE A 34 3.684 8.375 -7.723 1.00 0.00 N ATOM 537 CA PHE A 34 2.934 8.286 -8.972 1.00 0.00 C ATOM 538 C PHE A 34 1.449 8.069 -8.698 1.00 0.00 C ATOM 539 O PHE A 34 1.058 7.746 -7.577 1.00 0.00 O ATOM 540 CB PHE A 34 3.475 7.156 -9.852 1.00 0.00 C ATOM 541 CG PHE A 34 3.936 5.951 -9.080 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.205 5.911 -8.528 1.00 0.00 C ATOM 543 CD2 PHE A 34 3.099 4.860 -8.912 1.00 0.00 C ATOM 544 CE1 PHE A 34 5.633 4.805 -7.818 1.00 0.00 C ATOM 545 CE2 PHE A 34 3.520 3.750 -8.203 1.00 0.00 C ATOM 546 CZ PHE A 34 4.790 3.723 -7.656 1.00 0.00 C ATOM 0 H PHE A 34 3.807 7.485 -7.240 1.00 0.00 H new ATOM 0 HA PHE A 34 3.056 9.230 -9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.698 6.851 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.307 7.536 -10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.868 6.754 -8.654 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.107 4.877 -9.339 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.625 4.787 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.858 2.906 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.122 2.857 -7.103 1.00 0.00 H new ATOM 556 N PRO A 35 0.600 8.250 -9.722 1.00 0.00 N ATOM 557 CA PRO A 35 -0.850 8.081 -9.590 1.00 0.00 C ATOM 558 C PRO A 35 -1.245 6.657 -9.210 1.00 0.00 C ATOM 559 O PRO A 35 -1.251 5.759 -10.051 1.00 0.00 O ATOM 560 CB PRO A 35 -1.389 8.427 -10.985 1.00 0.00 C ATOM 561 CG PRO A 35 -0.292 9.188 -11.650 1.00 0.00 C ATOM 562 CD PRO A 35 0.985 8.641 -11.088 1.00 0.00 C ATOM 0 HA PRO A 35 -1.252 8.709 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.639 7.526 -11.545 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.299 9.024 -10.919 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.329 9.061 -12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.381 10.256 -11.451 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.349 7.791 -11.665 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.779 9.388 -11.086 1.00 0.00 H new ATOM 570 N THR A 36 -1.591 6.462 -7.941 1.00 0.00 N ATOM 571 CA THR A 36 -2.005 5.153 -7.452 1.00 0.00 C ATOM 572 C THR A 36 -3.459 5.209 -6.985 1.00 0.00 C ATOM 573 O THR A 36 -3.891 6.196 -6.392 1.00 0.00 O ATOM 574 CB THR A 36 -1.084 4.689 -6.315 1.00 0.00 C ATOM 575 OG1 THR A 36 0.178 4.299 -6.825 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.636 3.519 -5.524 1.00 0.00 C ATOM 0 H THR A 36 -1.593 7.196 -7.232 1.00 0.00 H new ATOM 0 HA THR A 36 -1.928 4.430 -8.264 1.00 0.00 H new ATOM 0 HB THR A 36 -1.000 5.547 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.806 4.174 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.932 3.246 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.589 3.800 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.785 2.668 -6.189 1.00 0.00 H new ATOM 584 N ASN A 37 -4.211 4.151 -7.270 1.00 0.00 N ATOM 585 CA ASN A 37 -5.618 4.094 -6.890 1.00 0.00 C ATOM 586 C ASN A 37 -5.825 3.274 -5.621 1.00 0.00 C ATOM 587 O ASN A 37 -5.153 2.267 -5.401 1.00 0.00 O ATOM 588 CB ASN A 37 -6.449 3.502 -8.032 1.00 0.00 C ATOM 589 CG ASN A 37 -6.959 4.563 -8.987 1.00 0.00 C ATOM 590 OD1 ASN A 37 -8.010 5.163 -8.763 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.214 4.799 -10.061 1.00 0.00 N ATOM 0 H ASN A 37 -3.871 3.324 -7.761 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.948 5.113 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.843 2.782 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.295 2.955 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.506 5.502 -10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.350 4.278 -10.207 1.00 0.00 H new ATOM 598 N CYS A 38 -6.770 3.713 -4.795 1.00 0.00 N ATOM 599 CA CYS A 38 -7.085 3.024 -3.549 1.00 0.00 C ATOM 600 C CYS A 38 -8.218 2.023 -3.775 1.00 0.00 C ATOM 601 O CYS A 38 -9.180 2.310 -4.486 1.00 0.00 O ATOM 602 CB CYS A 38 -7.460 4.047 -2.464 1.00 0.00 C ATOM 603 SG CYS A 38 -8.702 3.480 -1.253 1.00 0.00 S ATOM 0 H CYS A 38 -7.333 4.546 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.208 2.473 -3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.555 4.330 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.836 4.947 -2.951 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.524 4.451 -0.987 1.00 0.00 H new ATOM 608 N GLU A 39 -8.090 0.846 -3.172 1.00 0.00 N ATOM 609 CA GLU A 39 -9.098 -0.200 -3.314 1.00 0.00 C ATOM 610 C GLU A 39 -10.337 0.105 -2.474 1.00 0.00 C ATOM 611 O GLU A 39 -11.461 -0.184 -2.883 1.00 0.00 O ATOM 612 CB GLU A 39 -8.513 -1.554 -2.907 1.00 0.00 C ATOM 613 CG GLU A 39 -7.870 -2.309 -4.059 1.00 0.00 C ATOM 614 CD GLU A 39 -6.728 -1.540 -4.693 1.00 0.00 C ATOM 615 OE1 GLU A 39 -6.025 -0.811 -3.963 1.00 0.00 O ATOM 616 OE2 GLU A 39 -6.535 -1.668 -5.921 1.00 0.00 O ATOM 0 H GLU A 39 -7.299 0.592 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.398 -0.236 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.770 -1.399 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.304 -2.168 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.501 -3.269 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.625 -2.521 -4.816 1.00 0.00 H new ATOM 623 N ALA A 40 -10.121 0.684 -1.298 1.00 0.00 N ATOM 624 CA ALA A 40 -11.220 1.020 -0.399 1.00 0.00 C ATOM 625 C ALA A 40 -12.207 1.983 -1.062 1.00 0.00 C ATOM 626 O ALA A 40 -13.171 1.554 -1.694 1.00 0.00 O ATOM 627 CB ALA A 40 -10.677 1.606 0.899 1.00 0.00 C ATOM 0 H ALA A 40 -9.196 0.930 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.763 0.104 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.506 1.853 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.029 0.876 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.107 2.509 0.680 1.00 0.00 H new ATOM 633 N CYS A 41 -11.968 3.286 -0.913 1.00 0.00 N ATOM 634 CA CYS A 41 -12.845 4.295 -1.497 1.00 0.00 C ATOM 635 C CYS A 41 -12.541 4.494 -2.980 1.00 0.00 C ATOM 636 O CYS A 41 -11.843 3.688 -3.595 1.00 0.00 O ATOM 637 CB CYS A 41 -12.706 5.622 -0.743 1.00 0.00 C ATOM 638 SG CYS A 41 -11.143 6.508 -1.059 1.00 0.00 S ATOM 0 H CYS A 41 -11.176 3.665 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.873 3.944 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.539 6.270 -1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.790 5.429 0.326 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.030 7.499 -0.225 1.00 0.00 H new ATOM 643 N MET A 42 -13.070 5.575 -3.548 1.00 0.00 N ATOM 644 CA MET A 42 -12.856 5.881 -4.957 1.00 0.00 C ATOM 645 C MET A 42 -11.807 6.976 -5.130 1.00 0.00 C ATOM 646 O MET A 42 -11.174 7.080 -6.179 1.00 0.00 O ATOM 647 CB MET A 42 -14.171 6.310 -5.612 1.00 0.00 C ATOM 648 CG MET A 42 -15.343 5.403 -5.273 1.00 0.00 C ATOM 649 SD MET A 42 -16.484 5.199 -6.655 1.00 0.00 S ATOM 650 CE MET A 42 -17.645 4.022 -5.965 1.00 0.00 C ATOM 0 H MET A 42 -13.650 6.253 -3.053 1.00 0.00 H new ATOM 0 HA MET A 42 -12.490 4.977 -5.445 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.408 7.327 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.039 6.330 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 42 -14.966 4.426 -4.971 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.882 5.815 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.414 3.795 -6.703 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.118 3.106 -5.696 1.00 0.00 H new ATOM 0 HE3 MET A 42 -18.110 4.448 -5.076 1.00 0.00 H new ATOM 660 N LYS A 43 -11.629 7.794 -4.095 1.00 0.00 N ATOM 661 CA LYS A 43 -10.655 8.883 -4.138 1.00 0.00 C ATOM 662 C LYS A 43 -9.280 8.371 -4.566 1.00 0.00 C ATOM 663 O LYS A 43 -8.935 7.216 -4.322 1.00 0.00 O ATOM 664 CB LYS A 43 -10.560 9.565 -2.770 1.00 0.00 C ATOM 665 CG LYS A 43 -11.114 10.982 -2.757 1.00 0.00 C ATOM 666 CD LYS A 43 -10.026 12.011 -2.482 1.00 0.00 C ATOM 667 CE LYS A 43 -10.460 13.012 -1.423 1.00 0.00 C ATOM 668 NZ LYS A 43 -10.016 14.395 -1.753 1.00 0.00 N ATOM 0 H LYS A 43 -12.145 7.724 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.994 9.611 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.099 8.966 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.516 9.589 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.584 11.197 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.891 11.062 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.119 11.504 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.781 12.538 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.546 12.992 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.049 12.719 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.331 15.048 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.978 14.420 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.428 14.684 -2.663 1.00 0.00 H new ATOM 682 N PRO A 44 -8.477 9.232 -5.217 1.00 0.00 N ATOM 683 CA PRO A 44 -7.136 8.862 -5.682 1.00 0.00 C ATOM 684 C PRO A 44 -6.156 8.655 -4.533 1.00 0.00 C ATOM 685 O PRO A 44 -6.426 9.038 -3.396 1.00 0.00 O ATOM 686 CB PRO A 44 -6.714 10.059 -6.537 1.00 0.00 C ATOM 687 CG PRO A 44 -7.499 11.204 -6.000 1.00 0.00 C ATOM 688 CD PRO A 44 -8.813 10.627 -5.551 1.00 0.00 C ATOM 0 HA PRO A 44 -7.141 7.915 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.642 10.243 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.933 9.889 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.977 11.680 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.648 11.968 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.213 11.161 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.566 10.682 -6.338 1.00 0.00 H new ATOM 696 N LEU A 45 -5.017 8.044 -4.840 1.00 0.00 N ATOM 697 CA LEU A 45 -3.991 7.781 -3.837 1.00 0.00 C ATOM 698 C LEU A 45 -2.602 8.080 -4.391 1.00 0.00 C ATOM 699 O LEU A 45 -2.044 7.286 -5.148 1.00 0.00 O ATOM 700 CB LEU A 45 -4.071 6.324 -3.370 1.00 0.00 C ATOM 701 CG LEU A 45 -2.967 5.889 -2.404 1.00 0.00 C ATOM 702 CD1 LEU A 45 -2.912 6.816 -1.203 1.00 0.00 C ATOM 703 CD2 LEU A 45 -3.188 4.451 -1.956 1.00 0.00 C ATOM 0 H LEU A 45 -4.780 7.721 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.168 8.437 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.036 6.166 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.042 5.676 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.012 5.946 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.121 6.490 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.708 7.833 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.868 6.791 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.394 4.158 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.151 4.371 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.177 3.793 -2.825 1.00 0.00 H new ATOM 715 N TRP A 46 -2.049 9.232 -4.014 1.00 0.00 N ATOM 716 CA TRP A 46 -0.721 9.639 -4.472 1.00 0.00 C ATOM 717 C TRP A 46 -0.437 11.092 -4.107 1.00 0.00 C ATOM 718 O TRP A 46 -1.260 11.758 -3.477 1.00 0.00 O ATOM 719 CB TRP A 46 -0.591 9.458 -5.988 1.00 0.00 C ATOM 720 CG TRP A 46 -1.745 10.032 -6.752 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.904 9.394 -7.090 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.851 11.362 -7.273 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.724 10.246 -7.790 1.00 0.00 N ATOM 724 CE2 TRP A 46 -3.101 11.460 -7.914 1.00 0.00 C ATOM 725 CE3 TRP A 46 -1.012 12.481 -7.258 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -3.530 12.630 -8.535 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -1.440 13.642 -7.875 1.00 0.00 C ATOM 728 CH2 TRP A 46 -2.688 13.709 -8.505 1.00 0.00 C ATOM 0 H TRP A 46 -2.501 9.901 -3.391 1.00 0.00 H new ATOM 0 HA TRP A 46 0.008 9.002 -3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.331 9.931 -6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.506 8.395 -6.215 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.141 8.370 -6.843 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.646 10.013 -8.158 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.048 12.439 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.492 12.684 -9.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.800 14.512 -7.871 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.993 14.631 -8.977 1.00 0.00 H new ATOM 739 N HIS A 47 0.734 11.578 -4.509 1.00 0.00 N ATOM 740 CA HIS A 47 1.133 12.955 -4.232 1.00 0.00 C ATOM 741 C HIS A 47 2.520 13.236 -4.800 1.00 0.00 C ATOM 742 O HIS A 47 3.351 12.335 -4.911 1.00 0.00 O ATOM 743 CB HIS A 47 1.115 13.223 -2.725 1.00 0.00 C ATOM 744 CG HIS A 47 0.246 14.378 -2.334 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.026 15.433 -3.180 1.00 0.00 N ATOM 746 CD2 HIS A 47 -0.416 14.640 -1.181 1.00 0.00 C ATOM 747 CE1 HIS A 47 -0.818 16.294 -2.565 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.068 15.836 -1.352 1.00 0.00 N ATOM 0 H HIS A 47 1.425 11.037 -5.029 1.00 0.00 H new ATOM 0 HA HIS A 47 0.419 13.622 -4.715 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.769 12.327 -2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.133 13.413 -2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.428 14.024 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.196 17.215 -2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.652 16.297 -0.654 1.00 0.00 H new ATOM 757 N MET A 48 2.765 14.492 -5.160 1.00 0.00 N ATOM 758 CA MET A 48 4.055 14.887 -5.719 1.00 0.00 C ATOM 759 C MET A 48 4.913 15.589 -4.676 1.00 0.00 C ATOM 760 O MET A 48 6.093 15.278 -4.516 1.00 0.00 O ATOM 761 CB MET A 48 3.864 15.808 -6.929 1.00 0.00 C ATOM 762 CG MET A 48 2.736 16.814 -6.769 1.00 0.00 C ATOM 763 SD MET A 48 2.522 17.852 -8.227 1.00 0.00 S ATOM 764 CE MET A 48 1.227 16.962 -9.085 1.00 0.00 C ATOM 0 H MET A 48 2.090 15.252 -5.075 1.00 0.00 H new ATOM 0 HA MET A 48 4.565 13.978 -6.039 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.794 16.346 -7.113 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.670 15.197 -7.810 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.806 16.283 -6.566 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.937 17.446 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.981 17.481 -10.012 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.569 15.953 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.341 16.910 -8.452 1.00 0.00 H new ATOM 774 N PHE A 49 4.315 16.541 -3.970 1.00 0.00 N ATOM 775 CA PHE A 49 5.031 17.289 -2.948 1.00 0.00 C ATOM 776 C PHE A 49 5.288 16.425 -1.718 1.00 0.00 C ATOM 777 O PHE A 49 6.422 16.025 -1.453 1.00 0.00 O ATOM 778 CB PHE A 49 4.244 18.540 -2.553 1.00 0.00 C ATOM 779 CG PHE A 49 4.260 19.615 -3.601 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.272 20.562 -3.628 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.261 19.681 -4.561 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.287 21.554 -4.590 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.272 20.669 -5.527 1.00 0.00 C ATOM 784 CZ PHE A 49 4.286 21.607 -5.542 1.00 0.00 C ATOM 0 H PHE A 49 3.339 16.812 -4.087 1.00 0.00 H new ATOM 0 HA PHE A 49 5.992 17.591 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.211 18.260 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.656 18.941 -1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.058 20.524 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.465 18.951 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.080 22.287 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.489 20.708 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.297 22.380 -6.296 1.00 0.00 H new ATOM 794 N LYS A 50 4.228 16.143 -0.969 1.00 0.00 N ATOM 795 CA LYS A 50 4.338 15.327 0.235 1.00 0.00 C ATOM 796 C LYS A 50 3.436 14.097 0.144 1.00 0.00 C ATOM 797 O LYS A 50 2.251 14.164 0.468 1.00 0.00 O ATOM 798 CB LYS A 50 3.967 16.152 1.468 1.00 0.00 C ATOM 799 CG LYS A 50 4.957 17.265 1.775 1.00 0.00 C ATOM 800 CD LYS A 50 6.151 16.746 2.558 1.00 0.00 C ATOM 801 CE LYS A 50 7.097 17.873 2.941 1.00 0.00 C ATOM 802 NZ LYS A 50 8.521 17.435 2.919 1.00 0.00 N ATOM 0 H LYS A 50 3.283 16.467 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 50 5.372 14.993 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.978 16.587 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.898 15.490 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.299 17.716 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.459 18.049 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.805 16.238 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.686 16.007 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.964 18.708 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.844 18.236 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.134 18.232 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.655 16.655 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.770 17.112 1.962 1.00 0.00 H new ATOM 816 N PRO A 51 3.985 12.951 -0.299 1.00 0.00 N ATOM 817 CA PRO A 51 3.216 11.708 -0.426 1.00 0.00 C ATOM 818 C PRO A 51 2.701 11.211 0.922 1.00 0.00 C ATOM 819 O PRO A 51 3.472 11.051 1.868 1.00 0.00 O ATOM 820 CB PRO A 51 4.222 10.714 -1.016 1.00 0.00 C ATOM 821 CG PRO A 51 5.562 11.284 -0.700 1.00 0.00 C ATOM 822 CD PRO A 51 5.389 12.776 -0.708 1.00 0.00 C ATOM 0 HA PRO A 51 2.327 11.842 -1.042 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.101 9.724 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.084 10.605 -2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.914 10.937 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.302 10.973 -1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.075 13.265 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.577 13.198 -1.695 1.00 0.00 H new ATOM 830 N PRO A 52 1.384 10.958 1.030 1.00 0.00 N ATOM 831 CA PRO A 52 0.775 10.479 2.272 1.00 0.00 C ATOM 832 C PRO A 52 1.106 9.015 2.552 1.00 0.00 C ATOM 833 O PRO A 52 1.381 8.247 1.631 1.00 0.00 O ATOM 834 CB PRO A 52 -0.723 10.651 2.019 1.00 0.00 C ATOM 835 CG PRO A 52 -0.870 10.543 0.540 1.00 0.00 C ATOM 836 CD PRO A 52 0.389 11.120 -0.048 1.00 0.00 C ATOM 0 HA PRO A 52 1.139 11.024 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.302 9.883 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.078 11.615 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.002 9.504 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.748 11.090 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.688 10.590 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.260 12.168 -0.320 1.00 0.00 H new ATOM 844 N PRO A 53 1.081 8.611 3.833 1.00 0.00 N ATOM 845 CA PRO A 53 1.380 7.230 4.227 1.00 0.00 C ATOM 846 C PRO A 53 0.357 6.241 3.679 1.00 0.00 C ATOM 847 O PRO A 53 -0.664 5.976 4.311 1.00 0.00 O ATOM 848 CB PRO A 53 1.318 7.269 5.758 1.00 0.00 C ATOM 849 CG PRO A 53 0.489 8.463 6.081 1.00 0.00 C ATOM 850 CD PRO A 53 0.761 9.460 4.991 1.00 0.00 C ATOM 0 HA PRO A 53 2.342 6.896 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.871 6.359 6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.315 7.352 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.569 8.205 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.753 8.870 7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.105 10.093 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.589 10.121 5.247 1.00 0.00 H new ATOM 858 N ALA A 54 0.643 5.696 2.501 1.00 0.00 N ATOM 859 CA ALA A 54 -0.248 4.733 1.867 1.00 0.00 C ATOM 860 C ALA A 54 0.113 3.311 2.272 1.00 0.00 C ATOM 861 O ALA A 54 1.282 2.997 2.494 1.00 0.00 O ATOM 862 CB ALA A 54 -0.196 4.884 0.354 1.00 0.00 C ATOM 0 H ALA A 54 1.486 5.906 1.966 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.265 4.934 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.866 4.159 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.507 5.892 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.822 4.710 0.006 1.00 0.00 H new ATOM 868 N LEU A 55 -0.895 2.452 2.372 1.00 0.00 N ATOM 869 CA LEU A 55 -0.674 1.064 2.754 1.00 0.00 C ATOM 870 C LEU A 55 -0.878 0.126 1.569 1.00 0.00 C ATOM 871 O LEU A 55 -1.983 0.007 1.040 1.00 0.00 O ATOM 872 CB LEU A 55 -1.607 0.677 3.903 1.00 0.00 C ATOM 873 CG LEU A 55 -1.640 1.666 5.069 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.568 1.169 6.166 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.237 1.890 5.613 1.00 0.00 C ATOM 0 H LEU A 55 -1.870 2.692 2.194 1.00 0.00 H new ATOM 0 HA LEU A 55 0.359 0.966 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.618 0.568 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.306 -0.299 4.283 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.024 2.618 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.578 1.886 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.577 1.060 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.216 0.204 6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.277 2.596 6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.173 0.943 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.399 2.292 4.824 1.00 0.00 H new ATOM 887 N GLU A 56 0.201 -0.537 1.159 1.00 0.00 N ATOM 888 CA GLU A 56 0.152 -1.465 0.034 1.00 0.00 C ATOM 889 C GLU A 56 0.089 -2.910 0.520 1.00 0.00 C ATOM 890 O GLU A 56 0.830 -3.304 1.418 1.00 0.00 O ATOM 891 CB GLU A 56 1.378 -1.275 -0.860 1.00 0.00 C ATOM 892 CG GLU A 56 1.329 -2.089 -2.142 1.00 0.00 C ATOM 893 CD GLU A 56 2.681 -2.658 -2.524 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.624 -1.864 -2.728 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.798 -3.898 -2.618 1.00 0.00 O ATOM 0 H GLU A 56 1.121 -0.448 1.591 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.750 -1.253 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.472 -0.219 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.272 -1.549 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.616 -2.905 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.961 -1.461 -2.953 1.00 0.00 H new ATOM 902 N CYS A 57 -0.796 -3.697 -0.083 1.00 0.00 N ATOM 903 CA CYS A 57 -0.945 -5.098 0.289 1.00 0.00 C ATOM 904 C CYS A 57 0.218 -5.925 -0.247 1.00 0.00 C ATOM 905 O CYS A 57 0.640 -5.755 -1.390 1.00 0.00 O ATOM 906 CB CYS A 57 -2.274 -5.650 -0.238 1.00 0.00 C ATOM 907 SG CYS A 57 -2.496 -7.439 0.029 1.00 0.00 S ATOM 0 H CYS A 57 -1.419 -3.389 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.943 -5.165 1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.093 -5.117 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.344 -5.442 -1.306 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.473 -7.694 1.304 1.00 0.00 H new ATOM 912 N ARG A 58 0.733 -6.823 0.587 1.00 0.00 N ATOM 913 CA ARG A 58 1.846 -7.680 0.195 1.00 0.00 C ATOM 914 C ARG A 58 1.345 -9.042 -0.271 1.00 0.00 C ATOM 915 O ARG A 58 2.013 -10.061 -0.087 1.00 0.00 O ATOM 916 CB ARG A 58 2.823 -7.846 1.363 1.00 0.00 C ATOM 917 CG ARG A 58 2.209 -8.510 2.583 1.00 0.00 C ATOM 918 CD ARG A 58 3.196 -8.582 3.738 1.00 0.00 C ATOM 919 NE ARG A 58 3.408 -9.954 4.192 1.00 0.00 N ATOM 920 CZ ARG A 58 4.255 -10.807 3.618 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.967 -10.436 2.561 1.00 0.00 N ATOM 922 NH2 ARG A 58 4.386 -12.034 4.099 1.00 0.00 N ATOM 0 H ARG A 58 0.397 -6.976 1.538 1.00 0.00 H new ATOM 0 HA ARG A 58 2.366 -7.205 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.677 -8.436 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.205 -6.866 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.324 -7.954 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.879 -9.516 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.148 -8.151 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.828 -7.978 4.568 1.00 0.00 H new ATOM 0 HE ARG A 58 2.875 -10.279 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.867 -9.493 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.614 -11.093 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.838 -12.326 4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.034 -12.687 3.660 1.00 0.00 H new ATOM 936 N ARG A 59 0.163 -9.051 -0.881 1.00 0.00 N ATOM 937 CA ARG A 59 -0.439 -10.284 -1.382 1.00 0.00 C ATOM 938 C ARG A 59 -1.081 -10.059 -2.753 1.00 0.00 C ATOM 939 O ARG A 59 -0.510 -10.425 -3.779 1.00 0.00 O ATOM 940 CB ARG A 59 -1.479 -10.807 -0.389 1.00 0.00 C ATOM 941 CG ARG A 59 -0.907 -11.125 0.987 1.00 0.00 C ATOM 942 CD ARG A 59 -1.564 -10.293 2.079 1.00 0.00 C ATOM 943 NE ARG A 59 -2.366 -11.114 2.983 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.850 -11.909 3.918 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.534 -11.995 4.073 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.651 -12.618 4.699 1.00 0.00 N ATOM 0 H ARG A 59 -0.399 -8.215 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 59 0.349 -11.029 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.270 -10.065 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.939 -11.707 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.048 -12.184 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.167 -10.940 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.796 -9.771 2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.196 -9.531 1.624 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.381 -11.076 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.087 -11.450 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.144 -12.606 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.663 -12.555 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.256 -13.227 5.416 1.00 0.00 H new ATOM 960 N CYS A 60 -2.269 -9.454 -2.764 1.00 0.00 N ATOM 961 CA CYS A 60 -2.977 -9.183 -4.014 1.00 0.00 C ATOM 962 C CYS A 60 -2.505 -7.874 -4.649 1.00 0.00 C ATOM 963 O CYS A 60 -2.849 -7.573 -5.793 1.00 0.00 O ATOM 964 CB CYS A 60 -4.490 -9.127 -3.775 1.00 0.00 C ATOM 965 SG CYS A 60 -5.054 -7.675 -2.828 1.00 0.00 S ATOM 0 H CYS A 60 -2.759 -9.144 -1.925 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.753 -9.999 -4.701 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.998 -9.135 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.795 -10.030 -3.247 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.226 -7.445 -1.853 1.00 0.00 H new ATOM 970 N HIS A 61 -1.718 -7.097 -3.903 1.00 0.00 N ATOM 971 CA HIS A 61 -1.204 -5.821 -4.397 1.00 0.00 C ATOM 972 C HIS A 61 -2.313 -4.776 -4.472 1.00 0.00 C ATOM 973 O HIS A 61 -3.025 -4.679 -5.472 1.00 0.00 O ATOM 974 CB HIS A 61 -0.548 -5.997 -5.772 1.00 0.00 C ATOM 975 CG HIS A 61 0.936 -5.799 -5.755 1.00 0.00 C ATOM 976 ND1 HIS A 61 1.534 -4.620 -5.362 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.946 -6.639 -6.083 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.846 -4.743 -5.451 1.00 0.00 C ATOM 979 NE2 HIS A 61 3.122 -5.959 -5.885 1.00 0.00 N ATOM 0 H HIS A 61 -1.423 -7.330 -2.955 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.450 -5.470 -3.693 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.769 -6.997 -6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.993 -5.289 -6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.845 -7.655 -6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.570 -3.979 -5.210 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.057 -6.333 -6.047 1.00 0.00 H new ATOM 988 N ILE A 62 -2.451 -3.995 -3.405 1.00 0.00 N ATOM 989 CA ILE A 62 -3.467 -2.952 -3.336 1.00 0.00 C ATOM 990 C ILE A 62 -3.053 -1.862 -2.360 1.00 0.00 C ATOM 991 O ILE A 62 -2.628 -2.149 -1.242 1.00 0.00 O ATOM 992 CB ILE A 62 -4.834 -3.518 -2.905 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.734 -4.207 -1.544 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.353 -4.485 -3.952 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.895 -3.898 -0.624 1.00 0.00 C ATOM 0 H ILE A 62 -1.867 -4.066 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.561 -2.533 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.536 -2.689 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.677 -5.285 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.806 -3.904 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.319 -4.879 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.466 -3.965 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.647 -5.307 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.758 -4.420 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.940 -2.824 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.825 -4.227 -1.088 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.169 -0.610 -2.782 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.792 0.502 -1.923 1.00 0.00 C ATOM 1009 C LYS A 63 -4.012 1.137 -1.273 1.00 0.00 C ATOM 1010 O LYS A 63 -5.090 1.189 -1.866 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.023 1.564 -2.706 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.887 1.008 -3.548 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.399 0.367 -4.827 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.320 0.323 -5.898 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.897 0.298 -7.269 1.00 0.00 N ATOM 0 H LYS A 63 -3.517 -0.342 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.147 0.099 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.718 2.095 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.619 2.295 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.191 1.810 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.331 0.271 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.745 -0.645 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.258 0.926 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.330 1.192 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.302 -0.560 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.249 0.776 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.032 -0.688 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.814 0.788 -7.269 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.829 1.625 -0.051 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.904 2.266 0.691 1.00 0.00 C ATOM 1031 C CYS A 64 -4.339 3.183 1.772 1.00 0.00 C ATOM 1032 O CYS A 64 -3.671 2.720 2.696 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.807 1.212 1.331 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.923 0.382 0.178 1.00 0.00 S ATOM 0 H CYS A 64 -2.940 1.587 0.448 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.490 2.864 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -5.182 0.462 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.400 1.686 2.113 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.396 0.381 -1.011 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.604 4.485 1.647 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.114 5.475 2.618 1.00 0.00 C ATOM 1042 C HIS A 65 -4.140 4.934 4.036 1.00 0.00 C ATOM 1043 O HIS A 65 -5.148 4.392 4.488 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.936 6.777 2.597 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.985 6.844 1.534 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -7.038 6.033 1.347 1.00 0.00 N flip ATOM 1047 CD2 HIS A 65 -6.068 7.809 0.551 1.00 0.00 C flip ATOM 1048 CE1 HIS A 65 -7.787 6.473 0.271 1.00 0.00 C flip ATOM 1049 NE2 HIS A 65 -7.167 7.548 -0.182 1.00 0.00 N flip ATOM 0 H HIS A 65 -5.154 4.882 0.885 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.089 5.688 2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.415 6.902 3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.254 7.618 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.377 8.625 0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.692 6.030 -0.118 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.478 8.104 -0.978 1.00 0.00 H new ATOM 1057 N LYS A 66 -3.040 5.128 4.748 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.956 4.706 6.133 1.00 0.00 C ATOM 1059 C LYS A 66 -4.156 5.259 6.894 1.00 0.00 C ATOM 1060 O LYS A 66 -4.637 4.654 7.854 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.648 5.194 6.763 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.536 4.891 8.251 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.290 4.076 8.567 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.604 2.919 9.503 1.00 0.00 C ATOM 1065 NZ LYS A 66 -0.536 3.327 10.935 1.00 0.00 N ATOM 0 H LYS A 66 -2.196 5.574 4.388 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.966 3.617 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.809 4.731 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.562 6.270 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.512 5.825 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.421 4.345 8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.139 3.691 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.462 4.720 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.599 2.534 9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.099 2.106 9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.756 2.510 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.421 3.671 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.225 4.085 11.113 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.632 6.422 6.444 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.775 7.081 7.060 1.00 0.00 C ATOM 1081 C ASP A 67 -6.947 6.120 7.251 1.00 0.00 C ATOM 1082 O ASP A 67 -7.551 6.082 8.322 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.219 8.273 6.211 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.410 9.522 6.501 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.889 9.643 7.630 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.299 10.382 5.601 1.00 0.00 O ATOM 0 H ASP A 67 -4.237 6.926 5.650 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.461 7.430 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.124 8.019 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.274 8.475 6.397 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.275 5.345 6.214 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.397 4.399 6.317 1.00 0.00 C ATOM 1093 C HIS A 68 -8.250 3.508 7.548 1.00 0.00 C ATOM 1094 O HIS A 68 -9.188 3.355 8.331 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.515 3.522 5.067 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.130 4.225 3.900 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.125 5.174 4.004 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.815 4.156 2.587 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.371 5.648 2.774 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.598 5.063 1.879 1.00 0.00 N ATOM 0 H HIS A 68 -6.796 5.349 5.314 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.305 4.995 6.410 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.523 3.168 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.111 2.641 5.306 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.591 5.464 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.073 3.501 2.156 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.104 6.408 2.546 1.00 0.00 H new ATOM 1108 N MET A 69 -7.071 2.920 7.711 1.00 0.00 N ATOM 1109 CA MET A 69 -6.805 2.042 8.846 1.00 0.00 C ATOM 1110 C MET A 69 -6.888 2.808 10.161 1.00 0.00 C ATOM 1111 O MET A 69 -7.548 2.373 11.103 1.00 0.00 O ATOM 1112 CB MET A 69 -5.424 1.397 8.705 1.00 0.00 C ATOM 1113 CG MET A 69 -5.096 0.416 9.819 1.00 0.00 C ATOM 1114 SD MET A 69 -6.315 -0.906 9.961 1.00 0.00 S ATOM 1115 CE MET A 69 -6.407 -1.465 8.261 1.00 0.00 C ATOM 0 H MET A 69 -6.284 3.035 7.073 1.00 0.00 H new ATOM 0 HA MET A 69 -7.566 1.261 8.854 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.370 0.879 7.748 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.666 2.180 8.687 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.113 -0.019 9.637 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.036 0.953 10.765 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.425 -1.786 8.038 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.129 -0.649 7.594 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.723 -2.301 8.115 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.217 3.953 10.217 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.215 4.782 11.417 1.00 0.00 C ATOM 1127 C ASP A 70 -7.633 5.206 11.789 1.00 0.00 C ATOM 1128 O ASP A 70 -7.949 5.394 12.963 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.338 6.017 11.209 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.505 6.350 12.430 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.927 5.993 13.552 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.433 6.969 12.269 1.00 0.00 O ATOM 0 H ASP A 70 -5.667 4.329 9.445 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.806 4.190 12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.678 5.851 10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.970 6.870 10.961 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.484 5.359 10.779 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.868 5.762 10.996 1.00 0.00 C ATOM 1139 C LYS A 71 -10.772 4.549 11.208 1.00 0.00 C ATOM 1140 O LYS A 71 -11.896 4.680 11.696 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.372 6.588 9.811 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.506 7.797 9.500 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.158 9.088 9.969 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.125 10.170 10.234 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.649 11.228 11.142 1.00 0.00 N ATOM 0 H LYS A 71 -8.238 5.209 9.800 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.900 6.372 11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.421 5.950 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.388 6.923 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.535 7.683 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.325 7.849 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.864 9.435 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.729 8.899 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.235 9.722 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.821 10.620 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.914 11.947 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.484 11.674 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.916 10.803 12.053 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.281 3.370 10.836 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.052 2.140 10.987 1.00 0.00 C ATOM 1161 C LYS A 72 -12.317 2.185 10.134 1.00 0.00 C ATOM 1162 O LYS A 72 -13.412 1.883 10.609 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.411 1.914 12.458 1.00 0.00 C ATOM 1164 CG LYS A 72 -11.082 0.515 12.952 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.757 -0.549 12.102 1.00 0.00 C ATOM 1166 CE LYS A 72 -13.212 -0.739 12.499 1.00 0.00 C ATOM 1167 NZ LYS A 72 -13.669 -2.140 12.285 1.00 0.00 N ATOM 0 H LYS A 72 -9.355 3.241 10.429 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.437 1.308 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.879 2.642 13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.476 2.099 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.002 0.366 12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.401 0.410 13.989 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.699 -0.267 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.223 -1.494 12.208 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.340 -0.472 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.838 -0.061 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.666 -2.227 12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.572 -2.387 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.089 -2.786 12.858 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.155 2.563 8.871 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.277 2.648 7.947 1.00 0.00 C ATOM 1183 C GLU A 73 -13.840 1.266 7.646 1.00 0.00 C ATOM 1184 O GLU A 73 -13.096 0.291 7.529 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.841 3.322 6.643 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.489 4.790 6.803 1.00 0.00 C ATOM 1187 CD GLU A 73 -13.049 5.650 5.685 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.114 5.294 5.140 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -12.420 6.678 5.356 1.00 0.00 O ATOM 0 H GLU A 73 -11.255 2.816 8.464 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.057 3.246 8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.977 2.792 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.642 3.227 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.871 5.149 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.405 4.899 6.832 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.157 1.190 7.510 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.826 -0.069 7.207 1.00 0.00 C ATOM 1198 C GLU A 74 -15.946 -0.251 5.697 1.00 0.00 C ATOM 1199 O GLU A 74 -16.991 -0.655 5.187 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.213 -0.106 7.853 1.00 0.00 C ATOM 1201 CG GLU A 74 -18.164 0.949 7.313 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.441 1.051 8.123 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -20.324 0.186 7.950 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.559 1.996 8.931 1.00 0.00 O ATOM 0 H GLU A 74 -15.785 1.988 7.605 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.230 -0.885 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.651 -1.092 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.107 0.029 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.663 1.917 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.412 0.714 6.278 1.00 0.00 H new ATOM 1211 N ILE A 75 -14.865 0.062 4.990 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.834 -0.051 3.539 1.00 0.00 C ATOM 1213 C ILE A 75 -13.795 -1.074 3.091 1.00 0.00 C ATOM 1214 O ILE A 75 -14.009 -1.812 2.128 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.519 1.313 2.891 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.148 1.818 3.358 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.609 2.318 3.238 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.863 3.256 2.977 1.00 0.00 C ATOM 0 H ILE A 75 -13.995 0.398 5.403 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.821 -0.383 3.216 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.489 1.194 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.085 1.720 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.373 1.179 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.379 3.278 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.568 1.957 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.661 2.439 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.876 3.540 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.892 3.358 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.616 3.906 3.423 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.671 -1.115 3.800 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.597 -2.047 3.482 1.00 0.00 C ATOM 1232 C ILE A 76 -12.061 -3.491 3.649 1.00 0.00 C ATOM 1233 O ILE A 76 -12.569 -3.873 4.703 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.365 -1.806 4.379 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -9.885 -0.360 4.239 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.245 -2.781 4.034 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.105 0.137 5.437 1.00 0.00 C ATOM 0 H ILE A 76 -12.481 -0.512 4.600 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.319 -1.875 2.442 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.653 -1.978 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.260 -0.278 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.748 0.287 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.387 -2.592 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.593 -3.803 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.953 -2.646 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.797 1.169 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.733 0.087 6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.223 -0.486 5.581 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.881 -4.291 2.602 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.279 -5.693 2.639 1.00 0.00 C ATOM 1251 C ALA A 77 -11.067 -6.607 2.757 1.00 0.00 C ATOM 1252 O ALA A 77 -9.933 -6.187 2.521 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.085 -6.052 1.399 1.00 0.00 C ATOM 0 H ALA A 77 -11.463 -3.993 1.720 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.903 -5.838 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.373 -7.102 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.980 -5.431 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.480 -5.880 0.509 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.293 -7.878 3.122 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.216 -8.861 3.269 1.00 0.00 C ATOM 1261 C PRO A 78 -9.499 -9.139 1.952 1.00 0.00 C ATOM 1262 O PRO A 78 -10.038 -8.890 0.874 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.939 -10.122 3.756 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.364 -9.932 3.364 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.616 -8.455 3.419 1.00 0.00 C ATOM 0 HA PRO A 78 -9.441 -8.509 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.521 -11.018 3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.840 -10.241 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.548 -10.322 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.029 -10.467 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.363 -8.146 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.980 -8.145 4.398 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.279 -9.663 2.048 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.489 -9.980 0.862 1.00 0.00 C ATOM 1275 C CYS A 79 -8.199 -11.017 -0.002 1.00 0.00 C ATOM 1276 O CYS A 79 -8.898 -11.892 0.511 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.104 -10.489 1.264 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.863 -10.375 -0.069 1.00 0.00 S ATOM 0 H CYS A 79 -7.818 -9.876 2.932 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.373 -9.067 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.753 -9.919 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.187 -11.528 1.583 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.147 -9.303 0.096 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.024 -10.908 -1.315 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.658 -11.831 -2.250 1.00 0.00 C ATOM 1285 C LYS A 80 -7.763 -13.034 -2.541 1.00 0.00 C ATOM 1286 O LYS A 80 -8.221 -14.176 -2.510 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.999 -11.110 -3.556 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.781 -10.608 -4.312 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.177 -9.710 -5.473 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.176 -10.469 -6.789 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.846 -9.700 -7.875 1.00 0.00 N ATOM 0 H LYS A 80 -7.449 -10.190 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.575 -12.195 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.561 -11.788 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.652 -10.266 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.130 -10.059 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.208 -11.457 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.169 -9.295 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.486 -8.869 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.149 -10.689 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.681 -11.426 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.824 -10.252 -8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.834 -9.512 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.349 -8.798 -8.019 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.491 -12.775 -2.831 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.549 -13.847 -3.134 1.00 0.00 C ATOM 1307 C VAL A 81 -5.346 -14.764 -1.931 1.00 0.00 C ATOM 1308 O VAL A 81 -5.181 -15.974 -2.083 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.182 -13.296 -3.583 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.323 -12.493 -4.867 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.555 -12.453 -2.482 1.00 0.00 C ATOM 0 H VAL A 81 -6.091 -11.837 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.985 -14.419 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.521 -14.139 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.347 -12.113 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.721 -13.133 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.003 -11.657 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.590 -12.073 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.212 -11.616 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.413 -13.065 -1.591 1.00 0.00 H new