USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 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= -7.91! K(o=-13!,f=-13) USER MOD Set 1.2: A 57 CYS SG : rot 3:sc= -1.17 USER MOD Set 1.3: A 60 CYS SG : rot -41:sc= -1.18 USER MOD Set 1.4: A 79 CYS SG : rot 97:sc= -2.38 USER MOD Set 2.1: A 38 CYS SG : rot -64:sc= 0.18 USER MOD Set 2.2: A 41 CYS SG : rot -28:sc= -0.913 USER MOD Set 2.3: A 65 HIS : no HE2:sc= -9.66! C(o=-21!,f=-14!) USER MOD Set 2.4: A 68 HIS : no HD1:sc= -10.8! C(o=-21!,f=-19!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -0.571 K(o=-9,f=-11) USER MOD Set 3.2: A 69 MET CE :methyl 141:sc= -8.41! (180deg=-13.7!) USER MOD Set 3.3: A 72 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.87) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 32 TYR OH : rot 80:sc= -3.49 USER MOD Single : A 33 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-1.6) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.74) 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 HE2:sc= -0.26 K(o=-0.26,f=-2.4) USER MOD Single : A 48 MET CE :methyl -131:sc= 0 (180deg=-0.0947) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 41:sc= 0.0465 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 267 N ASN A 18 7.345 -2.882 7.983 1.00 0.00 N ATOM 268 CA ASN A 18 6.247 -3.316 8.840 1.00 0.00 C ATOM 269 C ASN A 18 5.084 -3.842 8.007 1.00 0.00 C ATOM 270 O ASN A 18 5.100 -3.762 6.780 1.00 0.00 O ATOM 271 CB ASN A 18 5.777 -2.164 9.730 1.00 0.00 C ATOM 272 CG ASN A 18 5.819 -2.519 11.204 1.00 0.00 C ATOM 273 OD1 ASN A 18 4.973 -3.262 11.699 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.807 -1.986 11.913 1.00 0.00 N ATOM 0 HA ASN A 18 6.611 -4.125 9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.404 -1.291 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.759 -1.887 9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.886 -2.188 12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.487 -1.375 11.461 1.00 0.00 H new ATOM 281 N TYR A 19 4.074 -4.378 8.683 1.00 0.00 N ATOM 282 CA TYR A 19 2.902 -4.916 8.001 1.00 0.00 C ATOM 283 C TYR A 19 1.647 -4.733 8.847 1.00 0.00 C ATOM 284 O TYR A 19 1.525 -5.301 9.932 1.00 0.00 O ATOM 285 CB TYR A 19 3.093 -6.403 7.669 1.00 0.00 C ATOM 286 CG TYR A 19 4.532 -6.875 7.723 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.215 -6.950 8.931 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.205 -7.246 6.566 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.528 -7.379 8.984 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.517 -7.679 6.610 1.00 0.00 C ATOM 291 CZ TYR A 19 7.174 -7.743 7.821 1.00 0.00 C ATOM 292 OH TYR A 19 8.480 -8.172 7.869 1.00 0.00 O ATOM 0 H TYR A 19 4.043 -4.452 9.700 1.00 0.00 H new ATOM 0 HA TYR A 19 2.781 -4.362 7.070 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.502 -6.997 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.698 -6.594 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.711 -6.668 9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.694 -7.195 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.045 -7.429 9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.025 -7.966 5.701 1.00 0.00 H new ATOM 0 HH TYR A 19 8.786 -8.391 6.964 1.00 0.00 H new ATOM 302 N ILE A 20 0.714 -3.939 8.336 1.00 0.00 N ATOM 303 CA ILE A 20 -0.539 -3.679 9.029 1.00 0.00 C ATOM 304 C ILE A 20 -1.475 -4.878 8.917 1.00 0.00 C ATOM 305 O ILE A 20 -2.013 -5.162 7.845 1.00 0.00 O ATOM 306 CB ILE A 20 -1.235 -2.427 8.453 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.423 -1.172 8.778 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.655 -2.297 8.989 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.769 -0.974 7.867 1.00 0.00 C ATOM 0 H ILE A 20 0.804 -3.462 7.439 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.307 -3.504 10.080 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.292 -2.537 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.073 -0.300 8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.077 -1.230 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.123 -1.407 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.232 -3.178 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.628 -2.213 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.299 -0.066 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.440 -1.829 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.428 -0.884 6.836 1.00 0.00 H new ATOM 321 N CYS A 21 -1.662 -5.578 10.032 1.00 0.00 N ATOM 322 CA CYS A 21 -2.531 -6.747 10.067 1.00 0.00 C ATOM 323 C CYS A 21 -3.998 -6.334 10.081 1.00 0.00 C ATOM 324 O CYS A 21 -4.371 -5.355 10.728 1.00 0.00 O ATOM 325 CB CYS A 21 -2.219 -7.604 11.295 1.00 0.00 C ATOM 326 SG CYS A 21 -0.956 -8.866 11.015 1.00 0.00 S ATOM 0 H CYS A 21 -1.222 -5.354 10.924 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.346 -7.333 9.167 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.892 -6.952 12.106 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.136 -8.091 11.627 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.762 -9.536 12.112 1.00 0.00 H new ATOM 332 N HIS A 22 -4.824 -7.086 9.364 1.00 0.00 N ATOM 333 CA HIS A 22 -6.251 -6.799 9.292 1.00 0.00 C ATOM 334 C HIS A 22 -7.026 -8.032 8.836 1.00 0.00 C ATOM 335 O HIS A 22 -6.464 -9.121 8.722 1.00 0.00 O ATOM 336 CB HIS A 22 -6.506 -5.629 8.337 1.00 0.00 C ATOM 337 CG HIS A 22 -7.629 -4.732 8.763 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.414 -4.976 9.872 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.097 -3.582 8.220 1.00 0.00 C ATOM 340 CE1 HIS A 22 -9.315 -4.016 9.990 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.143 -3.158 9.001 1.00 0.00 N ATOM 0 H HIS A 22 -4.530 -7.900 8.824 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.599 -6.524 10.288 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.594 -5.038 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.725 -6.024 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.717 -3.090 7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.065 -3.945 10.764 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.698 -2.317 8.843 1.00 0.00 H new ATOM 350 N LYS A 23 -8.318 -7.854 8.581 1.00 0.00 N ATOM 351 CA LYS A 23 -9.176 -8.951 8.139 1.00 0.00 C ATOM 352 C LYS A 23 -8.594 -9.646 6.912 1.00 0.00 C ATOM 353 O LYS A 23 -8.886 -9.267 5.779 1.00 0.00 O ATOM 354 CB LYS A 23 -10.578 -8.431 7.816 1.00 0.00 C ATOM 355 CG LYS A 23 -10.579 -7.092 7.094 1.00 0.00 C ATOM 356 CD LYS A 23 -11.804 -6.931 6.208 1.00 0.00 C ATOM 357 CE LYS A 23 -13.090 -7.020 7.014 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.402 -5.742 7.710 1.00 0.00 N ATOM 0 H LYS A 23 -8.797 -6.958 8.673 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.236 -9.675 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.097 -9.166 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.143 -8.335 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.550 -6.284 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.677 -7.005 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.760 -5.970 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.802 -7.703 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.915 -7.283 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.003 -7.821 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.286 -5.846 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.627 -5.503 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.511 -4.982 7.008 1.00 0.00 H new ATOM 372 N GLY A 24 -7.769 -10.662 7.139 1.00 0.00 N ATOM 373 CA GLY A 24 -7.165 -11.384 6.034 1.00 0.00 C ATOM 374 C GLY A 24 -6.273 -10.508 5.178 1.00 0.00 C ATOM 375 O GLY A 24 -5.885 -10.905 4.081 1.00 0.00 O ATOM 0 H GLY A 24 -7.508 -10.998 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.581 -12.216 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.951 -11.811 5.412 1.00 0.00 H new ATOM 379 N HIS A 25 -5.948 -9.315 5.669 1.00 0.00 N ATOM 380 CA HIS A 25 -5.103 -8.397 4.919 1.00 0.00 C ATOM 381 C HIS A 25 -3.871 -7.970 5.711 1.00 0.00 C ATOM 382 O HIS A 25 -3.948 -7.694 6.908 1.00 0.00 O ATOM 383 CB HIS A 25 -5.904 -7.164 4.482 1.00 0.00 C ATOM 384 CG HIS A 25 -5.991 -7.044 2.997 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.913 -6.276 2.317 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.245 -7.654 2.055 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.698 -6.455 1.002 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.692 -7.285 0.804 1.00 0.00 N ATOM 0 H HIS A 25 -6.255 -8.965 6.576 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.755 -8.931 4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.909 -7.220 4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.438 -6.267 4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.424 -8.328 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.270 -5.984 0.216 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.319 -7.592 -0.094 1.00 0.00 H new ATOM 396 N GLU A 26 -2.736 -7.910 5.017 1.00 0.00 N ATOM 397 CA GLU A 26 -1.476 -7.505 5.628 1.00 0.00 C ATOM 398 C GLU A 26 -0.851 -6.367 4.828 1.00 0.00 C ATOM 399 O GLU A 26 0.088 -6.575 4.059 1.00 0.00 O ATOM 400 CB GLU A 26 -0.513 -8.693 5.702 1.00 0.00 C ATOM 401 CG GLU A 26 -0.374 -9.277 7.098 1.00 0.00 C ATOM 402 CD GLU A 26 -1.401 -10.356 7.381 1.00 0.00 C ATOM 403 OE1 GLU A 26 -1.114 -11.538 7.102 1.00 0.00 O ATOM 404 OE2 GLU A 26 -2.494 -10.019 7.883 1.00 0.00 O ATOM 0 H GLU A 26 -2.666 -8.139 4.025 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.674 -7.157 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.859 -9.473 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.469 -8.377 5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.627 -9.692 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.477 -8.480 7.834 1.00 0.00 H new ATOM 411 N PHE A 27 -1.392 -5.167 5.006 1.00 0.00 N ATOM 412 CA PHE A 27 -0.906 -3.990 4.295 1.00 0.00 C ATOM 413 C PHE A 27 0.503 -3.621 4.736 1.00 0.00 C ATOM 414 O PHE A 27 0.964 -4.037 5.796 1.00 0.00 O ATOM 415 CB PHE A 27 -1.853 -2.806 4.500 1.00 0.00 C ATOM 416 CG PHE A 27 -3.308 -3.183 4.479 1.00 0.00 C ATOM 417 CD1 PHE A 27 -3.986 -3.301 3.276 1.00 0.00 C ATOM 418 CD2 PHE A 27 -3.995 -3.420 5.657 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.323 -3.648 3.251 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.334 -3.765 5.639 1.00 0.00 C ATOM 421 CZ PHE A 27 -5.998 -3.880 4.433 1.00 0.00 C ATOM 0 H PHE A 27 -2.170 -4.983 5.639 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.875 -4.234 3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.624 -2.330 5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.668 -2.065 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.464 -3.120 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.479 -3.334 6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.840 -3.738 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.859 -3.944 6.565 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.043 -4.151 4.415 1.00 0.00 H new ATOM 431 N ILE A 28 1.186 -2.847 3.904 1.00 0.00 N ATOM 432 CA ILE A 28 2.550 -2.426 4.192 1.00 0.00 C ATOM 433 C ILE A 28 2.680 -0.910 4.095 1.00 0.00 C ATOM 434 O ILE A 28 2.227 -0.303 3.126 1.00 0.00 O ATOM 435 CB ILE A 28 3.549 -3.081 3.225 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.212 -4.569 3.039 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.978 -2.896 3.723 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.706 -5.459 4.160 1.00 0.00 C ATOM 0 H ILE A 28 0.816 -2.497 3.020 1.00 0.00 H new ATOM 0 HA ILE A 28 2.780 -2.745 5.209 1.00 0.00 H new ATOM 0 HB ILE A 28 3.470 -2.592 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.131 -4.678 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.643 -4.914 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.670 -3.367 3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.203 -1.832 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.084 -3.357 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.428 -6.493 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.791 -5.383 4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.255 -5.143 5.101 1.00 0.00 H new ATOM 450 N PRO A 29 3.298 -0.276 5.103 1.00 0.00 N ATOM 451 CA PRO A 29 3.476 1.176 5.128 1.00 0.00 C ATOM 452 C PRO A 29 4.477 1.657 4.090 1.00 0.00 C ATOM 453 O PRO A 29 5.663 1.332 4.160 1.00 0.00 O ATOM 454 CB PRO A 29 4.001 1.447 6.536 1.00 0.00 C ATOM 455 CG PRO A 29 4.652 0.176 6.955 1.00 0.00 C ATOM 456 CD PRO A 29 3.868 -0.926 6.298 1.00 0.00 C ATOM 0 HA PRO A 29 2.550 1.700 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.711 2.274 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.192 1.718 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.696 0.151 6.644 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.640 0.070 8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.506 -1.769 6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.089 -1.312 6.956 1.00 0.00 H new ATOM 464 N THR A 30 3.997 2.437 3.130 1.00 0.00 N ATOM 465 CA THR A 30 4.856 2.966 2.081 1.00 0.00 C ATOM 466 C THR A 30 4.258 4.226 1.466 1.00 0.00 C ATOM 467 O THR A 30 3.097 4.557 1.705 1.00 0.00 O ATOM 468 CB THR A 30 5.085 1.913 1.000 1.00 0.00 C ATOM 469 OG1 THR A 30 5.924 2.418 -0.024 1.00 0.00 O ATOM 470 CG2 THR A 30 3.804 1.438 0.351 1.00 0.00 C ATOM 0 H THR A 30 3.019 2.716 3.057 1.00 0.00 H new ATOM 0 HA THR A 30 5.814 3.227 2.531 1.00 0.00 H new ATOM 0 HB THR A 30 5.551 1.070 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.060 1.727 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.036 0.691 -0.408 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.155 0.997 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.297 2.283 -0.115 1.00 0.00 H new ATOM 478 N LEU A 31 5.062 4.927 0.671 1.00 0.00 N ATOM 479 CA LEU A 31 4.616 6.152 0.017 1.00 0.00 C ATOM 480 C LEU A 31 4.499 5.951 -1.489 1.00 0.00 C ATOM 481 O LEU A 31 5.117 5.049 -2.055 1.00 0.00 O ATOM 482 CB LEU A 31 5.587 7.294 0.318 1.00 0.00 C ATOM 483 CG LEU A 31 5.714 7.665 1.797 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.658 8.845 1.971 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.347 7.980 2.385 1.00 0.00 C ATOM 0 H LEU A 31 6.026 4.667 0.465 1.00 0.00 H new ATOM 0 HA LEU A 31 3.631 6.408 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.573 7.021 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.268 8.177 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 31 6.130 6.812 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.736 9.095 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.643 8.582 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.271 9.704 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.455 8.242 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.903 8.817 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.701 7.107 2.293 1.00 0.00 H new ATOM 497 N TYR A 32 3.703 6.798 -2.135 1.00 0.00 N ATOM 498 CA TYR A 32 3.506 6.710 -3.578 1.00 0.00 C ATOM 499 C TYR A 32 3.564 8.093 -4.219 1.00 0.00 C ATOM 500 O TYR A 32 2.714 8.946 -3.958 1.00 0.00 O ATOM 501 CB TYR A 32 2.166 6.041 -3.890 1.00 0.00 C ATOM 502 CG TYR A 32 2.171 4.548 -3.660 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.927 3.705 -4.464 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.421 3.981 -2.637 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.935 2.339 -4.256 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.424 2.616 -2.422 1.00 0.00 C ATOM 507 CZ TYR A 32 2.183 1.800 -3.234 1.00 0.00 C ATOM 508 OH TYR A 32 2.190 0.440 -3.023 1.00 0.00 O ATOM 0 H TYR A 32 3.185 7.552 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 32 4.310 6.104 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.390 6.493 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.903 6.240 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.518 4.124 -5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.826 4.618 -1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.527 1.697 -4.891 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.835 2.191 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 32 2.999 0.190 -2.529 1.00 0.00 H new ATOM 518 N HIS A 33 4.572 8.309 -5.057 1.00 0.00 N ATOM 519 CA HIS A 33 4.745 9.589 -5.735 1.00 0.00 C ATOM 520 C HIS A 33 3.939 9.643 -7.031 1.00 0.00 C ATOM 521 O HIS A 33 3.653 10.722 -7.548 1.00 0.00 O ATOM 522 CB HIS A 33 6.227 9.834 -6.030 1.00 0.00 C ATOM 523 CG HIS A 33 6.806 10.987 -5.269 1.00 0.00 C ATOM 524 ND1 HIS A 33 7.725 10.831 -4.252 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.595 12.319 -5.381 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.051 12.018 -3.772 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.380 12.938 -4.440 1.00 0.00 N ATOM 0 H HIS A 33 5.283 7.613 -5.283 1.00 0.00 H new ATOM 0 HA HIS A 33 4.376 10.372 -5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.791 8.932 -5.791 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.352 10.015 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.932 12.805 -6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.749 12.204 -2.969 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.436 13.944 -4.283 1.00 0.00 H new ATOM 536 N PHE A 34 3.572 8.475 -7.552 1.00 0.00 N ATOM 537 CA PHE A 34 2.799 8.400 -8.787 1.00 0.00 C ATOM 538 C PHE A 34 1.332 8.101 -8.494 1.00 0.00 C ATOM 539 O PHE A 34 0.992 7.621 -7.411 1.00 0.00 O ATOM 540 CB PHE A 34 3.374 7.329 -9.723 1.00 0.00 C ATOM 541 CG PHE A 34 3.903 6.116 -9.012 1.00 0.00 C ATOM 542 CD1 PHE A 34 3.036 5.218 -8.411 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.264 5.875 -8.947 1.00 0.00 C ATOM 544 CE1 PHE A 34 3.520 4.100 -7.757 1.00 0.00 C ATOM 545 CE2 PHE A 34 5.755 4.759 -8.293 1.00 0.00 C ATOM 546 CZ PHE A 34 4.880 3.871 -7.698 1.00 0.00 C ATOM 0 H PHE A 34 3.797 7.570 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 34 2.865 9.370 -9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.598 7.018 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.177 7.770 -10.313 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.971 5.393 -8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.951 6.566 -9.412 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.835 3.406 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.820 4.583 -8.248 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.260 2.998 -7.187 1.00 0.00 H new ATOM 556 N PRO A 35 0.439 8.382 -9.458 1.00 0.00 N ATOM 557 CA PRO A 35 -0.999 8.144 -9.298 1.00 0.00 C ATOM 558 C PRO A 35 -1.314 6.690 -8.954 1.00 0.00 C ATOM 559 O PRO A 35 -1.099 5.789 -9.765 1.00 0.00 O ATOM 560 CB PRO A 35 -1.591 8.510 -10.669 1.00 0.00 C ATOM 561 CG PRO A 35 -0.428 8.547 -11.603 1.00 0.00 C ATOM 562 CD PRO A 35 0.754 8.953 -10.774 1.00 0.00 C ATOM 0 HA PRO A 35 -1.412 8.729 -8.476 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.328 7.774 -10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.098 9.474 -10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.266 7.572 -12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.600 9.257 -12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.686 8.555 -11.175 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.864 10.037 -10.729 1.00 0.00 H new ATOM 570 N THR A 36 -1.824 6.475 -7.746 1.00 0.00 N ATOM 571 CA THR A 36 -2.175 5.137 -7.288 1.00 0.00 C ATOM 572 C THR A 36 -3.636 5.100 -6.840 1.00 0.00 C ATOM 573 O THR A 36 -4.061 5.906 -6.012 1.00 0.00 O ATOM 574 CB THR A 36 -1.238 4.708 -6.151 1.00 0.00 C ATOM 575 OG1 THR A 36 -0.069 4.102 -6.672 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.859 3.730 -5.174 1.00 0.00 C ATOM 0 H THR A 36 -2.004 7.213 -7.065 1.00 0.00 H new ATOM 0 HA THR A 36 -2.056 4.433 -8.112 1.00 0.00 H new ATOM 0 HB THR A 36 -1.012 5.628 -5.613 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.518 3.836 -5.934 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.133 3.477 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.736 4.184 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.155 2.825 -5.704 1.00 0.00 H new ATOM 584 N ASN A 37 -4.399 4.167 -7.398 1.00 0.00 N ATOM 585 CA ASN A 37 -5.811 4.034 -7.062 1.00 0.00 C ATOM 586 C ASN A 37 -6.002 3.197 -5.801 1.00 0.00 C ATOM 587 O ASN A 37 -5.594 2.037 -5.746 1.00 0.00 O ATOM 588 CB ASN A 37 -6.576 3.401 -8.226 1.00 0.00 C ATOM 589 CG ASN A 37 -6.237 4.042 -9.559 1.00 0.00 C ATOM 590 OD1 ASN A 37 -5.813 5.197 -9.615 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.422 3.293 -10.640 1.00 0.00 N ATOM 0 H ASN A 37 -4.063 3.492 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.205 5.033 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.349 2.336 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.647 3.491 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.211 3.670 -11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.775 2.341 -10.546 1.00 0.00 H new ATOM 598 N CYS A 38 -6.632 3.792 -4.793 1.00 0.00 N ATOM 599 CA CYS A 38 -6.886 3.100 -3.535 1.00 0.00 C ATOM 600 C CYS A 38 -8.019 2.085 -3.709 1.00 0.00 C ATOM 601 O CYS A 38 -8.910 2.273 -4.535 1.00 0.00 O ATOM 602 CB CYS A 38 -7.213 4.120 -2.429 1.00 0.00 C ATOM 603 SG CYS A 38 -8.883 3.969 -1.698 1.00 0.00 S ATOM 0 H CYS A 38 -6.976 4.752 -4.823 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.990 2.554 -3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.475 4.018 -1.633 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.103 5.124 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.779 4.220 -2.606 1.00 0.00 H new ATOM 608 N GLU A 39 -7.969 1.009 -2.931 1.00 0.00 N ATOM 609 CA GLU A 39 -8.986 -0.035 -3.006 1.00 0.00 C ATOM 610 C GLU A 39 -10.216 0.322 -2.173 1.00 0.00 C ATOM 611 O GLU A 39 -11.327 -0.117 -2.473 1.00 0.00 O ATOM 612 CB GLU A 39 -8.406 -1.371 -2.532 1.00 0.00 C ATOM 613 CG GLU A 39 -8.092 -2.333 -3.667 1.00 0.00 C ATOM 614 CD GLU A 39 -9.342 -2.867 -4.340 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.369 -3.023 -3.646 1.00 0.00 O ATOM 616 OE2 GLU A 39 -9.294 -3.127 -5.560 1.00 0.00 O ATOM 0 H GLU A 39 -7.237 0.837 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.297 -0.123 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.495 -1.182 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.113 -1.844 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.473 -1.826 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.507 -3.167 -3.280 1.00 0.00 H new ATOM 623 N ALA A 40 -10.014 1.112 -1.123 1.00 0.00 N ATOM 624 CA ALA A 40 -11.111 1.514 -0.249 1.00 0.00 C ATOM 625 C ALA A 40 -12.060 2.489 -0.951 1.00 0.00 C ATOM 626 O ALA A 40 -12.993 2.068 -1.637 1.00 0.00 O ATOM 627 CB ALA A 40 -10.565 2.113 1.039 1.00 0.00 C ATOM 0 H ALA A 40 -9.103 1.486 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.689 0.624 -0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.394 2.409 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.952 1.373 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.957 2.987 0.805 1.00 0.00 H new ATOM 633 N CYS A 41 -11.828 3.791 -0.776 1.00 0.00 N ATOM 634 CA CYS A 41 -12.676 4.806 -1.395 1.00 0.00 C ATOM 635 C CYS A 41 -12.328 4.988 -2.870 1.00 0.00 C ATOM 636 O CYS A 41 -11.339 4.442 -3.358 1.00 0.00 O ATOM 637 CB CYS A 41 -12.546 6.141 -0.649 1.00 0.00 C ATOM 638 SG CYS A 41 -11.005 7.060 -0.992 1.00 0.00 S ATOM 0 H CYS A 41 -11.063 4.164 -0.213 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.710 4.466 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.395 6.772 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.609 5.951 0.422 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.059 6.222 -1.298 1.00 0.00 H new ATOM 643 N MET A 42 -13.151 5.760 -3.570 1.00 0.00 N ATOM 644 CA MET A 42 -12.935 6.018 -4.991 1.00 0.00 C ATOM 645 C MET A 42 -11.869 7.091 -5.194 1.00 0.00 C ATOM 646 O MET A 42 -11.237 7.157 -6.249 1.00 0.00 O ATOM 647 CB MET A 42 -14.244 6.451 -5.655 1.00 0.00 C ATOM 648 CG MET A 42 -15.394 5.485 -5.418 1.00 0.00 C ATOM 649 SD MET A 42 -16.980 6.324 -5.242 1.00 0.00 S ATOM 650 CE MET A 42 -17.547 5.653 -3.682 1.00 0.00 C ATOM 0 H MET A 42 -13.974 6.218 -3.178 1.00 0.00 H new ATOM 0 HA MET A 42 -12.587 5.095 -5.454 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.524 7.435 -5.280 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.081 6.553 -6.728 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.450 4.782 -6.249 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.194 4.902 -4.519 1.00 0.00 H new ATOM 0 HE1 MET A 42 -18.520 6.078 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 42 -17.634 4.569 -3.762 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.833 5.903 -2.897 1.00 0.00 H new ATOM 660 N LYS A 43 -11.674 7.931 -4.182 1.00 0.00 N ATOM 661 CA LYS A 43 -10.683 9.001 -4.253 1.00 0.00 C ATOM 662 C LYS A 43 -9.306 8.446 -4.615 1.00 0.00 C ATOM 663 O LYS A 43 -8.963 7.324 -4.245 1.00 0.00 O ATOM 664 CB LYS A 43 -10.615 9.749 -2.919 1.00 0.00 C ATOM 665 CG LYS A 43 -10.779 11.254 -3.057 1.00 0.00 C ATOM 666 CD LYS A 43 -9.504 11.995 -2.680 1.00 0.00 C ATOM 667 CE LYS A 43 -9.519 13.429 -3.184 1.00 0.00 C ATOM 668 NZ LYS A 43 -9.660 14.408 -2.072 1.00 0.00 N ATOM 0 H LYS A 43 -12.189 7.892 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.988 9.696 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.392 9.366 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.658 9.538 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.052 11.498 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.598 11.591 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.387 11.991 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.642 11.472 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.598 13.631 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.342 13.558 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.666 15.374 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.551 14.232 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.862 14.303 -1.414 1.00 0.00 H new ATOM 682 N PRO A 44 -8.496 9.230 -5.350 1.00 0.00 N ATOM 683 CA PRO A 44 -7.154 8.811 -5.761 1.00 0.00 C ATOM 684 C PRO A 44 -6.172 8.766 -4.596 1.00 0.00 C ATOM 685 O PRO A 44 -6.344 9.469 -3.599 1.00 0.00 O ATOM 686 CB PRO A 44 -6.739 9.884 -6.768 1.00 0.00 C ATOM 687 CG PRO A 44 -7.518 11.091 -6.374 1.00 0.00 C ATOM 688 CD PRO A 44 -8.827 10.583 -5.837 1.00 0.00 C ATOM 0 HA PRO A 44 -7.153 7.800 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.666 10.073 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.969 9.580 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.985 11.670 -5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.676 11.749 -7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.205 11.217 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.595 10.555 -6.610 1.00 0.00 H new ATOM 696 N LEU A 45 -5.143 7.938 -4.729 1.00 0.00 N ATOM 697 CA LEU A 45 -4.128 7.800 -3.691 1.00 0.00 C ATOM 698 C LEU A 45 -2.740 8.107 -4.247 1.00 0.00 C ATOM 699 O LEU A 45 -2.143 7.280 -4.936 1.00 0.00 O ATOM 700 CB LEU A 45 -4.158 6.385 -3.106 1.00 0.00 C ATOM 701 CG LEU A 45 -3.391 6.208 -1.792 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.711 4.864 -1.161 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.896 6.340 -2.028 1.00 0.00 C ATOM 0 H LEU A 45 -4.989 7.350 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.349 8.516 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.197 6.098 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.748 5.695 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.705 6.993 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.156 4.758 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.780 4.804 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.427 4.064 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.366 6.212 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.570 5.576 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.678 7.327 -2.435 1.00 0.00 H new ATOM 715 N TRP A 46 -2.229 9.299 -3.943 1.00 0.00 N ATOM 716 CA TRP A 46 -0.906 9.713 -4.409 1.00 0.00 C ATOM 717 C TRP A 46 -0.607 11.154 -4.009 1.00 0.00 C ATOM 718 O TRP A 46 -1.407 11.803 -3.333 1.00 0.00 O ATOM 719 CB TRP A 46 -0.797 9.573 -5.931 1.00 0.00 C ATOM 720 CG TRP A 46 -1.783 10.413 -6.681 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.125 10.516 -6.443 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.507 11.272 -7.794 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.698 11.384 -7.341 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.726 11.862 -8.179 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.347 11.600 -8.501 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.818 12.760 -9.241 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.439 12.491 -9.555 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.666 13.062 -9.915 1.00 0.00 C ATOM 0 H TRP A 46 -2.711 9.996 -3.376 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.174 9.058 -3.936 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.211 9.846 -6.242 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.942 8.527 -6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.657 9.992 -5.663 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.687 11.632 -7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.604 11.166 -8.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.763 13.201 -9.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.451 12.751 -10.110 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.704 13.755 -10.742 1.00 0.00 H new ATOM 739 N HIS A 47 0.553 11.647 -4.435 1.00 0.00 N ATOM 740 CA HIS A 47 0.970 13.012 -4.131 1.00 0.00 C ATOM 741 C HIS A 47 2.360 13.286 -4.700 1.00 0.00 C ATOM 742 O HIS A 47 3.277 12.481 -4.535 1.00 0.00 O ATOM 743 CB HIS A 47 0.963 13.249 -2.618 1.00 0.00 C ATOM 744 CG HIS A 47 0.005 14.316 -2.185 1.00 0.00 C ATOM 745 ND1 HIS A 47 -1.277 14.421 -2.680 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.148 15.328 -1.297 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.882 15.452 -2.117 1.00 0.00 C ATOM 748 NE2 HIS A 47 -1.039 16.019 -1.274 1.00 0.00 N ATOM 0 H HIS A 47 1.223 11.119 -4.994 1.00 0.00 H new ATOM 0 HA HIS A 47 0.262 13.698 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.709 12.317 -2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.968 13.522 -2.296 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.694 13.800 -3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.030 15.550 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.894 15.776 -2.313 1.00 0.00 H new ATOM 757 N MET A 48 2.508 14.423 -5.370 1.00 0.00 N ATOM 758 CA MET A 48 3.785 14.797 -5.967 1.00 0.00 C ATOM 759 C MET A 48 4.683 15.497 -4.950 1.00 0.00 C ATOM 760 O MET A 48 5.881 15.223 -4.874 1.00 0.00 O ATOM 761 CB MET A 48 3.561 15.708 -7.176 1.00 0.00 C ATOM 762 CG MET A 48 2.473 15.214 -8.115 1.00 0.00 C ATOM 763 SD MET A 48 1.811 16.527 -9.159 1.00 0.00 S ATOM 764 CE MET A 48 0.755 17.386 -7.995 1.00 0.00 C ATOM 0 H MET A 48 1.760 15.102 -5.514 1.00 0.00 H new ATOM 0 HA MET A 48 4.282 13.884 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.301 16.707 -6.825 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.495 15.798 -7.731 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.875 14.421 -8.746 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.664 14.777 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.228 17.540 -8.440 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.653 16.790 -7.088 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.196 18.351 -7.747 1.00 0.00 H new ATOM 774 N PHE A 49 4.097 16.402 -4.175 1.00 0.00 N ATOM 775 CA PHE A 49 4.846 17.144 -3.167 1.00 0.00 C ATOM 776 C PHE A 49 5.162 16.264 -1.961 1.00 0.00 C ATOM 777 O PHE A 49 6.295 15.815 -1.789 1.00 0.00 O ATOM 778 CB PHE A 49 4.058 18.376 -2.719 1.00 0.00 C ATOM 779 CG PHE A 49 3.937 19.430 -3.783 1.00 0.00 C ATOM 780 CD1 PHE A 49 2.995 19.308 -4.794 1.00 0.00 C ATOM 781 CD2 PHE A 49 4.764 20.542 -3.774 1.00 0.00 C ATOM 782 CE1 PHE A 49 2.881 20.275 -5.774 1.00 0.00 C ATOM 783 CE2 PHE A 49 4.654 21.512 -4.752 1.00 0.00 C ATOM 784 CZ PHE A 49 3.711 21.379 -5.752 1.00 0.00 C ATOM 0 H PHE A 49 3.106 16.640 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 49 5.786 17.464 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.060 18.066 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.542 18.809 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.343 18.447 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.503 20.652 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.144 20.168 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.305 22.374 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.623 22.137 -6.516 1.00 0.00 H new ATOM 794 N LYS A 50 4.155 16.027 -1.126 1.00 0.00 N ATOM 795 CA LYS A 50 4.330 15.206 0.067 1.00 0.00 C ATOM 796 C LYS A 50 3.421 13.980 0.027 1.00 0.00 C ATOM 797 O LYS A 50 2.255 14.052 0.415 1.00 0.00 O ATOM 798 CB LYS A 50 4.036 16.030 1.321 1.00 0.00 C ATOM 799 CG LYS A 50 5.119 17.044 1.652 1.00 0.00 C ATOM 800 CD LYS A 50 6.226 16.426 2.493 1.00 0.00 C ATOM 801 CE LYS A 50 6.419 17.176 3.801 1.00 0.00 C ATOM 802 NZ LYS A 50 7.856 17.261 4.186 1.00 0.00 N ATOM 0 H LYS A 50 3.211 16.391 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 50 5.365 14.865 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.089 16.553 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.911 15.355 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.541 17.441 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.679 17.885 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.986 15.384 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.159 16.431 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.008 18.181 3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.860 16.676 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.945 17.780 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.242 16.302 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.385 17.761 3.443 1.00 0.00 H new ATOM 816 N PRO A 51 3.943 12.831 -0.439 1.00 0.00 N ATOM 817 CA PRO A 51 3.165 11.590 -0.522 1.00 0.00 C ATOM 818 C PRO A 51 2.721 11.099 0.855 1.00 0.00 C ATOM 819 O PRO A 51 3.550 10.851 1.731 1.00 0.00 O ATOM 820 CB PRO A 51 4.137 10.590 -1.159 1.00 0.00 C ATOM 821 CG PRO A 51 5.493 11.159 -0.916 1.00 0.00 C ATOM 822 CD PRO A 51 5.323 12.650 -0.920 1.00 0.00 C ATOM 0 HA PRO A 51 2.246 11.724 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.037 9.602 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.943 10.476 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.896 10.815 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.193 10.844 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.045 13.140 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.460 13.069 -1.917 1.00 0.00 H new ATOM 830 N PRO A 52 1.401 10.956 1.066 1.00 0.00 N ATOM 831 CA PRO A 52 0.851 10.496 2.346 1.00 0.00 C ATOM 832 C PRO A 52 1.195 9.037 2.633 1.00 0.00 C ATOM 833 O PRO A 52 1.492 8.269 1.718 1.00 0.00 O ATOM 834 CB PRO A 52 -0.660 10.663 2.168 1.00 0.00 C ATOM 835 CG PRO A 52 -0.878 10.617 0.696 1.00 0.00 C ATOM 836 CD PRO A 52 0.342 11.233 0.078 1.00 0.00 C ATOM 0 HA PRO A 52 1.258 11.057 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.208 9.868 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.006 11.607 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.013 9.591 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.777 11.167 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.570 10.789 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.214 12.303 -0.084 1.00 0.00 H new ATOM 844 N PRO A 53 1.157 8.634 3.915 1.00 0.00 N ATOM 845 CA PRO A 53 1.464 7.259 4.319 1.00 0.00 C ATOM 846 C PRO A 53 0.447 6.261 3.777 1.00 0.00 C ATOM 847 O PRO A 53 -0.592 6.029 4.387 1.00 0.00 O ATOM 848 CB PRO A 53 1.401 7.308 5.849 1.00 0.00 C ATOM 849 CG PRO A 53 0.549 8.489 6.161 1.00 0.00 C ATOM 850 CD PRO A 53 0.809 9.485 5.067 1.00 0.00 C ATOM 0 HA PRO A 53 2.428 6.928 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.971 6.393 6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.396 7.413 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.505 8.212 6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.801 8.906 7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.069 10.099 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.621 10.165 5.326 1.00 0.00 H new ATOM 858 N ALA A 54 0.756 5.674 2.626 1.00 0.00 N ATOM 859 CA ALA A 54 -0.131 4.703 2.000 1.00 0.00 C ATOM 860 C ALA A 54 0.196 3.289 2.462 1.00 0.00 C ATOM 861 O ALA A 54 1.289 3.025 2.961 1.00 0.00 O ATOM 862 CB ALA A 54 -0.035 4.800 0.486 1.00 0.00 C ATOM 0 H ALA A 54 1.616 5.855 2.108 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.153 4.931 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.703 4.069 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.322 5.802 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.990 4.599 0.173 1.00 0.00 H new ATOM 868 N LEU A 55 -0.759 2.381 2.291 1.00 0.00 N ATOM 869 CA LEU A 55 -0.568 0.993 2.693 1.00 0.00 C ATOM 870 C LEU A 55 -0.774 0.051 1.513 1.00 0.00 C ATOM 871 O LEU A 55 -1.870 -0.043 0.962 1.00 0.00 O ATOM 872 CB LEU A 55 -1.527 0.627 3.826 1.00 0.00 C ATOM 873 CG LEU A 55 -1.574 1.624 4.985 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.583 1.172 6.030 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.195 1.783 5.608 1.00 0.00 C ATOM 0 H LEU A 55 -1.670 2.581 1.878 1.00 0.00 H new ATOM 0 HA LEU A 55 0.457 0.884 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.531 0.526 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.244 -0.350 4.219 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.888 2.593 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.606 1.891 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.572 1.107 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.295 0.193 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.247 2.496 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.148 0.819 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.504 2.148 4.856 1.00 0.00 H new ATOM 887 N GLU A 56 0.291 -0.648 1.132 1.00 0.00 N ATOM 888 CA GLU A 56 0.233 -1.586 0.017 1.00 0.00 C ATOM 889 C GLU A 56 0.155 -3.025 0.517 1.00 0.00 C ATOM 890 O GLU A 56 0.890 -3.416 1.424 1.00 0.00 O ATOM 891 CB GLU A 56 1.459 -1.417 -0.883 1.00 0.00 C ATOM 892 CG GLU A 56 1.291 -2.031 -2.263 1.00 0.00 C ATOM 893 CD GLU A 56 2.617 -2.328 -2.934 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.588 -2.649 -2.217 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.687 -2.236 -4.179 1.00 0.00 O ATOM 0 H GLU A 56 1.205 -0.582 1.580 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.667 -1.370 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.676 -0.354 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.322 -1.870 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.716 -2.953 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.714 -1.352 -2.891 1.00 0.00 H new ATOM 902 N CYS A 57 -0.734 -3.812 -0.079 1.00 0.00 N ATOM 903 CA CYS A 57 -0.898 -5.206 0.309 1.00 0.00 C ATOM 904 C CYS A 57 0.249 -6.052 -0.236 1.00 0.00 C ATOM 905 O CYS A 57 0.631 -5.920 -1.398 1.00 0.00 O ATOM 906 CB CYS A 57 -2.240 -5.750 -0.193 1.00 0.00 C ATOM 907 SG CYS A 57 -2.502 -7.522 0.141 1.00 0.00 S ATOM 0 H CYS A 57 -1.351 -3.508 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.885 -5.261 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.046 -5.182 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.308 -5.581 -1.268 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.494 -7.990 0.816 1.00 0.00 H new ATOM 912 N ARG A 58 0.791 -6.919 0.611 1.00 0.00 N ATOM 913 CA ARG A 58 1.892 -7.785 0.212 1.00 0.00 C ATOM 914 C ARG A 58 1.374 -9.147 -0.246 1.00 0.00 C ATOM 915 O ARG A 58 2.052 -10.165 -0.099 1.00 0.00 O ATOM 916 CB ARG A 58 2.878 -7.954 1.372 1.00 0.00 C ATOM 917 CG ARG A 58 2.276 -8.630 2.593 1.00 0.00 C ATOM 918 CD ARG A 58 3.295 -8.771 3.713 1.00 0.00 C ATOM 919 NE ARG A 58 3.318 -10.124 4.265 1.00 0.00 N ATOM 920 CZ ARG A 58 3.865 -11.168 3.646 1.00 0.00 C ATOM 921 NH1 ARG A 58 4.433 -11.020 2.457 1.00 0.00 N ATOM 922 NH2 ARG A 58 3.843 -12.363 4.220 1.00 0.00 N ATOM 0 H ARG A 58 0.486 -7.040 1.577 1.00 0.00 H new ATOM 0 HA ARG A 58 2.409 -7.318 -0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.732 -8.538 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.257 -6.974 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.423 -8.051 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.900 -9.615 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.286 -8.516 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.063 -8.060 4.506 1.00 0.00 H new ATOM 0 HE ARG A 58 2.890 -10.277 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.452 -10.103 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.850 -11.824 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.407 -12.481 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.262 -13.164 3.747 1.00 0.00 H new ATOM 936 N ARG A 59 0.166 -9.154 -0.806 1.00 0.00 N ATOM 937 CA ARG A 59 -0.452 -10.381 -1.293 1.00 0.00 C ATOM 938 C ARG A 59 -1.088 -10.164 -2.669 1.00 0.00 C ATOM 939 O ARG A 59 -0.540 -10.585 -3.686 1.00 0.00 O ATOM 940 CB ARG A 59 -1.505 -10.877 -0.298 1.00 0.00 C ATOM 941 CG ARG A 59 -0.969 -11.069 1.113 1.00 0.00 C ATOM 942 CD ARG A 59 -1.799 -10.317 2.142 1.00 0.00 C ATOM 943 NE ARG A 59 -2.438 -11.219 3.095 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.789 -11.838 4.080 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.485 -11.650 4.244 1.00 0.00 N ATOM 946 NH2 ARG A 59 -2.446 -12.644 4.902 1.00 0.00 N ATOM 0 H ARG A 59 -0.405 -8.318 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 59 0.327 -11.137 -1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.330 -10.165 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.912 -11.823 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.963 -12.131 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.064 -10.725 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.161 -9.615 2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.562 -9.729 1.632 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.440 -11.385 3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.024 -11.030 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.008 -12.126 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.448 -12.790 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.949 -13.118 5.656 1.00 0.00 H new ATOM 960 N CYS A 60 -2.247 -9.503 -2.693 1.00 0.00 N ATOM 961 CA CYS A 60 -2.948 -9.232 -3.946 1.00 0.00 C ATOM 962 C CYS A 60 -2.487 -7.915 -4.573 1.00 0.00 C ATOM 963 O CYS A 60 -2.905 -7.568 -5.677 1.00 0.00 O ATOM 964 CB CYS A 60 -4.463 -9.194 -3.715 1.00 0.00 C ATOM 965 SG CYS A 60 -5.044 -7.759 -2.752 1.00 0.00 S ATOM 0 H CYS A 60 -2.717 -9.147 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.709 -10.040 -4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.966 -9.194 -4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.762 -10.107 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.223 -7.535 -1.769 1.00 0.00 H new ATOM 970 N HIS A 61 -1.626 -7.185 -3.865 1.00 0.00 N ATOM 971 CA HIS A 61 -1.111 -5.911 -4.356 1.00 0.00 C ATOM 972 C HIS A 61 -2.217 -4.865 -4.455 1.00 0.00 C ATOM 973 O HIS A 61 -2.889 -4.748 -5.481 1.00 0.00 O ATOM 974 CB HIS A 61 -0.436 -6.093 -5.719 1.00 0.00 C ATOM 975 CG HIS A 61 1.011 -6.465 -5.624 1.00 0.00 C ATOM 976 ND1 HIS A 61 2.029 -5.650 -6.072 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.610 -7.574 -5.127 1.00 0.00 C ATOM 978 CE1 HIS A 61 3.191 -6.240 -5.857 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.964 -7.408 -5.283 1.00 0.00 N ATOM 0 H HIS A 61 -1.271 -7.456 -2.948 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.371 -5.556 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.965 -6.865 -6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.529 -5.168 -6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.115 -8.429 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.161 -5.837 -6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.679 -8.078 -5.001 1.00 0.00 H new ATOM 988 N ILE A 62 -2.390 -4.099 -3.382 1.00 0.00 N ATOM 989 CA ILE A 62 -3.401 -3.048 -3.334 1.00 0.00 C ATOM 990 C ILE A 62 -2.968 -1.943 -2.385 1.00 0.00 C ATOM 991 O ILE A 62 -2.495 -2.213 -1.282 1.00 0.00 O ATOM 992 CB ILE A 62 -4.770 -3.588 -2.882 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.654 -4.280 -1.523 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.324 -4.543 -3.922 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.803 -3.968 -0.587 1.00 0.00 C ATOM 0 H ILE A 62 -1.839 -4.188 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.502 -2.655 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.458 -2.749 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.603 -5.358 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.719 -3.980 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.292 -4.919 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.442 -4.019 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.636 -5.378 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.655 -4.492 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.842 -2.894 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.740 -4.293 -1.040 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.118 -0.698 -2.815 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.718 0.431 -1.987 1.00 0.00 C ATOM 1009 C LYS A 63 -3.915 1.087 -1.311 1.00 0.00 C ATOM 1010 O LYS A 63 -5.014 1.127 -1.865 1.00 0.00 O ATOM 1011 CB LYS A 63 -1.959 1.465 -2.816 1.00 0.00 C ATOM 1012 CG LYS A 63 -1.042 0.855 -3.865 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.733 0.742 -5.216 1.00 0.00 C ATOM 1014 CE LYS A 63 -1.823 -0.703 -5.679 1.00 0.00 C ATOM 1015 NZ LYS A 63 -0.590 -1.136 -6.392 1.00 0.00 N ATOM 0 H LYS A 63 -3.509 -0.446 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.061 0.043 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.677 2.119 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.367 2.090 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.145 1.466 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.720 -0.133 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.735 1.167 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.187 1.328 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.991 -1.350 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.683 -0.820 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.692 -2.127 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.443 -0.535 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.228 -1.049 -5.755 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.686 1.607 -0.109 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.730 2.272 0.657 1.00 0.00 C ATOM 1031 C CYS A 64 -4.120 3.211 1.695 1.00 0.00 C ATOM 1032 O CYS A 64 -3.315 2.789 2.525 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.620 1.242 1.351 1.00 0.00 C ATOM 1034 SG CYS A 64 -6.890 0.520 0.288 1.00 0.00 S ATOM 0 H CYS A 64 -2.779 1.579 0.357 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.337 2.858 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.992 0.441 1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.104 1.714 2.206 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.388 0.282 -0.887 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.501 4.484 1.642 1.00 0.00 N ATOM 1041 CA HIS A 65 -3.981 5.483 2.584 1.00 0.00 C ATOM 1042 C HIS A 65 -4.034 4.964 4.009 1.00 0.00 C ATOM 1043 O HIS A 65 -5.031 4.385 4.436 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.761 6.810 2.526 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.734 6.911 1.396 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.569 7.676 0.261 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.907 6.284 1.255 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.649 7.478 -0.521 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.490 6.632 0.049 1.00 0.00 N ATOM 0 H HIS A 65 -5.165 4.852 0.961 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.949 5.668 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.299 6.941 3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.049 7.632 2.450 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.775 8.281 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.337 5.605 1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.806 7.946 -1.481 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.969 5.213 4.753 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.909 4.810 6.146 1.00 0.00 C ATOM 1059 C LYS A 66 -4.153 5.315 6.867 1.00 0.00 C ATOM 1060 O LYS A 66 -4.636 4.697 7.817 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.643 5.363 6.805 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.570 5.101 8.303 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.266 4.418 8.689 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.494 2.977 9.117 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.361 2.601 10.277 1.00 0.00 N ATOM 0 H LYS A 66 -2.135 5.692 4.415 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.875 3.722 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.771 4.920 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.592 6.438 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.661 6.044 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.411 4.478 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.422 4.443 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.207 4.969 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.543 2.838 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.283 2.312 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.176 1.612 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.363 2.710 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.142 3.219 11.084 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.664 6.454 6.397 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.853 7.067 6.976 1.00 0.00 C ATOM 1081 C ASP A 67 -7.003 6.070 7.087 1.00 0.00 C ATOM 1082 O ASP A 67 -7.674 6.007 8.117 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.288 8.270 6.137 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.239 9.364 6.107 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.035 9.035 6.172 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -5.620 10.549 6.019 1.00 0.00 O ATOM 0 H ASP A 67 -4.268 6.971 5.612 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.597 7.398 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.497 7.943 5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.218 8.673 6.539 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.240 5.293 6.028 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.336 4.312 6.053 1.00 0.00 C ATOM 1093 C HIS A 68 -8.185 3.357 7.234 1.00 0.00 C ATOM 1094 O HIS A 68 -9.159 3.047 7.921 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.411 3.510 4.748 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.032 4.271 3.619 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.084 5.150 3.767 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.671 4.335 2.317 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.318 5.715 2.573 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.485 5.255 1.660 1.00 0.00 N ATOM 0 H HIS A 68 -6.704 5.318 5.160 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.263 4.874 6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.405 3.203 4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -8.985 2.600 4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.877 3.763 1.859 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.087 6.450 2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.445 5.519 0.675 1.00 0.00 H new ATOM 1108 N MET A 69 -6.961 2.895 7.465 1.00 0.00 N ATOM 1109 CA MET A 69 -6.688 1.977 8.565 1.00 0.00 C ATOM 1110 C MET A 69 -6.803 2.687 9.911 1.00 0.00 C ATOM 1111 O MET A 69 -7.523 2.236 10.802 1.00 0.00 O ATOM 1112 CB MET A 69 -5.294 1.365 8.412 1.00 0.00 C ATOM 1113 CG MET A 69 -4.910 0.430 9.547 1.00 0.00 C ATOM 1114 SD MET A 69 -5.828 -1.123 9.510 1.00 0.00 S ATOM 1115 CE MET A 69 -5.440 -1.708 7.862 1.00 0.00 C ATOM 0 H MET A 69 -6.144 3.140 6.907 1.00 0.00 H new ATOM 0 HA MET A 69 -7.432 1.181 8.533 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.248 0.817 7.471 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.559 2.168 8.350 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.842 0.218 9.492 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.087 0.929 10.500 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.291 -2.788 7.885 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.263 -1.469 7.188 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.530 -1.224 7.509 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.086 3.796 10.053 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.105 4.568 11.293 1.00 0.00 C ATOM 1127 C ASP A 70 -7.529 4.974 11.664 1.00 0.00 C ATOM 1128 O ASP A 70 -7.857 5.120 12.841 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.226 5.813 11.156 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.378 6.061 12.388 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.063 5.082 13.098 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -4.030 7.233 12.644 1.00 0.00 O ATOM 0 H ASP A 70 -5.484 4.182 9.326 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.710 3.937 12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.577 5.702 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.858 6.682 10.972 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.371 5.155 10.651 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.759 5.543 10.872 1.00 0.00 C ATOM 1139 C LYS A 71 -10.656 4.318 11.027 1.00 0.00 C ATOM 1140 O LYS A 71 -11.755 4.410 11.574 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.256 6.412 9.715 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.537 7.747 9.604 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.405 8.892 10.104 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.577 10.130 10.404 1.00 0.00 C ATOM 1145 NZ LYS A 71 -10.310 11.093 11.271 1.00 0.00 N ATOM 0 H LYS A 71 -8.116 5.039 9.670 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.804 6.118 11.797 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.133 5.864 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.324 6.593 9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.612 7.712 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.259 7.926 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.160 9.131 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.936 8.581 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.648 9.836 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.304 10.619 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.710 11.923 11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.184 11.394 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.549 10.635 12.174 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.185 3.174 10.541 1.00 0.00 N ATOM 1160 CA LYS A 72 -10.952 1.936 10.629 1.00 0.00 C ATOM 1161 C LYS A 72 -12.255 2.053 9.845 1.00 0.00 C ATOM 1162 O LYS A 72 -13.344 2.015 10.416 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.244 1.596 12.093 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.285 0.577 12.686 1.00 0.00 C ATOM 1165 CD LYS A 72 -10.428 -0.781 12.015 1.00 0.00 C ATOM 1166 CE LYS A 72 -10.000 -1.910 12.940 1.00 0.00 C ATOM 1167 NZ LYS A 72 -11.039 -2.973 13.035 1.00 0.00 N ATOM 0 H LYS A 72 -9.278 3.078 10.083 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.359 1.133 10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.200 2.510 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.262 1.213 12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.261 0.933 12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.474 0.477 13.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.464 -0.931 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.825 -0.805 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.069 -2.344 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.799 -1.509 13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.632 -3.816 13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.839 -2.627 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.372 -3.219 12.081 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.133 2.199 8.530 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.299 2.324 7.663 1.00 0.00 C ATOM 1183 C GLU A 73 -13.733 0.962 7.131 1.00 0.00 C ATOM 1184 O GLU A 73 -12.930 0.220 6.566 1.00 0.00 O ATOM 1185 CB GLU A 73 -12.994 3.266 6.497 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.534 4.647 6.934 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.865 5.721 5.917 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.026 5.763 5.456 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -11.966 6.520 5.581 1.00 0.00 O ATOM 0 H GLU A 73 -11.238 2.234 8.041 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.116 2.739 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.223 2.817 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.887 3.368 5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.002 4.897 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.457 4.631 7.102 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.011 0.644 7.311 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.557 -0.627 6.846 1.00 0.00 C ATOM 1198 C GLU A 74 -15.347 -0.795 5.343 1.00 0.00 C ATOM 1199 O GLU A 74 -15.355 -1.911 4.826 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.049 -0.713 7.178 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.909 0.260 6.385 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.313 0.385 6.943 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.987 -0.656 7.092 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.739 1.523 7.230 1.00 0.00 O ATOM 0 H GLU A 74 -15.688 1.249 7.776 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.029 -1.431 7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.396 -1.729 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.187 -0.522 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.434 1.241 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.962 -0.070 5.348 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.164 0.325 4.649 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.956 0.315 3.206 1.00 0.00 C ATOM 1213 C ILE A 75 -13.886 -0.697 2.798 1.00 0.00 C ATOM 1214 O ILE A 75 -13.911 -1.223 1.686 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.559 1.715 2.699 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.219 2.141 3.306 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.649 2.719 3.043 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.866 3.592 3.052 1.00 0.00 C ATOM 0 H ILE A 75 -15.156 1.256 5.067 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.901 0.021 2.749 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.446 1.681 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.246 1.966 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.430 1.508 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.361 3.706 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.584 2.418 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.784 2.753 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.904 3.818 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.805 3.769 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.634 4.234 3.483 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.953 -0.968 3.706 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.884 -1.924 3.437 1.00 0.00 C ATOM 1232 C ILE A 76 -12.406 -3.355 3.498 1.00 0.00 C ATOM 1233 O ILE A 76 -13.212 -3.695 4.363 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.723 -1.773 4.442 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.238 -0.324 4.490 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.579 -2.708 4.076 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.082 -0.107 5.442 1.00 0.00 C ATOM 0 H ILE A 76 -12.915 -0.541 4.631 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.514 -1.711 2.434 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.087 -2.044 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.937 -0.016 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.067 0.319 4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.768 -2.589 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.932 -3.739 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.217 -2.466 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.789 0.943 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.385 -0.383 6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.237 -0.724 5.135 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.938 -4.193 2.578 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.357 -5.588 2.538 1.00 0.00 C ATOM 1251 C ALA A 77 -11.171 -6.525 2.719 1.00 0.00 C ATOM 1252 O ALA A 77 -10.017 -6.116 2.591 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.068 -5.900 1.231 1.00 0.00 C ATOM 0 H ALA A 77 -11.271 -3.931 1.853 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.050 -5.746 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.372 -6.947 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.949 -5.266 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.393 -5.712 0.396 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.446 -7.802 3.016 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.400 -8.809 3.211 1.00 0.00 C ATOM 1261 C PRO A 78 -9.632 -9.105 1.927 1.00 0.00 C ATOM 1262 O PRO A 78 -10.136 -8.880 0.827 1.00 0.00 O ATOM 1263 CB PRO A 78 -11.172 -10.051 3.660 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.563 -9.848 3.169 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.798 -8.366 3.181 1.00 0.00 C ATOM 0 HA PRO A 78 -9.649 -8.474 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.736 -10.958 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.149 -10.157 4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.684 -10.253 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.281 -10.361 3.809 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.463 -8.058 2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.258 -8.040 4.114 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.413 -9.615 2.073 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.586 -9.947 0.917 1.00 0.00 C ATOM 1275 C CYS A 79 -8.286 -10.974 0.031 1.00 0.00 C ATOM 1276 O CYS A 79 -9.019 -11.834 0.520 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.222 -10.477 1.362 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.944 -10.414 0.058 1.00 0.00 S ATOM 0 H CYS A 79 -7.977 -9.807 2.975 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.432 -9.036 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.880 -9.899 2.220 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.335 -11.508 1.697 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.224 -9.342 0.208 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.067 -10.872 -1.277 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.689 -11.784 -2.230 1.00 0.00 C ATOM 1285 C LYS A 80 -7.805 -12.997 -2.511 1.00 0.00 C ATOM 1286 O LYS A 80 -8.281 -14.132 -2.508 1.00 0.00 O ATOM 1287 CB LYS A 80 -8.994 -11.051 -3.538 1.00 0.00 C ATOM 1288 CG LYS A 80 -7.752 -10.576 -4.274 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.080 -9.472 -5.266 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.640 -10.038 -6.561 1.00 0.00 C ATOM 1291 NZ LYS A 80 -9.464 -9.037 -7.294 1.00 0.00 N ATOM 0 H LYS A 80 -7.464 -10.167 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.618 -12.141 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.562 -11.713 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.630 -10.192 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.018 -10.214 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.296 -11.415 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.803 -8.787 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.181 -8.893 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.819 -10.369 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.247 -10.916 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.827 -9.462 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.262 -8.740 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.879 -8.209 -7.527 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.524 -12.754 -2.763 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.588 -13.834 -3.056 1.00 0.00 C ATOM 1307 C VAL A 81 -5.424 -14.770 -1.863 1.00 0.00 C ATOM 1308 O VAL A 81 -5.192 -15.968 -2.030 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.205 -13.290 -3.464 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.320 -12.414 -4.702 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.568 -12.520 -2.317 1.00 0.00 C ATOM 0 H VAL A 81 -6.110 -11.822 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.011 -14.392 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.561 -14.137 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.334 -12.039 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.726 -13.000 -5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.983 -11.574 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.593 -12.145 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.208 -11.682 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.446 -13.181 -1.459 1.00 0.00 H new