USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 418 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 40 CYS SG : rot -157:sc= 1.01 USER MOD Set 1.2: A 43 CYS SG : rot -93:sc= -1.95 USER MOD Set 1.3: A 70 CYS SG : rot -88:sc= 1.45 USER MOD Set 1.4: A 73 CYS SG : rot 20:sc= -0.867 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0.149 USER MOD Set 2.2: A 34 THR OG1 : rot -29:sc= -0.043 USER MOD Set 3.1: A 24 CYS SG : rot -148:sc= -0.936 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -0.734 USER MOD Set 3.3: A 29 CYS SG : rot -99:sc= -1.12! USER MOD Set 3.4: A 48 CYS SG : rot -150:sc= 0.32 USER MOD Set 3.5: A 51 CYS SG : rot 101:sc= 1.23 USER MOD Single : A 25 ASN : amide:sc= -1.98! C(o=-2!,f=-5.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.165 X(o=-0.17,f=-0.46) USER MOD Single : A 39 HIS : no HE2:sc= -2.13 X(o=-2.1,f=-2.1) USER MOD Single : A 42 ASN : amide:sc= -20.2! C(o=-20!,f=-24!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -86:sc= 0.587 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -132:sc= -2.65 (180deg=-4.05!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N ALA A 21 2.457 -12.267 -13.250 1.00 0.00 N ATOM 296 CA ALA A 21 3.492 -12.593 -12.276 1.00 0.00 C ATOM 297 C ALA A 21 3.431 -14.069 -11.894 1.00 0.00 C ATOM 298 O ALA A 21 2.984 -14.424 -10.804 1.00 0.00 O ATOM 299 CB ALA A 21 3.348 -11.722 -11.038 1.00 0.00 C ATOM 0 HA ALA A 21 4.462 -12.397 -12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.128 -11.978 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.442 -10.673 -11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.370 -11.890 -10.586 1.00 0.00 H new ATOM 305 N PRO A 22 3.888 -14.948 -12.799 1.00 0.00 N ATOM 306 CA PRO A 22 3.894 -16.400 -12.574 1.00 0.00 C ATOM 307 C PRO A 22 4.966 -16.833 -11.582 1.00 0.00 C ATOM 308 O PRO A 22 4.967 -17.963 -11.096 1.00 0.00 O ATOM 309 CB PRO A 22 4.199 -16.961 -13.961 1.00 0.00 C ATOM 310 CG PRO A 22 4.993 -15.893 -14.628 1.00 0.00 C ATOM 311 CD PRO A 22 4.438 -14.592 -14.120 1.00 0.00 C ATOM 0 HA PRO A 22 2.955 -16.751 -12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.761 -17.893 -13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.284 -17.178 -14.512 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.052 -15.986 -14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.904 -15.959 -15.712 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.212 -13.829 -14.041 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.668 -14.197 -14.783 1.00 0.00 H new ATOM 319 N ALA A 23 5.868 -15.911 -11.281 1.00 0.00 N ATOM 320 CA ALA A 23 6.948 -16.168 -10.337 1.00 0.00 C ATOM 321 C ALA A 23 7.094 -14.997 -9.375 1.00 0.00 C ATOM 322 O ALA A 23 6.677 -13.880 -9.682 1.00 0.00 O ATOM 323 CB ALA A 23 8.254 -16.417 -11.076 1.00 0.00 C ATOM 0 H ALA A 23 5.874 -14.972 -11.679 1.00 0.00 H new ATOM 0 HA ALA A 23 6.704 -17.062 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.049 -16.607 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.143 -17.282 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.507 -15.541 -11.673 1.00 0.00 H new ATOM 329 N CYS A 24 7.666 -15.250 -8.202 1.00 0.00 N ATOM 330 CA CYS A 24 7.834 -14.208 -7.197 1.00 0.00 C ATOM 331 C CYS A 24 8.739 -13.087 -7.694 1.00 0.00 C ATOM 332 O CYS A 24 9.887 -13.315 -8.074 1.00 0.00 O ATOM 333 CB CYS A 24 8.404 -14.804 -5.913 1.00 0.00 C ATOM 334 SG CYS A 24 8.309 -13.699 -4.489 1.00 0.00 S ATOM 0 H CYS A 24 8.020 -16.166 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 24 6.851 -13.781 -6.996 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.868 -15.725 -5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.446 -15.075 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 24 9.323 -13.914 -3.704 1.00 0.00 H new ATOM 340 N ASN A 25 8.207 -11.871 -7.670 1.00 0.00 N ATOM 341 CA ASN A 25 8.947 -10.691 -8.096 1.00 0.00 C ATOM 342 C ASN A 25 10.199 -10.489 -7.247 1.00 0.00 C ATOM 343 O ASN A 25 11.169 -9.874 -7.692 1.00 0.00 O ATOM 344 CB ASN A 25 8.053 -9.454 -8.007 1.00 0.00 C ATOM 345 CG ASN A 25 6.911 -9.496 -9.004 1.00 0.00 C ATOM 346 OD1 ASN A 25 5.745 -9.605 -8.627 1.00 0.00 O ATOM 347 ND2 ASN A 25 7.245 -9.409 -10.287 1.00 0.00 N ATOM 0 H ASN A 25 7.256 -11.676 -7.357 1.00 0.00 H new ATOM 0 HA ASN A 25 9.258 -10.841 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.649 -9.373 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.653 -8.561 -8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.521 -9.431 -11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.225 -9.320 -10.554 1.00 0.00 H new ATOM 354 N GLY A 26 10.160 -10.980 -6.010 1.00 0.00 N ATOM 355 CA GLY A 26 11.288 -10.809 -5.111 1.00 0.00 C ATOM 356 C GLY A 26 12.354 -11.883 -5.230 1.00 0.00 C ATOM 357 O GLY A 26 13.527 -11.573 -5.431 1.00 0.00 O ATOM 0 H GLY A 26 9.370 -11.491 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.745 -9.838 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.920 -10.792 -4.085 1.00 0.00 H new ATOM 361 N CYS A 27 11.964 -13.146 -5.072 1.00 0.00 N ATOM 362 CA CYS A 27 12.927 -14.245 -5.132 1.00 0.00 C ATOM 363 C CYS A 27 12.860 -15.016 -6.447 1.00 0.00 C ATOM 364 O CYS A 27 13.662 -15.922 -6.676 1.00 0.00 O ATOM 365 CB CYS A 27 12.712 -15.203 -3.958 1.00 0.00 C ATOM 366 SG CYS A 27 11.133 -16.080 -4.000 1.00 0.00 S ATOM 0 H CYS A 27 11.000 -13.433 -4.903 1.00 0.00 H new ATOM 0 HA CYS A 27 13.919 -13.798 -5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.521 -15.934 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.778 -14.640 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 27 11.045 -16.866 -2.968 1.00 0.00 H new ATOM 372 N GLY A 28 11.928 -14.654 -7.318 1.00 0.00 N ATOM 373 CA GLY A 28 11.824 -15.332 -8.597 1.00 0.00 C ATOM 374 C GLY A 28 11.288 -16.747 -8.488 1.00 0.00 C ATOM 375 O GLY A 28 11.301 -17.491 -9.468 1.00 0.00 O ATOM 0 H GLY A 28 11.247 -13.910 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.173 -14.755 -9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.807 -15.359 -9.066 1.00 0.00 H new ATOM 379 N CYS A 29 10.814 -17.128 -7.306 1.00 0.00 N ATOM 380 CA CYS A 29 10.274 -18.470 -7.116 1.00 0.00 C ATOM 381 C CYS A 29 8.955 -18.616 -7.862 1.00 0.00 C ATOM 382 O CYS A 29 8.164 -17.677 -7.938 1.00 0.00 O ATOM 383 CB CYS A 29 10.084 -18.783 -5.632 1.00 0.00 C ATOM 384 SG CYS A 29 8.619 -18.023 -4.893 1.00 0.00 S ATOM 0 H CYS A 29 10.792 -16.536 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 29 10.990 -19.185 -7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.021 -19.864 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.967 -18.449 -5.086 1.00 0.00 H new ATOM 0 HG CYS A 29 8.965 -16.945 -4.255 1.00 0.00 H new ATOM 390 N VAL A 30 8.734 -19.792 -8.431 1.00 0.00 N ATOM 391 CA VAL A 30 7.521 -20.052 -9.196 1.00 0.00 C ATOM 392 C VAL A 30 6.341 -20.388 -8.295 1.00 0.00 C ATOM 393 O VAL A 30 6.474 -21.142 -7.331 1.00 0.00 O ATOM 394 CB VAL A 30 7.714 -21.207 -10.191 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.844 -21.001 -11.420 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.179 -21.349 -10.574 1.00 0.00 C ATOM 0 H VAL A 30 9.378 -20.582 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 30 7.309 -19.132 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 30 7.404 -22.134 -9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.993 -21.828 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.796 -20.962 -11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.118 -20.065 -11.907 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.293 -22.172 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.525 -20.425 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.771 -21.552 -9.681 1.00 0.00 H new ATOM 406 N PHE A 31 5.186 -19.831 -8.627 1.00 0.00 N ATOM 407 CA PHE A 31 3.969 -20.074 -7.861 1.00 0.00 C ATOM 408 C PHE A 31 3.304 -21.368 -8.311 1.00 0.00 C ATOM 409 O PHE A 31 3.166 -21.639 -9.504 1.00 0.00 O ATOM 410 CB PHE A 31 2.997 -18.903 -8.009 1.00 0.00 C ATOM 411 CG PHE A 31 3.452 -17.658 -7.302 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.116 -17.442 -5.975 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.215 -16.707 -7.961 1.00 0.00 C ATOM 414 CE1 PHE A 31 3.534 -16.301 -5.318 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.635 -15.564 -7.308 1.00 0.00 C ATOM 416 CZ PHE A 31 4.293 -15.361 -5.985 1.00 0.00 C ATOM 0 H PHE A 31 5.064 -19.206 -9.424 1.00 0.00 H new ATOM 0 HA PHE A 31 4.242 -20.169 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.864 -18.683 -9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.022 -19.198 -7.620 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.521 -18.174 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.484 -16.861 -8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.267 -16.145 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.230 -14.830 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.619 -14.468 -5.473 1.00 0.00 H new ATOM 426 N THR A 32 2.898 -22.159 -7.328 1.00 0.00 N ATOM 427 CA THR A 32 2.245 -23.436 -7.581 1.00 0.00 C ATOM 428 C THR A 32 0.926 -23.534 -6.825 1.00 0.00 C ATOM 429 O THR A 32 0.608 -22.687 -5.991 1.00 0.00 O ATOM 430 CB THR A 32 3.164 -24.592 -7.183 1.00 0.00 C ATOM 431 OG1 THR A 32 3.336 -24.639 -5.778 1.00 0.00 O ATOM 432 CG2 THR A 32 4.538 -24.509 -7.814 1.00 0.00 C ATOM 0 H THR A 32 3.011 -21.936 -6.339 1.00 0.00 H new ATOM 0 HA THR A 32 2.034 -23.501 -8.649 1.00 0.00 H new ATOM 0 HB THR A 32 2.669 -25.492 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.926 -25.386 -5.545 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.139 -25.359 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.441 -24.525 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.024 -23.583 -7.507 1.00 0.00 H new ATOM 440 N THR A 33 0.165 -24.577 -7.126 1.00 0.00 N ATOM 441 CA THR A 33 -1.123 -24.803 -6.484 1.00 0.00 C ATOM 442 C THR A 33 -1.027 -24.638 -4.970 1.00 0.00 C ATOM 443 O THR A 33 -1.938 -24.099 -4.343 1.00 0.00 O ATOM 444 CB THR A 33 -1.637 -26.205 -6.818 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.669 -26.407 -8.220 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.026 -26.477 -6.283 1.00 0.00 C ATOM 0 H THR A 33 0.419 -25.284 -7.815 1.00 0.00 H new ATOM 0 HA THR A 33 -1.821 -24.057 -6.864 1.00 0.00 H new ATOM 0 HB THR A 33 -0.939 -26.890 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.999 -27.309 -8.413 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.329 -27.488 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.023 -26.379 -5.197 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.727 -25.760 -6.710 1.00 0.00 H new ATOM 454 N THR A 34 0.064 -25.117 -4.380 1.00 0.00 N ATOM 455 CA THR A 34 0.238 -25.021 -2.933 1.00 0.00 C ATOM 456 C THR A 34 0.615 -23.606 -2.499 1.00 0.00 C ATOM 457 O THR A 34 0.350 -23.218 -1.362 1.00 0.00 O ATOM 458 CB THR A 34 1.292 -26.017 -2.450 1.00 0.00 C ATOM 459 OG1 THR A 34 2.551 -25.738 -3.037 1.00 0.00 O ATOM 460 CG2 THR A 34 0.948 -27.457 -2.765 1.00 0.00 C ATOM 0 H THR A 34 0.833 -25.570 -4.874 1.00 0.00 H new ATOM 0 HA THR A 34 -0.720 -25.266 -2.475 1.00 0.00 H new ATOM 0 HB THR A 34 1.325 -25.898 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.418 -25.318 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.739 -28.109 -2.394 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.006 -27.720 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.852 -27.580 -3.844 1.00 0.00 H new ATOM 468 N VAL A 35 1.225 -22.831 -3.387 1.00 0.00 N ATOM 469 CA VAL A 35 1.607 -21.468 -3.036 1.00 0.00 C ATOM 470 C VAL A 35 0.565 -20.464 -3.507 1.00 0.00 C ATOM 471 O VAL A 35 0.374 -20.253 -4.705 1.00 0.00 O ATOM 472 CB VAL A 35 2.966 -21.076 -3.642 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.297 -19.627 -3.316 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.068 -21.996 -3.148 1.00 0.00 C ATOM 0 H VAL A 35 1.462 -23.115 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 35 1.680 -21.445 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 35 2.896 -21.182 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.261 -19.367 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.525 -18.976 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.342 -19.498 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.018 -21.697 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.138 -21.930 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.841 -23.023 -3.435 1.00 0.00 H new ATOM 484 N ARG A 36 -0.093 -19.844 -2.542 1.00 0.00 N ATOM 485 CA ARG A 36 -1.116 -18.842 -2.818 1.00 0.00 C ATOM 486 C ARG A 36 -0.478 -17.528 -3.250 1.00 0.00 C ATOM 487 O ARG A 36 0.614 -17.178 -2.804 1.00 0.00 O ATOM 488 CB ARG A 36 -1.985 -18.614 -1.579 1.00 0.00 C ATOM 489 CG ARG A 36 -2.757 -19.848 -1.142 1.00 0.00 C ATOM 490 CD ARG A 36 -3.684 -19.542 0.023 1.00 0.00 C ATOM 491 NE ARG A 36 -4.794 -18.680 -0.373 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.774 -18.316 0.449 1.00 0.00 C ATOM 493 NH1 ARG A 36 -5.782 -18.744 1.704 1.00 0.00 N ATOM 494 NH2 ARG A 36 -6.747 -17.526 0.016 1.00 0.00 N ATOM 0 H ARG A 36 0.064 -20.018 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.743 -19.210 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.351 -18.282 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.690 -17.808 -1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.339 -20.230 -1.981 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.058 -20.633 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.076 -20.475 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.118 -19.061 0.820 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.819 -18.338 -1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.036 -19.353 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.534 -18.464 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.745 -17.196 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.498 -17.248 0.648 1.00 0.00 H new ATOM 508 N ARG A 37 -1.172 -16.803 -4.119 1.00 0.00 N ATOM 509 CA ARG A 37 -0.680 -15.523 -4.613 1.00 0.00 C ATOM 510 C ARG A 37 -0.979 -14.409 -3.618 1.00 0.00 C ATOM 511 O ARG A 37 -2.048 -14.376 -3.010 1.00 0.00 O ATOM 512 CB ARG A 37 -1.312 -15.197 -5.968 1.00 0.00 C ATOM 513 CG ARG A 37 -0.771 -13.927 -6.599 1.00 0.00 C ATOM 514 CD ARG A 37 -1.379 -13.679 -7.968 1.00 0.00 C ATOM 515 NE ARG A 37 -2.807 -13.375 -7.887 1.00 0.00 N ATOM 516 CZ ARG A 37 -3.350 -12.226 -8.284 1.00 0.00 C ATOM 517 NH1 ARG A 37 -2.592 -11.254 -8.775 1.00 0.00 N ATOM 518 NH2 ARG A 37 -4.660 -12.048 -8.186 1.00 0.00 N ATOM 0 H ARG A 37 -2.078 -17.080 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 37 0.401 -15.599 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.144 -16.032 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.390 -15.100 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.981 -13.079 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.313 -13.998 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.859 -12.852 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.231 -14.558 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.426 -14.088 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.583 -11.383 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.018 -10.378 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.249 -12.790 -7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.079 -11.169 -8.489 1.00 0.00 H new ATOM 532 N HIS A 38 -0.025 -13.499 -3.455 1.00 0.00 N ATOM 533 CA HIS A 38 -0.187 -12.387 -2.530 1.00 0.00 C ATOM 534 C HIS A 38 0.419 -11.107 -3.094 1.00 0.00 C ATOM 535 O HIS A 38 1.197 -11.146 -4.046 1.00 0.00 O ATOM 536 CB HIS A 38 0.458 -12.721 -1.183 1.00 0.00 C ATOM 537 CG HIS A 38 -0.098 -13.956 -0.542 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.366 -14.017 -0.002 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.448 -15.180 -0.353 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.575 -15.226 0.491 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.489 -15.950 0.290 1.00 0.00 N ATOM 0 H HIS A 38 0.866 -13.511 -3.951 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.255 -12.223 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.531 -12.847 -1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.323 -11.878 -0.506 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.037 -13.249 0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.437 -15.493 -0.653 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.479 -15.564 0.975 1.00 0.00 H new ATOM 550 N HIS A 39 0.053 -9.973 -2.511 1.00 0.00 N ATOM 551 CA HIS A 39 0.560 -8.685 -2.971 1.00 0.00 C ATOM 552 C HIS A 39 1.121 -7.857 -1.821 1.00 0.00 C ATOM 553 O HIS A 39 0.608 -7.902 -0.703 1.00 0.00 O ATOM 554 CB HIS A 39 -0.550 -7.903 -3.676 1.00 0.00 C ATOM 555 CG HIS A 39 -1.016 -8.538 -4.948 1.00 0.00 C ATOM 556 ND1 HIS A 39 -2.106 -9.381 -5.015 1.00 0.00 N ATOM 557 CD2 HIS A 39 -0.533 -8.450 -6.210 1.00 0.00 C ATOM 558 CE1 HIS A 39 -2.271 -9.784 -6.263 1.00 0.00 C ATOM 559 NE2 HIS A 39 -1.331 -9.232 -7.007 1.00 0.00 N ATOM 0 H HIS A 39 -0.591 -9.918 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 39 1.371 -8.882 -3.672 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.398 -7.802 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.193 -6.896 -3.892 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.693 -9.651 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.321 -7.872 -6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.044 -10.452 -6.614 1.00 0.00 H new ATOM 568 N CYS A 40 2.158 -7.074 -2.114 1.00 0.00 N ATOM 569 CA CYS A 40 2.781 -6.196 -1.133 1.00 0.00 C ATOM 570 C CYS A 40 2.103 -4.826 -1.196 1.00 0.00 C ATOM 571 O CYS A 40 1.786 -4.330 -2.277 1.00 0.00 O ATOM 572 CB CYS A 40 4.279 -6.074 -1.430 1.00 0.00 C ATOM 573 SG CYS A 40 5.134 -4.823 -0.446 1.00 0.00 S ATOM 0 H CYS A 40 2.587 -7.033 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 40 2.663 -6.607 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.752 -7.041 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.410 -5.840 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 40 6.215 -4.449 -1.064 1.00 0.00 H new ATOM 579 N ARG A 41 1.846 -4.238 -0.028 1.00 0.00 N ATOM 580 CA ARG A 41 1.159 -2.948 0.055 1.00 0.00 C ATOM 581 C ARG A 41 2.043 -1.780 -0.381 1.00 0.00 C ATOM 582 O ARG A 41 1.581 -0.641 -0.456 1.00 0.00 O ATOM 583 CB ARG A 41 0.661 -2.715 1.481 1.00 0.00 C ATOM 584 CG ARG A 41 -0.311 -3.780 1.961 1.00 0.00 C ATOM 585 CD ARG A 41 -1.601 -3.753 1.160 1.00 0.00 C ATOM 586 NE ARG A 41 -2.603 -4.669 1.698 1.00 0.00 N ATOM 587 CZ ARG A 41 -3.820 -4.806 1.185 1.00 0.00 C ATOM 588 NH1 ARG A 41 -4.174 -4.098 0.121 1.00 0.00 N ATOM 589 NH2 ARG A 41 -4.683 -5.651 1.733 1.00 0.00 N ATOM 0 H ARG A 41 2.103 -4.635 0.876 1.00 0.00 H new ATOM 0 HA ARG A 41 0.316 -2.989 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.516 -2.683 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.176 -1.740 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.152 -4.763 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.533 -3.623 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.003 -2.740 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.389 -4.017 0.124 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.355 -5.233 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.511 -3.449 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.109 -4.203 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.412 -6.198 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.617 -5.754 1.337 1.00 0.00 H new ATOM 603 N ASN A 42 3.308 -2.059 -0.659 1.00 0.00 N ATOM 604 CA ASN A 42 4.244 -1.023 -1.079 1.00 0.00 C ATOM 605 C ASN A 42 4.471 -1.041 -2.589 1.00 0.00 C ATOM 606 O ASN A 42 4.028 -0.137 -3.299 1.00 0.00 O ATOM 607 CB ASN A 42 5.577 -1.196 -0.346 1.00 0.00 C ATOM 608 CG ASN A 42 5.485 -0.832 1.120 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.010 0.247 1.470 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.944 -1.727 1.986 1.00 0.00 N ATOM 0 H ASN A 42 3.711 -2.994 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 42 3.808 -0.058 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.908 -2.230 -0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.334 -0.575 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.911 -1.532 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.330 -2.610 1.651 1.00 0.00 H new ATOM 617 N CYS A 43 5.180 -2.051 -3.075 1.00 0.00 N ATOM 618 CA CYS A 43 5.480 -2.154 -4.501 1.00 0.00 C ATOM 619 C CYS A 43 4.280 -2.644 -5.307 1.00 0.00 C ATOM 620 O CYS A 43 4.173 -2.372 -6.503 1.00 0.00 O ATOM 621 CB CYS A 43 6.675 -3.083 -4.727 1.00 0.00 C ATOM 622 SG CYS A 43 6.388 -4.798 -4.231 1.00 0.00 S ATOM 0 H CYS A 43 5.558 -2.809 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 43 5.726 -1.152 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.942 -3.062 -5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.531 -2.696 -4.175 1.00 0.00 H new ATOM 0 HG CYS A 43 6.790 -4.969 -3.007 1.00 0.00 H new ATOM 628 N GLY A 44 3.374 -3.358 -4.647 1.00 0.00 N ATOM 629 CA GLY A 44 2.193 -3.856 -5.329 1.00 0.00 C ATOM 630 C GLY A 44 2.500 -5.024 -6.245 1.00 0.00 C ATOM 631 O GLY A 44 1.745 -5.313 -7.172 1.00 0.00 O ATOM 0 H GLY A 44 3.435 -3.600 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.453 -4.163 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.747 -3.050 -5.911 1.00 0.00 H new ATOM 635 N TYR A 45 3.606 -5.703 -5.979 1.00 0.00 N ATOM 636 CA TYR A 45 4.007 -6.850 -6.777 1.00 0.00 C ATOM 637 C TYR A 45 3.590 -8.141 -6.097 1.00 0.00 C ATOM 638 O TYR A 45 3.304 -8.161 -4.901 1.00 0.00 O ATOM 639 CB TYR A 45 5.516 -6.850 -7.018 1.00 0.00 C ATOM 640 CG TYR A 45 6.016 -5.619 -7.742 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.354 -5.135 -8.864 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.149 -4.945 -7.306 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.807 -4.013 -9.530 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.609 -3.822 -7.967 1.00 0.00 C ATOM 645 CZ TYR A 45 6.934 -3.360 -9.078 1.00 0.00 C ATOM 646 OH TYR A 45 7.388 -2.242 -9.740 1.00 0.00 O ATOM 0 H TYR A 45 4.243 -5.478 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 45 3.505 -6.779 -7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.028 -6.930 -6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.783 -7.734 -7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.471 -5.644 -9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.679 -5.304 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.281 -3.649 -10.400 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.492 -3.309 -7.616 1.00 0.00 H new ATOM 0 HH TYR A 45 8.191 -1.901 -9.293 1.00 0.00 H new ATOM 656 N VAL A 46 3.542 -9.214 -6.870 1.00 0.00 N ATOM 657 CA VAL A 46 3.145 -10.507 -6.336 1.00 0.00 C ATOM 658 C VAL A 46 4.284 -11.148 -5.553 1.00 0.00 C ATOM 659 O VAL A 46 5.405 -11.259 -6.048 1.00 0.00 O ATOM 660 CB VAL A 46 2.692 -11.471 -7.447 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.381 -12.839 -6.864 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.489 -10.907 -8.185 1.00 0.00 C ATOM 0 H VAL A 46 3.772 -9.216 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 46 2.303 -10.324 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 46 3.505 -11.583 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.062 -13.510 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.274 -13.242 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.584 -12.747 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.183 -11.602 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.666 -10.764 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.754 -9.950 -8.634 1.00 0.00 H new ATOM 672 N LEU A 47 3.987 -11.573 -4.331 1.00 0.00 N ATOM 673 CA LEU A 47 4.985 -12.210 -3.480 1.00 0.00 C ATOM 674 C LEU A 47 4.435 -13.491 -2.866 1.00 0.00 C ATOM 675 O LEU A 47 3.290 -13.530 -2.414 1.00 0.00 O ATOM 676 CB LEU A 47 5.417 -11.277 -2.340 1.00 0.00 C ATOM 677 CG LEU A 47 6.212 -10.030 -2.738 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.595 -10.403 -3.235 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.472 -9.221 -3.782 1.00 0.00 C ATOM 0 H LEU A 47 3.063 -11.488 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 47 5.843 -12.439 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.523 -10.955 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.018 -11.854 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 47 6.325 -9.412 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.138 -9.499 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.136 -10.925 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.506 -11.053 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.060 -8.342 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.314 -9.832 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.508 -8.906 -3.382 1.00 0.00 H new ATOM 691 N CYS A 48 5.266 -14.524 -2.815 1.00 0.00 N ATOM 692 CA CYS A 48 4.864 -15.786 -2.210 1.00 0.00 C ATOM 693 C CYS A 48 4.960 -15.651 -0.697 1.00 0.00 C ATOM 694 O CYS A 48 5.394 -14.613 -0.198 1.00 0.00 O ATOM 695 CB CYS A 48 5.746 -16.937 -2.702 1.00 0.00 C ATOM 696 SG CYS A 48 7.314 -17.096 -1.817 1.00 0.00 S ATOM 0 H CYS A 48 6.217 -14.513 -3.183 1.00 0.00 H new ATOM 0 HA CYS A 48 3.838 -16.014 -2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.192 -17.871 -2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.953 -16.794 -3.763 1.00 0.00 H new ATOM 0 HG CYS A 48 8.213 -17.595 -2.613 1.00 0.00 H new ATOM 702 N GLY A 49 4.555 -16.674 0.045 1.00 0.00 N ATOM 703 CA GLY A 49 4.620 -16.585 1.489 1.00 0.00 C ATOM 704 C GLY A 49 5.997 -16.184 1.980 1.00 0.00 C ATOM 705 O GLY A 49 6.137 -15.222 2.733 1.00 0.00 O ATOM 0 H GLY A 49 4.188 -17.552 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.886 -15.859 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.348 -17.547 1.923 1.00 0.00 H new ATOM 709 N ASP A 50 7.008 -16.931 1.550 1.00 0.00 N ATOM 710 CA ASP A 50 8.392 -16.678 1.946 1.00 0.00 C ATOM 711 C ASP A 50 8.843 -15.250 1.653 1.00 0.00 C ATOM 712 O ASP A 50 9.618 -14.665 2.409 1.00 0.00 O ATOM 713 CB ASP A 50 9.327 -17.668 1.256 1.00 0.00 C ATOM 714 CG ASP A 50 9.210 -19.069 1.824 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.516 -19.236 2.848 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.811 -19.998 1.244 1.00 0.00 O ATOM 0 H ASP A 50 6.894 -17.725 0.920 1.00 0.00 H new ATOM 0 HA ASP A 50 8.438 -16.813 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.103 -17.692 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.356 -17.323 1.358 1.00 0.00 H new ATOM 721 N CYS A 51 8.357 -14.698 0.551 1.00 0.00 N ATOM 722 CA CYS A 51 8.715 -13.339 0.158 1.00 0.00 C ATOM 723 C CYS A 51 7.746 -12.318 0.739 1.00 0.00 C ATOM 724 O CYS A 51 7.918 -11.113 0.556 1.00 0.00 O ATOM 725 CB CYS A 51 8.763 -13.217 -1.364 1.00 0.00 C ATOM 726 SG CYS A 51 10.395 -13.552 -2.066 1.00 0.00 S ATOM 0 H CYS A 51 7.715 -15.167 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 51 9.706 -13.128 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.041 -13.908 -1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.453 -12.212 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 51 10.420 -14.759 -2.549 1.00 0.00 H new ATOM 732 N SER A 52 6.736 -12.802 1.454 1.00 0.00 N ATOM 733 CA SER A 52 5.752 -11.934 2.081 1.00 0.00 C ATOM 734 C SER A 52 5.562 -12.339 3.538 1.00 0.00 C ATOM 735 O SER A 52 4.508 -12.102 4.129 1.00 0.00 O ATOM 736 CB SER A 52 4.419 -12.009 1.332 1.00 0.00 C ATOM 737 OG SER A 52 3.730 -13.210 1.635 1.00 0.00 O ATOM 0 H SER A 52 6.579 -13.797 1.613 1.00 0.00 H new ATOM 0 HA SER A 52 6.112 -10.906 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.799 -11.153 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.598 -11.950 0.258 1.00 0.00 H new ATOM 0 HG SER A 52 4.043 -13.925 1.042 1.00 0.00 H new ATOM 743 N ARG A 53 6.598 -12.943 4.114 1.00 0.00 N ATOM 744 CA ARG A 53 6.556 -13.371 5.506 1.00 0.00 C ATOM 745 C ARG A 53 6.838 -12.204 6.449 1.00 0.00 C ATOM 746 O ARG A 53 6.515 -12.269 7.635 1.00 0.00 O ATOM 747 CB ARG A 53 7.561 -14.502 5.766 1.00 0.00 C ATOM 748 CG ARG A 53 7.144 -15.850 5.203 1.00 0.00 C ATOM 749 CD ARG A 53 8.083 -16.952 5.668 1.00 0.00 C ATOM 750 NE ARG A 53 7.772 -18.237 5.046 1.00 0.00 N ATOM 751 CZ ARG A 53 6.860 -19.082 5.517 1.00 0.00 C ATOM 752 NH1 ARG A 53 6.169 -18.776 6.607 1.00 0.00 N ATOM 753 NH2 ARG A 53 6.637 -20.231 4.895 1.00 0.00 N ATOM 0 H ARG A 53 7.476 -13.146 3.637 1.00 0.00 H new ATOM 0 HA ARG A 53 5.550 -13.743 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.523 -14.224 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.709 -14.601 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.126 -16.079 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.140 -15.807 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.111 -16.675 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.019 -17.049 6.752 1.00 0.00 H new ATOM 0 HE ARG A 53 8.283 -18.500 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.337 -17.891 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.470 -19.426 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.165 -20.467 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.937 -20.879 5.256 1.00 0.00 H new ATOM 767 N HIS A 54 7.449 -11.141 5.930 1.00 0.00 N ATOM 768 CA HIS A 54 7.772 -9.982 6.756 1.00 0.00 C ATOM 769 C HIS A 54 6.561 -9.082 6.949 1.00 0.00 C ATOM 770 O HIS A 54 5.580 -9.166 6.210 1.00 0.00 O ATOM 771 CB HIS A 54 8.903 -9.165 6.127 1.00 0.00 C ATOM 772 CG HIS A 54 10.218 -9.880 6.084 1.00 0.00 C ATOM 773 ND1 HIS A 54 11.000 -10.089 7.201 1.00 0.00 N ATOM 774 CD2 HIS A 54 10.894 -10.430 5.047 1.00 0.00 C ATOM 775 CE1 HIS A 54 12.098 -10.736 6.854 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.058 -10.954 5.553 1.00 0.00 N ATOM 0 H HIS A 54 7.727 -11.059 4.952 1.00 0.00 H new ATOM 0 HA HIS A 54 8.090 -10.361 7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.617 -8.889 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.023 -8.238 6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 54 10.577 -10.452 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.893 -11.035 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.776 -11.434 5.011 1.00 0.00 H new ATOM 785 N ARG A 55 6.649 -8.206 7.942 1.00 0.00 N ATOM 786 CA ARG A 55 5.576 -7.268 8.232 1.00 0.00 C ATOM 787 C ARG A 55 6.152 -5.895 8.579 1.00 0.00 C ATOM 788 O ARG A 55 7.134 -5.792 9.313 1.00 0.00 O ATOM 789 CB ARG A 55 4.699 -7.790 9.372 1.00 0.00 C ATOM 790 CG ARG A 55 4.053 -9.133 9.067 1.00 0.00 C ATOM 791 CD ARG A 55 3.095 -9.559 10.170 1.00 0.00 C ATOM 792 NE ARG A 55 3.736 -9.569 11.481 1.00 0.00 N ATOM 793 CZ ARG A 55 3.773 -8.518 12.294 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.204 -7.376 11.936 1.00 0.00 N ATOM 795 NH2 ARG A 55 4.380 -8.609 13.469 1.00 0.00 N ATOM 0 H ARG A 55 7.456 -8.127 8.561 1.00 0.00 H new ATOM 0 HA ARG A 55 4.953 -7.167 7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.304 -7.882 10.274 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.919 -7.059 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.515 -9.072 8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.827 -9.890 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.241 -8.882 10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.708 -10.554 9.949 1.00 0.00 H new ATOM 0 HE ARG A 55 4.181 -10.432 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.735 -7.301 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.235 -6.572 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.819 -9.486 13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.408 -7.802 14.092 1.00 0.00 H new ATOM 809 N ALA A 56 5.541 -4.851 8.042 1.00 0.00 N ATOM 810 CA ALA A 56 6.009 -3.491 8.298 1.00 0.00 C ATOM 811 C ALA A 56 4.920 -2.459 8.050 1.00 0.00 C ATOM 812 O ALA A 56 4.013 -2.680 7.248 1.00 0.00 O ATOM 813 CB ALA A 56 7.224 -3.187 7.434 1.00 0.00 C ATOM 0 H ALA A 56 4.727 -4.914 7.431 1.00 0.00 H new ATOM 0 HA ALA A 56 6.285 -3.430 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.566 -2.171 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.023 -3.891 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.955 -3.281 6.382 1.00 0.00 H new ATOM 819 N ALA A 57 5.032 -1.312 8.716 1.00 0.00 N ATOM 820 CA ALA A 57 4.077 -0.229 8.540 1.00 0.00 C ATOM 821 C ALA A 57 4.563 0.695 7.436 1.00 0.00 C ATOM 822 O ALA A 57 5.766 0.799 7.195 1.00 0.00 O ATOM 823 CB ALA A 57 3.890 0.541 9.840 1.00 0.00 C ATOM 0 H ALA A 57 5.777 -1.112 9.383 1.00 0.00 H new ATOM 0 HA ALA A 57 3.110 -0.647 8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.172 1.346 9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.519 -0.133 10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.845 0.962 10.154 1.00 0.00 H new ATOM 829 N ILE A 58 3.639 1.354 6.754 1.00 0.00 N ATOM 830 CA ILE A 58 3.995 2.251 5.668 1.00 0.00 C ATOM 831 C ILE A 58 3.344 3.619 5.852 1.00 0.00 C ATOM 832 O ILE A 58 2.321 3.922 5.240 1.00 0.00 O ATOM 833 CB ILE A 58 3.565 1.651 4.321 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.707 0.126 4.360 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.394 2.244 3.194 1.00 0.00 C ATOM 836 CD1 ILE A 58 3.150 -0.569 3.137 1.00 0.00 C ATOM 0 H ILE A 58 2.637 1.284 6.934 1.00 0.00 H new ATOM 0 HA ILE A 58 5.078 2.378 5.678 1.00 0.00 H new ATOM 0 HB ILE A 58 2.519 1.895 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.762 -0.129 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.199 -0.255 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.080 1.811 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.250 3.324 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.448 2.023 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.286 -1.646 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.087 -0.345 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.674 -0.218 2.248 1.00 0.00 H new ATOM 848 N PRO A 59 3.930 4.456 6.722 1.00 0.00 N ATOM 849 CA PRO A 59 3.411 5.796 7.023 1.00 0.00 C ATOM 850 C PRO A 59 3.423 6.750 5.831 1.00 0.00 C ATOM 851 O PRO A 59 2.825 7.823 5.893 1.00 0.00 O ATOM 852 CB PRO A 59 4.330 6.304 8.136 1.00 0.00 C ATOM 853 CG PRO A 59 5.578 5.502 7.996 1.00 0.00 C ATOM 854 CD PRO A 59 5.142 4.151 7.501 1.00 0.00 C ATOM 0 HA PRO A 59 2.359 5.748 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.531 7.370 8.027 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.877 6.163 9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.268 5.971 7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.099 5.420 8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.909 3.680 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.931 3.469 8.324 1.00 0.00 H new ATOM 862 N MET A 60 4.069 6.359 4.737 1.00 0.00 N ATOM 863 CA MET A 60 4.095 7.202 3.544 1.00 0.00 C ATOM 864 C MET A 60 2.887 6.881 2.679 1.00 0.00 C ATOM 865 O MET A 60 2.278 7.763 2.075 1.00 0.00 O ATOM 866 CB MET A 60 5.384 6.970 2.750 1.00 0.00 C ATOM 867 CG MET A 60 6.638 7.402 3.491 1.00 0.00 C ATOM 868 SD MET A 60 8.117 7.314 2.463 1.00 0.00 S ATOM 869 CE MET A 60 8.140 5.570 2.057 1.00 0.00 C ATOM 0 H MET A 60 4.575 5.478 4.650 1.00 0.00 H new ATOM 0 HA MET A 60 4.063 8.249 3.846 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.464 5.911 2.503 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.323 7.513 1.807 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.510 8.423 3.850 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.772 6.770 4.369 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.140 5.170 2.226 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.426 5.040 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.868 5.437 1.010 1.00 0.00 H new ATOM 879 N ARG A 61 2.558 5.600 2.641 1.00 0.00 N ATOM 880 CA ARG A 61 1.426 5.114 1.867 1.00 0.00 C ATOM 881 C ARG A 61 0.131 5.279 2.656 1.00 0.00 C ATOM 882 O ARG A 61 -0.950 4.913 2.192 1.00 0.00 O ATOM 883 CB ARG A 61 1.645 3.645 1.509 1.00 0.00 C ATOM 884 CG ARG A 61 2.971 3.396 0.806 1.00 0.00 C ATOM 885 CD ARG A 61 3.051 4.129 -0.520 1.00 0.00 C ATOM 886 NE ARG A 61 2.102 3.603 -1.495 1.00 0.00 N ATOM 887 CZ ARG A 61 1.869 4.169 -2.674 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.515 5.273 -3.023 1.00 0.00 N ATOM 889 NH2 ARG A 61 0.989 3.630 -3.505 1.00 0.00 N ATOM 0 H ARG A 61 3.065 4.871 3.143 1.00 0.00 H new ATOM 0 HA ARG A 61 1.345 5.698 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.604 3.045 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.831 3.308 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.790 3.718 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.099 2.327 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.856 5.189 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.062 4.048 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 61 1.589 2.754 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.193 5.690 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.334 5.705 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.491 2.781 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.810 4.064 -4.410 1.00 0.00 H new ATOM 903 N GLY A 62 0.261 5.836 3.855 1.00 0.00 N ATOM 904 CA GLY A 62 -0.891 6.052 4.708 1.00 0.00 C ATOM 905 C GLY A 62 -1.106 4.917 5.685 1.00 0.00 C ATOM 906 O GLY A 62 -2.114 4.880 6.392 1.00 0.00 O ATOM 0 H GLY A 62 1.149 6.143 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.762 6.983 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.781 6.169 4.089 1.00 0.00 H new ATOM 910 N ILE A 63 -0.156 3.991 5.732 1.00 0.00 N ATOM 911 CA ILE A 63 -0.241 2.853 6.631 1.00 0.00 C ATOM 912 C ILE A 63 0.549 3.130 7.905 1.00 0.00 C ATOM 913 O ILE A 63 1.777 3.046 7.919 1.00 0.00 O ATOM 914 CB ILE A 63 0.305 1.587 5.938 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.483 1.317 4.655 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.245 0.384 6.869 1.00 0.00 C ATOM 917 CD1 ILE A 63 0.152 0.275 3.763 1.00 0.00 C ATOM 0 H ILE A 63 0.684 4.009 5.154 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.287 2.690 6.892 1.00 0.00 H new ATOM 0 HB ILE A 63 1.351 1.755 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.490 0.993 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.583 2.248 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.636 -0.494 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.845 0.581 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.789 0.202 7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.461 0.136 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.148 0.606 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.228 -0.669 4.303 1.00 0.00 H new ATOM 929 N THR A 64 -0.167 3.473 8.973 1.00 0.00 N ATOM 930 CA THR A 64 0.467 3.776 10.251 1.00 0.00 C ATOM 931 C THR A 64 0.649 2.520 11.092 1.00 0.00 C ATOM 932 O THR A 64 1.470 2.492 12.009 1.00 0.00 O ATOM 933 CB THR A 64 -0.351 4.814 11.017 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.673 4.353 11.236 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.436 6.148 10.304 1.00 0.00 C ATOM 0 H THR A 64 -1.184 3.548 8.978 1.00 0.00 H new ATOM 0 HA THR A 64 1.455 4.186 10.045 1.00 0.00 H new ATOM 0 HB THR A 64 0.173 4.958 11.962 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.179 5.032 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.030 6.841 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.567 6.553 10.169 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.906 6.011 9.330 1.00 0.00 H new ATOM 943 N GLU A 65 -0.099 1.473 10.764 1.00 0.00 N ATOM 944 CA GLU A 65 0.002 0.208 11.478 1.00 0.00 C ATOM 945 C GLU A 65 0.782 -0.785 10.632 1.00 0.00 C ATOM 946 O GLU A 65 0.601 -0.846 9.418 1.00 0.00 O ATOM 947 CB GLU A 65 -1.388 -0.347 11.790 1.00 0.00 C ATOM 948 CG GLU A 65 -2.193 0.530 12.735 1.00 0.00 C ATOM 949 CD GLU A 65 -2.293 -0.056 14.130 1.00 0.00 C ATOM 950 OE1 GLU A 65 -1.241 -0.419 14.698 1.00 0.00 O ATOM 951 OE2 GLU A 65 -3.422 -0.151 14.655 1.00 0.00 O ATOM 0 H GLU A 65 -0.783 1.476 10.007 1.00 0.00 H new ATOM 0 HA GLU A 65 0.523 0.373 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.941 -0.466 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.284 -1.340 12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.732 1.516 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.196 0.669 12.330 1.00 0.00 H new ATOM 958 N PRO A 66 1.677 -1.567 11.248 1.00 0.00 N ATOM 959 CA PRO A 66 2.485 -2.535 10.512 1.00 0.00 C ATOM 960 C PRO A 66 1.629 -3.463 9.658 1.00 0.00 C ATOM 961 O PRO A 66 0.718 -4.124 10.156 1.00 0.00 O ATOM 962 CB PRO A 66 3.216 -3.310 11.611 1.00 0.00 C ATOM 963 CG PRO A 66 3.238 -2.384 12.781 1.00 0.00 C ATOM 964 CD PRO A 66 1.984 -1.556 12.687 1.00 0.00 C ATOM 0 HA PRO A 66 3.163 -2.054 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.698 -4.239 11.851 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.226 -3.579 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.267 -2.941 13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.125 -1.751 12.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.173 -1.986 13.274 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.142 -0.543 13.057 1.00 0.00 H new ATOM 972 N GLU A 67 1.933 -3.495 8.365 1.00 0.00 N ATOM 973 CA GLU A 67 1.207 -4.326 7.416 1.00 0.00 C ATOM 974 C GLU A 67 2.167 -5.227 6.647 1.00 0.00 C ATOM 975 O GLU A 67 3.383 -5.044 6.700 1.00 0.00 O ATOM 976 CB GLU A 67 0.414 -3.450 6.442 1.00 0.00 C ATOM 977 CG GLU A 67 -0.656 -2.604 7.111 1.00 0.00 C ATOM 978 CD GLU A 67 -1.504 -1.844 6.111 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.166 -1.868 4.908 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.506 -1.227 6.529 1.00 0.00 O ATOM 0 H GLU A 67 2.686 -2.948 7.948 1.00 0.00 H new ATOM 0 HA GLU A 67 0.512 -4.955 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.105 -2.794 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.056 -4.088 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.298 -3.246 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.183 -1.897 7.792 1.00 0.00 H new ATOM 987 N ARG A 68 1.613 -6.208 5.943 1.00 0.00 N ATOM 988 CA ARG A 68 2.413 -7.153 5.172 1.00 0.00 C ATOM 989 C ARG A 68 3.058 -6.495 3.954 1.00 0.00 C ATOM 990 O ARG A 68 2.424 -5.737 3.219 1.00 0.00 O ATOM 991 CB ARG A 68 1.543 -8.332 4.741 1.00 0.00 C ATOM 992 CG ARG A 68 0.407 -7.941 3.809 1.00 0.00 C ATOM 993 CD ARG A 68 -0.587 -9.078 3.634 1.00 0.00 C ATOM 994 NE ARG A 68 -1.621 -8.759 2.654 1.00 0.00 N ATOM 995 CZ ARG A 68 -2.385 -9.673 2.065 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.228 -10.958 2.353 1.00 0.00 N ATOM 997 NH2 ARG A 68 -3.305 -9.303 1.186 1.00 0.00 N ATOM 0 H ARG A 68 0.607 -6.370 5.890 1.00 0.00 H new ATOM 0 HA ARG A 68 3.221 -7.509 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.170 -9.073 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.126 -8.809 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.106 -7.066 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.813 -7.658 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.057 -9.977 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.054 -9.301 4.593 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.765 -7.780 2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.520 -11.247 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.816 -11.658 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.427 -8.316 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.891 -10.005 0.735 1.00 0.00 H new ATOM 1011 N VAL A 69 4.330 -6.824 3.754 1.00 0.00 N ATOM 1012 CA VAL A 69 5.118 -6.319 2.633 1.00 0.00 C ATOM 1013 C VAL A 69 6.093 -7.388 2.159 1.00 0.00 C ATOM 1014 O VAL A 69 6.157 -8.476 2.730 1.00 0.00 O ATOM 1015 CB VAL A 69 5.923 -5.065 3.015 1.00 0.00 C ATOM 1016 CG1 VAL A 69 4.986 -3.914 3.350 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.869 -5.368 4.172 1.00 0.00 C ATOM 0 H VAL A 69 4.847 -7.453 4.369 1.00 0.00 H new ATOM 0 HA VAL A 69 4.416 -6.057 1.841 1.00 0.00 H new ATOM 0 HB VAL A 69 6.530 -4.764 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.571 -3.035 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.365 -3.686 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.349 -4.195 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.430 -4.469 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.292 -5.695 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.562 -6.157 3.879 1.00 0.00 H new ATOM 1027 N CYS A 70 6.869 -7.065 1.132 1.00 0.00 N ATOM 1028 CA CYS A 70 7.861 -7.986 0.606 1.00 0.00 C ATOM 1029 C CYS A 70 9.219 -7.677 1.222 1.00 0.00 C ATOM 1030 O CYS A 70 9.303 -6.951 2.213 1.00 0.00 O ATOM 1031 CB CYS A 70 7.927 -7.909 -0.923 1.00 0.00 C ATOM 1032 SG CYS A 70 9.054 -6.656 -1.567 1.00 0.00 S ATOM 0 H CYS A 70 6.828 -6.168 0.647 1.00 0.00 H new ATOM 0 HA CYS A 70 7.572 -9.003 0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.229 -8.883 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.926 -7.710 -1.307 1.00 0.00 H new ATOM 0 HG CYS A 70 8.427 -5.522 -1.674 1.00 0.00 H new ATOM 1038 N ASP A 71 10.275 -8.237 0.658 1.00 0.00 N ATOM 1039 CA ASP A 71 11.615 -8.011 1.197 1.00 0.00 C ATOM 1040 C ASP A 71 12.203 -6.659 0.775 1.00 0.00 C ATOM 1041 O ASP A 71 12.811 -5.968 1.593 1.00 0.00 O ATOM 1042 CB ASP A 71 12.558 -9.153 0.807 1.00 0.00 C ATOM 1043 CG ASP A 71 12.715 -9.302 -0.696 1.00 0.00 C ATOM 1044 OD1 ASP A 71 12.095 -8.514 -1.441 1.00 0.00 O ATOM 1045 OD2 ASP A 71 13.459 -10.207 -1.129 1.00 0.00 O ATOM 0 H ASP A 71 10.238 -8.844 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 71 11.515 -7.988 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.537 -8.978 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.180 -10.087 1.222 1.00 0.00 H new ATOM 1050 N ALA A 72 12.036 -6.283 -0.487 1.00 0.00 N ATOM 1051 CA ALA A 72 12.573 -5.013 -0.974 1.00 0.00 C ATOM 1052 C ALA A 72 11.854 -3.819 -0.349 1.00 0.00 C ATOM 1053 O ALA A 72 12.492 -2.868 0.103 1.00 0.00 O ATOM 1054 CB ALA A 72 12.485 -4.948 -2.492 1.00 0.00 C ATOM 0 H ALA A 72 11.538 -6.832 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 72 13.620 -4.961 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.888 -3.997 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.060 -5.766 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.443 -5.034 -2.800 1.00 0.00 H new ATOM 1060 N CYS A 73 10.528 -3.878 -0.316 1.00 0.00 N ATOM 1061 CA CYS A 73 9.727 -2.805 0.264 1.00 0.00 C ATOM 1062 C CYS A 73 10.020 -2.672 1.749 1.00 0.00 C ATOM 1063 O CYS A 73 10.151 -1.563 2.268 1.00 0.00 O ATOM 1064 CB CYS A 73 8.240 -3.079 0.043 1.00 0.00 C ATOM 1065 SG CYS A 73 7.817 -3.417 -1.679 1.00 0.00 S ATOM 0 H CYS A 73 9.984 -4.658 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 73 9.989 -1.869 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.941 -3.929 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.665 -2.219 0.388 1.00 0.00 H new ATOM 0 HG CYS A 73 8.886 -3.774 -2.327 1.00 0.00 H new ATOM 1071 N TYR A 74 10.145 -3.801 2.427 1.00 0.00 N ATOM 1072 CA TYR A 74 10.452 -3.791 3.846 1.00 0.00 C ATOM 1073 C TYR A 74 11.740 -3.014 4.081 1.00 0.00 C ATOM 1074 O TYR A 74 11.856 -2.253 5.039 1.00 0.00 O ATOM 1075 CB TYR A 74 10.591 -5.221 4.375 1.00 0.00 C ATOM 1076 CG TYR A 74 10.859 -5.298 5.862 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.814 -5.334 6.777 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.159 -5.330 6.351 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.057 -5.401 8.137 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.411 -5.398 7.709 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.356 -5.433 8.597 1.00 0.00 C ATOM 1082 OH TYR A 74 11.602 -5.499 9.950 1.00 0.00 O ATOM 0 H TYR A 74 10.039 -4.730 2.020 1.00 0.00 H new ATOM 0 HA TYR A 74 9.636 -3.307 4.383 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.678 -5.772 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.402 -5.718 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.795 -5.309 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.987 -5.301 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.233 -5.428 8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.428 -5.424 8.072 1.00 0.00 H new ATOM 0 HH TYR A 74 12.569 -5.515 10.106 1.00 0.00 H new ATOM 1092 N LEU A 75 12.705 -3.216 3.189 1.00 0.00 N ATOM 1093 CA LEU A 75 13.997 -2.546 3.280 1.00 0.00 C ATOM 1094 C LEU A 75 13.906 -1.063 2.923 1.00 0.00 C ATOM 1095 O LEU A 75 14.396 -0.210 3.661 1.00 0.00 O ATOM 1096 CB LEU A 75 15.009 -3.240 2.371 1.00 0.00 C ATOM 1097 CG LEU A 75 15.792 -4.378 3.028 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.351 -5.323 1.975 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.911 -3.822 3.897 1.00 0.00 C ATOM 0 H LEU A 75 12.615 -3.843 2.390 1.00 0.00 H new ATOM 0 HA LEU A 75 14.326 -2.612 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.483 -3.635 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.716 -2.496 2.005 1.00 0.00 H new ATOM 0 HG LEU A 75 15.110 -4.942 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.904 -6.125 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.531 -5.748 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.018 -4.774 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.458 -4.645 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.591 -3.233 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.486 -3.189 4.676 1.00 0.00 H new ATOM 1111 N ALA A 76 13.296 -0.759 1.777 1.00 0.00 N ATOM 1112 CA ALA A 76 13.174 0.628 1.330 1.00 0.00 C ATOM 1113 C ALA A 76 12.587 1.497 2.431 1.00 0.00 C ATOM 1114 O ALA A 76 13.141 2.546 2.761 1.00 0.00 O ATOM 1115 CB ALA A 76 12.330 0.713 0.067 1.00 0.00 C ATOM 0 H ALA A 76 12.883 -1.447 1.147 1.00 0.00 H new ATOM 0 HA ALA A 76 14.171 1.001 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.252 1.753 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.799 0.128 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.334 0.319 0.268 1.00 0.00 H new ATOM 1121 N LEU A 77 11.492 1.048 3.025 1.00 0.00 N ATOM 1122 CA LEU A 77 10.885 1.792 4.118 1.00 0.00 C ATOM 1123 C LEU A 77 11.852 1.786 5.294 1.00 0.00 C ATOM 1124 O LEU A 77 12.061 2.796 5.966 1.00 0.00 O ATOM 1125 CB LEU A 77 9.543 1.168 4.510 1.00 0.00 C ATOM 1126 CG LEU A 77 8.466 1.199 3.419 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.320 0.265 3.777 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.949 2.618 3.210 1.00 0.00 C ATOM 0 H LEU A 77 11.011 0.184 2.773 1.00 0.00 H new ATOM 0 HA LEU A 77 10.689 2.819 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.713 0.131 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.162 1.687 5.389 1.00 0.00 H new ATOM 0 HG LEU A 77 8.915 0.858 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.564 0.299 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.697 -0.753 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.876 0.579 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.186 2.616 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.518 2.989 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.773 3.265 2.909 1.00 0.00 H new