USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 29 HIS : no HD1:sc= 0.0671 K(o=0.75,f=-9.3!) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= -0.0219 USER MOD Set 1.3: A 64 GLN : amide:sc= 0.706 K(o=0.75,f=-2.7!) USER MOD Set 1.4: A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.001) USER MOD Single : A 35 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -6:sc= 0.383 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc=-0.00296 (180deg=-0.311) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 59 MET CE :methyl 174:sc= -2.06! (180deg=-2.18) USER MOD Single : A 61 MET CE :methyl 158:sc= -0.0858 (180deg=-0.481) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 158:sc= -3.64! (180deg=-4.67!) USER MOD Single : A 71 THR OG1 : rot -84:sc= 0.888 USER MOD Single : A 76 MET CE :methyl 138:sc= -5.98! (180deg=-10.4!) USER MOD Single : A 78 MET CE :methyl -116:sc= -4.16! (180deg=-6.21!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -24:sc= -0.991 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 94:sc= 0.235 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.919 8.803 -9.428 1.00 0.00 N ATOM 356 CA GLY A 25 -7.782 8.678 -8.535 1.00 0.00 C ATOM 357 C GLY A 25 -7.670 7.293 -7.928 1.00 0.00 C ATOM 358 O GLY A 25 -8.543 6.867 -7.172 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.867 8.906 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.868 9.415 -7.737 1.00 0.00 H new ATOM 362 N ARG A 26 -6.595 6.587 -8.262 1.00 0.00 N ATOM 363 CA ARG A 26 -6.375 5.241 -7.747 1.00 0.00 C ATOM 364 C ARG A 26 -4.964 5.099 -7.182 1.00 0.00 C ATOM 365 O ARG A 26 -3.994 4.977 -7.930 1.00 0.00 O ATOM 366 CB ARG A 26 -6.600 4.206 -8.852 1.00 0.00 C ATOM 367 CG ARG A 26 -7.875 4.432 -9.647 1.00 0.00 C ATOM 368 CD ARG A 26 -7.592 4.526 -11.138 1.00 0.00 C ATOM 369 NE ARG A 26 -7.595 5.907 -11.611 1.00 0.00 N ATOM 370 CZ ARG A 26 -7.500 6.247 -12.892 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.395 5.309 -13.823 1.00 0.00 N ATOM 372 NH2 ARG A 26 -7.510 7.526 -13.243 1.00 0.00 N ATOM 0 H ARG A 26 -5.863 6.925 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.089 5.065 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.749 4.223 -9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.631 3.212 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.572 3.616 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.358 5.348 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.625 4.072 -11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.341 3.954 -11.686 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.674 6.653 -10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.387 4.324 -13.556 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.322 5.572 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.591 8.250 -12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.437 7.785 -14.227 1.00 0.00 H new ATOM 386 N VAL A 27 -4.860 5.116 -5.857 1.00 0.00 N ATOM 387 CA VAL A 27 -3.569 4.988 -5.191 1.00 0.00 C ATOM 388 C VAL A 27 -3.647 4.012 -4.023 1.00 0.00 C ATOM 389 O VAL A 27 -4.244 4.312 -2.989 1.00 0.00 O ATOM 390 CB VAL A 27 -3.067 6.351 -4.674 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.964 6.157 -3.645 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.584 7.213 -5.831 1.00 0.00 C ATOM 0 H VAL A 27 -5.653 5.217 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.867 4.607 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.896 6.866 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.622 7.129 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.348 5.579 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.131 5.623 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.233 8.172 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.767 6.707 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.405 7.379 -6.528 1.00 0.00 H new ATOM 402 N ILE A 28 -3.039 2.843 -4.195 1.00 0.00 N ATOM 403 CA ILE A 28 -3.039 1.822 -3.155 1.00 0.00 C ATOM 404 C ILE A 28 -2.029 2.153 -2.061 1.00 0.00 C ATOM 405 O ILE A 28 -0.819 2.039 -2.263 1.00 0.00 O ATOM 406 CB ILE A 28 -2.718 0.430 -3.730 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.828 -0.021 -4.682 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.534 -0.579 -2.607 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.062 -0.530 -3.972 1.00 0.00 C ATOM 0 H ILE A 28 -2.540 2.580 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.042 1.806 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.786 0.492 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.107 0.815 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.442 -0.807 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.308 -1.558 -3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.712 -0.263 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.450 -0.641 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.807 -0.832 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.797 -1.386 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.473 0.261 -3.344 1.00 0.00 H new ATOM 421 N HIS A 29 -2.534 2.561 -0.901 1.00 0.00 N ATOM 422 CA HIS A 29 -1.675 2.906 0.227 1.00 0.00 C ATOM 423 C HIS A 29 -1.275 1.658 1.007 1.00 0.00 C ATOM 424 O HIS A 29 -2.125 0.964 1.568 1.00 0.00 O ATOM 425 CB HIS A 29 -2.386 3.894 1.153 1.00 0.00 C ATOM 426 CG HIS A 29 -1.459 4.628 2.071 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.752 5.865 2.605 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.239 4.292 2.552 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.751 6.259 3.372 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.180 5.322 3.357 1.00 0.00 N ATOM 0 H HIS A 29 -3.532 2.661 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.772 3.373 -0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.933 4.617 0.548 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.123 3.355 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.304 3.382 2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.702 7.189 3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.066 5.358 3.861 1.00 0.00 H new ATOM 438 N LEU A 30 0.023 1.377 1.039 1.00 0.00 N ATOM 439 CA LEU A 30 0.537 0.211 1.749 1.00 0.00 C ATOM 440 C LEU A 30 1.351 0.632 2.969 1.00 0.00 C ATOM 441 O LEU A 30 2.428 1.213 2.838 1.00 0.00 O ATOM 442 CB LEU A 30 1.398 -0.641 0.816 1.00 0.00 C ATOM 443 CG LEU A 30 0.718 -1.134 -0.462 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.754 -1.609 -1.469 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.269 -2.247 -0.146 1.00 0.00 C ATOM 0 H LEU A 30 0.739 1.941 0.581 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.313 -0.381 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.277 -0.061 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.753 -1.508 1.373 1.00 0.00 H new ATOM 0 HG LEU A 30 0.168 -0.302 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.251 -1.956 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.422 -0.785 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.332 -2.427 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.743 -2.585 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.259 -3.080 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.031 -1.874 0.538 1.00 0.00 H new ATOM 457 N SER A 31 0.830 0.332 4.154 1.00 0.00 N ATOM 458 CA SER A 31 1.508 0.680 5.397 1.00 0.00 C ATOM 459 C SER A 31 1.985 -0.573 6.125 1.00 0.00 C ATOM 460 O SER A 31 1.529 -1.679 5.843 1.00 0.00 O ATOM 461 CB SER A 31 0.575 1.486 6.303 1.00 0.00 C ATOM 462 OG SER A 31 0.238 2.729 5.712 1.00 0.00 O ATOM 0 H SER A 31 -0.059 -0.151 4.280 1.00 0.00 H new ATOM 0 HA SER A 31 2.378 1.289 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.332 0.914 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.056 1.656 7.266 1.00 0.00 H new ATOM 0 HG SER A 31 -0.360 3.224 6.310 1.00 0.00 H new ATOM 468 N ASN A 32 2.908 -0.389 7.065 1.00 0.00 N ATOM 469 CA ASN A 32 3.447 -1.504 7.835 1.00 0.00 C ATOM 470 C ASN A 32 4.145 -2.507 6.921 1.00 0.00 C ATOM 471 O ASN A 32 3.899 -3.712 7.000 1.00 0.00 O ATOM 472 CB ASN A 32 2.332 -2.199 8.616 1.00 0.00 C ATOM 473 CG ASN A 32 2.855 -2.962 9.817 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.018 -2.401 10.900 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.123 -4.250 9.629 1.00 0.00 N ATOM 0 H ASN A 32 3.297 0.521 7.311 1.00 0.00 H new ATOM 0 HA ASN A 32 4.179 -1.107 8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.608 -1.456 8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.803 -2.886 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.479 -4.815 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.973 -4.674 8.714 1.00 0.00 H new ATOM 482 N LEU A 33 5.019 -2.003 6.056 1.00 0.00 N ATOM 483 CA LEU A 33 5.754 -2.855 5.127 1.00 0.00 C ATOM 484 C LEU A 33 7.019 -3.405 5.778 1.00 0.00 C ATOM 485 O LEU A 33 7.558 -2.832 6.725 1.00 0.00 O ATOM 486 CB LEU A 33 6.116 -2.072 3.864 1.00 0.00 C ATOM 487 CG LEU A 33 4.984 -1.864 2.856 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.445 -0.974 1.712 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.488 -3.202 2.328 1.00 0.00 C ATOM 0 H LEU A 33 5.236 -1.009 5.979 1.00 0.00 H new ATOM 0 HA LEU A 33 5.113 -3.694 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.494 -1.094 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.933 -2.590 3.361 1.00 0.00 H new ATOM 0 HG LEU A 33 4.157 -1.368 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.627 -0.837 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.750 -0.005 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.289 -1.442 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.683 -3.035 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.308 -3.726 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.117 -3.805 3.157 1.00 0.00 H new ATOM 501 N PRO A 34 7.506 -4.541 5.258 1.00 0.00 N ATOM 502 CA PRO A 34 8.716 -5.191 5.772 1.00 0.00 C ATOM 503 C PRO A 34 9.978 -4.394 5.464 1.00 0.00 C ATOM 504 O PRO A 34 9.911 -3.213 5.121 1.00 0.00 O ATOM 505 CB PRO A 34 8.737 -6.533 5.034 1.00 0.00 C ATOM 506 CG PRO A 34 7.973 -6.287 3.779 1.00 0.00 C ATOM 507 CD PRO A 34 6.915 -5.278 4.129 1.00 0.00 C ATOM 0 HA PRO A 34 8.698 -5.285 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.757 -6.851 4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.276 -7.320 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.626 -5.910 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.525 -7.209 3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.696 -4.618 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.978 -5.759 4.410 1.00 0.00 H new ATOM 515 N HIS A 35 11.130 -5.046 5.587 1.00 0.00 N ATOM 516 CA HIS A 35 12.408 -4.397 5.320 1.00 0.00 C ATOM 517 C HIS A 35 13.558 -5.394 5.436 1.00 0.00 C ATOM 518 O HIS A 35 14.473 -5.210 6.238 1.00 0.00 O ATOM 519 CB HIS A 35 12.627 -3.235 6.289 1.00 0.00 C ATOM 520 CG HIS A 35 13.216 -2.019 5.644 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.452 -0.969 5.179 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.503 -1.688 5.388 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.244 -0.046 4.664 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.494 -0.458 4.779 1.00 0.00 N ATOM 0 H HIS A 35 11.204 -6.023 5.870 1.00 0.00 H new ATOM 0 HA HIS A 35 12.385 -4.011 4.301 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.673 -2.968 6.745 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.284 -3.563 7.094 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.375 -2.281 5.620 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.924 0.887 4.224 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.318 0.055 4.466 1.00 0.00 H new ATOM 532 N SER A 36 13.503 -6.450 4.630 1.00 0.00 N ATOM 533 CA SER A 36 14.537 -7.478 4.645 1.00 0.00 C ATOM 534 C SER A 36 15.349 -7.450 3.354 1.00 0.00 C ATOM 535 O SER A 36 16.028 -8.418 3.013 1.00 0.00 O ATOM 536 CB SER A 36 13.909 -8.859 4.837 1.00 0.00 C ATOM 537 OG SER A 36 13.990 -9.272 6.190 1.00 0.00 O ATOM 0 H SER A 36 12.753 -6.616 3.959 1.00 0.00 H new ATOM 0 HA SER A 36 15.208 -7.273 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.866 -8.834 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.416 -9.584 4.201 1.00 0.00 H new ATOM 0 HG SER A 36 13.580 -10.157 6.287 1.00 0.00 H new ATOM 543 N GLY A 37 15.273 -6.333 2.637 1.00 0.00 N ATOM 544 CA GLY A 37 16.005 -6.200 1.392 1.00 0.00 C ATOM 545 C GLY A 37 15.273 -6.822 0.219 1.00 0.00 C ATOM 546 O GLY A 37 15.882 -7.482 -0.623 1.00 0.00 O ATOM 0 H GLY A 37 14.717 -5.518 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.180 -5.144 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.983 -6.671 1.497 1.00 0.00 H new ATOM 550 N TYR A 38 13.961 -6.614 0.165 1.00 0.00 N ATOM 551 CA TYR A 38 13.144 -7.165 -0.911 1.00 0.00 C ATOM 552 C TYR A 38 13.074 -6.198 -2.089 1.00 0.00 C ATOM 553 O TYR A 38 13.398 -5.018 -1.959 1.00 0.00 O ATOM 554 CB TYR A 38 11.734 -7.470 -0.402 1.00 0.00 C ATOM 555 CG TYR A 38 11.069 -6.297 0.280 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.271 -6.048 1.632 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.235 -5.438 -0.426 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.665 -4.977 2.260 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.626 -4.364 0.193 1.00 0.00 C ATOM 560 CZ TYR A 38 9.843 -4.139 1.537 1.00 0.00 C ATOM 561 OH TYR A 38 9.237 -3.071 2.158 1.00 0.00 O ATOM 0 H TYR A 38 13.441 -6.069 0.853 1.00 0.00 H new ATOM 0 HA TYR A 38 13.609 -8.091 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.116 -7.790 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.782 -8.306 0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.913 -6.703 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.060 -5.613 -1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.834 -4.797 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.984 -3.704 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 38 9.416 -3.108 3.121 1.00 0.00 H new ATOM 571 N SER A 39 12.647 -6.708 -3.239 1.00 0.00 N ATOM 572 CA SER A 39 12.536 -5.893 -4.444 1.00 0.00 C ATOM 573 C SER A 39 11.144 -5.277 -4.556 1.00 0.00 C ATOM 574 O SER A 39 10.141 -5.925 -4.258 1.00 0.00 O ATOM 575 CB SER A 39 12.834 -6.736 -5.685 1.00 0.00 C ATOM 576 OG SER A 39 11.837 -7.724 -5.884 1.00 0.00 O ATOM 0 H SER A 39 12.372 -7.682 -3.363 1.00 0.00 H new ATOM 0 HA SER A 39 13.267 -5.087 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.890 -6.091 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.808 -7.214 -5.578 1.00 0.00 H new ATOM 0 HG SER A 39 12.050 -8.248 -6.684 1.00 0.00 H new ATOM 582 N ASP A 40 11.093 -4.022 -4.987 1.00 0.00 N ATOM 583 CA ASP A 40 9.826 -3.316 -5.141 1.00 0.00 C ATOM 584 C ASP A 40 8.744 -4.253 -5.668 1.00 0.00 C ATOM 585 O ASP A 40 7.595 -4.198 -5.231 1.00 0.00 O ATOM 586 CB ASP A 40 9.992 -2.125 -6.084 1.00 0.00 C ATOM 587 CG ASP A 40 10.670 -2.508 -7.386 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.918 -2.508 -7.426 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.953 -2.805 -8.363 1.00 0.00 O ATOM 0 H ASP A 40 11.915 -3.472 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 40 9.520 -2.951 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.013 -1.697 -6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.576 -1.351 -5.587 1.00 0.00 H new ATOM 594 N SER A 41 9.119 -5.110 -6.612 1.00 0.00 N ATOM 595 CA SER A 41 8.179 -6.055 -7.204 1.00 0.00 C ATOM 596 C SER A 41 7.392 -6.788 -6.122 1.00 0.00 C ATOM 597 O SER A 41 6.166 -6.880 -6.184 1.00 0.00 O ATOM 598 CB SER A 41 8.922 -7.065 -8.081 1.00 0.00 C ATOM 599 OG SER A 41 8.522 -6.955 -9.435 1.00 0.00 O ATOM 0 H SER A 41 10.067 -5.170 -6.983 1.00 0.00 H new ATOM 0 HA SER A 41 7.479 -5.493 -7.822 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.996 -6.900 -8.001 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.728 -8.076 -7.722 1.00 0.00 H new ATOM 0 HG SER A 41 9.012 -7.610 -9.975 1.00 0.00 H new ATOM 605 N ALA A 42 8.106 -7.308 -5.128 1.00 0.00 N ATOM 606 CA ALA A 42 7.475 -8.030 -4.030 1.00 0.00 C ATOM 607 C ALA A 42 6.301 -7.243 -3.458 1.00 0.00 C ATOM 608 O ALA A 42 5.332 -7.824 -2.967 1.00 0.00 O ATOM 609 CB ALA A 42 8.494 -8.328 -2.941 1.00 0.00 C ATOM 0 H ALA A 42 9.122 -7.242 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 42 7.090 -8.972 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.010 -8.867 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.298 -8.938 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.906 -7.393 -2.562 1.00 0.00 H new ATOM 615 N VAL A 43 6.393 -5.919 -3.526 1.00 0.00 N ATOM 616 CA VAL A 43 5.337 -5.053 -3.014 1.00 0.00 C ATOM 617 C VAL A 43 4.217 -4.891 -4.035 1.00 0.00 C ATOM 618 O VAL A 43 3.071 -4.612 -3.678 1.00 0.00 O ATOM 619 CB VAL A 43 5.884 -3.662 -2.643 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.746 -2.662 -2.498 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.705 -3.735 -1.365 1.00 0.00 C ATOM 0 H VAL A 43 7.187 -5.423 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 43 4.941 -5.531 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 43 6.536 -3.321 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.152 -1.685 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.204 -2.589 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.066 -2.995 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.083 -2.743 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.078 -4.097 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.543 -4.417 -1.509 1.00 0.00 H new ATOM 631 N LEU A 44 4.554 -5.069 -5.308 1.00 0.00 N ATOM 632 CA LEU A 44 3.575 -4.944 -6.383 1.00 0.00 C ATOM 633 C LEU A 44 2.931 -6.291 -6.693 1.00 0.00 C ATOM 634 O LEU A 44 1.951 -6.368 -7.435 1.00 0.00 O ATOM 635 CB LEU A 44 4.239 -4.380 -7.640 1.00 0.00 C ATOM 636 CG LEU A 44 5.272 -3.275 -7.416 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.064 -3.019 -8.690 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.593 -1.999 -6.942 1.00 0.00 C ATOM 0 H LEU A 44 5.497 -5.300 -5.621 1.00 0.00 H new ATOM 0 HA LEU A 44 2.795 -4.258 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.723 -5.200 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.459 -3.993 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 44 5.965 -3.603 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.794 -2.230 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.581 -3.932 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.385 -2.712 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.343 -1.223 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.877 -1.667 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.071 -2.191 -6.004 1.00 0.00 H new ATOM 650 N LYS A 45 3.489 -7.353 -6.120 1.00 0.00 N ATOM 651 CA LYS A 45 2.968 -8.699 -6.333 1.00 0.00 C ATOM 652 C LYS A 45 1.540 -8.818 -5.809 1.00 0.00 C ATOM 653 O LYS A 45 0.768 -9.661 -6.269 1.00 0.00 O ATOM 654 CB LYS A 45 3.864 -9.728 -5.642 1.00 0.00 C ATOM 655 CG LYS A 45 4.316 -10.853 -6.556 1.00 0.00 C ATOM 656 CD LYS A 45 4.615 -12.122 -5.775 1.00 0.00 C ATOM 657 CE LYS A 45 4.629 -13.344 -6.680 1.00 0.00 C ATOM 658 NZ LYS A 45 5.990 -13.940 -6.788 1.00 0.00 N ATOM 0 H LYS A 45 4.301 -7.308 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 45 2.960 -8.895 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.742 -9.222 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.327 -10.154 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.542 -11.055 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.207 -10.543 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.580 -12.025 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.866 -12.255 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.936 -14.090 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.275 -13.065 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.957 -14.770 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.647 -13.236 -7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.318 -14.230 -5.845 1.00 0.00 H new ATOM 672 N LEU A 46 1.195 -7.970 -4.847 1.00 0.00 N ATOM 673 CA LEU A 46 -0.142 -7.980 -4.262 1.00 0.00 C ATOM 674 C LEU A 46 -1.112 -7.160 -5.107 1.00 0.00 C ATOM 675 O LEU A 46 -2.298 -7.068 -4.793 1.00 0.00 O ATOM 676 CB LEU A 46 -0.100 -7.430 -2.836 1.00 0.00 C ATOM 677 CG LEU A 46 1.102 -6.550 -2.491 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.808 -5.703 -1.262 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.342 -7.404 -2.268 1.00 0.00 C ATOM 0 H LEU A 46 1.822 -7.267 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.493 -9.012 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.009 -6.853 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.120 -8.271 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 46 1.292 -5.882 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.675 -5.083 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.053 -5.064 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.592 -6.354 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.187 -6.761 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.163 -8.097 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.564 -7.967 -3.175 1.00 0.00 H new ATOM 691 N ALA A 47 -0.600 -6.570 -6.182 1.00 0.00 N ATOM 692 CA ALA A 47 -1.421 -5.762 -7.074 1.00 0.00 C ATOM 693 C ALA A 47 -1.288 -6.231 -8.519 1.00 0.00 C ATOM 694 O ALA A 47 -2.047 -5.810 -9.390 1.00 0.00 O ATOM 695 CB ALA A 47 -1.040 -4.294 -6.957 1.00 0.00 C ATOM 0 H ALA A 47 0.380 -6.637 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.463 -5.881 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.661 -3.702 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.194 -3.959 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.008 -4.168 -7.227 1.00 0.00 H new ATOM 701 N GLU A 48 -0.317 -7.106 -8.764 1.00 0.00 N ATOM 702 CA GLU A 48 -0.084 -7.631 -10.105 1.00 0.00 C ATOM 703 C GLU A 48 -1.343 -8.292 -10.657 1.00 0.00 C ATOM 704 O GLU A 48 -1.897 -7.878 -11.676 1.00 0.00 O ATOM 705 CB GLU A 48 1.069 -8.637 -10.090 1.00 0.00 C ATOM 706 CG GLU A 48 2.393 -8.052 -10.553 1.00 0.00 C ATOM 707 CD GLU A 48 3.130 -8.966 -11.513 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.497 -9.456 -12.471 1.00 0.00 O ATOM 709 OE2 GLU A 48 4.341 -9.191 -11.305 1.00 0.00 O ATOM 0 H GLU A 48 0.320 -7.466 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 48 0.181 -6.796 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.187 -9.026 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.811 -9.482 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.213 -7.092 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.024 -7.858 -9.685 1.00 0.00 H new ATOM 716 N PRO A 49 -1.807 -9.346 -9.969 1.00 0.00 N ATOM 717 CA PRO A 49 -3.006 -10.088 -10.371 1.00 0.00 C ATOM 718 C PRO A 49 -4.282 -9.276 -10.178 1.00 0.00 C ATOM 719 O PRO A 49 -5.381 -9.753 -10.462 1.00 0.00 O ATOM 720 CB PRO A 49 -2.999 -11.304 -9.440 1.00 0.00 C ATOM 721 CG PRO A 49 -2.235 -10.858 -8.241 1.00 0.00 C ATOM 722 CD PRO A 49 -1.197 -9.894 -8.746 1.00 0.00 C ATOM 0 HA PRO A 49 -2.991 -10.345 -11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.012 -11.605 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.525 -12.163 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.892 -10.379 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.769 -11.705 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.986 -9.112 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.252 -10.395 -8.958 1.00 0.00 H new ATOM 730 N TYR A 50 -4.129 -8.049 -9.694 1.00 0.00 N ATOM 731 CA TYR A 50 -5.271 -7.171 -9.461 1.00 0.00 C ATOM 732 C TYR A 50 -5.461 -6.205 -10.626 1.00 0.00 C ATOM 733 O TYR A 50 -6.587 -5.886 -11.006 1.00 0.00 O ATOM 734 CB TYR A 50 -5.081 -6.388 -8.161 1.00 0.00 C ATOM 735 CG TYR A 50 -5.190 -7.244 -6.919 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.092 -7.944 -6.434 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.392 -7.352 -6.228 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.187 -8.727 -5.300 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.496 -8.131 -5.092 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.391 -8.817 -4.632 1.00 0.00 C ATOM 741 OH TYR A 50 -5.489 -9.594 -3.502 1.00 0.00 O ATOM 0 H TYR A 50 -3.226 -7.639 -9.455 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.163 -7.791 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.103 -5.906 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.826 -5.594 -8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.147 -7.875 -6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.259 -6.817 -6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.324 -9.266 -4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.437 -8.203 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.403 -9.548 -3.152 1.00 0.00 H new ATOM 751 N GLY A 51 -4.349 -5.741 -11.190 1.00 0.00 N ATOM 752 CA GLY A 51 -4.414 -4.816 -12.307 1.00 0.00 C ATOM 753 C GLY A 51 -3.041 -4.410 -12.804 1.00 0.00 C ATOM 754 O GLY A 51 -2.031 -4.688 -12.157 1.00 0.00 O ATOM 0 H GLY A 51 -3.405 -5.989 -10.893 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.971 -5.276 -13.123 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.966 -3.926 -12.006 1.00 0.00 H new ATOM 758 N LYS A 52 -3.001 -3.754 -13.958 1.00 0.00 N ATOM 759 CA LYS A 52 -1.742 -3.309 -14.543 1.00 0.00 C ATOM 760 C LYS A 52 -1.127 -2.181 -13.721 1.00 0.00 C ATOM 761 O LYS A 52 -1.725 -1.116 -13.567 1.00 0.00 O ATOM 762 CB LYS A 52 -1.963 -2.842 -15.985 1.00 0.00 C ATOM 763 CG LYS A 52 -1.376 -3.780 -17.025 1.00 0.00 C ATOM 764 CD LYS A 52 -0.585 -3.021 -18.076 1.00 0.00 C ATOM 765 CE LYS A 52 -0.594 -3.748 -19.413 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.942 -2.836 -20.538 1.00 0.00 N ATOM 0 H LYS A 52 -3.827 -3.518 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.052 -4.153 -14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.033 -2.738 -16.164 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.522 -1.853 -16.109 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.728 -4.508 -16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.178 -4.340 -17.506 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.006 -2.023 -18.200 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.443 -2.893 -17.737 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.386 -4.189 -19.593 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.311 -4.568 -19.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.937 -3.369 -21.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.888 -2.434 -20.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.244 -2.067 -20.590 1.00 0.00 H new ATOM 780 N ILE A 53 0.069 -2.423 -13.196 1.00 0.00 N ATOM 781 CA ILE A 53 0.765 -1.426 -12.391 1.00 0.00 C ATOM 782 C ILE A 53 1.273 -0.279 -13.257 1.00 0.00 C ATOM 783 O ILE A 53 2.362 -0.350 -13.828 1.00 0.00 O ATOM 784 CB ILE A 53 1.952 -2.046 -11.631 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.461 -3.131 -10.670 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.717 -0.969 -10.876 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.353 -4.351 -10.630 1.00 0.00 C ATOM 0 H ILE A 53 0.576 -3.300 -13.313 1.00 0.00 H new ATOM 0 HA ILE A 53 0.044 -1.042 -11.670 1.00 0.00 H new ATOM 0 HB ILE A 53 2.627 -2.506 -12.353 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.389 -2.711 -9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.456 -3.435 -10.961 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.553 -1.422 -10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.094 -0.229 -11.581 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.052 -0.484 -10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.944 -5.078 -9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.406 -4.796 -11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.353 -4.060 -10.309 1.00 0.00 H new ATOM 799 N LYS A 54 0.478 0.783 -13.350 1.00 0.00 N ATOM 800 CA LYS A 54 0.848 1.949 -14.142 1.00 0.00 C ATOM 801 C LYS A 54 1.961 2.740 -13.461 1.00 0.00 C ATOM 802 O LYS A 54 2.712 3.463 -14.116 1.00 0.00 O ATOM 803 CB LYS A 54 -0.370 2.849 -14.362 1.00 0.00 C ATOM 804 CG LYS A 54 -0.817 2.925 -15.811 1.00 0.00 C ATOM 805 CD LYS A 54 -1.676 1.731 -16.193 1.00 0.00 C ATOM 806 CE LYS A 54 -1.203 1.097 -17.492 1.00 0.00 C ATOM 807 NZ LYS A 54 0.051 0.316 -17.304 1.00 0.00 N ATOM 0 H LYS A 54 -0.427 0.859 -12.886 1.00 0.00 H new ATOM 0 HA LYS A 54 1.214 1.599 -15.107 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.197 2.482 -13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.137 3.854 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.379 3.845 -15.972 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.057 2.968 -16.461 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.647 0.990 -15.394 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.714 2.047 -16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.983 0.443 -17.882 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.038 1.875 -18.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.240 -0.249 -18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.844 0.968 -17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.054 -0.317 -16.486 1.00 0.00 H new ATOM 821 N ASN A 55 2.062 2.596 -12.144 1.00 0.00 N ATOM 822 CA ASN A 55 3.084 3.296 -11.375 1.00 0.00 C ATOM 823 C ASN A 55 3.103 2.814 -9.928 1.00 0.00 C ATOM 824 O ASN A 55 2.089 2.352 -9.404 1.00 0.00 O ATOM 825 CB ASN A 55 2.839 4.806 -11.418 1.00 0.00 C ATOM 826 CG ASN A 55 4.060 5.576 -11.883 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.247 5.802 -13.079 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.898 5.984 -10.937 1.00 0.00 N ATOM 0 H ASN A 55 1.449 2.001 -11.587 1.00 0.00 H new ATOM 0 HA ASN A 55 4.053 3.078 -11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.004 5.017 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.550 5.153 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.736 6.507 -11.189 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.703 5.774 -9.958 1.00 0.00 H new ATOM 835 N TYR A 56 4.261 2.924 -9.288 1.00 0.00 N ATOM 836 CA TYR A 56 4.413 2.496 -7.902 1.00 0.00 C ATOM 837 C TYR A 56 5.442 3.358 -7.176 1.00 0.00 C ATOM 838 O TYR A 56 6.275 4.011 -7.804 1.00 0.00 O ATOM 839 CB TYR A 56 4.829 1.026 -7.842 1.00 0.00 C ATOM 840 CG TYR A 56 6.312 0.808 -8.040 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.854 0.697 -9.314 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.171 0.714 -6.952 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.208 0.497 -9.500 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.527 0.515 -7.128 1.00 0.00 C ATOM 845 CZ TYR A 56 9.041 0.407 -8.404 1.00 0.00 C ATOM 846 OH TYR A 56 10.391 0.210 -8.585 1.00 0.00 O ATOM 0 H TYR A 56 5.109 3.306 -9.707 1.00 0.00 H new ATOM 0 HA TYR A 56 3.450 2.614 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.535 0.613 -6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.284 0.471 -8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.205 0.768 -10.174 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.772 0.798 -5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.612 0.412 -10.498 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.181 0.444 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 56 10.836 0.170 -7.713 1.00 0.00 H new ATOM 856 N ILE A 57 5.376 3.354 -5.849 1.00 0.00 N ATOM 857 CA ILE A 57 6.301 4.133 -5.037 1.00 0.00 C ATOM 858 C ILE A 57 6.734 3.356 -3.798 1.00 0.00 C ATOM 859 O ILE A 57 5.900 2.903 -3.013 1.00 0.00 O ATOM 860 CB ILE A 57 5.677 5.470 -4.597 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.649 6.455 -5.768 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.450 6.056 -3.424 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.982 7.116 -6.033 1.00 0.00 C ATOM 0 H ILE A 57 4.691 2.820 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 57 7.172 4.336 -5.660 1.00 0.00 H new ATOM 0 HB ILE A 57 4.652 5.286 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.328 5.929 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.904 7.225 -5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.996 7.001 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.423 5.359 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.485 6.228 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.887 7.801 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.295 7.671 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.726 6.354 -6.266 1.00 0.00 H new ATOM 875 N LEU A 58 8.043 3.205 -3.627 1.00 0.00 N ATOM 876 CA LEU A 58 8.588 2.484 -2.483 1.00 0.00 C ATOM 877 C LEU A 58 9.370 3.423 -1.570 1.00 0.00 C ATOM 878 O LEU A 58 10.532 3.733 -1.830 1.00 0.00 O ATOM 879 CB LEU A 58 9.492 1.345 -2.956 1.00 0.00 C ATOM 880 CG LEU A 58 8.997 -0.072 -2.663 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.979 -0.331 -1.164 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.614 -0.288 -3.260 1.00 0.00 C ATOM 0 H LEU A 58 8.747 3.573 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 58 7.755 2.067 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.633 1.443 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.471 1.469 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 58 9.685 -0.780 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.624 -1.344 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.986 -0.218 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.314 0.383 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.278 -1.302 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.915 0.427 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.657 -0.145 -4.340 1.00 0.00 H new ATOM 894 N MET A 59 8.724 3.870 -0.498 1.00 0.00 N ATOM 895 CA MET A 59 9.361 4.771 0.457 1.00 0.00 C ATOM 896 C MET A 59 9.914 3.998 1.649 1.00 0.00 C ATOM 897 O MET A 59 9.192 3.239 2.297 1.00 0.00 O ATOM 898 CB MET A 59 8.363 5.827 0.937 1.00 0.00 C ATOM 899 CG MET A 59 7.950 6.810 -0.146 1.00 0.00 C ATOM 900 SD MET A 59 6.862 8.109 0.473 1.00 0.00 S ATOM 901 CE MET A 59 5.907 8.478 -0.997 1.00 0.00 C ATOM 0 H MET A 59 7.761 3.624 -0.269 1.00 0.00 H new ATOM 0 HA MET A 59 10.190 5.267 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.474 5.327 1.320 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.802 6.378 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.842 7.264 -0.579 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.446 6.271 -0.948 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.118 9.188 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.559 8.911 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.462 7.560 -1.382 1.00 0.00 H new ATOM 911 N ARG A 60 11.197 4.195 1.933 1.00 0.00 N ATOM 912 CA ARG A 60 11.846 3.514 3.047 1.00 0.00 C ATOM 913 C ARG A 60 11.705 4.321 4.334 1.00 0.00 C ATOM 914 O ARG A 60 11.908 3.800 5.430 1.00 0.00 O ATOM 915 CB ARG A 60 13.327 3.283 2.738 1.00 0.00 C ATOM 916 CG ARG A 60 14.133 4.567 2.625 1.00 0.00 C ATOM 917 CD ARG A 60 15.398 4.361 1.806 1.00 0.00 C ATOM 918 NE ARG A 60 16.214 5.570 1.746 1.00 0.00 N ATOM 919 CZ ARG A 60 17.459 5.593 1.282 1.00 0.00 C ATOM 920 NH1 ARG A 60 18.027 4.480 0.841 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.138 6.734 1.260 1.00 0.00 N ATOM 0 H ARG A 60 11.808 4.820 1.407 1.00 0.00 H new ATOM 0 HA ARG A 60 11.356 2.551 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.760 2.660 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.412 2.727 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.522 5.342 2.163 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.397 4.921 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.983 3.550 2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.129 4.054 0.795 1.00 0.00 H new ATOM 0 HE ARG A 60 15.807 6.444 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.508 3.602 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.983 4.501 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.704 7.592 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.094 6.752 0.904 1.00 0.00 H new ATOM 935 N MET A 61 11.356 5.595 4.192 1.00 0.00 N ATOM 936 CA MET A 61 11.186 6.474 5.344 1.00 0.00 C ATOM 937 C MET A 61 10.326 5.808 6.413 1.00 0.00 C ATOM 938 O MET A 61 10.838 5.317 7.420 1.00 0.00 O ATOM 939 CB MET A 61 10.551 7.798 4.914 1.00 0.00 C ATOM 940 CG MET A 61 11.559 8.916 4.707 1.00 0.00 C ATOM 941 SD MET A 61 10.795 10.549 4.711 1.00 0.00 S ATOM 942 CE MET A 61 10.366 10.717 6.442 1.00 0.00 C ATOM 0 H MET A 61 11.185 6.042 3.291 1.00 0.00 H new ATOM 0 HA MET A 61 12.171 6.673 5.766 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.998 7.642 3.988 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.828 8.107 5.669 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.313 8.870 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.076 8.763 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.255 11.773 6.688 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.427 10.198 6.636 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.155 10.282 7.056 1.00 0.00 H new ATOM 952 N LYS A 62 9.016 5.793 6.190 1.00 0.00 N ATOM 953 CA LYS A 62 8.084 5.187 7.133 1.00 0.00 C ATOM 954 C LYS A 62 7.551 3.863 6.595 1.00 0.00 C ATOM 955 O LYS A 62 6.358 3.575 6.699 1.00 0.00 O ATOM 956 CB LYS A 62 6.921 6.140 7.417 1.00 0.00 C ATOM 957 CG LYS A 62 7.158 7.048 8.611 1.00 0.00 C ATOM 958 CD LYS A 62 6.293 8.296 8.542 1.00 0.00 C ATOM 959 CE LYS A 62 6.692 9.310 9.604 1.00 0.00 C ATOM 960 NZ LYS A 62 5.589 10.266 9.899 1.00 0.00 N ATOM 0 H LYS A 62 8.575 6.195 5.362 1.00 0.00 H new ATOM 0 HA LYS A 62 8.620 4.992 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.741 6.754 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.017 5.556 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.942 6.505 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.209 7.334 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.382 8.748 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.246 8.022 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.974 8.787 10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.570 9.861 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.900 10.941 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.337 10.783 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.759 9.743 10.244 1.00 0.00 H new ATOM 974 N SER A 63 8.442 3.059 6.023 1.00 0.00 N ATOM 975 CA SER A 63 8.060 1.767 5.467 1.00 0.00 C ATOM 976 C SER A 63 6.685 1.843 4.811 1.00 0.00 C ATOM 977 O SER A 63 5.778 1.087 5.157 1.00 0.00 O ATOM 978 CB SER A 63 8.057 0.699 6.562 1.00 0.00 C ATOM 979 OG SER A 63 9.374 0.396 6.984 1.00 0.00 O ATOM 0 H SER A 63 9.434 3.280 5.933 1.00 0.00 H new ATOM 0 HA SER A 63 8.791 1.495 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.471 1.048 7.412 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.574 -0.205 6.191 1.00 0.00 H new ATOM 0 HG SER A 63 9.344 -0.288 7.685 1.00 0.00 H new ATOM 985 N GLN A 64 6.540 2.761 3.860 1.00 0.00 N ATOM 986 CA GLN A 64 5.275 2.937 3.155 1.00 0.00 C ATOM 987 C GLN A 64 5.479 2.862 1.645 1.00 0.00 C ATOM 988 O GLN A 64 6.587 3.063 1.148 1.00 0.00 O ATOM 989 CB GLN A 64 4.640 4.277 3.530 1.00 0.00 C ATOM 990 CG GLN A 64 4.240 4.372 4.993 1.00 0.00 C ATOM 991 CD GLN A 64 2.927 5.103 5.193 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.548 5.953 4.386 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.225 4.776 6.272 1.00 0.00 N ATOM 0 H GLN A 64 7.282 3.394 3.560 1.00 0.00 H new ATOM 0 HA GLN A 64 4.606 2.130 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.342 5.079 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.758 4.438 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.160 3.368 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.025 4.885 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.577 4.066 6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.333 5.235 6.459 1.00 0.00 H new ATOM 1002 N ALA A 65 4.403 2.571 0.922 1.00 0.00 N ATOM 1003 CA ALA A 65 4.464 2.471 -0.531 1.00 0.00 C ATOM 1004 C ALA A 65 3.108 2.775 -1.160 1.00 0.00 C ATOM 1005 O ALA A 65 2.065 2.574 -0.537 1.00 0.00 O ATOM 1006 CB ALA A 65 4.941 1.087 -0.945 1.00 0.00 C ATOM 0 H ALA A 65 3.479 2.400 1.318 1.00 0.00 H new ATOM 0 HA ALA A 65 5.177 3.212 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.982 1.026 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.934 0.906 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.249 0.335 -0.565 1.00 0.00 H new ATOM 1012 N PHE A 66 3.130 3.263 -2.395 1.00 0.00 N ATOM 1013 CA PHE A 66 1.901 3.597 -3.107 1.00 0.00 C ATOM 1014 C PHE A 66 1.878 2.944 -4.487 1.00 0.00 C ATOM 1015 O PHE A 66 2.732 3.218 -5.329 1.00 0.00 O ATOM 1016 CB PHE A 66 1.765 5.115 -3.247 1.00 0.00 C ATOM 1017 CG PHE A 66 1.796 5.842 -1.933 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.999 6.254 -1.383 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.622 6.117 -1.250 1.00 0.00 C ATOM 1020 CE1 PHE A 66 3.031 6.923 -0.174 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.648 6.785 -0.041 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.853 7.190 0.498 1.00 0.00 C ATOM 0 H PHE A 66 3.985 3.436 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 66 1.060 3.215 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.571 5.488 -3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.829 5.343 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.922 6.050 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.324 5.806 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.976 7.237 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.274 6.990 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.875 7.714 1.442 1.00 0.00 H new ATOM 1032 N ILE A 67 0.893 2.079 -4.708 1.00 0.00 N ATOM 1033 CA ILE A 67 0.757 1.388 -5.984 1.00 0.00 C ATOM 1034 C ILE A 67 -0.484 1.860 -6.735 1.00 0.00 C ATOM 1035 O ILE A 67 -1.610 1.590 -6.321 1.00 0.00 O ATOM 1036 CB ILE A 67 0.678 -0.138 -5.791 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.921 -0.646 -5.056 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.531 -0.834 -7.136 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.841 -2.107 -4.673 1.00 0.00 C ATOM 0 H ILE A 67 0.178 1.841 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 67 1.645 1.627 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.199 -0.368 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.795 -0.492 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.070 -0.050 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.476 -1.912 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.380 -0.490 -7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.391 -0.599 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.755 -2.398 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.986 -2.264 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.724 -2.713 -5.572 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.267 2.563 -7.842 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.369 3.071 -8.651 1.00 0.00 C ATOM 1053 C GLU A 68 -1.802 2.038 -9.687 1.00 0.00 C ATOM 1054 O GLU A 68 -1.133 1.841 -10.701 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.962 4.370 -9.349 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.979 4.861 -10.364 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.493 6.068 -11.142 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.325 6.059 -11.582 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.283 7.021 -11.311 1.00 0.00 O ATOM 0 H GLU A 68 0.660 2.794 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.211 3.272 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.809 5.144 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.006 4.219 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.210 4.054 -11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.906 5.114 -9.850 1.00 0.00 H new ATOM 1066 N MET A 69 -2.928 1.382 -9.424 1.00 0.00 N ATOM 1067 CA MET A 69 -3.452 0.370 -10.334 1.00 0.00 C ATOM 1068 C MET A 69 -3.865 0.995 -11.663 1.00 0.00 C ATOM 1069 O MET A 69 -3.953 2.216 -11.783 1.00 0.00 O ATOM 1070 CB MET A 69 -4.647 -0.346 -9.702 1.00 0.00 C ATOM 1071 CG MET A 69 -4.360 -0.898 -8.315 1.00 0.00 C ATOM 1072 SD MET A 69 -2.783 -1.769 -8.227 1.00 0.00 S ATOM 1073 CE MET A 69 -3.080 -3.123 -9.361 1.00 0.00 C ATOM 0 H MET A 69 -3.494 1.533 -8.589 1.00 0.00 H new ATOM 0 HA MET A 69 -2.661 -0.356 -10.524 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.486 0.348 -9.642 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.956 -1.164 -10.353 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.359 -0.079 -7.595 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.162 -1.577 -8.025 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.127 -3.514 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.627 -3.914 -8.848 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.666 -2.766 -10.208 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.116 0.149 -12.658 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.518 0.621 -13.978 1.00 0.00 C ATOM 1085 C GLU A 70 -5.945 1.162 -13.951 1.00 0.00 C ATOM 1086 O GLU A 70 -6.267 2.130 -14.640 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.409 -0.509 -15.002 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.703 -0.070 -16.427 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.259 -1.194 -17.281 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.185 -1.890 -16.814 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.767 -1.376 -18.414 1.00 0.00 O ATOM 0 H GLU A 70 -4.048 -0.865 -12.575 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.847 1.430 -14.267 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.404 -0.930 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.100 -1.306 -14.726 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.416 0.755 -16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.788 0.309 -16.883 1.00 0.00 H new ATOM 1098 N THR A 71 -6.797 0.529 -13.151 1.00 0.00 N ATOM 1099 CA THR A 71 -8.189 0.944 -13.034 1.00 0.00 C ATOM 1100 C THR A 71 -8.655 0.904 -11.584 1.00 0.00 C ATOM 1101 O THR A 71 -7.968 0.367 -10.715 1.00 0.00 O ATOM 1102 CB THR A 71 -9.113 0.051 -13.884 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.423 -1.151 -13.171 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.460 -0.295 -15.212 1.00 0.00 C ATOM 0 H THR A 71 -6.547 -0.274 -12.574 1.00 0.00 H new ATOM 0 HA THR A 71 -8.246 1.968 -13.402 1.00 0.00 H new ATOM 0 HB THR A 71 -10.032 0.602 -14.083 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.708 -1.807 -13.309 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.132 -0.926 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.252 0.621 -15.765 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.527 -0.829 -15.031 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.827 1.476 -11.327 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.385 1.506 -9.981 1.00 0.00 C ATOM 1114 C ARG A 72 -10.842 0.115 -9.550 1.00 0.00 C ATOM 1115 O ARG A 72 -10.714 -0.256 -8.384 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.561 2.483 -9.915 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.618 3.279 -8.621 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.917 4.747 -8.883 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.346 5.039 -8.800 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.041 4.989 -7.669 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -13.443 4.662 -6.533 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.339 5.268 -7.675 1.00 0.00 N ATOM 0 H ARG A 72 -10.409 1.925 -12.034 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.604 1.841 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.496 3.175 -10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.491 1.927 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.385 2.861 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.668 3.188 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.379 5.361 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.548 5.021 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.837 5.295 -9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.446 4.448 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.980 4.625 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.802 5.521 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.873 5.230 -6.807 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.372 -0.649 -10.500 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.848 -1.998 -10.218 1.00 0.00 C ATOM 1138 C GLU A 73 -10.738 -2.850 -9.609 1.00 0.00 C ATOM 1139 O GLU A 73 -10.995 -3.736 -8.794 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.368 -2.658 -11.495 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.845 -3.012 -11.439 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.178 -4.254 -12.243 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.418 -4.128 -13.461 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.198 -5.355 -11.651 1.00 0.00 O ATOM 0 H GLU A 73 -11.482 -0.357 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.663 -1.924 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.195 -1.987 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.793 -3.564 -11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.139 -3.166 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.430 -2.173 -11.815 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.502 -2.576 -10.012 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.351 -3.316 -9.507 1.00 0.00 C ATOM 1153 C ASP A 74 -7.982 -2.855 -8.100 1.00 0.00 C ATOM 1154 O ASP A 74 -8.066 -3.623 -7.142 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.155 -3.142 -10.444 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.519 -3.369 -11.898 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.150 -4.405 -12.195 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -7.174 -2.512 -12.737 1.00 0.00 O ATOM 0 H ASP A 74 -9.271 -1.847 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.619 -4.372 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.749 -2.137 -10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.368 -3.839 -10.157 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.574 -1.595 -7.983 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.194 -1.032 -6.694 1.00 0.00 C ATOM 1165 C ALA A 75 -8.272 -1.285 -5.646 1.00 0.00 C ATOM 1166 O ALA A 75 -7.969 -1.559 -4.485 1.00 0.00 O ATOM 1167 CB ALA A 75 -6.927 0.460 -6.829 1.00 0.00 C ATOM 0 H ALA A 75 -7.498 -0.945 -8.766 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.280 -1.526 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.644 0.868 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.118 0.622 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.828 0.960 -7.184 1.00 0.00 H new ATOM 1173 N MET A 76 -9.530 -1.192 -6.062 1.00 0.00 N ATOM 1174 CA MET A 76 -10.652 -1.412 -5.157 1.00 0.00 C ATOM 1175 C MET A 76 -10.703 -2.865 -4.698 1.00 0.00 C ATOM 1176 O MET A 76 -10.970 -3.149 -3.530 1.00 0.00 O ATOM 1177 CB MET A 76 -11.968 -1.034 -5.841 1.00 0.00 C ATOM 1178 CG MET A 76 -12.070 0.442 -6.188 1.00 0.00 C ATOM 1179 SD MET A 76 -13.038 1.374 -4.985 1.00 0.00 S ATOM 1180 CE MET A 76 -11.907 2.708 -4.603 1.00 0.00 C ATOM 0 H MET A 76 -9.798 -0.966 -7.020 1.00 0.00 H new ATOM 0 HA MET A 76 -10.511 -0.778 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.076 -1.622 -6.753 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.798 -1.304 -5.188 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.068 0.867 -6.250 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.523 0.549 -7.174 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.458 3.647 -4.547 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.424 2.513 -3.646 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.150 2.778 -5.384 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.447 -3.784 -5.624 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.462 -5.208 -5.313 1.00 0.00 C ATOM 1192 C ALA A 77 -9.325 -5.574 -4.366 1.00 0.00 C ATOM 1193 O ALA A 77 -9.428 -6.533 -3.600 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.372 -6.028 -6.592 1.00 0.00 C ATOM 0 H ALA A 77 -10.227 -3.567 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.404 -5.437 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.384 -7.090 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.221 -5.795 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.446 -5.787 -7.114 1.00 0.00 H new ATOM 1200 N MET A 78 -8.242 -4.807 -4.423 1.00 0.00 N ATOM 1201 CA MET A 78 -7.086 -5.052 -3.569 1.00 0.00 C ATOM 1202 C MET A 78 -7.377 -4.641 -2.129 1.00 0.00 C ATOM 1203 O MET A 78 -7.222 -5.437 -1.203 1.00 0.00 O ATOM 1204 CB MET A 78 -5.866 -4.290 -4.093 1.00 0.00 C ATOM 1205 CG MET A 78 -4.542 -4.853 -3.604 1.00 0.00 C ATOM 1206 SD MET A 78 -3.125 -3.909 -4.198 1.00 0.00 S ATOM 1207 CE MET A 78 -1.861 -4.433 -3.042 1.00 0.00 C ATOM 0 H MET A 78 -8.141 -4.010 -5.052 1.00 0.00 H new ATOM 0 HA MET A 78 -6.873 -6.121 -3.587 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.878 -4.307 -5.183 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.942 -3.246 -3.789 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.536 -4.863 -2.514 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.448 -5.888 -3.933 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.532 -3.579 -2.451 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.268 -5.198 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.013 -4.842 -3.591 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.798 -3.394 -1.948 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.112 -2.878 -0.621 1.00 0.00 C ATOM 1219 C VAL A 79 -9.218 -3.693 0.039 1.00 0.00 C ATOM 1220 O VAL A 79 -9.234 -3.866 1.257 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.543 -1.400 -0.680 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.497 -0.566 -1.404 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.900 -1.270 -1.355 1.00 0.00 C ATOM 0 H VAL A 79 -7.930 -2.722 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.202 -2.959 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.630 -1.024 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.819 0.475 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.546 -0.636 -0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.375 -0.939 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.190 -0.220 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.841 -1.663 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.643 -1.834 -0.790 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.143 -4.193 -0.774 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.253 -4.991 -0.271 1.00 0.00 C ATOM 1235 C ASP A 80 -10.769 -6.359 0.201 1.00 0.00 C ATOM 1236 O ASP A 80 -11.079 -6.790 1.312 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.320 -5.159 -1.354 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.682 -4.665 -0.905 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.124 -5.059 0.194 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.305 -3.885 -1.655 1.00 0.00 O ATOM 0 H ASP A 80 -10.145 -4.059 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.689 -4.467 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.016 -4.615 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.391 -6.211 -1.630 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.008 -7.038 -0.653 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.481 -8.358 -0.324 1.00 0.00 C ATOM 1247 C HIS A 81 -8.718 -8.324 0.997 1.00 0.00 C ATOM 1248 O HIS A 81 -8.456 -9.365 1.600 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.566 -8.859 -1.441 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.907 -10.235 -1.924 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -9.444 -10.485 -3.168 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.783 -11.440 -1.319 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -9.637 -11.784 -3.309 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.243 -12.387 -2.202 1.00 0.00 N ATOM 0 H HIS A 81 -9.743 -6.696 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.323 -9.042 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.618 -8.165 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.536 -8.853 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.395 -11.623 -0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.047 -12.271 -4.182 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.275 -13.392 -2.030 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.365 -7.123 1.440 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.630 -6.954 2.689 1.00 0.00 C ATOM 1264 C CYS A 82 -8.587 -6.771 3.863 1.00 0.00 C ATOM 1265 O CYS A 82 -8.238 -7.045 5.011 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.687 -5.754 2.592 1.00 0.00 C ATOM 1267 SG CYS A 82 -5.708 -5.462 4.084 1.00 0.00 S ATOM 0 H CYS A 82 -8.576 -6.252 0.953 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.042 -7.856 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.011 -5.904 1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.273 -4.861 2.375 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.316 -5.979 5.110 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.795 -6.304 3.566 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.804 -6.082 4.596 1.00 0.00 C ATOM 1275 C LEU A 83 -11.370 -7.406 5.099 1.00 0.00 C ATOM 1276 O LEU A 83 -11.347 -7.689 6.297 1.00 0.00 O ATOM 1277 CB LEU A 83 -11.933 -5.205 4.053 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.552 -3.769 3.689 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.479 -3.228 2.612 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.586 -2.880 4.923 1.00 0.00 C ATOM 0 H LEU A 83 -10.099 -6.072 2.621 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.326 -5.571 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.345 -5.686 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.729 -5.171 4.797 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.535 -3.771 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.193 -2.205 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.403 -3.851 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.506 -3.240 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.312 -1.862 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.590 -2.883 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.880 -3.257 5.663 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.877 -8.215 4.175 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.446 -9.512 4.522 1.00 0.00 C ATOM 1294 C LYS A 84 -11.355 -10.489 4.947 1.00 0.00 C ATOM 1295 O LYS A 84 -11.529 -11.258 5.893 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.223 -10.085 3.335 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.478 -9.299 2.993 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.307 -8.509 1.705 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.421 -9.405 0.483 1.00 0.00 C ATOM 1300 NZ LYS A 84 -14.639 -8.618 -0.763 1.00 0.00 N ATOM 0 H LYS A 84 -11.905 -7.995 3.179 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.128 -9.369 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.571 -10.110 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.499 -11.116 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.321 -9.983 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.716 -8.618 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.063 -7.725 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.335 -8.015 1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.513 -10.000 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.246 -10.104 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.712 -9.265 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.519 -8.070 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.839 -7.969 -0.908 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.229 -10.454 4.244 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.107 -11.334 4.550 1.00 0.00 C ATOM 1316 C LYS A 85 -7.848 -10.526 4.852 1.00 0.00 C ATOM 1317 O LYS A 85 -7.619 -9.473 4.259 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.846 -12.286 3.381 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.771 -13.320 3.667 1.00 0.00 C ATOM 1320 CD LYS A 85 -8.349 -14.560 4.329 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.255 -15.450 4.899 1.00 0.00 C ATOM 1322 NZ LYS A 85 -7.529 -16.892 4.651 1.00 0.00 N ATOM 0 H LYS A 85 -10.068 -9.825 3.457 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.365 -11.916 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.774 -12.799 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.555 -11.703 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.278 -13.600 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.009 -12.884 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.030 -14.264 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.935 -15.122 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.298 -15.180 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.167 -15.276 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.761 -17.466 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.430 -17.156 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.588 -17.063 3.627 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.037 -11.029 5.776 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.800 -10.356 6.155 1.00 0.00 C ATOM 1338 C ALA A 86 -4.724 -10.546 5.090 1.00 0.00 C ATOM 1339 O ALA A 86 -4.196 -11.644 4.915 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.309 -10.869 7.500 1.00 0.00 C ATOM 0 H ALA A 86 -7.214 -11.900 6.276 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.008 -9.289 6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.385 -10.357 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.065 -10.677 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.124 -11.941 7.435 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.405 -9.469 4.380 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.392 -9.518 3.331 1.00 0.00 C ATOM 1348 C LEU A 87 -1.994 -9.621 3.930 1.00 0.00 C ATOM 1349 O LEU A 87 -1.469 -8.652 4.477 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.489 -8.274 2.444 1.00 0.00 C ATOM 1351 CG LEU A 87 -3.016 -8.443 1.000 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.920 -7.673 0.049 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.573 -7.983 0.855 1.00 0.00 C ATOM 0 H LEU A 87 -4.833 -8.552 4.511 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.574 -10.405 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.527 -7.943 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.907 -7.477 2.905 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.068 -9.501 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.568 -7.805 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.940 -8.048 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.900 -6.614 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.253 -8.110 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.497 -6.931 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.934 -8.577 1.508 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.396 -10.802 3.819 1.00 0.00 N ATOM 1366 CA TRP A 88 -0.055 -11.031 4.347 1.00 0.00 C ATOM 1367 C TRP A 88 0.987 -10.960 3.237 1.00 0.00 C ATOM 1368 O TRP A 88 0.863 -11.630 2.212 1.00 0.00 O ATOM 1369 CB TRP A 88 0.015 -12.392 5.042 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.583 -12.388 6.418 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.822 -12.839 6.774 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.033 -11.909 7.618 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.013 -12.669 8.124 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.890 -12.101 8.665 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.275 -11.339 7.910 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.609 -11.740 9.979 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.552 -10.981 9.216 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.615 -11.184 10.238 1.00 0.00 C ATOM 0 H TRP A 88 -1.817 -11.615 3.369 1.00 0.00 H new ATOM 0 HA TRP A 88 0.161 -10.247 5.073 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.503 -13.131 4.431 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.057 -12.706 5.107 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.545 -13.266 6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.855 -12.924 8.640 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.005 -11.181 7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.331 -11.893 10.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.508 -10.537 9.453 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.863 -10.896 11.249 1.00 0.00 H new ATOM 1433 N ARG A 92 4.066 -10.541 6.478 1.00 0.00 N ATOM 1434 CA ARG A 92 3.820 -9.282 7.171 1.00 0.00 C ATOM 1435 C ARG A 92 2.367 -8.847 7.008 1.00 0.00 C ATOM 1436 O ARG A 92 1.814 -8.893 5.908 1.00 0.00 O ATOM 1437 CB ARG A 92 4.753 -8.191 6.640 1.00 0.00 C ATOM 1438 CG ARG A 92 6.212 -8.611 6.587 1.00 0.00 C ATOM 1439 CD ARG A 92 7.042 -7.873 7.625 1.00 0.00 C ATOM 1440 NE ARG A 92 6.689 -8.264 8.987 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.958 -9.459 9.501 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.581 -10.374 8.772 1.00 0.00 N ATOM 1443 NH2 ARG A 92 6.604 -9.740 10.750 1.00 0.00 N ATOM 0 HA ARG A 92 4.019 -9.436 8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.430 -7.904 5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.661 -7.307 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.289 -9.685 6.755 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.612 -8.414 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.099 -8.074 7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.898 -6.799 7.507 1.00 0.00 H new ATOM 0 HE ARG A 92 6.210 -7.583 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.856 -10.162 7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.786 -11.290 9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.125 -9.038 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.811 -10.658 11.144 1.00 0.00 H new ATOM 1457 N CYS A 93 1.753 -8.427 8.109 1.00 0.00 N ATOM 1458 CA CYS A 93 0.363 -7.985 8.088 1.00 0.00 C ATOM 1459 C CYS A 93 0.250 -6.572 7.526 1.00 0.00 C ATOM 1460 O CYS A 93 -0.350 -5.693 8.144 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.231 -8.036 9.496 1.00 0.00 C ATOM 1462 SG CYS A 93 -1.984 -8.472 9.543 1.00 0.00 S ATOM 0 H CYS A 93 2.196 -8.383 9.027 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.197 -8.659 7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.328 -8.760 10.088 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.097 -7.064 9.971 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.108 -9.753 9.730 1.00 0.00 H new ATOM 1468 N VAL A 94 0.833 -6.360 6.350 1.00 0.00 N ATOM 1469 CA VAL A 94 0.797 -5.054 5.703 1.00 0.00 C ATOM 1470 C VAL A 94 -0.638 -4.580 5.497 1.00 0.00 C ATOM 1471 O VAL A 94 -1.519 -5.368 5.153 1.00 0.00 O ATOM 1472 CB VAL A 94 1.517 -5.081 4.342 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.903 -6.134 3.434 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.472 -3.709 3.688 1.00 0.00 C ATOM 0 H VAL A 94 1.336 -7.076 5.826 1.00 0.00 H new ATOM 0 HA VAL A 94 1.314 -4.360 6.366 1.00 0.00 H new ATOM 0 HB VAL A 94 2.562 -5.344 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.425 -6.138 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.994 -7.115 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.150 -5.905 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.986 -3.747 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.434 -3.414 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.964 -2.982 4.334 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.866 -3.289 5.709 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.193 -2.709 5.546 1.00 0.00 C ATOM 1486 C LYS A 95 -2.326 -2.031 4.185 1.00 0.00 C ATOM 1487 O LYS A 95 -1.525 -1.165 3.830 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.471 -1.697 6.661 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.765 -1.959 7.410 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.502 -2.504 8.803 1.00 0.00 C ATOM 1491 CE LYS A 95 -4.571 -3.499 9.224 1.00 0.00 C ATOM 1492 NZ LYS A 95 -4.368 -3.975 10.621 1.00 0.00 N ATOM 0 H LYS A 95 -0.148 -2.623 5.995 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.925 -3.515 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.642 -1.712 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.506 -0.696 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.338 -1.035 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.374 -2.669 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.525 -2.986 8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.469 -1.681 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.553 -3.034 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.561 -4.352 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.118 -4.652 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.441 -4.441 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.403 -3.165 11.272 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.342 -2.430 3.428 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.582 -1.859 2.108 1.00 0.00 C ATOM 1508 C VAL A 96 -4.933 -1.154 2.050 1.00 0.00 C ATOM 1509 O VAL A 96 -5.982 -1.792 2.143 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.533 -2.940 1.012 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.241 -4.204 1.475 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.147 -2.418 -0.279 1.00 0.00 C ATOM 0 H VAL A 96 -4.013 -3.147 3.706 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.789 -1.133 1.929 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.489 -3.188 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.196 -4.956 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.752 -4.587 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.283 -3.976 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.104 -3.195 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.186 -2.141 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.591 -1.544 -0.619 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.899 0.165 1.896 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.121 0.958 1.825 1.00 0.00 C ATOM 1524 C ASP A 97 -6.024 2.008 0.723 1.00 0.00 C ATOM 1525 O ASP A 97 -4.977 2.627 0.532 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.394 1.635 3.170 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.716 0.637 4.266 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -7.587 -0.229 4.042 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.096 0.724 5.346 1.00 0.00 O ATOM 0 H ASP A 97 -4.039 0.708 1.818 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.947 0.287 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.523 2.222 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.225 2.331 3.061 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.121 2.203 0.001 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.160 3.178 -1.084 1.00 0.00 C ATOM 1536 C LEU A 98 -7.025 4.599 -0.545 1.00 0.00 C ATOM 1537 O LEU A 98 -7.826 5.039 0.280 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.464 3.042 -1.871 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.318 2.816 -3.377 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.851 1.446 -3.766 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.039 3.910 -4.153 1.00 0.00 C ATOM 0 H LEU A 98 -7.996 1.699 0.147 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.319 2.979 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.033 2.212 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.055 3.944 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.258 2.856 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.739 1.304 -4.841 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.291 0.674 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.906 1.377 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.925 3.733 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.098 3.901 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.611 4.879 -3.898 1.00 0.00 H new ATOM 1553 N SER A 99 -6.008 5.311 -1.017 1.00 0.00 N ATOM 1554 CA SER A 99 -5.767 6.682 -0.582 1.00 0.00 C ATOM 1555 C SER A 99 -6.622 7.663 -1.377 1.00 0.00 C ATOM 1556 O SER A 99 -6.680 7.598 -2.604 1.00 0.00 O ATOM 1557 CB SER A 99 -4.286 7.035 -0.736 1.00 0.00 C ATOM 1558 OG SER A 99 -3.836 7.834 0.344 1.00 0.00 O ATOM 0 H SER A 99 -5.337 4.962 -1.701 1.00 0.00 H new ATOM 0 HA SER A 99 -6.043 6.758 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.695 6.121 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.132 7.567 -1.675 1.00 0.00 H new ATOM 0 HG SER A 99 -2.887 8.044 0.222 1.00 0.00 H new