USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 644 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 49 HIS : no HD1:sc= -1.16 K(o=-1.5,f=-0.59) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.371 K(o=-1.5,f=-0.59) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.178 USER MOD Set 2.2: A 57 GLN : amide:sc= -0.844 K(o=-0.67,f=-1.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -19:sc= 0.721 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -31:sc= 0.507 USER MOD Single : A 47 GLN : amide:sc= -0.955 K(o=-0.95,f=-3.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot -150:sc= -0.953 USER MOD Single : A 61 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.056) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 152:sc= -0.483 (180deg=-2.03!) USER MOD Single : A 71 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-0.24) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -170:sc= 0 USER MOD Single : A 76 THR OG1 : rot 55:sc= 1.14 USER MOD Single : A 90 HIS : no HD1:sc= -0.706 K(o=-0.71,f=0.18) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.02! C(o=-2!,f=-6.7!) USER MOD Single : A 105 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.083) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 40:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.410 -0.242 -2.441 1.00 0.00 N ATOM 318 CA LYS A 21 3.460 -0.648 -1.039 1.00 0.00 C ATOM 319 C LYS A 21 2.112 -1.192 -0.582 1.00 0.00 C ATOM 320 O LYS A 21 2.019 -2.316 -0.089 1.00 0.00 O ATOM 321 CB LYS A 21 3.863 0.537 -0.161 1.00 0.00 C ATOM 322 CG LYS A 21 4.922 0.211 0.880 1.00 0.00 C ATOM 323 CD LYS A 21 6.142 -0.452 0.259 1.00 0.00 C ATOM 324 CE LYS A 21 6.424 -1.801 0.898 1.00 0.00 C ATOM 325 NZ LYS A 21 7.367 -2.615 0.083 1.00 0.00 N ATOM 0 HA LYS A 21 4.204 -1.438 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.233 1.339 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.976 0.917 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.225 1.126 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.496 -0.448 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.983 -0.581 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.010 0.197 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.841 -1.651 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.488 -2.346 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.533 -3.528 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.958 -2.780 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.269 -2.107 -0.015 1.00 0.00 H new ATOM 339 N ARG A 22 1.072 -0.386 -0.748 1.00 0.00 N ATOM 340 CA ARG A 22 -0.270 -0.787 -0.353 1.00 0.00 C ATOM 341 C ARG A 22 -1.252 -0.548 -1.491 1.00 0.00 C ATOM 342 O ARG A 22 -0.989 0.244 -2.396 1.00 0.00 O ATOM 343 CB ARG A 22 -0.720 -0.014 0.888 1.00 0.00 C ATOM 344 CG ARG A 22 0.141 -0.256 2.117 1.00 0.00 C ATOM 345 CD ARG A 22 -0.685 -0.177 3.393 1.00 0.00 C ATOM 346 NE ARG A 22 -0.284 0.944 4.242 1.00 0.00 N ATOM 347 CZ ARG A 22 0.581 0.845 5.250 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.175 -0.312 5.519 1.00 0.00 N ATOM 349 NH2 ARG A 22 0.863 1.912 5.984 1.00 0.00 N ATOM 0 H ARG A 22 1.132 0.548 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.250 -1.851 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.717 1.052 0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.749 -0.287 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.613 -1.236 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.943 0.482 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.739 -0.077 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.580 -1.108 3.950 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.692 1.859 4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.970 -1.134 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.836 -0.378 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.418 2.806 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.525 1.839 6.757 1.00 0.00 H new ATOM 363 N LYS A 23 -2.382 -1.236 -1.441 1.00 0.00 N ATOM 364 CA LYS A 23 -3.401 -1.100 -2.468 1.00 0.00 C ATOM 365 C LYS A 23 -4.787 -0.976 -1.838 1.00 0.00 C ATOM 366 O LYS A 23 -5.260 -1.895 -1.168 1.00 0.00 O ATOM 367 CB LYS A 23 -3.335 -2.299 -3.418 1.00 0.00 C ATOM 368 CG LYS A 23 -1.960 -2.498 -4.043 1.00 0.00 C ATOM 369 CD LYS A 23 -1.094 -3.441 -3.223 1.00 0.00 C ATOM 370 CE LYS A 23 0.360 -3.385 -3.665 1.00 0.00 C ATOM 371 NZ LYS A 23 1.186 -4.430 -2.998 1.00 0.00 N ATOM 0 H LYS A 23 -2.616 -1.895 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.215 -0.190 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.613 -3.201 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.071 -2.166 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.074 -2.895 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.460 -1.534 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.165 -3.178 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.467 -4.460 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.416 -3.514 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.770 -2.400 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.170 -4.357 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.154 -4.292 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.811 -5.371 -3.233 1.00 0.00 H new ATOM 385 N ILE A 24 -5.431 0.173 -2.048 1.00 0.00 N ATOM 386 CA ILE A 24 -6.759 0.417 -1.489 1.00 0.00 C ATOM 387 C ILE A 24 -7.844 0.239 -2.545 1.00 0.00 C ATOM 388 O ILE A 24 -7.585 0.411 -3.734 1.00 0.00 O ATOM 389 CB ILE A 24 -6.878 1.834 -0.895 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.653 2.167 -0.039 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.156 1.958 -0.077 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.827 3.307 -0.592 1.00 0.00 C ATOM 0 H ILE A 24 -5.056 0.945 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.897 -0.316 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.922 2.550 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.981 2.421 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.025 1.280 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.227 2.964 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.018 1.767 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.140 1.232 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.975 3.490 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.469 3.047 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.440 4.206 -0.650 1.00 0.00 H new ATOM 404 N ILE A 25 -9.061 -0.095 -2.112 1.00 0.00 N ATOM 405 CA ILE A 25 -10.178 -0.288 -3.032 1.00 0.00 C ATOM 406 C ILE A 25 -11.317 0.675 -2.723 1.00 0.00 C ATOM 407 O ILE A 25 -11.577 0.995 -1.563 1.00 0.00 O ATOM 408 CB ILE A 25 -10.722 -1.729 -2.987 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.246 -2.062 -1.594 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.649 -2.731 -3.392 1.00 0.00 C ATOM 411 CD1 ILE A 25 -11.651 -3.510 -1.441 1.00 0.00 C ATOM 0 H ILE A 25 -9.296 -0.237 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.789 -0.090 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.544 -1.797 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.477 -1.827 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.104 -1.426 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.059 -3.740 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.315 -2.516 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.804 -2.656 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.015 -3.681 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.441 -3.744 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.790 -4.151 -1.630 1.00 0.00 H new ATOM 423 N VAL A 26 -12.004 1.126 -3.767 1.00 0.00 N ATOM 424 CA VAL A 26 -13.124 2.044 -3.600 1.00 0.00 C ATOM 425 C VAL A 26 -14.374 1.501 -4.286 1.00 0.00 C ATOM 426 O VAL A 26 -14.416 1.375 -5.510 1.00 0.00 O ATOM 427 CB VAL A 26 -12.782 3.443 -4.163 1.00 0.00 C ATOM 428 CG1 VAL A 26 -14.009 4.346 -4.200 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.676 4.083 -3.338 1.00 0.00 C ATOM 0 H VAL A 26 -11.806 0.872 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.320 2.137 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.434 3.317 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.731 5.321 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.773 3.896 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.402 4.468 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.443 5.068 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.006 4.185 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.785 3.456 -3.375 1.00 0.00 H new ATOM 439 N ALA A 27 -15.393 1.186 -3.490 1.00 0.00 N ATOM 440 CA ALA A 27 -16.643 0.662 -4.026 1.00 0.00 C ATOM 441 C ALA A 27 -17.814 1.583 -3.710 1.00 0.00 C ATOM 442 O ALA A 27 -18.070 1.907 -2.551 1.00 0.00 O ATOM 443 CB ALA A 27 -16.909 -0.741 -3.495 1.00 0.00 C ATOM 0 H ALA A 27 -15.376 1.285 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.542 0.611 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.847 -1.114 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.094 -1.402 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.977 -0.712 -2.407 1.00 0.00 H new ATOM 449 N CYS A 28 -18.515 2.012 -4.758 1.00 0.00 N ATOM 450 CA CYS A 28 -19.656 2.910 -4.601 1.00 0.00 C ATOM 451 C CYS A 28 -20.894 2.359 -5.306 1.00 0.00 C ATOM 452 O CYS A 28 -20.799 1.441 -6.121 1.00 0.00 O ATOM 453 CB CYS A 28 -19.313 4.297 -5.153 1.00 0.00 C ATOM 454 SG CYS A 28 -20.304 5.642 -4.457 1.00 0.00 S ATOM 0 H CYS A 28 -18.313 1.752 -5.723 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.879 2.990 -3.537 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.260 4.501 -4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.444 4.287 -6.235 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.936 6.771 -4.986 1.00 0.00 H new ATOM 510 N THR A 34 -19.139 11.441 -8.104 1.00 0.00 N ATOM 511 CA THR A 34 -18.316 11.430 -6.899 1.00 0.00 C ATOM 512 C THR A 34 -17.128 10.479 -7.053 1.00 0.00 C ATOM 513 O THR A 34 -16.250 10.428 -6.191 1.00 0.00 O ATOM 514 CB THR A 34 -19.156 11.030 -5.687 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.297 10.301 -6.090 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.635 12.212 -4.873 1.00 0.00 C ATOM 0 HA THR A 34 -17.928 12.437 -6.746 1.00 0.00 H new ATOM 0 HB THR A 34 -18.496 10.424 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.467 10.460 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.225 11.857 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.776 12.773 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.250 12.859 -5.498 1.00 0.00 H new ATOM 524 N SER A 35 -17.098 9.734 -8.156 1.00 0.00 N ATOM 525 CA SER A 35 -16.010 8.801 -8.416 1.00 0.00 C ATOM 526 C SER A 35 -14.708 9.555 -8.646 1.00 0.00 C ATOM 527 O SER A 35 -13.679 9.249 -8.043 1.00 0.00 O ATOM 528 CB SER A 35 -16.333 7.939 -9.642 1.00 0.00 C ATOM 529 OG SER A 35 -17.185 6.857 -9.304 1.00 0.00 O ATOM 0 H SER A 35 -17.815 9.760 -8.881 1.00 0.00 H new ATOM 0 HA SER A 35 -15.895 8.155 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.809 8.554 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.408 7.555 -10.073 1.00 0.00 H new ATOM 0 HG SER A 35 -17.374 6.327 -10.106 1.00 0.00 H new ATOM 535 N THR A 36 -14.767 10.553 -9.521 1.00 0.00 N ATOM 536 CA THR A 36 -13.600 11.366 -9.839 1.00 0.00 C ATOM 537 C THR A 36 -13.147 12.155 -8.618 1.00 0.00 C ATOM 538 O THR A 36 -11.965 12.465 -8.471 1.00 0.00 O ATOM 539 CB THR A 36 -13.912 12.324 -10.992 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.145 11.990 -11.609 1.00 0.00 O ATOM 541 CG2 THR A 36 -12.850 12.328 -12.068 1.00 0.00 C ATOM 0 H THR A 36 -15.614 10.819 -10.024 1.00 0.00 H new ATOM 0 HA THR A 36 -12.794 10.698 -10.143 1.00 0.00 H new ATOM 0 HB THR A 36 -13.955 13.314 -10.538 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.325 12.616 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.132 13.027 -12.855 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.896 12.632 -11.637 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.755 11.327 -12.489 1.00 0.00 H new ATOM 549 N MET A 37 -14.093 12.478 -7.742 1.00 0.00 N ATOM 550 CA MET A 37 -13.782 13.228 -6.536 1.00 0.00 C ATOM 551 C MET A 37 -12.839 12.440 -5.640 1.00 0.00 C ATOM 552 O MET A 37 -11.780 12.934 -5.257 1.00 0.00 O ATOM 553 CB MET A 37 -15.062 13.570 -5.772 1.00 0.00 C ATOM 554 CG MET A 37 -15.025 14.934 -5.104 1.00 0.00 C ATOM 555 SD MET A 37 -15.669 16.243 -6.166 1.00 0.00 S ATOM 556 CE MET A 37 -14.166 17.141 -6.544 1.00 0.00 C ATOM 0 H MET A 37 -15.077 12.232 -7.846 1.00 0.00 H new ATOM 0 HA MET A 37 -13.290 14.154 -6.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.907 13.534 -6.460 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.237 12.808 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.606 14.899 -4.183 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.998 15.170 -4.824 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.399 17.984 -7.195 1.00 0.00 H new ATOM 0 HE2 MET A 37 -13.720 17.509 -5.620 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.463 16.478 -7.047 1.00 0.00 H new ATOM 566 N ALA A 38 -13.225 11.211 -5.311 1.00 0.00 N ATOM 567 CA ALA A 38 -12.405 10.362 -4.459 1.00 0.00 C ATOM 568 C ALA A 38 -11.069 10.041 -5.119 1.00 0.00 C ATOM 569 O ALA A 38 -10.012 10.354 -4.576 1.00 0.00 O ATOM 570 CB ALA A 38 -13.149 9.079 -4.122 1.00 0.00 C ATOM 0 H ALA A 38 -14.098 10.784 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.201 10.907 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.525 8.453 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.074 9.321 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.382 8.542 -5.041 1.00 0.00 H new ATOM 576 N ALA A 39 -11.119 9.424 -6.297 1.00 0.00 N ATOM 577 CA ALA A 39 -9.902 9.068 -7.024 1.00 0.00 C ATOM 578 C ALA A 39 -8.927 10.237 -7.071 1.00 0.00 C ATOM 579 O ALA A 39 -7.768 10.111 -6.675 1.00 0.00 O ATOM 580 CB ALA A 39 -10.239 8.604 -8.431 1.00 0.00 C ATOM 0 H ALA A 39 -11.985 9.161 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.421 8.248 -6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.321 8.343 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.889 7.731 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.749 9.405 -8.966 1.00 0.00 H new ATOM 586 N GLU A 40 -9.408 11.377 -7.549 1.00 0.00 N ATOM 587 CA GLU A 40 -8.580 12.569 -7.638 1.00 0.00 C ATOM 588 C GLU A 40 -8.100 12.997 -6.254 1.00 0.00 C ATOM 589 O GLU A 40 -6.959 13.418 -6.094 1.00 0.00 O ATOM 590 CB GLU A 40 -9.357 13.710 -8.302 1.00 0.00 C ATOM 591 CG GLU A 40 -8.468 14.812 -8.859 1.00 0.00 C ATOM 592 CD GLU A 40 -8.776 16.172 -8.260 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.675 16.860 -8.785 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.116 16.547 -7.268 1.00 0.00 O ATOM 0 H GLU A 40 -10.365 11.500 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.709 12.334 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.964 13.302 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.043 14.142 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.424 14.563 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.591 14.860 -9.941 1.00 0.00 H new ATOM 601 N GLU A 41 -8.981 12.883 -5.259 1.00 0.00 N ATOM 602 CA GLU A 41 -8.642 13.264 -3.887 1.00 0.00 C ATOM 603 C GLU A 41 -7.585 12.335 -3.293 1.00 0.00 C ATOM 604 O GLU A 41 -6.585 12.794 -2.748 1.00 0.00 O ATOM 605 CB GLU A 41 -9.891 13.260 -3.001 1.00 0.00 C ATOM 606 CG GLU A 41 -10.398 14.653 -2.653 1.00 0.00 C ATOM 607 CD GLU A 41 -10.577 15.535 -3.874 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.544 15.313 -4.632 1.00 0.00 O ATOM 609 OE2 GLU A 41 -9.750 16.450 -4.070 1.00 0.00 O ATOM 0 H GLU A 41 -9.931 12.531 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.231 14.273 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.684 12.710 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.670 12.722 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.350 14.568 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.698 15.129 -1.966 1.00 0.00 H new ATOM 616 N ILE A 42 -7.811 11.028 -3.391 1.00 0.00 N ATOM 617 CA ILE A 42 -6.866 10.059 -2.851 1.00 0.00 C ATOM 618 C ILE A 42 -5.557 10.083 -3.635 1.00 0.00 C ATOM 619 O ILE A 42 -4.475 10.009 -3.054 1.00 0.00 O ATOM 620 CB ILE A 42 -7.435 8.624 -2.864 1.00 0.00 C ATOM 621 CG1 ILE A 42 -8.882 8.602 -2.366 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.574 7.712 -2.006 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.070 9.250 -1.012 1.00 0.00 C ATOM 0 H ILE A 42 -8.633 10.619 -3.835 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.681 10.347 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.423 8.263 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.515 9.111 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.223 7.568 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.985 6.702 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.557 7.697 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.562 8.082 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.120 9.196 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.465 8.727 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.761 10.294 -1.062 1.00 0.00 H new ATOM 635 N LYS A 43 -5.662 10.192 -4.958 1.00 0.00 N ATOM 636 CA LYS A 43 -4.483 10.231 -5.818 1.00 0.00 C ATOM 637 C LYS A 43 -3.559 11.379 -5.428 1.00 0.00 C ATOM 638 O LYS A 43 -2.383 11.170 -5.136 1.00 0.00 O ATOM 639 CB LYS A 43 -4.893 10.378 -7.288 1.00 0.00 C ATOM 640 CG LYS A 43 -3.721 10.310 -8.259 1.00 0.00 C ATOM 641 CD LYS A 43 -3.071 11.673 -8.463 1.00 0.00 C ATOM 642 CE LYS A 43 -3.728 12.450 -9.591 1.00 0.00 C ATOM 643 NZ LYS A 43 -4.096 13.828 -9.165 1.00 0.00 N ATOM 0 H LYS A 43 -6.550 10.255 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.947 9.291 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.606 9.593 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.408 11.330 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.978 9.607 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.067 9.926 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.136 12.248 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.011 11.541 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.049 12.501 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.620 11.922 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.542 14.330 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.763 13.779 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.241 14.340 -8.869 1.00 0.00 H new ATOM 657 N GLU A 44 -4.098 12.595 -5.431 1.00 0.00 N ATOM 658 CA GLU A 44 -3.310 13.773 -5.084 1.00 0.00 C ATOM 659 C GLU A 44 -2.739 13.645 -3.680 1.00 0.00 C ATOM 660 O GLU A 44 -1.639 14.119 -3.404 1.00 0.00 O ATOM 661 CB GLU A 44 -4.160 15.046 -5.191 1.00 0.00 C ATOM 662 CG GLU A 44 -5.398 15.031 -4.308 1.00 0.00 C ATOM 663 CD GLU A 44 -5.591 16.320 -3.532 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.177 17.385 -4.035 1.00 0.00 O ATOM 665 OE2 GLU A 44 -6.161 16.262 -2.422 1.00 0.00 O ATOM 0 H GLU A 44 -5.071 12.790 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.484 13.844 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.545 15.906 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.466 15.182 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.277 14.852 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.327 14.199 -3.607 1.00 0.00 H new ATOM 672 N LEU A 45 -3.491 13.001 -2.797 1.00 0.00 N ATOM 673 CA LEU A 45 -3.061 12.818 -1.417 1.00 0.00 C ATOM 674 C LEU A 45 -1.901 11.832 -1.327 1.00 0.00 C ATOM 675 O LEU A 45 -0.859 12.138 -0.747 1.00 0.00 O ATOM 676 CB LEU A 45 -4.230 12.329 -0.565 1.00 0.00 C ATOM 677 CG LEU A 45 -4.164 12.721 0.910 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.162 14.235 1.065 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.331 12.106 1.664 1.00 0.00 C ATOM 0 H LEU A 45 -4.402 12.596 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.717 13.781 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.156 12.719 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.281 11.242 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.235 12.338 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.115 14.492 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.296 14.652 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.074 14.646 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.276 12.391 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.268 12.465 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.287 11.020 1.580 1.00 0.00 H new ATOM 691 N CYS A 46 -2.086 10.645 -1.897 1.00 0.00 N ATOM 692 CA CYS A 46 -1.051 9.619 -1.870 1.00 0.00 C ATOM 693 C CYS A 46 0.240 10.127 -2.506 1.00 0.00 C ATOM 694 O CYS A 46 1.338 9.781 -2.069 1.00 0.00 O ATOM 695 CB CYS A 46 -1.532 8.352 -2.585 1.00 0.00 C ATOM 696 SG CYS A 46 -1.603 8.482 -4.388 1.00 0.00 S ATOM 0 H CYS A 46 -2.941 10.371 -2.382 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.845 9.376 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.870 7.528 -2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.524 8.096 -2.213 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.871 9.709 -4.724 1.00 0.00 H new ATOM 702 N GLN A 47 0.099 10.949 -3.540 1.00 0.00 N ATOM 703 CA GLN A 47 1.251 11.507 -4.238 1.00 0.00 C ATOM 704 C GLN A 47 1.904 12.611 -3.414 1.00 0.00 C ATOM 705 O GLN A 47 3.113 12.593 -3.179 1.00 0.00 O ATOM 706 CB GLN A 47 0.829 12.053 -5.603 1.00 0.00 C ATOM 707 CG GLN A 47 1.939 12.023 -6.639 1.00 0.00 C ATOM 708 CD GLN A 47 1.417 11.820 -8.048 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.208 11.790 -8.277 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.331 11.682 -9.001 1.00 0.00 N ATOM 0 H GLN A 47 -0.803 11.244 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 47 1.979 10.709 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.017 11.472 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.483 13.080 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.498 12.958 -6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.637 11.222 -6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.323 11.714 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.041 11.545 -9.969 1.00 0.00 H new ATOM 719 N SER A 48 1.097 13.575 -2.979 1.00 0.00 N ATOM 720 CA SER A 48 1.596 14.696 -2.182 1.00 0.00 C ATOM 721 C SER A 48 2.437 14.206 -1.008 1.00 0.00 C ATOM 722 O SER A 48 3.442 14.818 -0.650 1.00 0.00 O ATOM 723 CB SER A 48 0.434 15.547 -1.663 1.00 0.00 C ATOM 724 OG SER A 48 0.717 16.928 -1.793 1.00 0.00 O ATOM 0 H SER A 48 0.094 13.604 -3.164 1.00 0.00 H new ATOM 0 HA SER A 48 2.226 15.306 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.474 15.305 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.243 15.308 -0.617 1.00 0.00 H new ATOM 0 HG SER A 48 -0.041 17.450 -1.456 1.00 0.00 H new ATOM 730 N HIS A 49 2.012 13.099 -0.411 1.00 0.00 N ATOM 731 CA HIS A 49 2.716 12.523 0.726 1.00 0.00 C ATOM 732 C HIS A 49 3.778 11.518 0.273 1.00 0.00 C ATOM 733 O HIS A 49 4.577 11.039 1.079 1.00 0.00 O ATOM 734 CB HIS A 49 1.713 11.858 1.669 1.00 0.00 C ATOM 735 CG HIS A 49 2.113 11.909 3.110 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.733 12.926 3.958 1.00 0.00 N ATOM 737 CD2 HIS A 49 2.858 11.058 3.856 1.00 0.00 C ATOM 738 CE1 HIS A 49 2.224 12.702 5.163 1.00 0.00 C ATOM 739 NE2 HIS A 49 2.911 11.574 5.128 1.00 0.00 N ATOM 0 H HIS A 49 1.181 12.582 -0.697 1.00 0.00 H new ATOM 0 HA HIS A 49 3.230 13.325 1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.743 12.343 1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.586 10.817 1.373 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.323 10.145 3.515 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.087 13.333 6.029 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.401 11.154 5.918 1.00 0.00 H new ATOM 748 N ASN A 50 3.789 11.211 -1.024 1.00 0.00 N ATOM 749 CA ASN A 50 4.756 10.278 -1.591 1.00 0.00 C ATOM 750 C ASN A 50 4.612 8.884 -0.994 1.00 0.00 C ATOM 751 O ASN A 50 5.583 8.138 -0.912 1.00 0.00 O ATOM 752 CB ASN A 50 6.181 10.785 -1.371 1.00 0.00 C ATOM 753 CG ASN A 50 6.662 11.667 -2.505 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.857 11.202 -3.629 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.855 12.947 -2.217 1.00 0.00 N ATOM 0 H ASN A 50 3.134 11.599 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 50 4.554 10.213 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.225 11.344 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.854 9.934 -1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.178 13.590 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.681 13.289 -1.272 1.00 0.00 H new ATOM 762 N ILE A 51 3.399 8.534 -0.586 1.00 0.00 N ATOM 763 CA ILE A 51 3.149 7.216 -0.007 1.00 0.00 C ATOM 764 C ILE A 51 2.913 6.187 -1.109 1.00 0.00 C ATOM 765 O ILE A 51 1.878 6.211 -1.774 1.00 0.00 O ATOM 766 CB ILE A 51 1.934 7.232 0.938 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.053 8.388 1.927 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.812 5.909 1.677 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.861 8.524 2.849 1.00 0.00 C ATOM 0 H ILE A 51 2.578 9.137 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 51 4.033 6.944 0.570 1.00 0.00 H new ATOM 0 HB ILE A 51 1.032 7.373 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.952 8.250 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.180 9.318 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.947 5.941 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.688 5.100 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.713 5.736 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.017 9.366 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.039 8.694 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.745 7.610 3.431 1.00 0.00 H new ATOM 781 N PRO A 52 3.870 5.266 -1.325 1.00 0.00 N ATOM 782 CA PRO A 52 3.742 4.238 -2.360 1.00 0.00 C ATOM 783 C PRO A 52 2.463 3.426 -2.192 1.00 0.00 C ATOM 784 O PRO A 52 2.408 2.499 -1.385 1.00 0.00 O ATOM 785 CB PRO A 52 4.983 3.363 -2.158 1.00 0.00 C ATOM 786 CG PRO A 52 5.959 4.234 -1.448 1.00 0.00 C ATOM 787 CD PRO A 52 5.142 5.151 -0.585 1.00 0.00 C ATOM 0 HA PRO A 52 3.680 4.662 -3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.748 2.475 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.383 3.019 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.646 3.640 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.564 4.800 -2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.992 4.738 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.624 6.121 -0.459 1.00 0.00 H new ATOM 795 N VAL A 53 1.441 3.781 -2.968 1.00 0.00 N ATOM 796 CA VAL A 53 0.151 3.095 -2.920 1.00 0.00 C ATOM 797 C VAL A 53 -0.573 3.210 -4.257 1.00 0.00 C ATOM 798 O VAL A 53 -0.242 4.064 -5.080 1.00 0.00 O ATOM 799 CB VAL A 53 -0.768 3.675 -1.826 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.346 3.212 -0.440 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.796 5.194 -1.903 1.00 0.00 C ATOM 0 H VAL A 53 1.482 4.545 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 53 0.365 2.051 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.776 3.300 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.016 3.640 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.394 2.124 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.675 3.540 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.450 5.586 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.212 5.584 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.171 5.502 -2.879 1.00 0.00 H new ATOM 811 N GLU A 54 -1.566 2.352 -4.465 1.00 0.00 N ATOM 812 CA GLU A 54 -2.339 2.363 -5.703 1.00 0.00 C ATOM 813 C GLU A 54 -3.837 2.376 -5.410 1.00 0.00 C ATOM 814 O GLU A 54 -4.358 1.479 -4.744 1.00 0.00 O ATOM 815 CB GLU A 54 -1.989 1.148 -6.563 1.00 0.00 C ATOM 816 CG GLU A 54 -2.341 -0.175 -5.906 1.00 0.00 C ATOM 817 CD GLU A 54 -3.480 -0.894 -6.604 1.00 0.00 C ATOM 818 OE1 GLU A 54 -3.235 -1.513 -7.660 1.00 0.00 O ATOM 819 OE2 GLU A 54 -4.618 -0.839 -6.092 1.00 0.00 O ATOM 0 H GLU A 54 -1.855 1.641 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.084 3.271 -6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.513 1.223 -7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.922 1.163 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.461 -0.818 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.613 0.002 -4.865 1.00 0.00 H new ATOM 826 N LEU A 55 -4.520 3.407 -5.900 1.00 0.00 N ATOM 827 CA LEU A 55 -5.957 3.553 -5.686 1.00 0.00 C ATOM 828 C LEU A 55 -6.756 2.789 -6.738 1.00 0.00 C ATOM 829 O LEU A 55 -6.777 3.161 -7.912 1.00 0.00 O ATOM 830 CB LEU A 55 -6.332 5.040 -5.730 1.00 0.00 C ATOM 831 CG LEU A 55 -7.598 5.447 -4.964 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.850 5.055 -5.737 1.00 0.00 C ATOM 833 CD2 LEU A 55 -7.612 4.839 -3.567 1.00 0.00 C ATOM 0 H LEU A 55 -4.100 4.156 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.201 3.136 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.494 5.615 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.456 5.331 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.590 6.532 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.734 5.354 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.851 5.555 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.863 3.975 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.520 5.144 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.585 3.752 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.741 5.186 -3.011 1.00 0.00 H new ATOM 845 N ILE A 56 -7.416 1.721 -6.303 1.00 0.00 N ATOM 846 CA ILE A 56 -8.227 0.899 -7.195 1.00 0.00 C ATOM 847 C ILE A 56 -9.713 1.185 -6.992 1.00 0.00 C ATOM 848 O ILE A 56 -10.139 1.540 -5.891 1.00 0.00 O ATOM 849 CB ILE A 56 -7.937 -0.614 -7.009 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.224 -1.369 -8.299 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.744 -1.220 -5.870 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.025 -1.464 -9.215 1.00 0.00 C ATOM 0 H ILE A 56 -7.405 1.403 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.954 1.164 -8.217 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.881 -0.708 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.567 -2.375 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.039 -0.874 -8.828 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.506 -2.280 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.496 -0.712 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.808 -1.103 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.298 -2.014 -10.116 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.695 -0.462 -9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.216 -1.985 -8.703 1.00 0.00 H new ATOM 864 N GLN A 57 -10.506 1.023 -8.047 1.00 0.00 N ATOM 865 CA GLN A 57 -11.942 1.257 -7.965 1.00 0.00 C ATOM 866 C GLN A 57 -12.711 0.001 -8.376 1.00 0.00 C ATOM 867 O GLN A 57 -12.357 -0.656 -9.354 1.00 0.00 O ATOM 868 CB GLN A 57 -12.334 2.432 -8.862 1.00 0.00 C ATOM 869 CG GLN A 57 -13.252 3.436 -8.189 1.00 0.00 C ATOM 870 CD GLN A 57 -14.250 4.040 -9.154 1.00 0.00 C ATOM 871 OE1 GLN A 57 -14.600 3.431 -10.165 1.00 0.00 O ATOM 872 NE2 GLN A 57 -14.715 5.244 -8.847 1.00 0.00 N ATOM 0 H GLN A 57 -10.178 0.731 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.198 1.499 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.429 2.944 -9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.825 2.047 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.787 2.947 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.653 4.231 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.397 5.712 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.390 5.701 -9.460 1.00 0.00 H new ATOM 881 N CYS A 58 -13.757 -0.333 -7.620 1.00 0.00 N ATOM 882 CA CYS A 58 -14.571 -1.517 -7.902 1.00 0.00 C ATOM 883 C CYS A 58 -16.014 -1.292 -7.455 1.00 0.00 C ATOM 884 O CYS A 58 -16.306 -0.325 -6.759 1.00 0.00 O ATOM 885 CB CYS A 58 -13.998 -2.757 -7.204 1.00 0.00 C ATOM 886 SG CYS A 58 -12.191 -2.804 -7.113 1.00 0.00 S ATOM 0 H CYS A 58 -14.062 0.201 -6.806 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.553 -1.686 -8.979 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.401 -2.807 -6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.345 -3.646 -7.730 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.788 -4.040 -7.120 1.00 0.00 H new ATOM 892 N ARG A 59 -16.915 -2.182 -7.861 1.00 0.00 N ATOM 893 CA ARG A 59 -18.326 -2.072 -7.501 1.00 0.00 C ATOM 894 C ARG A 59 -18.597 -2.698 -6.131 1.00 0.00 C ATOM 895 O ARG A 59 -17.672 -2.958 -5.363 1.00 0.00 O ATOM 896 CB ARG A 59 -19.187 -2.754 -8.569 1.00 0.00 C ATOM 897 CG ARG A 59 -19.285 -1.966 -9.863 1.00 0.00 C ATOM 898 CD ARG A 59 -18.125 -2.280 -10.791 1.00 0.00 C ATOM 899 NE ARG A 59 -18.134 -1.436 -11.982 1.00 0.00 N ATOM 900 CZ ARG A 59 -17.063 -1.207 -12.738 1.00 0.00 C ATOM 901 NH1 ARG A 59 -15.893 -1.758 -12.435 1.00 0.00 N ATOM 902 NH2 ARG A 59 -17.162 -0.425 -13.805 1.00 0.00 N ATOM 0 H ARG A 59 -16.692 -2.990 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.584 -1.015 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.773 -3.739 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.190 -2.910 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.226 -2.198 -10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.297 -0.899 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.185 -2.142 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.172 -3.328 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.014 -0.995 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.810 -2.362 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.077 -1.577 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.058 -0.000 -14.045 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.342 -0.248 -14.386 1.00 0.00 H new ATOM 916 N VAL A 60 -19.874 -2.936 -5.833 1.00 0.00 N ATOM 917 CA VAL A 60 -20.269 -3.528 -4.560 1.00 0.00 C ATOM 918 C VAL A 60 -19.849 -4.995 -4.467 1.00 0.00 C ATOM 919 O VAL A 60 -19.728 -5.544 -3.371 1.00 0.00 O ATOM 920 CB VAL A 60 -21.794 -3.431 -4.352 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.181 -3.911 -2.961 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.276 -2.007 -4.583 1.00 0.00 C ATOM 0 H VAL A 60 -20.652 -2.727 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.759 -2.963 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.279 -4.079 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.261 -3.834 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.875 -4.950 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.685 -3.294 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.354 -1.959 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.781 -1.337 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.039 -1.704 -5.603 1.00 0.00 H new ATOM 932 N ASN A 61 -19.630 -5.627 -5.617 1.00 0.00 N ATOM 933 CA ASN A 61 -19.227 -7.031 -5.655 1.00 0.00 C ATOM 934 C ASN A 61 -18.127 -7.258 -6.689 1.00 0.00 C ATOM 935 O ASN A 61 -18.344 -7.915 -7.707 1.00 0.00 O ATOM 936 CB ASN A 61 -20.431 -7.926 -5.965 1.00 0.00 C ATOM 937 CG ASN A 61 -21.373 -7.322 -6.995 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.589 -7.304 -6.801 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.821 -6.826 -8.099 1.00 0.00 N ATOM 0 H ASN A 61 -19.724 -5.190 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.834 -7.293 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.076 -8.890 -6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.982 -8.115 -5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.410 -6.412 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.809 -6.860 -8.223 1.00 0.00 H new ATOM 946 N GLU A 62 -16.951 -6.707 -6.423 1.00 0.00 N ATOM 947 CA GLU A 62 -15.815 -6.839 -7.331 1.00 0.00 C ATOM 948 C GLU A 62 -14.500 -6.712 -6.571 1.00 0.00 C ATOM 949 O GLU A 62 -13.513 -7.369 -6.898 1.00 0.00 O ATOM 950 CB GLU A 62 -15.887 -5.778 -8.429 1.00 0.00 C ATOM 951 CG GLU A 62 -16.848 -6.129 -9.554 1.00 0.00 C ATOM 952 CD GLU A 62 -16.275 -5.837 -10.927 1.00 0.00 C ATOM 953 OE1 GLU A 62 -15.562 -6.707 -11.471 1.00 0.00 O ATOM 954 OE2 GLU A 62 -16.541 -4.740 -11.461 1.00 0.00 O ATOM 0 H GLU A 62 -16.756 -6.162 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.858 -7.827 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.190 -4.829 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.891 -5.631 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.105 -7.186 -9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.773 -5.567 -9.424 1.00 0.00 H new ATOM 961 N ILE A 63 -14.498 -5.863 -5.548 1.00 0.00 N ATOM 962 CA ILE A 63 -13.312 -5.646 -4.733 1.00 0.00 C ATOM 963 C ILE A 63 -12.747 -6.966 -4.228 1.00 0.00 C ATOM 964 O ILE A 63 -11.536 -7.118 -4.086 1.00 0.00 O ATOM 965 CB ILE A 63 -13.632 -4.769 -3.509 1.00 0.00 C ATOM 966 CG1 ILE A 63 -15.001 -5.133 -2.925 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.579 -3.293 -3.875 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.159 -4.747 -1.471 1.00 0.00 C ATOM 0 H ILE A 63 -15.309 -5.313 -5.265 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.582 -5.145 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.875 -4.958 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.779 -4.642 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.156 -6.207 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -13.808 -2.692 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.581 -3.043 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.310 -3.086 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.152 -5.034 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.404 -5.259 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.036 -3.669 -1.365 1.00 0.00 H new ATOM 980 N GLU A 64 -13.636 -7.915 -3.962 1.00 0.00 N ATOM 981 CA GLU A 64 -13.236 -9.225 -3.472 1.00 0.00 C ATOM 982 C GLU A 64 -12.530 -10.016 -4.564 1.00 0.00 C ATOM 983 O GLU A 64 -11.634 -10.811 -4.289 1.00 0.00 O ATOM 984 CB GLU A 64 -14.449 -10.000 -2.962 1.00 0.00 C ATOM 985 CG GLU A 64 -14.079 -11.202 -2.108 1.00 0.00 C ATOM 986 CD GLU A 64 -15.293 -11.955 -1.603 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.397 -11.370 -1.602 1.00 0.00 O ATOM 988 OE2 GLU A 64 -15.141 -13.130 -1.208 1.00 0.00 O ATOM 0 H GLU A 64 -14.643 -7.799 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.541 -9.080 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.081 -9.330 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.041 -10.336 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.453 -11.878 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.483 -10.869 -1.258 1.00 0.00 H new ATOM 995 N THR A 65 -12.940 -9.798 -5.805 1.00 0.00 N ATOM 996 CA THR A 65 -12.332 -10.499 -6.924 1.00 0.00 C ATOM 997 C THR A 65 -10.972 -9.894 -7.250 1.00 0.00 C ATOM 998 O THR A 65 -10.012 -10.616 -7.511 1.00 0.00 O ATOM 999 CB THR A 65 -13.239 -10.452 -8.154 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.577 -10.753 -7.802 1.00 0.00 O ATOM 1001 CG2 THR A 65 -12.822 -11.420 -9.243 1.00 0.00 C ATOM 0 H THR A 65 -13.683 -9.148 -6.060 1.00 0.00 H new ATOM 0 HA THR A 65 -12.196 -11.542 -6.639 1.00 0.00 H new ATOM 0 HB THR A 65 -13.151 -9.436 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.142 -10.716 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.507 -11.336 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.810 -11.183 -9.572 1.00 0.00 H new ATOM 0 HG23 THR A 65 -12.848 -12.438 -8.855 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.892 -8.566 -7.231 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.638 -7.882 -7.530 1.00 0.00 C ATOM 1011 C TYR A 66 -8.795 -7.649 -6.271 1.00 0.00 C ATOM 1012 O TYR A 66 -7.764 -6.978 -6.333 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.918 -6.546 -8.219 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.563 -6.689 -9.579 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -11.896 -7.059 -9.696 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -9.841 -6.457 -10.742 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.493 -7.195 -10.933 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.431 -6.591 -11.986 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.757 -6.961 -12.076 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.350 -7.096 -13.311 1.00 0.00 O ATOM 0 H TYR A 66 -11.673 -7.947 -7.014 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.067 -8.528 -8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.566 -5.946 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.981 -5.999 -8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.476 -7.244 -8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.803 -6.167 -10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.531 -7.483 -11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.857 -6.407 -12.882 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.695 -6.894 -14.012 1.00 0.00 H new ATOM 1030 N MET A 67 -9.204 -8.229 -5.139 1.00 0.00 N ATOM 1031 CA MET A 67 -8.438 -8.089 -3.895 1.00 0.00 C ATOM 1032 C MET A 67 -7.201 -8.996 -3.896 1.00 0.00 C ATOM 1033 O MET A 67 -6.937 -9.692 -2.915 1.00 0.00 O ATOM 1034 CB MET A 67 -9.307 -8.391 -2.666 1.00 0.00 C ATOM 1035 CG MET A 67 -9.805 -9.823 -2.598 1.00 0.00 C ATOM 1036 SD MET A 67 -9.033 -10.771 -1.271 1.00 0.00 S ATOM 1037 CE MET A 67 -9.291 -9.672 0.120 1.00 0.00 C ATOM 0 H MET A 67 -10.050 -8.793 -5.057 1.00 0.00 H new ATOM 0 HA MET A 67 -8.107 -7.052 -3.839 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.732 -8.174 -1.766 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.165 -7.719 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.886 -9.820 -2.455 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.611 -10.316 -3.551 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.345 -10.255 1.039 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.462 -8.967 0.186 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.223 -9.124 -0.017 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.444 -8.994 -4.990 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.249 -9.828 -5.086 1.00 0.00 C ATOM 1049 C ASP A 68 -4.233 -9.459 -4.008 1.00 0.00 C ATOM 1050 O ASP A 68 -3.439 -10.297 -3.578 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.618 -9.698 -6.476 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.849 -10.930 -7.331 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.192 -11.961 -7.076 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.688 -10.863 -8.253 1.00 0.00 O ATOM 0 H ASP A 68 -6.635 -8.428 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.548 -10.864 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.033 -8.825 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.547 -9.527 -6.372 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.264 -8.206 -3.570 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.341 -7.760 -2.543 1.00 0.00 C ATOM 1061 C GLY A 69 -3.671 -6.371 -2.041 1.00 0.00 C ATOM 1062 O GLY A 69 -2.818 -5.484 -2.040 1.00 0.00 O ATOM 0 H GLY A 69 -4.910 -7.492 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.363 -8.461 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.326 -7.769 -2.940 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.913 -6.180 -1.618 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.359 -4.887 -1.121 1.00 0.00 C ATOM 1068 C VAL A 70 -5.042 -4.723 0.362 1.00 0.00 C ATOM 1069 O VAL A 70 -5.347 -5.593 1.177 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.864 -4.700 -1.360 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.140 -4.568 -2.850 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.649 -5.859 -0.772 1.00 0.00 C ATOM 0 H VAL A 70 -5.630 -6.905 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.817 -4.120 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.186 -3.786 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.210 -4.436 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.604 -3.705 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.804 -5.469 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.713 -5.706 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.331 -6.790 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.467 -5.914 0.301 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.426 -3.594 0.701 1.00 0.00 N ATOM 1083 CA HIS A 71 -4.058 -3.299 2.082 1.00 0.00 C ATOM 1084 C HIS A 71 -5.120 -2.437 2.769 1.00 0.00 C ATOM 1085 O HIS A 71 -5.094 -2.262 3.986 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.704 -2.586 2.128 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.547 -3.505 2.374 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.135 -4.456 1.465 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.709 -3.612 3.433 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.094 -5.109 1.952 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.184 -4.615 3.144 1.00 0.00 N ATOM 0 H HIS A 71 -4.170 -2.865 0.035 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.987 -4.246 2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.547 -2.063 1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.728 -1.829 2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.738 -3.020 4.336 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.438 -5.909 1.459 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.940 -4.928 3.753 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.044 -1.889 1.983 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.099 -1.038 2.524 1.00 0.00 C ATOM 1102 C LEU A 72 -8.330 -1.061 1.627 1.00 0.00 C ATOM 1103 O LEU A 72 -8.219 -1.209 0.414 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.592 0.403 2.653 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.883 0.739 3.972 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.460 1.216 3.710 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.663 1.795 4.746 1.00 0.00 C ATOM 0 H LEU A 72 -6.083 -2.019 0.972 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.375 -1.422 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.905 0.603 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.438 1.079 2.533 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.837 -0.168 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.974 1.449 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.902 0.432 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.485 2.109 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.145 2.020 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.741 2.702 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.662 1.420 4.968 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.506 -0.918 2.221 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.734 -0.918 1.445 1.00 0.00 C ATOM 1121 C ILE A 73 -11.722 0.125 1.963 1.00 0.00 C ATOM 1122 O ILE A 73 -11.807 0.382 3.162 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.385 -2.324 1.423 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.900 -2.232 1.176 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.072 -3.082 2.699 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.606 -3.570 1.176 1.00 0.00 C ATOM 0 H ILE A 73 -9.634 -0.802 3.226 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.470 -0.651 0.422 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.956 -2.883 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.345 -1.598 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -13.072 -1.742 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.539 -4.066 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.993 -3.196 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.459 -2.529 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.670 -3.420 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.190 -4.201 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.467 -4.055 2.142 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.467 0.722 1.039 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.454 1.736 1.389 1.00 0.00 C ATOM 1140 C CYS A 74 -14.822 1.387 0.805 1.00 0.00 C ATOM 1141 O CYS A 74 -15.052 1.543 -0.395 1.00 0.00 O ATOM 1142 CB CYS A 74 -13.002 3.109 0.886 1.00 0.00 C ATOM 1143 SG CYS A 74 -12.975 4.390 2.162 1.00 0.00 S ATOM 0 H CYS A 74 -12.406 0.521 0.041 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.542 1.767 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.004 3.017 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.666 3.426 0.082 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.578 5.513 1.641 1.00 0.00 H new ATOM 1149 N THR A 75 -15.728 0.922 1.659 1.00 0.00 N ATOM 1150 CA THR A 75 -17.078 0.558 1.230 1.00 0.00 C ATOM 1151 C THR A 75 -18.100 0.958 2.290 1.00 0.00 C ATOM 1152 O THR A 75 -17.798 0.952 3.482 1.00 0.00 O ATOM 1153 CB THR A 75 -17.164 -0.946 0.955 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.087 -1.369 0.131 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.457 -1.355 0.278 1.00 0.00 C ATOM 0 H THR A 75 -15.553 0.787 2.655 1.00 0.00 H new ATOM 0 HA THR A 75 -17.303 1.095 0.308 1.00 0.00 H new ATOM 0 HB THR A 75 -17.119 -1.425 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.243 -2.291 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.455 -2.432 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.301 -1.088 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.546 -0.840 -0.678 1.00 0.00 H new ATOM 1163 N THR A 76 -19.307 1.314 1.855 1.00 0.00 N ATOM 1164 CA THR A 76 -20.361 1.725 2.778 1.00 0.00 C ATOM 1165 C THR A 76 -21.323 0.575 3.064 1.00 0.00 C ATOM 1166 O THR A 76 -22.414 0.511 2.498 1.00 0.00 O ATOM 1167 CB THR A 76 -21.123 2.927 2.210 1.00 0.00 C ATOM 1168 OG1 THR A 76 -21.985 2.543 1.148 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.208 4.014 1.686 1.00 0.00 C ATOM 0 H THR A 76 -19.578 1.326 0.872 1.00 0.00 H new ATOM 0 HA THR A 76 -19.893 2.014 3.719 1.00 0.00 H new ATOM 0 HB THR A 76 -21.698 3.318 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.585 1.832 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.807 4.838 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.574 4.377 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.584 3.611 0.888 1.00 0.00 H new ATOM 1294 N GLY A 84 -13.827 -11.944 5.908 1.00 0.00 N ATOM 1295 CA GLY A 84 -12.734 -12.574 6.628 1.00 0.00 C ATOM 1296 C GLY A 84 -11.972 -11.594 7.502 1.00 0.00 C ATOM 1297 O GLY A 84 -12.072 -11.637 8.728 1.00 0.00 O ATOM 0 HA2 GLY A 84 -13.128 -13.379 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.047 -13.029 5.914 1.00 0.00 H new ATOM 1301 N ASP A 85 -11.215 -10.705 6.868 1.00 0.00 N ATOM 1302 CA ASP A 85 -10.443 -9.707 7.596 1.00 0.00 C ATOM 1303 C ASP A 85 -10.198 -8.475 6.731 1.00 0.00 C ATOM 1304 O ASP A 85 -9.299 -7.686 7.010 1.00 0.00 O ATOM 1305 CB ASP A 85 -9.107 -10.296 8.050 1.00 0.00 C ATOM 1306 CG ASP A 85 -8.555 -9.600 9.279 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -9.100 -9.819 10.381 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.578 -8.835 9.139 1.00 0.00 O ATOM 0 H ASP A 85 -11.120 -10.656 5.854 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.017 -9.408 8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.235 -11.357 8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.385 -10.219 7.237 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.999 -8.318 5.676 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.859 -7.186 4.772 1.00 0.00 C ATOM 1315 C ILE A 86 -10.945 -5.855 5.529 1.00 0.00 C ATOM 1316 O ILE A 86 -12.022 -5.423 5.928 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.928 -7.226 3.654 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.624 -6.171 2.596 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -13.320 -7.016 4.225 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.092 -6.543 1.208 1.00 0.00 C ATOM 0 H ILE A 86 -11.750 -8.963 5.430 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.873 -7.261 4.313 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.898 -8.211 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.094 -5.232 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.549 -5.995 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.053 -7.049 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.540 -7.803 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.368 -6.046 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.840 -5.743 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.602 -7.465 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.172 -6.690 1.215 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.799 -5.191 5.754 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.754 -3.911 6.481 1.00 0.00 C ATOM 1334 C PRO A 87 -10.450 -2.776 5.729 1.00 0.00 C ATOM 1335 O PRO A 87 -9.785 -1.901 5.173 1.00 0.00 O ATOM 1336 CB PRO A 87 -8.251 -3.623 6.586 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.642 -4.381 5.456 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.457 -5.634 5.337 1.00 0.00 C ATOM 0 HA PRO A 87 -10.270 -3.975 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.045 -2.556 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.851 -3.952 7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.672 -3.803 4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.595 -4.610 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.457 -6.021 4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.075 -6.427 5.979 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.786 -2.786 5.712 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.537 -1.743 5.011 1.00 0.00 C ATOM 1348 C LEU A 88 -13.030 -0.664 5.957 1.00 0.00 C ATOM 1349 O LEU A 88 -13.101 -0.860 7.171 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.722 -2.328 4.235 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.917 -2.775 5.065 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -16.189 -2.678 4.238 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.695 -4.190 5.560 1.00 0.00 C ATOM 0 H LEU A 88 -12.362 -3.494 6.168 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.843 -1.289 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.064 -1.581 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.366 -3.183 3.660 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.025 -2.121 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.039 -3.000 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.339 -1.646 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.102 -3.319 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.553 -4.506 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.577 -4.859 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.796 -4.223 6.175 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.380 0.476 5.379 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.880 1.604 6.151 1.00 0.00 C ATOM 1367 C VAL A 89 -15.053 2.258 5.434 1.00 0.00 C ATOM 1368 O VAL A 89 -15.176 2.166 4.212 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.797 2.682 6.400 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -13.111 3.457 7.673 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.394 2.082 6.474 1.00 0.00 C ATOM 0 H VAL A 89 -13.327 0.644 4.374 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.192 1.202 7.115 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.812 3.364 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.343 4.212 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.082 3.943 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.134 2.771 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.668 2.876 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.349 1.362 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.163 1.580 5.534 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.910 2.928 6.196 1.00 0.00 N ATOM 1382 CA HIS A 90 -17.068 3.606 5.629 1.00 0.00 C ATOM 1383 C HIS A 90 -16.674 4.979 5.094 1.00 0.00 C ATOM 1384 O HIS A 90 -15.865 5.683 5.700 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.166 3.752 6.683 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.935 2.492 6.931 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.943 2.396 7.864 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.841 1.270 6.355 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.438 1.171 7.853 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.787 0.467 6.944 1.00 0.00 N ATOM 0 H HIS A 90 -15.824 3.016 7.209 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.448 3.004 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.717 4.083 7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.858 4.533 6.368 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.150 0.981 5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.238 0.807 8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.959 -0.512 6.717 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.245 5.354 3.954 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.939 6.641 3.358 1.00 0.00 C ATOM 1401 C GLY A 91 -18.108 7.602 3.427 1.00 0.00 C ATOM 1402 O GLY A 91 -18.225 8.508 2.600 1.00 0.00 O ATOM 0 H GLY A 91 -17.915 4.789 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.081 7.080 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.652 6.497 2.316 1.00 0.00 H new ATOM 1406 N MET A 92 -18.975 7.405 4.414 1.00 0.00 N ATOM 1407 CA MET A 92 -20.144 8.261 4.589 1.00 0.00 C ATOM 1408 C MET A 92 -19.741 9.731 4.720 1.00 0.00 C ATOM 1409 O MET A 92 -20.302 10.593 4.043 1.00 0.00 O ATOM 1410 CB MET A 92 -20.947 7.819 5.815 1.00 0.00 C ATOM 1411 CG MET A 92 -22.267 8.555 5.977 1.00 0.00 C ATOM 1412 SD MET A 92 -23.044 8.247 7.575 1.00 0.00 S ATOM 1413 CE MET A 92 -23.646 9.885 7.977 1.00 0.00 C ATOM 0 H MET A 92 -18.891 6.660 5.106 1.00 0.00 H new ATOM 0 HA MET A 92 -20.769 8.162 3.701 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.144 6.749 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.343 7.973 6.709 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.098 9.625 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.948 8.251 5.182 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.153 9.860 8.942 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.807 10.579 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.345 10.215 7.208 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.763 10.047 5.593 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.310 11.428 5.790 1.00 0.00 C ATOM 1425 C PRO A 93 -17.430 11.931 4.647 1.00 0.00 C ATOM 1426 O PRO A 93 -17.200 13.134 4.519 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.507 11.350 7.086 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.984 9.957 7.123 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.026 9.099 6.455 1.00 0.00 C ATOM 0 HA PRO A 93 -19.146 12.127 5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.696 12.078 7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.133 11.561 7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.029 9.886 6.602 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.812 9.633 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.571 8.298 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.684 8.627 7.185 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.941 11.013 3.819 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.089 11.393 2.697 1.00 0.00 C ATOM 1439 C PHE A 94 -16.929 11.766 1.478 1.00 0.00 C ATOM 1440 O PHE A 94 -16.595 12.695 0.744 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.135 10.243 2.348 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.685 10.642 2.296 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.170 11.569 3.190 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.833 10.085 1.353 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.838 11.932 3.145 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.501 10.445 1.303 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.002 11.369 2.201 1.00 0.00 C ATOM 0 H PHE A 94 -17.117 10.012 3.902 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.505 12.266 2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.256 9.449 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.421 9.828 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.819 12.013 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.217 9.361 0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.451 12.655 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.850 10.005 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.960 11.650 2.165 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.021 11.039 1.269 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.910 11.298 0.141 1.00 0.00 C ATOM 1459 C VAL A 95 -19.811 12.504 0.407 1.00 0.00 C ATOM 1460 O VAL A 95 -20.314 13.133 -0.525 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.789 10.070 -0.171 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.628 10.308 -1.418 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.929 8.822 -0.330 1.00 0.00 C ATOM 0 H VAL A 95 -18.313 10.265 1.866 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.275 11.511 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.467 9.914 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.240 9.428 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.274 11.172 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.972 10.495 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.567 7.966 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.223 8.968 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.381 8.638 0.594 1.00 0.00 H new ATOM 1473 N SER A 96 -20.021 12.813 1.684 1.00 0.00 N ATOM 1474 CA SER A 96 -20.873 13.932 2.077 1.00 0.00 C ATOM 1475 C SER A 96 -20.373 15.253 1.496 1.00 0.00 C ATOM 1476 O SER A 96 -21.166 16.091 1.066 1.00 0.00 O ATOM 1477 CB SER A 96 -20.940 14.027 3.604 1.00 0.00 C ATOM 1478 OG SER A 96 -22.267 13.853 4.069 1.00 0.00 O ATOM 0 H SER A 96 -19.611 12.302 2.466 1.00 0.00 H new ATOM 0 HA SER A 96 -21.870 13.747 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.294 13.269 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.562 14.997 3.928 1.00 0.00 H new ATOM 0 HG SER A 96 -22.282 13.916 5.047 1.00 0.00 H new ATOM 1484 N GLY A 97 -19.059 15.435 1.495 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.490 16.661 0.971 1.00 0.00 C ATOM 1486 C GLY A 97 -18.103 17.643 2.065 1.00 0.00 C ATOM 1487 O GLY A 97 -17.468 18.662 1.792 1.00 0.00 O ATOM 0 H GLY A 97 -18.380 14.759 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.609 16.422 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -19.209 17.134 0.302 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.498 17.346 3.301 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.202 18.222 4.430 1.00 0.00 C ATOM 1493 C VAL A 98 -17.239 17.570 5.424 1.00 0.00 C ATOM 1494 O VAL A 98 -16.700 18.242 6.305 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.494 18.611 5.172 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.219 19.680 6.219 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.550 19.083 4.183 1.00 0.00 C ATOM 0 H VAL A 98 -19.023 16.506 3.545 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.727 19.113 4.018 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.873 17.728 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.147 19.937 6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.499 19.302 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.813 20.568 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.458 19.355 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.177 19.951 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.772 18.282 3.478 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.030 16.264 5.291 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.139 15.565 6.201 1.00 0.00 C ATOM 1509 C GLY A 99 -14.862 15.077 5.540 1.00 0.00 C ATOM 1510 O GLY A 99 -14.095 14.331 6.149 1.00 0.00 O ATOM 0 H GLY A 99 -17.459 15.679 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.881 16.229 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.666 14.713 6.630 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.626 15.490 4.299 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.425 15.073 3.583 1.00 0.00 C ATOM 1516 C ILE A 100 -12.174 15.647 4.227 1.00 0.00 C ATOM 1517 O ILE A 100 -11.216 14.926 4.492 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.452 15.520 2.111 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.732 15.057 1.428 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.232 14.987 1.373 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -15.103 15.910 0.238 1.00 0.00 C ATOM 0 H ILE A 100 -15.244 16.107 3.772 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.405 13.984 3.631 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.427 16.609 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.612 14.023 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.549 15.073 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.265 15.312 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.326 15.369 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.230 13.898 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.023 15.532 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.253 16.940 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.301 15.874 -0.500 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.187 16.951 4.460 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.045 17.630 5.057 1.00 0.00 C ATOM 1535 C GLU A 101 -10.704 17.031 6.417 1.00 0.00 C ATOM 1536 O GLU A 101 -9.544 16.735 6.700 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.333 19.126 5.194 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.628 19.979 4.150 1.00 0.00 C ATOM 1539 CD GLU A 101 -9.220 20.358 4.562 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -8.321 19.494 4.471 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -9.014 21.519 4.972 1.00 0.00 O ATOM 0 H GLU A 101 -12.976 17.561 4.245 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.186 17.493 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.408 19.289 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.029 19.457 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.593 19.436 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.208 20.885 3.975 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.721 16.855 7.251 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.527 16.290 8.579 1.00 0.00 C ATOM 1550 C ALA A 102 -11.018 14.854 8.498 1.00 0.00 C ATOM 1551 O ALA A 102 -10.057 14.488 9.176 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.823 16.354 9.372 1.00 0.00 C ATOM 0 H ALA A 102 -12.688 17.095 7.031 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.771 16.883 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.665 15.928 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.139 17.393 9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.596 15.787 8.853 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.663 14.045 7.663 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.266 12.652 7.500 1.00 0.00 C ATOM 1560 C LEU A 103 -9.933 12.548 6.766 1.00 0.00 C ATOM 1561 O LEU A 103 -9.164 11.612 6.988 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.341 11.868 6.743 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.353 10.361 7.018 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.317 10.034 8.148 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.721 9.585 5.762 1.00 0.00 C ATOM 0 H LEU A 103 -12.459 14.329 7.092 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.150 12.220 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.318 12.277 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.201 12.027 5.674 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.350 10.062 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.313 8.959 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.007 10.557 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.323 10.351 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.723 8.517 5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.712 9.888 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.992 9.793 4.979 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.663 13.513 5.890 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.419 13.528 5.123 1.00 0.00 C ATOM 1579 C GLN A 104 -7.211 13.533 6.053 1.00 0.00 C ATOM 1580 O GLN A 104 -6.304 12.715 5.916 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.379 14.749 4.202 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.159 14.790 3.297 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.230 15.944 3.621 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.082 15.741 4.015 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -6.723 17.166 3.458 1.00 0.00 N ATOM 0 H GLN A 104 -10.288 14.295 5.693 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.382 12.624 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.278 14.758 3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.400 15.653 4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.612 13.852 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.484 14.870 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.681 17.290 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.144 17.981 3.662 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.193 14.468 6.994 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.087 14.571 7.934 1.00 0.00 C ATOM 1596 C ASN A 105 -5.984 13.311 8.789 1.00 0.00 C ATOM 1597 O ASN A 105 -4.889 12.807 9.040 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.268 15.804 8.826 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.302 16.925 8.483 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.852 17.660 9.363 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -4.979 17.068 7.200 1.00 0.00 N ATOM 0 H ASN A 105 -7.928 15.162 7.126 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.162 14.676 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.290 16.169 8.730 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.129 15.517 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.337 17.807 6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.374 16.438 6.501 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.131 12.807 9.234 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.163 11.608 10.061 1.00 0.00 C ATOM 1610 C LYS A 106 -6.683 10.390 9.285 1.00 0.00 C ATOM 1611 O LYS A 106 -5.837 9.636 9.763 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.573 11.355 10.591 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.006 12.334 11.666 1.00 0.00 C ATOM 1614 CD LYS A 106 -10.515 12.492 11.691 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.965 13.401 12.820 1.00 0.00 C ATOM 1616 NZ LYS A 106 -12.448 13.446 12.938 1.00 0.00 N ATOM 0 H LYS A 106 -8.047 13.209 9.036 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.489 11.773 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.278 11.405 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.625 10.343 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.658 11.987 12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.539 13.303 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.854 12.899 10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.982 11.513 11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.536 13.052 13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.584 14.408 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.715 14.077 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.856 13.803 12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.810 12.490 13.126 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.222 10.199 8.087 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.833 9.063 7.263 1.00 0.00 C ATOM 1632 C ILE A 107 -5.356 9.138 6.894 1.00 0.00 C ATOM 1633 O ILE A 107 -4.697 8.115 6.755 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.684 8.960 5.979 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.566 10.236 5.152 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -9.140 8.689 6.326 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -7.031 10.004 3.759 1.00 0.00 C ATOM 0 H ILE A 107 -7.923 10.810 7.668 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.010 8.168 7.859 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.307 8.128 5.385 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.547 10.706 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.913 10.937 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.726 8.619 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.214 7.751 6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.525 9.502 6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.974 10.954 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.036 9.562 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -7.696 9.328 3.222 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.835 10.351 6.747 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.429 10.533 6.401 1.00 0.00 C ATOM 1651 C LEU A 108 -2.526 10.088 7.545 1.00 0.00 C ATOM 1652 O LEU A 108 -1.565 9.350 7.336 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.146 11.997 6.057 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.072 12.307 4.561 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.868 13.798 4.327 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -1.961 11.505 3.899 1.00 0.00 C ATOM 0 H LEU A 108 -5.360 11.218 6.861 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.216 9.915 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.924 12.616 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.203 12.288 6.520 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.020 12.017 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.818 13.995 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.701 14.352 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.938 14.116 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.926 11.741 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.006 11.759 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.154 10.440 4.028 1.00 0.00 H new ATOM 1668 N THR A 109 -2.843 10.545 8.754 1.00 0.00 N ATOM 1669 CA THR A 109 -2.056 10.198 9.938 1.00 0.00 C ATOM 1670 C THR A 109 -2.003 8.687 10.141 1.00 0.00 C ATOM 1671 O THR A 109 -0.967 8.141 10.519 1.00 0.00 O ATOM 1672 CB THR A 109 -2.602 10.868 11.215 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.980 11.211 11.115 1.00 0.00 O ATOM 1674 CG2 THR A 109 -1.839 12.119 11.597 1.00 0.00 C ATOM 0 H THR A 109 -3.638 11.156 8.941 1.00 0.00 H new ATOM 0 HA THR A 109 -1.048 10.573 9.759 1.00 0.00 H new ATOM 0 HB THR A 109 -2.470 10.111 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.463 10.494 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.270 12.545 12.503 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.794 11.867 11.776 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.904 12.846 10.788 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.126 8.016 9.900 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.199 6.569 10.069 1.00 0.00 C ATOM 1684 C ILE A 110 -2.335 5.843 9.040 1.00 0.00 C ATOM 1685 O ILE A 110 -1.526 4.985 9.394 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.652 6.061 9.962 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.553 6.814 10.944 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.718 4.564 10.229 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.032 6.592 10.704 1.00 0.00 C ATOM 0 H ILE A 110 -3.995 8.450 9.588 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.820 6.351 11.068 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.006 6.247 8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.308 6.504 11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.339 7.881 10.876 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.751 4.225 10.149 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.105 4.037 9.498 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.345 4.357 11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.608 7.156 11.437 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.292 6.929 9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.261 5.531 10.801 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.512 6.182 7.767 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.748 5.546 6.698 1.00 0.00 C ATOM 1703 C LEU A 111 -0.249 5.764 6.888 1.00 0.00 C ATOM 1704 O LEU A 111 0.560 4.894 6.565 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.186 6.074 5.329 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.692 6.013 5.063 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.050 6.814 3.819 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.155 4.571 4.923 1.00 0.00 C ATOM 0 H LEU A 111 -3.174 6.890 7.451 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.948 4.475 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.857 7.109 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.672 5.504 4.555 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.207 6.456 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.125 6.758 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.759 7.855 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.523 6.403 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.228 4.550 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.631 4.100 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.938 4.028 5.843 1.00 0.00 H new ATOM 1720 N GLN A 112 0.118 6.927 7.419 1.00 0.00 N ATOM 1721 CA GLN A 112 1.524 7.246 7.652 1.00 0.00 C ATOM 1722 C GLN A 112 2.023 6.588 8.934 1.00 0.00 C ATOM 1723 O GLN A 112 3.193 6.221 9.041 1.00 0.00 O ATOM 1724 CB GLN A 112 1.725 8.761 7.736 1.00 0.00 C ATOM 1725 CG GLN A 112 1.038 9.400 8.931 1.00 0.00 C ATOM 1726 CD GLN A 112 1.596 10.768 9.273 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.735 11.118 10.445 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.918 11.552 8.249 1.00 0.00 N ATOM 0 H GLN A 112 -0.534 7.661 7.695 1.00 0.00 H new ATOM 0 HA GLN A 112 2.100 6.858 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.793 8.975 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.348 9.220 6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.029 9.490 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.141 8.745 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.786 11.222 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.297 12.484 8.419 1.00 0.00 H new ATOM 1737 N GLY A 113 1.128 6.446 9.907 1.00 0.00 N ATOM 1738 CA GLY A 113 1.493 5.837 11.172 1.00 0.00 C ATOM 1739 C GLY A 113 1.268 6.768 12.347 1.00 0.00 C ATOM 1740 O GLY A 113 2.219 7.482 12.730 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.140 6.786 12.882 1.00 0.00 O ATOM 0 H GLY A 113 0.154 6.743 9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.910 4.927 11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.542 5.542 11.141 1.00 0.00 H new