USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -6.78! C(o=-11!,f=-12!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.42! K(o=-11!,f=-9) USER MOD Single : A 17 THR OG1 : rot -48:sc= -0.0818 USER MOD Single : A 18 GLN : amide:sc= -1.25 K(o=-1.3,f=-3!) USER MOD Single : A 22 MET CE :methyl -179:sc= -5.44! (180deg=-5.71!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.35 K(o=-2.3,f=-9.2!) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00831) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -83:sc= 0.0654 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -122:sc= 0.123 USER MOD Single : A 65 MET CE :methyl 145:sc= -0.227 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 2.319 11.171 -3.075 1.00 0.00 N ATOM 262 CA THR A 17 3.532 10.924 -3.835 1.00 0.00 C ATOM 263 C THR A 17 3.910 9.443 -3.771 1.00 0.00 C ATOM 264 O THR A 17 3.511 8.737 -2.846 1.00 0.00 O ATOM 265 CB THR A 17 4.624 11.853 -3.298 1.00 0.00 C ATOM 266 OG1 THR A 17 4.458 11.802 -1.884 1.00 0.00 O ATOM 267 CG2 THR A 17 4.369 13.320 -3.650 1.00 0.00 C ATOM 0 HA THR A 17 3.387 11.145 -4.893 1.00 0.00 H new ATOM 0 HB THR A 17 5.591 11.546 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.512 11.930 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.172 13.936 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.335 13.434 -4.734 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.418 13.637 -3.222 1.00 0.00 H new ATOM 275 N GLN A 18 4.673 9.016 -4.766 1.00 0.00 N ATOM 276 CA GLN A 18 5.108 7.632 -4.835 1.00 0.00 C ATOM 277 C GLN A 18 5.843 7.242 -3.550 1.00 0.00 C ATOM 278 O GLN A 18 5.776 6.093 -3.117 1.00 0.00 O ATOM 279 CB GLN A 18 5.988 7.394 -6.063 1.00 0.00 C ATOM 280 CG GLN A 18 7.111 8.431 -6.143 1.00 0.00 C ATOM 281 CD GLN A 18 6.739 9.569 -7.095 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.919 9.424 -7.987 1.00 0.00 O ATOM 283 NE2 GLN A 18 7.385 10.706 -6.857 1.00 0.00 N ATOM 0 H GLN A 18 5.001 9.605 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 18 4.226 6.999 -4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.416 6.392 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.379 7.442 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.311 8.833 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.029 7.953 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.059 10.759 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.206 11.525 -7.438 1.00 0.00 H new ATOM 292 N GLY A 19 6.528 8.221 -2.978 1.00 0.00 N ATOM 293 CA GLY A 19 7.274 7.995 -1.752 1.00 0.00 C ATOM 294 C GLY A 19 6.331 7.820 -0.560 1.00 0.00 C ATOM 295 O GLY A 19 6.561 6.971 0.300 1.00 0.00 O ATOM 0 H GLY A 19 6.582 9.173 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.898 7.108 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.944 8.835 -1.570 1.00 0.00 H new ATOM 299 N GLU A 20 5.288 8.637 -0.547 1.00 0.00 N ATOM 300 CA GLU A 20 4.308 8.583 0.525 1.00 0.00 C ATOM 301 C GLU A 20 3.664 7.197 0.586 1.00 0.00 C ATOM 302 O GLU A 20 3.426 6.666 1.670 1.00 0.00 O ATOM 303 CB GLU A 20 3.249 9.674 0.355 1.00 0.00 C ATOM 304 CG GLU A 20 3.223 10.607 1.568 1.00 0.00 C ATOM 305 CD GLU A 20 2.459 9.973 2.732 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.211 9.990 2.668 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.141 9.485 3.659 1.00 0.00 O ATOM 0 H GLU A 20 5.100 9.340 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 20 4.821 8.765 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.457 10.250 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.269 9.217 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.243 10.834 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.755 11.553 1.294 1.00 0.00 H new ATOM 314 N LEU A 21 3.399 6.650 -0.591 1.00 0.00 N ATOM 315 CA LEU A 21 2.787 5.336 -0.685 1.00 0.00 C ATOM 316 C LEU A 21 3.680 4.310 0.016 1.00 0.00 C ATOM 317 O LEU A 21 3.185 3.418 0.702 1.00 0.00 O ATOM 318 CB LEU A 21 2.482 4.990 -2.144 1.00 0.00 C ATOM 319 CG LEU A 21 1.218 4.162 -2.387 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.138 2.986 -1.412 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.033 5.040 -2.329 1.00 0.00 C ATOM 0 H LEU A 21 3.597 7.093 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 21 1.826 5.326 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.397 5.919 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.333 4.446 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 21 1.271 3.745 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.231 2.414 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.008 2.343 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.118 3.362 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.917 4.426 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.105 5.506 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.030 5.814 -3.094 1.00 0.00 H new ATOM 333 N MET A 22 4.980 4.473 -0.181 1.00 0.00 N ATOM 334 CA MET A 22 5.947 3.572 0.424 1.00 0.00 C ATOM 335 C MET A 22 5.724 3.462 1.934 1.00 0.00 C ATOM 336 O MET A 22 5.541 2.365 2.460 1.00 0.00 O ATOM 337 CB MET A 22 7.362 4.085 0.152 1.00 0.00 C ATOM 338 CG MET A 22 7.603 4.263 -1.348 1.00 0.00 C ATOM 339 SD MET A 22 9.350 4.179 -1.701 1.00 0.00 S ATOM 340 CE MET A 22 9.656 2.457 -1.344 1.00 0.00 C ATOM 0 H MET A 22 5.386 5.215 -0.751 1.00 0.00 H new ATOM 0 HA MET A 22 5.819 2.583 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.512 5.036 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.091 3.385 0.560 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.074 3.489 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.203 5.222 -1.677 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.712 2.236 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.387 2.247 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.056 1.835 -2.008 1.00 0.00 H new ATOM 350 N LYS A 23 5.747 4.614 2.588 1.00 0.00 N ATOM 351 CA LYS A 23 5.550 4.661 4.027 1.00 0.00 C ATOM 352 C LYS A 23 4.172 4.090 4.368 1.00 0.00 C ATOM 353 O LYS A 23 3.982 3.514 5.438 1.00 0.00 O ATOM 354 CB LYS A 23 5.775 6.080 4.552 1.00 0.00 C ATOM 355 CG LYS A 23 5.529 6.152 6.061 1.00 0.00 C ATOM 356 CD LYS A 23 5.806 7.559 6.595 1.00 0.00 C ATOM 357 CE LYS A 23 4.624 8.491 6.322 1.00 0.00 C ATOM 358 NZ LYS A 23 4.888 9.838 6.875 1.00 0.00 N ATOM 0 H LYS A 23 5.899 5.522 2.148 1.00 0.00 H new ATOM 0 HA LYS A 23 6.287 4.038 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.794 6.396 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.108 6.772 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.498 5.873 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.169 5.433 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.998 7.514 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.705 7.959 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.448 8.560 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.718 8.080 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.076 10.458 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.033 9.769 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.740 10.235 6.431 1.00 0.00 H new ATOM 372 N LEU A 24 3.246 4.270 3.437 1.00 0.00 N ATOM 373 CA LEU A 24 1.891 3.780 3.625 1.00 0.00 C ATOM 374 C LEU A 24 1.904 2.250 3.643 1.00 0.00 C ATOM 375 O LEU A 24 1.279 1.630 4.502 1.00 0.00 O ATOM 376 CB LEU A 24 0.955 4.375 2.571 1.00 0.00 C ATOM 377 CG LEU A 24 0.337 5.732 2.913 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.203 6.603 1.662 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.000 5.560 3.637 1.00 0.00 C ATOM 0 H LEU A 24 3.408 4.748 2.551 1.00 0.00 H new ATOM 0 HA LEU A 24 1.498 4.107 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.508 4.475 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.148 3.666 2.389 1.00 0.00 H new ATOM 0 HG LEU A 24 1.009 6.250 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.239 7.562 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.188 6.767 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.436 6.101 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.417 6.540 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.692 5.013 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.844 5.005 4.562 1.00 0.00 H new ATOM 391 N ILE A 25 2.624 1.685 2.685 1.00 0.00 N ATOM 392 CA ILE A 25 2.727 0.240 2.579 1.00 0.00 C ATOM 393 C ILE A 25 3.537 -0.297 3.761 1.00 0.00 C ATOM 394 O ILE A 25 3.138 -1.269 4.401 1.00 0.00 O ATOM 395 CB ILE A 25 3.293 -0.159 1.215 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.223 -0.055 0.126 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.923 -1.552 1.268 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.772 -0.511 -1.228 1.00 0.00 C ATOM 0 H ILE A 25 3.142 2.202 1.975 1.00 0.00 H new ATOM 0 HA ILE A 25 1.739 -0.217 2.634 1.00 0.00 H new ATOM 0 HB ILE A 25 4.086 0.543 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.362 -0.666 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.873 0.975 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.317 -1.811 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.733 -1.557 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.168 -2.282 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.991 -0.427 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.618 0.117 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.099 -1.549 -1.157 1.00 0.00 H new ATOM 410 N LYS A 26 4.659 0.360 4.016 1.00 0.00 N ATOM 411 CA LYS A 26 5.528 -0.039 5.110 1.00 0.00 C ATOM 412 C LYS A 26 4.792 0.155 6.437 1.00 0.00 C ATOM 413 O LYS A 26 5.038 -0.571 7.399 1.00 0.00 O ATOM 414 CB LYS A 26 6.863 0.705 5.032 1.00 0.00 C ATOM 415 CG LYS A 26 7.659 0.539 6.328 1.00 0.00 C ATOM 416 CD LYS A 26 8.317 -0.841 6.395 1.00 0.00 C ATOM 417 CE LYS A 26 8.036 -1.518 7.738 1.00 0.00 C ATOM 418 NZ LYS A 26 9.298 -1.975 8.362 1.00 0.00 N ATOM 0 H LYS A 26 4.986 1.166 3.484 1.00 0.00 H new ATOM 0 HA LYS A 26 5.775 -1.098 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.446 0.327 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.683 1.764 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.423 1.314 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.998 0.673 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.943 -1.466 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.393 -0.742 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.526 -0.822 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.368 -2.367 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.089 -2.432 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.770 -2.656 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.923 -1.159 8.520 1.00 0.00 H new ATOM 432 N GLU A 27 3.904 1.138 6.446 1.00 0.00 N ATOM 433 CA GLU A 27 3.130 1.437 7.639 1.00 0.00 C ATOM 434 C GLU A 27 2.168 0.288 7.949 1.00 0.00 C ATOM 435 O GLU A 27 1.894 -0.001 9.113 1.00 0.00 O ATOM 436 CB GLU A 27 2.376 2.759 7.487 1.00 0.00 C ATOM 437 CG GLU A 27 3.214 3.931 8.002 1.00 0.00 C ATOM 438 CD GLU A 27 2.586 5.269 7.606 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.349 5.448 6.392 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.358 6.083 8.527 1.00 0.00 O ATOM 0 H GLU A 27 3.703 1.738 5.646 1.00 0.00 H new ATOM 0 HA GLU A 27 3.818 1.545 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.125 2.920 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.436 2.711 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.300 3.872 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.224 3.866 7.598 1.00 0.00 H new ATOM 447 N ILE A 28 1.680 -0.335 6.887 1.00 0.00 N ATOM 448 CA ILE A 28 0.753 -1.445 7.031 1.00 0.00 C ATOM 449 C ILE A 28 1.484 -2.636 7.654 1.00 0.00 C ATOM 450 O ILE A 28 0.947 -3.307 8.534 1.00 0.00 O ATOM 451 CB ILE A 28 0.088 -1.765 5.691 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.251 -1.035 5.555 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.061 -3.275 5.499 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.171 0.064 4.494 1.00 0.00 C ATOM 0 H ILE A 28 1.909 -0.093 5.923 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.059 -1.178 7.708 1.00 0.00 H new ATOM 0 HB ILE A 28 0.736 -1.402 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.032 -1.747 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.531 -0.600 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.537 -3.474 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.923 -3.743 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.676 -3.685 6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.135 0.567 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.406 0.787 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.915 -0.378 3.531 1.00 0.00 H new ATOM 466 N VAL A 29 2.697 -2.863 7.172 1.00 0.00 N ATOM 467 CA VAL A 29 3.507 -3.962 7.671 1.00 0.00 C ATOM 468 C VAL A 29 4.373 -3.466 8.831 1.00 0.00 C ATOM 469 O VAL A 29 5.295 -4.156 9.262 1.00 0.00 O ATOM 470 CB VAL A 29 4.327 -4.568 6.530 1.00 0.00 C ATOM 471 CG1 VAL A 29 4.688 -3.505 5.490 1.00 0.00 C ATOM 472 CG2 VAL A 29 5.582 -5.261 7.065 1.00 0.00 C ATOM 0 H VAL A 29 3.139 -2.305 6.441 1.00 0.00 H new ATOM 0 HA VAL A 29 2.872 -4.760 8.057 1.00 0.00 H new ATOM 0 HB VAL A 29 3.712 -5.322 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.271 -3.962 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.775 -3.077 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.276 -2.718 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.147 -5.683 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.201 -4.536 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.293 -6.059 7.750 1.00 0.00 H new ATOM 482 N GLU A 30 4.045 -2.272 9.304 1.00 0.00 N ATOM 483 CA GLU A 30 4.781 -1.676 10.406 1.00 0.00 C ATOM 484 C GLU A 30 4.772 -2.610 11.618 1.00 0.00 C ATOM 485 O GLU A 30 5.695 -2.588 12.430 1.00 0.00 O ATOM 486 CB GLU A 30 4.210 -0.303 10.767 1.00 0.00 C ATOM 487 CG GLU A 30 2.983 -0.440 11.671 1.00 0.00 C ATOM 488 CD GLU A 30 2.312 0.917 11.895 1.00 0.00 C ATOM 489 OE1 GLU A 30 2.137 1.636 10.889 1.00 0.00 O ATOM 490 OE2 GLU A 30 1.990 1.203 13.069 1.00 0.00 O ATOM 0 H GLU A 30 3.280 -1.702 8.944 1.00 0.00 H new ATOM 0 HA GLU A 30 5.815 -1.532 10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.973 0.291 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.938 0.232 9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.271 -1.132 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.279 -0.866 12.630 1.00 0.00 H new ATOM 497 N ASN A 31 3.718 -3.409 11.701 1.00 0.00 N ATOM 498 CA ASN A 31 3.577 -4.349 12.800 1.00 0.00 C ATOM 499 C ASN A 31 2.866 -5.608 12.300 1.00 0.00 C ATOM 500 O ASN A 31 1.820 -5.985 12.826 1.00 0.00 O ATOM 501 CB ASN A 31 2.738 -3.751 13.932 1.00 0.00 C ATOM 502 CG ASN A 31 1.349 -3.351 13.433 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.187 -2.461 12.614 1.00 0.00 O ATOM 504 ND2 ASN A 31 0.357 -4.056 13.970 1.00 0.00 N ATOM 0 H ASN A 31 2.954 -3.425 11.025 1.00 0.00 H new ATOM 0 HA ASN A 31 4.574 -4.583 13.174 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.643 -4.476 14.741 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.245 -2.879 14.344 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.608 -3.865 13.701 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.562 -4.788 14.650 1.00 0.00 H new ATOM 511 N GLU A 32 3.463 -6.224 11.290 1.00 0.00 N ATOM 512 CA GLU A 32 2.900 -7.433 10.713 1.00 0.00 C ATOM 513 C GLU A 32 2.700 -8.495 11.796 1.00 0.00 C ATOM 514 O GLU A 32 2.681 -8.178 12.985 1.00 0.00 O ATOM 515 CB GLU A 32 3.783 -7.963 9.582 1.00 0.00 C ATOM 516 CG GLU A 32 5.011 -8.686 10.138 1.00 0.00 C ATOM 517 CD GLU A 32 5.067 -10.132 9.642 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.019 -10.311 8.405 1.00 0.00 O ATOM 519 OE2 GLU A 32 5.157 -11.027 10.510 1.00 0.00 O ATOM 0 H GLU A 32 4.331 -5.909 10.857 1.00 0.00 H new ATOM 0 HA GLU A 32 1.927 -7.190 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.208 -8.645 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.100 -7.137 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.916 -8.159 9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.983 -8.672 11.228 1.00 0.00 H new ATOM 526 N ASP A 33 2.557 -9.733 11.347 1.00 0.00 N ATOM 527 CA ASP A 33 2.360 -10.843 12.263 1.00 0.00 C ATOM 528 C ASP A 33 2.735 -12.150 11.562 1.00 0.00 C ATOM 529 O ASP A 33 2.940 -12.171 10.349 1.00 0.00 O ATOM 530 CB ASP A 33 0.897 -10.944 12.700 1.00 0.00 C ATOM 531 CG ASP A 33 0.676 -11.564 14.081 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.814 -10.812 15.070 1.00 0.00 O ATOM 533 OD2 ASP A 33 0.374 -12.777 14.117 1.00 0.00 O ATOM 0 H ASP A 33 2.574 -9.992 10.361 1.00 0.00 H new ATOM 0 HA ASP A 33 2.987 -10.673 13.138 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.462 -9.945 12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.353 -11.534 11.962 1.00 0.00 H new ATOM 538 N LYS A 34 2.812 -13.209 12.355 1.00 0.00 N ATOM 539 CA LYS A 34 3.158 -14.517 11.825 1.00 0.00 C ATOM 540 C LYS A 34 1.964 -15.083 11.054 1.00 0.00 C ATOM 541 O LYS A 34 2.058 -15.335 9.853 1.00 0.00 O ATOM 542 CB LYS A 34 3.657 -15.433 12.944 1.00 0.00 C ATOM 543 CG LYS A 34 5.186 -15.484 12.970 1.00 0.00 C ATOM 544 CD LYS A 34 5.700 -16.814 12.413 1.00 0.00 C ATOM 545 CE LYS A 34 6.911 -16.596 11.503 1.00 0.00 C ATOM 546 NZ LYS A 34 6.485 -16.048 10.196 1.00 0.00 N ATOM 0 H LYS A 34 2.641 -13.188 13.360 1.00 0.00 H new ATOM 0 HA LYS A 34 3.984 -14.435 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.285 -15.076 13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.258 -16.437 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.591 -14.659 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.541 -15.352 13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.973 -17.476 13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.906 -17.310 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.613 -15.912 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.436 -17.539 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.300 -16.017 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.744 -16.655 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.111 -15.086 10.328 1.00 0.00 H new ATOM 560 N ARG A 35 0.867 -15.266 11.775 1.00 0.00 N ATOM 561 CA ARG A 35 -0.344 -15.797 11.173 1.00 0.00 C ATOM 562 C ARG A 35 -1.088 -14.695 10.417 1.00 0.00 C ATOM 563 O ARG A 35 -2.163 -14.931 9.868 1.00 0.00 O ATOM 564 CB ARG A 35 -1.271 -16.392 12.235 1.00 0.00 C ATOM 565 CG ARG A 35 -1.433 -17.900 12.039 1.00 0.00 C ATOM 566 CD ARG A 35 -2.899 -18.317 12.171 1.00 0.00 C ATOM 567 NE ARG A 35 -2.987 -19.724 12.621 1.00 0.00 N ATOM 568 CZ ARG A 35 -4.139 -20.372 12.838 1.00 0.00 C ATOM 569 NH1 ARG A 35 -5.308 -19.745 12.647 1.00 0.00 N ATOM 570 NH2 ARG A 35 -4.123 -21.649 13.246 1.00 0.00 N ATOM 0 H ARG A 35 0.792 -15.056 12.770 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.052 -16.585 10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.868 -16.192 13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.246 -15.908 12.184 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.058 -18.185 11.056 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.832 -18.433 12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.408 -17.667 12.882 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.406 -18.201 11.213 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.116 -20.232 12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.321 -18.774 12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.185 -20.239 12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.234 -22.127 13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.000 -22.143 13.411 1.00 0.00 H new ATOM 584 N LYS A 36 -0.486 -13.514 10.412 1.00 0.00 N ATOM 585 CA LYS A 36 -1.079 -12.375 9.731 1.00 0.00 C ATOM 586 C LYS A 36 0.033 -11.458 9.219 1.00 0.00 C ATOM 587 O LYS A 36 0.284 -10.399 9.793 1.00 0.00 O ATOM 588 CB LYS A 36 -2.085 -11.671 10.643 1.00 0.00 C ATOM 589 CG LYS A 36 -3.520 -11.933 10.181 1.00 0.00 C ATOM 590 CD LYS A 36 -4.519 -11.651 11.306 1.00 0.00 C ATOM 591 CE LYS A 36 -5.141 -12.949 11.824 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.538 -12.717 12.257 1.00 0.00 N ATOM 0 H LYS A 36 0.406 -13.321 10.868 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.648 -12.704 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.959 -12.021 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.890 -10.599 10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.749 -11.305 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.617 -12.968 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.016 -11.133 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.303 -10.987 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.118 -13.708 11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.554 -13.333 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.946 -13.608 12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.552 -12.008 13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.098 -12.372 11.452 1.00 0.00 H new ATOM 606 N PRO A 37 0.688 -11.909 8.115 1.00 0.00 N ATOM 607 CA PRO A 37 1.767 -11.141 7.519 1.00 0.00 C ATOM 608 C PRO A 37 1.223 -9.938 6.746 1.00 0.00 C ATOM 609 O PRO A 37 0.095 -9.505 6.979 1.00 0.00 O ATOM 610 CB PRO A 37 2.511 -12.129 6.634 1.00 0.00 C ATOM 611 CG PRO A 37 1.552 -13.286 6.405 1.00 0.00 C ATOM 612 CD PRO A 37 0.418 -13.158 7.409 1.00 0.00 C ATOM 0 HA PRO A 37 2.437 -10.710 8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.799 -11.667 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.428 -12.471 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.164 -13.264 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.067 -14.239 6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.551 -13.130 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.399 -14.005 8.095 1.00 0.00 H new ATOM 620 N TYR A 38 2.049 -9.433 5.842 1.00 0.00 N ATOM 621 CA TYR A 38 1.664 -8.289 5.033 1.00 0.00 C ATOM 622 C TYR A 38 2.406 -8.288 3.696 1.00 0.00 C ATOM 623 O TYR A 38 2.947 -7.263 3.283 1.00 0.00 O ATOM 624 CB TYR A 38 2.075 -7.050 5.832 1.00 0.00 C ATOM 625 CG TYR A 38 1.017 -6.573 6.829 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.279 -6.355 6.409 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.359 -6.361 8.150 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.274 -5.906 7.347 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.364 -5.912 9.088 1.00 0.00 C ATOM 630 CZ TYR A 38 -0.904 -5.707 8.641 1.00 0.00 C ATOM 631 OH TYR A 38 -1.844 -5.283 9.527 1.00 0.00 O ATOM 0 H TYR A 38 2.983 -9.795 5.652 1.00 0.00 H new ATOM 0 HA TYR A 38 0.596 -8.313 4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.996 -7.268 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.297 -6.240 5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.547 -6.521 5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.373 -6.532 8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.292 -5.731 7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.619 -5.742 10.124 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.437 -5.185 10.413 1.00 0.00 H new ATOM 641 N SER A 39 2.408 -9.448 3.056 1.00 0.00 N ATOM 642 CA SER A 39 3.076 -9.594 1.773 1.00 0.00 C ATOM 643 C SER A 39 2.367 -8.746 0.715 1.00 0.00 C ATOM 644 O SER A 39 1.273 -8.236 0.953 1.00 0.00 O ATOM 645 CB SER A 39 3.117 -11.060 1.338 1.00 0.00 C ATOM 646 OG SER A 39 2.110 -11.837 1.981 1.00 0.00 O ATOM 0 H SER A 39 1.958 -10.296 3.401 1.00 0.00 H new ATOM 0 HA SER A 39 4.103 -9.246 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.987 -11.121 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.098 -11.478 1.565 1.00 0.00 H new ATOM 0 HG SER A 39 2.425 -12.112 2.867 1.00 0.00 H new ATOM 652 N ASP A 40 3.020 -8.620 -0.431 1.00 0.00 N ATOM 653 CA ASP A 40 2.466 -7.843 -1.526 1.00 0.00 C ATOM 654 C ASP A 40 0.991 -8.204 -1.708 1.00 0.00 C ATOM 655 O ASP A 40 0.180 -7.355 -2.074 1.00 0.00 O ATOM 656 CB ASP A 40 3.192 -8.145 -2.838 1.00 0.00 C ATOM 657 CG ASP A 40 2.900 -9.522 -3.437 1.00 0.00 C ATOM 658 OD1 ASP A 40 3.634 -10.466 -3.075 1.00 0.00 O ATOM 659 OD2 ASP A 40 1.948 -9.599 -4.244 1.00 0.00 O ATOM 0 H ASP A 40 3.928 -9.043 -0.625 1.00 0.00 H new ATOM 0 HA ASP A 40 2.584 -6.787 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.922 -7.383 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.265 -8.059 -2.670 1.00 0.00 H new ATOM 664 N GLN A 41 0.687 -9.467 -1.444 1.00 0.00 N ATOM 665 CA GLN A 41 -0.676 -9.952 -1.574 1.00 0.00 C ATOM 666 C GLN A 41 -1.589 -9.246 -0.569 1.00 0.00 C ATOM 667 O GLN A 41 -2.584 -8.634 -0.953 1.00 0.00 O ATOM 668 CB GLN A 41 -0.737 -11.470 -1.398 1.00 0.00 C ATOM 669 CG GLN A 41 -1.989 -11.882 -0.620 1.00 0.00 C ATOM 670 CD GLN A 41 -3.259 -11.480 -1.371 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.220 -10.953 -2.471 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.384 -11.756 -0.719 1.00 0.00 N ATOM 0 H GLN A 41 1.362 -10.169 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.028 -9.722 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.736 -11.953 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.153 -11.815 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.983 -12.960 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.981 -11.413 0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.346 -12.198 0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.285 -11.526 -1.137 1.00 0.00 H new ATOM 681 N GLU A 42 -1.216 -9.355 0.698 1.00 0.00 N ATOM 682 CA GLU A 42 -1.989 -8.734 1.761 1.00 0.00 C ATOM 683 C GLU A 42 -2.046 -7.219 1.560 1.00 0.00 C ATOM 684 O GLU A 42 -3.111 -6.665 1.288 1.00 0.00 O ATOM 685 CB GLU A 42 -1.412 -9.084 3.134 1.00 0.00 C ATOM 686 CG GLU A 42 -2.371 -8.674 4.252 1.00 0.00 C ATOM 687 CD GLU A 42 -3.827 -8.806 3.801 1.00 0.00 C ATOM 688 OE1 GLU A 42 -4.316 -9.956 3.791 1.00 0.00 O ATOM 689 OE2 GLU A 42 -4.419 -7.753 3.478 1.00 0.00 O ATOM 0 H GLU A 42 -0.390 -9.864 1.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.006 -9.124 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.220 -10.156 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.454 -8.581 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.200 -9.298 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.170 -7.645 4.549 1.00 0.00 H new ATOM 696 N ILE A 43 -0.888 -6.591 1.702 1.00 0.00 N ATOM 697 CA ILE A 43 -0.794 -5.150 1.540 1.00 0.00 C ATOM 698 C ILE A 43 -1.654 -4.717 0.351 1.00 0.00 C ATOM 699 O ILE A 43 -2.445 -3.781 0.460 1.00 0.00 O ATOM 700 CB ILE A 43 0.670 -4.718 1.429 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.191 -4.197 2.770 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.857 -3.697 0.305 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.681 -4.503 2.936 1.00 0.00 C ATOM 0 H ILE A 43 -0.007 -7.053 1.927 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.187 -4.642 2.420 1.00 0.00 H new ATOM 0 HB ILE A 43 1.266 -5.593 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.028 -3.121 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.629 -4.654 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.906 -3.407 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.551 -4.139 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.248 -2.816 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.026 -4.122 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.838 -5.581 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.242 -4.024 2.134 1.00 0.00 H new ATOM 715 N ALA A 44 -1.471 -5.419 -0.758 1.00 0.00 N ATOM 716 CA ALA A 44 -2.220 -5.120 -1.966 1.00 0.00 C ATOM 717 C ALA A 44 -3.718 -5.230 -1.673 1.00 0.00 C ATOM 718 O ALA A 44 -4.499 -4.371 -2.079 1.00 0.00 O ATOM 719 CB ALA A 44 -1.776 -6.058 -3.089 1.00 0.00 C ATOM 0 H ALA A 44 -0.814 -6.195 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.022 -4.100 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.339 -5.833 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.712 -5.920 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.961 -7.091 -2.795 1.00 0.00 H new ATOM 725 N ASN A 45 -4.074 -6.295 -0.969 1.00 0.00 N ATOM 726 CA ASN A 45 -5.464 -6.528 -0.616 1.00 0.00 C ATOM 727 C ASN A 45 -5.959 -5.385 0.271 1.00 0.00 C ATOM 728 O ASN A 45 -7.125 -4.998 0.198 1.00 0.00 O ATOM 729 CB ASN A 45 -5.622 -7.835 0.164 1.00 0.00 C ATOM 730 CG ASN A 45 -5.874 -9.011 -0.782 1.00 0.00 C ATOM 731 OD1 ASN A 45 -6.930 -9.621 -0.788 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.847 -9.294 -1.579 1.00 0.00 N ATOM 0 H ASN A 45 -3.424 -7.006 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.041 -6.587 -1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.724 -8.023 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.450 -7.745 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.916 -10.062 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.991 -8.743 -1.522 1.00 0.00 H new ATOM 739 N ILE A 46 -5.050 -4.877 1.090 1.00 0.00 N ATOM 740 CA ILE A 46 -5.380 -3.786 1.991 1.00 0.00 C ATOM 741 C ILE A 46 -5.747 -2.547 1.171 1.00 0.00 C ATOM 742 O ILE A 46 -6.791 -1.936 1.397 1.00 0.00 O ATOM 743 CB ILE A 46 -4.242 -3.550 2.986 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.293 -4.566 4.128 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.254 -2.109 3.500 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.127 -4.362 5.097 1.00 0.00 C ATOM 0 H ILE A 46 -4.085 -5.201 1.148 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.252 -4.040 2.594 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.296 -3.699 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.237 -4.469 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.260 -5.577 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.435 -1.968 4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.133 -1.423 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.202 -1.909 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.188 -5.097 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.185 -4.484 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.177 -3.359 5.520 1.00 0.00 H new ATOM 758 N LEU A 47 -4.869 -2.213 0.237 1.00 0.00 N ATOM 759 CA LEU A 47 -5.088 -1.058 -0.617 1.00 0.00 C ATOM 760 C LEU A 47 -6.418 -1.220 -1.356 1.00 0.00 C ATOM 761 O LEU A 47 -7.106 -0.237 -1.624 1.00 0.00 O ATOM 762 CB LEU A 47 -3.891 -0.844 -1.545 1.00 0.00 C ATOM 763 CG LEU A 47 -2.569 -0.483 -0.864 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.686 -0.601 0.657 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.419 -1.325 -1.417 1.00 0.00 C ATOM 0 H LEU A 47 -4.004 -2.722 0.053 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.164 -0.150 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.740 -1.754 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.141 -0.052 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.342 0.559 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.733 -0.339 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.460 0.077 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.948 -1.625 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.492 -1.048 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.625 -2.381 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.320 -1.147 -2.488 1.00 0.00 H new ATOM 777 N LYS A 48 -6.739 -2.468 -1.663 1.00 0.00 N ATOM 778 CA LYS A 48 -7.974 -2.771 -2.366 1.00 0.00 C ATOM 779 C LYS A 48 -9.158 -2.223 -1.566 1.00 0.00 C ATOM 780 O LYS A 48 -10.251 -2.054 -2.105 1.00 0.00 O ATOM 781 CB LYS A 48 -8.071 -4.270 -2.657 1.00 0.00 C ATOM 782 CG LYS A 48 -9.052 -4.545 -3.798 1.00 0.00 C ATOM 783 CD LYS A 48 -8.340 -5.180 -4.994 1.00 0.00 C ATOM 784 CE LYS A 48 -9.132 -6.371 -5.535 1.00 0.00 C ATOM 785 NZ LYS A 48 -9.330 -6.241 -6.996 1.00 0.00 N ATOM 0 H LYS A 48 -6.166 -3.281 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.989 -2.279 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.086 -4.658 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.394 -4.798 -1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.845 -5.207 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.527 -3.614 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.211 -4.437 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.343 -5.506 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.602 -7.298 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.099 -6.430 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.869 -7.058 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.855 -5.366 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.405 -6.207 -7.470 1.00 0.00 H new ATOM 799 N GLU A 49 -8.901 -1.960 -0.293 1.00 0.00 N ATOM 800 CA GLU A 49 -9.932 -1.435 0.585 1.00 0.00 C ATOM 801 C GLU A 49 -10.369 -0.045 0.119 1.00 0.00 C ATOM 802 O GLU A 49 -11.118 0.640 0.814 1.00 0.00 O ATOM 803 CB GLU A 49 -9.449 -1.400 2.037 1.00 0.00 C ATOM 804 CG GLU A 49 -8.660 -0.120 2.322 1.00 0.00 C ATOM 805 CD GLU A 49 -8.049 -0.153 3.724 1.00 0.00 C ATOM 806 OE1 GLU A 49 -8.842 -0.250 4.686 1.00 0.00 O ATOM 807 OE2 GLU A 49 -6.804 -0.080 3.803 1.00 0.00 O ATOM 0 H GLU A 49 -7.994 -2.101 0.151 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.795 -2.100 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.304 -1.462 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.823 -2.270 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.870 -0.003 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.317 0.745 2.228 1.00 0.00 H new ATOM 885 N VAL A 54 -3.153 0.826 -5.967 1.00 0.00 N ATOM 886 CA VAL A 54 -2.027 -0.087 -6.071 1.00 0.00 C ATOM 887 C VAL A 54 -2.482 -1.372 -6.767 1.00 0.00 C ATOM 888 O VAL A 54 -3.637 -1.486 -7.174 1.00 0.00 O ATOM 889 CB VAL A 54 -1.427 -0.338 -4.686 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.098 -0.441 -4.761 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.855 0.749 -3.698 1.00 0.00 C ATOM 0 HA VAL A 54 -1.235 0.350 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.810 -1.291 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.500 -0.619 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.375 -1.266 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.507 0.489 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.415 0.547 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.514 1.721 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.942 0.755 -3.612 1.00 0.00 H new ATOM 901 N ALA A 55 -1.550 -2.307 -6.881 1.00 0.00 N ATOM 902 CA ALA A 55 -1.840 -3.579 -7.520 1.00 0.00 C ATOM 903 C ALA A 55 -0.682 -4.546 -7.270 1.00 0.00 C ATOM 904 O ALA A 55 0.474 -4.131 -7.196 1.00 0.00 O ATOM 905 CB ALA A 55 -2.100 -3.354 -9.011 1.00 0.00 C ATOM 0 H ALA A 55 -0.593 -2.209 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.740 -4.025 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.318 -4.308 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.950 -2.683 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.217 -2.910 -9.471 1.00 0.00 H new ATOM 911 N ARG A 56 -1.031 -5.818 -7.146 1.00 0.00 N ATOM 912 CA ARG A 56 -0.035 -6.848 -6.905 1.00 0.00 C ATOM 913 C ARG A 56 1.290 -6.470 -7.569 1.00 0.00 C ATOM 914 O ARG A 56 2.353 -6.608 -6.965 1.00 0.00 O ATOM 915 CB ARG A 56 -0.501 -8.202 -7.446 1.00 0.00 C ATOM 916 CG ARG A 56 -1.628 -8.777 -6.587 1.00 0.00 C ATOM 917 CD ARG A 56 -2.652 -9.517 -7.449 1.00 0.00 C ATOM 918 NE ARG A 56 -3.453 -8.547 -8.229 1.00 0.00 N ATOM 919 CZ ARG A 56 -4.593 -8.852 -8.864 1.00 0.00 C ATOM 920 NH1 ARG A 56 -5.072 -10.102 -8.816 1.00 0.00 N ATOM 921 NH2 ARG A 56 -5.253 -7.907 -9.547 1.00 0.00 N ATOM 0 H ARG A 56 -1.990 -6.159 -7.208 1.00 0.00 H new ATOM 0 HA ARG A 56 0.105 -6.929 -5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.845 -8.088 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.338 -8.898 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.213 -9.458 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.121 -7.972 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.142 -10.205 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.307 -10.116 -6.816 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.116 -7.586 -8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.569 -10.821 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.940 -10.335 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.888 -6.955 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.121 -8.139 -10.030 1.00 0.00 H new ATOM 935 N ARG A 57 1.184 -6.001 -8.804 1.00 0.00 N ATOM 936 CA ARG A 57 2.362 -5.602 -9.557 1.00 0.00 C ATOM 937 C ARG A 57 3.099 -4.475 -8.831 1.00 0.00 C ATOM 938 O ARG A 57 4.283 -4.600 -8.523 1.00 0.00 O ATOM 939 CB ARG A 57 1.983 -5.133 -10.963 1.00 0.00 C ATOM 940 CG ARG A 57 2.913 -5.745 -12.014 1.00 0.00 C ATOM 941 CD ARG A 57 3.704 -4.658 -12.745 1.00 0.00 C ATOM 942 NE ARG A 57 4.992 -5.206 -13.224 1.00 0.00 N ATOM 943 CZ ARG A 57 6.056 -4.456 -13.541 1.00 0.00 C ATOM 944 NH1 ARG A 57 5.993 -3.122 -13.430 1.00 0.00 N ATOM 945 NH2 ARG A 57 7.184 -5.040 -13.968 1.00 0.00 N ATOM 0 H ARG A 57 0.301 -5.888 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 57 3.014 -6.472 -9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.952 -5.412 -11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.036 -4.045 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.602 -6.441 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.328 -6.319 -12.732 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.125 -4.279 -13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.884 -3.816 -12.077 1.00 0.00 H new ATOM 0 HE ARG A 57 5.075 -6.218 -13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.135 -2.677 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.803 -2.551 -13.671 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.232 -6.055 -14.052 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.994 -4.469 -14.209 1.00 0.00 H new ATOM 959 N THR A 58 2.367 -3.399 -8.580 1.00 0.00 N ATOM 960 CA THR A 58 2.937 -2.250 -7.897 1.00 0.00 C ATOM 961 C THR A 58 3.435 -2.649 -6.506 1.00 0.00 C ATOM 962 O THR A 58 4.531 -2.265 -6.102 1.00 0.00 O ATOM 963 CB THR A 58 1.879 -1.144 -7.869 1.00 0.00 C ATOM 964 OG1 THR A 58 2.093 -0.429 -9.083 1.00 0.00 O ATOM 965 CG2 THR A 58 2.144 -0.108 -6.775 1.00 0.00 C ATOM 0 H THR A 58 1.385 -3.299 -8.837 1.00 0.00 H new ATOM 0 HA THR A 58 3.812 -1.870 -8.425 1.00 0.00 H new ATOM 0 HB THR A 58 0.894 -1.587 -7.719 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.448 0.306 -9.148 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.365 0.654 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.143 -0.598 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.114 0.360 -6.944 1.00 0.00 H new ATOM 973 N VAL A 59 2.605 -3.415 -5.813 1.00 0.00 N ATOM 974 CA VAL A 59 2.947 -3.870 -4.477 1.00 0.00 C ATOM 975 C VAL A 59 4.214 -4.726 -4.543 1.00 0.00 C ATOM 976 O VAL A 59 5.106 -4.586 -3.708 1.00 0.00 O ATOM 977 CB VAL A 59 1.760 -4.608 -3.855 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.881 -4.656 -2.330 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.435 -3.971 -4.280 1.00 0.00 C ATOM 0 H VAL A 59 1.697 -3.732 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 59 3.161 -3.021 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 59 1.773 -5.634 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.024 -5.186 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.799 -5.176 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.906 -3.640 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.393 -4.514 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.410 -2.931 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.343 -4.013 -5.365 1.00 0.00 H new ATOM 989 N ALA A 60 4.253 -5.593 -5.544 1.00 0.00 N ATOM 990 CA ALA A 60 5.395 -6.471 -5.730 1.00 0.00 C ATOM 991 C ALA A 60 6.666 -5.627 -5.852 1.00 0.00 C ATOM 992 O ALA A 60 7.705 -5.979 -5.294 1.00 0.00 O ATOM 993 CB ALA A 60 5.164 -7.357 -6.956 1.00 0.00 C ATOM 0 H ALA A 60 3.511 -5.706 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 60 5.517 -7.130 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.021 -8.016 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.266 -7.956 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.040 -6.731 -7.839 1.00 0.00 H new ATOM 999 N LYS A 61 6.543 -4.531 -6.585 1.00 0.00 N ATOM 1000 CA LYS A 61 7.669 -3.635 -6.787 1.00 0.00 C ATOM 1001 C LYS A 61 8.106 -3.061 -5.438 1.00 0.00 C ATOM 1002 O LYS A 61 9.298 -3.017 -5.135 1.00 0.00 O ATOM 1003 CB LYS A 61 7.324 -2.567 -7.827 1.00 0.00 C ATOM 1004 CG LYS A 61 8.529 -2.261 -8.719 1.00 0.00 C ATOM 1005 CD LYS A 61 8.083 -1.669 -10.058 1.00 0.00 C ATOM 1006 CE LYS A 61 9.253 -1.599 -11.042 1.00 0.00 C ATOM 1007 NZ LYS A 61 8.982 -0.596 -12.097 1.00 0.00 N ATOM 0 H LYS A 61 5.680 -4.243 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 61 8.521 -4.179 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.490 -2.908 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.999 -1.656 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.194 -1.562 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.099 -3.174 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.283 -2.277 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.675 -0.671 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.168 -1.339 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.415 -2.577 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.785 -0.560 -12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.120 -0.861 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.850 0.339 -11.661 1.00 0.00 H new ATOM 1021 N TYR A 62 7.119 -2.635 -4.663 1.00 0.00 N ATOM 1022 CA TYR A 62 7.387 -2.065 -3.354 1.00 0.00 C ATOM 1023 C TYR A 62 7.936 -3.125 -2.397 1.00 0.00 C ATOM 1024 O TYR A 62 8.868 -2.860 -1.639 1.00 0.00 O ATOM 1025 CB TYR A 62 6.040 -1.567 -2.827 1.00 0.00 C ATOM 1026 CG TYR A 62 5.763 -0.092 -3.122 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.013 0.419 -4.380 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.263 0.728 -2.131 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.752 1.807 -4.658 1.00 0.00 C ATOM 1030 CE2 TYR A 62 5.002 2.117 -2.409 1.00 0.00 C ATOM 1031 CZ TYR A 62 5.260 2.588 -3.659 1.00 0.00 C ATOM 1032 OH TYR A 62 5.013 3.899 -3.922 1.00 0.00 O ATOM 0 H TYR A 62 6.132 -2.673 -4.917 1.00 0.00 H new ATOM 0 HA TYR A 62 8.128 -1.268 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.245 -2.170 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.003 -1.725 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.404 -0.223 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.067 0.328 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.943 2.219 -5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.610 2.770 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 62 5.529 4.459 -3.305 1.00 0.00 H new ATOM 1042 N ARG A 63 7.334 -4.304 -2.462 1.00 0.00 N ATOM 1043 CA ARG A 63 7.750 -5.405 -1.611 1.00 0.00 C ATOM 1044 C ARG A 63 9.277 -5.465 -1.530 1.00 0.00 C ATOM 1045 O ARG A 63 9.836 -5.709 -0.461 1.00 0.00 O ATOM 1046 CB ARG A 63 7.221 -6.740 -2.139 1.00 0.00 C ATOM 1047 CG ARG A 63 7.492 -7.870 -1.143 1.00 0.00 C ATOM 1048 CD ARG A 63 7.032 -9.217 -1.704 1.00 0.00 C ATOM 1049 NE ARG A 63 8.176 -10.154 -1.773 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.649 -10.841 -0.725 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.080 -10.700 0.480 1.00 0.00 N ATOM 1052 NH2 ARG A 63 9.691 -11.668 -0.881 1.00 0.00 N ATOM 0 H ARG A 63 6.561 -4.520 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 63 7.336 -5.231 -0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.150 -6.663 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.694 -6.971 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.557 -7.911 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.974 -7.666 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.247 -9.634 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.603 -9.080 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 63 8.633 -10.285 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.287 -10.070 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.440 -11.223 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.125 -11.775 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.051 -12.191 -0.083 1.00 0.00 H new ATOM 1066 N GLU A 64 9.908 -5.239 -2.672 1.00 0.00 N ATOM 1067 CA GLU A 64 11.359 -5.265 -2.744 1.00 0.00 C ATOM 1068 C GLU A 64 11.949 -4.087 -1.966 1.00 0.00 C ATOM 1069 O GLU A 64 12.953 -4.239 -1.271 1.00 0.00 O ATOM 1070 CB GLU A 64 11.836 -5.256 -4.198 1.00 0.00 C ATOM 1071 CG GLU A 64 13.074 -6.137 -4.373 1.00 0.00 C ATOM 1072 CD GLU A 64 13.371 -6.376 -5.855 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.517 -7.013 -6.510 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.445 -5.917 -6.300 1.00 0.00 O ATOM 0 H GLU A 64 9.441 -5.037 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 64 11.710 -6.190 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.037 -5.611 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.065 -4.235 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.933 -5.662 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.919 -7.092 -3.871 1.00 0.00 H new ATOM 1081 N MET A 65 11.302 -2.940 -2.109 1.00 0.00 N ATOM 1082 CA MET A 65 11.750 -1.737 -1.428 1.00 0.00 C ATOM 1083 C MET A 65 11.508 -1.838 0.079 1.00 0.00 C ATOM 1084 O MET A 65 12.330 -1.386 0.875 1.00 0.00 O ATOM 1085 CB MET A 65 11.001 -0.525 -1.986 1.00 0.00 C ATOM 1086 CG MET A 65 11.464 -0.201 -3.407 1.00 0.00 C ATOM 1087 SD MET A 65 10.636 1.264 -4.000 1.00 0.00 S ATOM 1088 CE MET A 65 9.624 0.550 -5.285 1.00 0.00 C ATOM 0 H MET A 65 10.470 -2.818 -2.687 1.00 0.00 H new ATOM 0 HA MET A 65 12.821 -1.623 -1.598 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.929 -0.723 -1.985 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.166 0.338 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.543 -0.049 -3.421 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.252 -1.041 -4.068 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.672 1.079 -5.334 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.137 0.637 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.444 -0.502 -5.064 1.00 0.00 H new ATOM 1098 N LEU A 66 10.377 -2.434 0.426 1.00 0.00 N ATOM 1099 CA LEU A 66 10.017 -2.600 1.824 1.00 0.00 C ATOM 1100 C LEU A 66 9.044 -3.774 1.960 1.00 0.00 C ATOM 1101 O LEU A 66 7.845 -3.619 1.734 1.00 0.00 O ATOM 1102 CB LEU A 66 9.481 -1.288 2.399 1.00 0.00 C ATOM 1103 CG LEU A 66 8.156 -0.792 1.816 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.080 -1.067 0.313 1.00 0.00 C ATOM 1105 CD2 LEU A 66 6.967 -1.392 2.569 1.00 0.00 C ATOM 0 H LEU A 66 9.698 -2.808 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 66 10.898 -2.845 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.359 -1.409 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.234 -0.514 2.249 1.00 0.00 H new ATOM 0 HG LEU A 66 8.109 0.289 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.128 -0.705 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.898 -0.553 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.160 -2.139 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.038 -1.023 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.998 -2.479 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.017 -1.102 3.619 1.00 0.00 H new