USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 661 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 65 ASN : amide:sc= 0.0399 K(o=0.18,f=-0.9) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.141 X(o=0.18,f=-0.11) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.0121 K(o=-1.7,f=-3) USER MOD Set 2.2: A 106 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-2.3) USER MOD Single : A 24 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.17) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 32:sc= 0.261 USER MOD Single : A 40 THR OG1 : rot 160:sc= 0 USER MOD Single : A 41 THR OG1 : rot -39:sc= -0.814 USER MOD Single : A 43 GLN : amide:sc= -1.25 K(o=-1.3,f=-1.8) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00412 X(o=-0.0041,f=-0.12) USER MOD Single : A 81 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.14) USER MOD Single : A 84 GLN : amide:sc= -0.582 K(o=-0.58,f=-3.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 138:sc= -0.245 (180deg=-4.57!) USER MOD Single : A 94 SER OG : rot 97:sc= 0.992 USER MOD Single : A 95 GLN : amide:sc= -0.267 K(o=-0.27,f=1) USER MOD Single : A 99 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.55 K(o=-1.6,f=-8.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.194 -5.811 8.787 1.00 0.00 N ATOM 326 CA ASN A 24 -4.453 -4.745 8.122 1.00 0.00 C ATOM 327 C ASN A 24 -3.565 -5.307 7.015 1.00 0.00 C ATOM 328 O ASN A 24 -2.782 -6.230 7.242 1.00 0.00 O ATOM 329 CB ASN A 24 -3.600 -3.981 9.138 1.00 0.00 C ATOM 330 CG ASN A 24 -2.415 -4.792 9.625 1.00 0.00 C ATOM 331 OD1 ASN A 24 -2.581 -5.858 10.219 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.211 -4.291 9.376 1.00 0.00 N ATOM 0 HA ASN A 24 -5.173 -4.061 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.242 -3.056 8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.219 -3.700 9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.377 -4.793 9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.120 -3.404 8.880 1.00 0.00 H new ATOM 339 N TYR A 25 -3.692 -4.744 5.820 1.00 0.00 N ATOM 340 CA TYR A 25 -2.902 -5.190 4.677 1.00 0.00 C ATOM 341 C TYR A 25 -1.674 -4.305 4.486 1.00 0.00 C ATOM 342 O TYR A 25 -0.687 -4.719 3.877 1.00 0.00 O ATOM 343 CB TYR A 25 -3.755 -5.181 3.408 1.00 0.00 C ATOM 344 CG TYR A 25 -4.129 -6.562 2.921 1.00 0.00 C ATOM 345 CD1 TYR A 25 -3.263 -7.298 2.124 1.00 0.00 C ATOM 346 CD2 TYR A 25 -5.352 -7.130 3.257 1.00 0.00 C ATOM 347 CE1 TYR A 25 -3.602 -8.560 1.676 1.00 0.00 C ATOM 348 CE2 TYR A 25 -5.699 -8.391 2.815 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.820 -9.103 2.024 1.00 0.00 C ATOM 350 OH TYR A 25 -5.163 -10.360 1.580 1.00 0.00 O ATOM 0 H TYR A 25 -4.334 -3.978 5.616 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.566 -6.208 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.666 -4.612 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.212 -4.661 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.307 -6.877 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.043 -6.575 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.916 -9.118 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.653 -8.818 3.087 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.053 -10.594 1.916 1.00 0.00 H new ATOM 360 N ILE A 26 -1.743 -3.086 5.010 1.00 0.00 N ATOM 361 CA ILE A 26 -0.637 -2.143 4.899 1.00 0.00 C ATOM 362 C ILE A 26 -0.606 -1.189 6.088 1.00 0.00 C ATOM 363 O ILE A 26 -1.580 -0.484 6.358 1.00 0.00 O ATOM 364 CB ILE A 26 -0.727 -1.321 3.598 1.00 0.00 C ATOM 365 CG1 ILE A 26 -2.160 -0.835 3.375 1.00 0.00 C ATOM 366 CG2 ILE A 26 -0.252 -2.151 2.414 1.00 0.00 C ATOM 367 CD1 ILE A 26 -2.242 0.477 2.626 1.00 0.00 C ATOM 0 H ILE A 26 -2.553 -2.728 5.516 1.00 0.00 H new ATOM 0 HA ILE A 26 0.280 -2.732 4.885 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.078 -0.450 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.711 -1.595 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.652 -0.724 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.321 -1.557 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.783 -2.452 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.877 -3.038 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.287 0.761 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.719 1.250 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.779 0.366 1.646 1.00 0.00 H new ATOM 379 N HIS A 27 0.519 -1.171 6.794 1.00 0.00 N ATOM 380 CA HIS A 27 0.679 -0.302 7.955 1.00 0.00 C ATOM 381 C HIS A 27 1.452 0.961 7.586 1.00 0.00 C ATOM 382 O HIS A 27 2.455 0.901 6.872 1.00 0.00 O ATOM 383 CB HIS A 27 1.400 -1.044 9.081 1.00 0.00 C ATOM 384 CG HIS A 27 1.677 -0.190 10.280 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.680 0.343 11.070 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.846 0.219 10.823 1.00 0.00 C ATOM 387 CE1 HIS A 27 1.227 1.046 12.047 1.00 0.00 C ATOM 388 NE2 HIS A 27 2.539 0.986 11.921 1.00 0.00 N ATOM 0 H HIS A 27 1.333 -1.748 6.583 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.314 -0.012 8.299 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.797 -1.899 9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.342 -1.438 8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.837 -0.014 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.691 1.579 12.818 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.215 1.436 12.538 1.00 0.00 H new ATOM 396 N ILE A 28 0.980 2.103 8.074 1.00 0.00 N ATOM 397 CA ILE A 28 1.627 3.379 7.794 1.00 0.00 C ATOM 398 C ILE A 28 1.558 4.307 9.003 1.00 0.00 C ATOM 399 O ILE A 28 0.482 4.775 9.377 1.00 0.00 O ATOM 400 CB ILE A 28 0.987 4.082 6.584 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.477 3.048 5.578 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.987 5.021 5.926 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.096 3.662 4.319 1.00 0.00 C ATOM 0 H ILE A 28 0.152 2.171 8.665 1.00 0.00 H new ATOM 0 HA ILE A 28 2.670 3.160 7.566 1.00 0.00 H new ATOM 0 HB ILE A 28 0.139 4.672 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.296 2.381 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.288 2.436 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.519 5.510 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.307 5.775 6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.853 4.452 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.438 2.871 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.936 4.306 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.673 4.251 3.819 1.00 0.00 H new ATOM 415 N ARG A 29 2.710 4.570 9.609 1.00 0.00 N ATOM 416 CA ARG A 29 2.781 5.442 10.774 1.00 0.00 C ATOM 417 C ARG A 29 3.615 6.685 10.474 1.00 0.00 C ATOM 418 O ARG A 29 4.842 6.656 10.559 1.00 0.00 O ATOM 419 CB ARG A 29 3.377 4.691 11.966 1.00 0.00 C ATOM 420 CG ARG A 29 3.690 5.585 13.155 1.00 0.00 C ATOM 421 CD ARG A 29 3.714 4.794 14.454 1.00 0.00 C ATOM 422 NE ARG A 29 3.293 5.604 15.595 1.00 0.00 N ATOM 423 CZ ARG A 29 3.527 5.270 16.859 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.174 4.148 17.143 1.00 0.00 N ATOM 425 NH2 ARG A 29 3.114 6.060 17.843 1.00 0.00 N ATOM 0 H ARG A 29 3.609 4.191 9.312 1.00 0.00 H new ATOM 0 HA ARG A 29 1.767 5.757 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.680 3.914 12.280 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.291 4.190 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.655 6.069 13.004 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.944 6.377 13.223 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.059 3.927 14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.721 4.416 14.630 1.00 0.00 H new ATOM 0 HE ARG A 29 2.792 6.473 15.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.493 3.539 16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.352 3.894 18.115 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.617 6.924 17.629 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.294 5.803 18.813 1.00 0.00 H new ATOM 439 N ILE A 30 2.938 7.774 10.122 1.00 0.00 N ATOM 440 CA ILE A 30 3.616 9.026 9.809 1.00 0.00 C ATOM 441 C ILE A 30 3.881 9.837 11.072 1.00 0.00 C ATOM 442 O ILE A 30 3.093 9.810 12.016 1.00 0.00 O ATOM 443 CB ILE A 30 2.794 9.881 8.827 1.00 0.00 C ATOM 444 CG1 ILE A 30 1.454 10.268 9.452 1.00 0.00 C ATOM 445 CG2 ILE A 30 2.579 9.129 7.521 1.00 0.00 C ATOM 446 CD1 ILE A 30 1.299 11.756 9.680 1.00 0.00 C ATOM 0 H ILE A 30 1.922 7.814 10.047 1.00 0.00 H new ATOM 0 HA ILE A 30 4.565 8.763 9.342 1.00 0.00 H new ATOM 0 HB ILE A 30 3.349 10.794 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.648 9.922 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.344 9.750 10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.996 9.746 6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.544 8.900 7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.042 8.201 7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.325 11.956 10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.084 12.105 10.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.377 12.280 8.727 1.00 0.00 H new ATOM 583 N THR A 38 10.453 15.555 8.266 1.00 0.00 N ATOM 584 CA THR A 38 9.285 14.733 7.978 1.00 0.00 C ATOM 585 C THR A 38 9.686 13.292 7.684 1.00 0.00 C ATOM 586 O THR A 38 10.425 13.022 6.735 1.00 0.00 O ATOM 587 CB THR A 38 8.488 15.286 6.782 1.00 0.00 C ATOM 588 OG1 THR A 38 8.349 16.706 6.901 1.00 0.00 O ATOM 589 CG2 THR A 38 7.113 14.642 6.702 1.00 0.00 C ATOM 0 HA THR A 38 8.655 14.758 8.867 1.00 0.00 H new ATOM 0 HB THR A 38 9.035 15.050 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.135 17.075 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.570 15.049 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.222 13.564 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.560 14.850 7.618 1.00 0.00 H new ATOM 597 N LEU A 39 9.196 12.367 8.502 1.00 0.00 N ATOM 598 CA LEU A 39 9.503 10.951 8.328 1.00 0.00 C ATOM 599 C LEU A 39 8.225 10.118 8.279 1.00 0.00 C ATOM 600 O LEU A 39 7.185 10.529 8.793 1.00 0.00 O ATOM 601 CB LEU A 39 10.402 10.460 9.465 1.00 0.00 C ATOM 602 CG LEU A 39 11.899 10.712 9.292 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.298 12.029 9.941 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.705 9.562 9.879 1.00 0.00 C ATOM 0 H LEU A 39 8.585 12.572 9.292 1.00 0.00 H new ATOM 0 HA LEU A 39 10.028 10.833 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.078 10.937 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.246 9.388 9.588 1.00 0.00 H new ATOM 0 HG LEU A 39 12.116 10.775 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.368 12.191 9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.746 12.846 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.066 11.995 11.006 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.769 9.759 9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.483 9.467 10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.441 8.635 9.369 1.00 0.00 H new ATOM 616 N THR A 40 8.312 8.945 7.659 1.00 0.00 N ATOM 617 CA THR A 40 7.165 8.055 7.544 1.00 0.00 C ATOM 618 C THR A 40 7.600 6.595 7.554 1.00 0.00 C ATOM 619 O THR A 40 8.533 6.208 6.848 1.00 0.00 O ATOM 620 CB THR A 40 6.366 8.332 6.257 1.00 0.00 C ATOM 621 OG1 THR A 40 5.887 9.682 6.259 1.00 0.00 O ATOM 622 CG2 THR A 40 5.193 7.373 6.131 1.00 0.00 C ATOM 0 H THR A 40 9.166 8.590 7.229 1.00 0.00 H new ATOM 0 HA THR A 40 6.527 8.247 8.407 1.00 0.00 H new ATOM 0 HB THR A 40 7.029 8.183 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.670 9.954 5.343 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.644 7.588 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.563 6.348 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.530 7.494 6.988 1.00 0.00 H new ATOM 630 N THR A 41 6.918 5.783 8.357 1.00 0.00 N ATOM 631 CA THR A 41 7.235 4.365 8.460 1.00 0.00 C ATOM 632 C THR A 41 6.166 3.513 7.785 1.00 0.00 C ATOM 633 O THR A 41 5.016 3.932 7.651 1.00 0.00 O ATOM 634 CB THR A 41 7.373 3.923 9.928 1.00 0.00 C ATOM 635 OG1 THR A 41 6.371 4.560 10.728 1.00 0.00 O ATOM 636 CG2 THR A 41 8.754 4.269 10.469 1.00 0.00 C ATOM 0 H THR A 41 6.142 6.085 8.946 1.00 0.00 H new ATOM 0 HA THR A 41 8.189 4.218 7.954 1.00 0.00 H new ATOM 0 HB THR A 41 7.241 2.842 9.973 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.248 5.484 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.829 3.948 11.508 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.515 3.761 9.876 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.908 5.346 10.411 1.00 0.00 H new ATOM 644 N VAL A 42 6.552 2.315 7.358 1.00 0.00 N ATOM 645 CA VAL A 42 5.624 1.403 6.699 1.00 0.00 C ATOM 646 C VAL A 42 5.991 -0.051 6.979 1.00 0.00 C ATOM 647 O VAL A 42 7.168 -0.397 7.078 1.00 0.00 O ATOM 648 CB VAL A 42 5.603 1.630 5.175 1.00 0.00 C ATOM 649 CG1 VAL A 42 6.996 1.465 4.590 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.620 0.680 4.510 1.00 0.00 C ATOM 0 H VAL A 42 7.501 1.953 7.456 1.00 0.00 H new ATOM 0 HA VAL A 42 4.634 1.610 7.105 1.00 0.00 H new ATOM 0 HB VAL A 42 5.274 2.651 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.960 1.629 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.670 2.190 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.358 0.457 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.618 0.854 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.916 -0.350 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.620 0.854 4.908 1.00 0.00 H new ATOM 660 N GLN A 43 4.974 -0.897 7.106 1.00 0.00 N ATOM 661 CA GLN A 43 5.189 -2.314 7.375 1.00 0.00 C ATOM 662 C GLN A 43 4.204 -3.173 6.588 1.00 0.00 C ATOM 663 O GLN A 43 3.206 -2.675 6.071 1.00 0.00 O ATOM 664 CB GLN A 43 5.048 -2.598 8.873 1.00 0.00 C ATOM 665 CG GLN A 43 5.648 -3.927 9.298 1.00 0.00 C ATOM 666 CD GLN A 43 4.611 -5.028 9.402 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.496 -4.804 9.876 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.974 -6.227 8.963 1.00 0.00 N ATOM 0 H GLN A 43 3.994 -0.626 7.027 1.00 0.00 H new ATOM 0 HA GLN A 43 6.200 -2.569 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.528 -1.796 9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.991 -2.584 9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.414 -4.221 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.143 -3.807 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.908 -6.368 8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.319 -7.007 9.011 1.00 0.00 H new ATOM 677 N GLY A 44 4.494 -4.468 6.502 1.00 0.00 N ATOM 678 CA GLY A 44 3.625 -5.376 5.776 1.00 0.00 C ATOM 679 C GLY A 44 4.200 -5.777 4.433 1.00 0.00 C ATOM 680 O GLY A 44 3.516 -6.396 3.617 1.00 0.00 O ATOM 0 H GLY A 44 5.315 -4.904 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.455 -6.270 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.654 -4.903 5.626 1.00 0.00 H new ATOM 684 N VAL A 45 5.460 -5.425 4.200 1.00 0.00 N ATOM 685 CA VAL A 45 6.126 -5.752 2.945 1.00 0.00 C ATOM 686 C VAL A 45 6.205 -7.260 2.742 1.00 0.00 C ATOM 687 O VAL A 45 6.574 -8.014 3.643 1.00 0.00 O ATOM 688 CB VAL A 45 7.549 -5.163 2.894 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.213 -5.486 1.565 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.511 -3.660 3.131 1.00 0.00 C ATOM 0 H VAL A 45 6.041 -4.913 4.864 1.00 0.00 H new ATOM 0 HA VAL A 45 5.530 -5.311 2.146 1.00 0.00 H new ATOM 0 HB VAL A 45 8.142 -5.618 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.217 -5.062 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.274 -6.567 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.625 -5.061 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.524 -3.260 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.903 -3.185 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.078 -3.457 4.111 1.00 0.00 H new ATOM 700 N PRO A 46 5.853 -7.715 1.530 1.00 0.00 N ATOM 701 CA PRO A 46 5.877 -9.137 1.179 1.00 0.00 C ATOM 702 C PRO A 46 7.296 -9.687 1.080 1.00 0.00 C ATOM 703 O PRO A 46 8.266 -8.968 1.320 1.00 0.00 O ATOM 704 CB PRO A 46 5.191 -9.177 -0.188 1.00 0.00 C ATOM 705 CG PRO A 46 5.407 -7.819 -0.760 1.00 0.00 C ATOM 706 CD PRO A 46 5.405 -6.872 0.408 1.00 0.00 C ATOM 0 HA PRO A 46 5.387 -9.751 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.623 -9.948 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.129 -9.402 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.352 -7.769 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.620 -7.565 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.078 -6.030 0.244 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.413 -6.457 0.588 1.00 0.00 H new ATOM 714 N GLU A 47 7.408 -10.962 0.724 1.00 0.00 N ATOM 715 CA GLU A 47 8.710 -11.606 0.593 1.00 0.00 C ATOM 716 C GLU A 47 9.364 -11.247 -0.738 1.00 0.00 C ATOM 717 O GLU A 47 10.589 -11.172 -0.840 1.00 0.00 O ATOM 718 CB GLU A 47 8.566 -13.125 0.710 1.00 0.00 C ATOM 719 CG GLU A 47 9.784 -13.806 1.314 1.00 0.00 C ATOM 720 CD GLU A 47 9.728 -13.867 2.828 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.839 -13.214 3.415 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.573 -14.566 3.426 1.00 0.00 O ATOM 0 H GLU A 47 6.614 -11.569 0.521 1.00 0.00 H new ATOM 0 HA GLU A 47 9.348 -11.245 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.692 -13.353 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.381 -13.542 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.864 -14.818 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.683 -13.271 1.009 1.00 0.00 H new ATOM 729 N GLU A 48 8.538 -11.027 -1.756 1.00 0.00 N ATOM 730 CA GLU A 48 9.035 -10.678 -3.081 1.00 0.00 C ATOM 731 C GLU A 48 9.783 -9.349 -3.049 1.00 0.00 C ATOM 732 O GLU A 48 10.517 -9.013 -3.979 1.00 0.00 O ATOM 733 CB GLU A 48 7.878 -10.601 -4.080 1.00 0.00 C ATOM 734 CG GLU A 48 8.136 -11.363 -5.369 1.00 0.00 C ATOM 735 CD GLU A 48 7.144 -11.014 -6.461 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.064 -11.640 -6.505 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.446 -10.113 -7.272 1.00 0.00 O ATOM 0 H GLU A 48 7.522 -11.084 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 48 9.728 -11.457 -3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.976 -10.994 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.684 -9.555 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.146 -11.148 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.089 -12.434 -5.169 1.00 0.00 H new ATOM 744 N TYR A 49 9.594 -8.596 -1.970 1.00 0.00 N ATOM 745 CA TYR A 49 10.247 -7.302 -1.817 1.00 0.00 C ATOM 746 C TYR A 49 11.008 -7.230 -0.497 1.00 0.00 C ATOM 747 O TYR A 49 10.412 -7.070 0.569 1.00 0.00 O ATOM 748 CB TYR A 49 9.216 -6.174 -1.887 1.00 0.00 C ATOM 749 CG TYR A 49 9.678 -4.980 -2.691 1.00 0.00 C ATOM 750 CD1 TYR A 49 11.004 -4.568 -2.659 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.789 -4.264 -3.483 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.431 -3.476 -3.392 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.206 -3.173 -4.219 1.00 0.00 C ATOM 754 CZ TYR A 49 10.528 -2.782 -4.170 1.00 0.00 C ATOM 755 OH TYR A 49 10.949 -1.696 -4.902 1.00 0.00 O ATOM 0 H TYR A 49 8.994 -8.860 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 49 10.959 -7.184 -2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.295 -6.561 -2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.976 -5.849 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.714 -5.110 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.753 -4.566 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.466 -3.168 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.501 -2.629 -4.830 1.00 0.00 H new ATOM 0 HH TYR A 49 10.190 -1.320 -5.396 1.00 0.00 H new ATOM 765 N ASP A 50 12.329 -7.347 -0.577 1.00 0.00 N ATOM 766 CA ASP A 50 13.174 -7.294 0.612 1.00 0.00 C ATOM 767 C ASP A 50 13.556 -5.855 0.942 1.00 0.00 C ATOM 768 O ASP A 50 13.318 -4.940 0.152 1.00 0.00 O ATOM 769 CB ASP A 50 14.435 -8.136 0.405 1.00 0.00 C ATOM 770 CG ASP A 50 14.444 -9.385 1.262 1.00 0.00 C ATOM 771 OD1 ASP A 50 13.649 -10.305 0.978 1.00 0.00 O ATOM 772 OD2 ASP A 50 15.245 -9.443 2.219 1.00 0.00 O ATOM 0 H ASP A 50 12.838 -7.479 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 50 12.608 -7.702 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.511 -8.419 -0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.313 -7.533 0.637 1.00 0.00 H new ATOM 777 N LEU A 51 14.149 -5.660 2.114 1.00 0.00 N ATOM 778 CA LEU A 51 14.563 -4.330 2.552 1.00 0.00 C ATOM 779 C LEU A 51 15.746 -3.832 1.727 1.00 0.00 C ATOM 780 O LEU A 51 15.986 -2.628 1.631 1.00 0.00 O ATOM 781 CB LEU A 51 14.933 -4.352 4.036 1.00 0.00 C ATOM 782 CG LEU A 51 13.925 -3.706 4.987 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.922 -2.195 4.815 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.533 -4.275 4.757 1.00 0.00 C ATOM 0 H LEU A 51 14.355 -6.406 2.779 1.00 0.00 H new ATOM 0 HA LEU A 51 13.726 -3.647 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.076 -5.389 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.892 -3.849 4.159 1.00 0.00 H new ATOM 0 HG LEU A 51 14.223 -3.934 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.199 -1.752 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.915 -1.802 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.650 -1.946 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.829 -3.803 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.225 -4.079 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.546 -5.351 4.933 1.00 0.00 H new ATOM 796 N LYS A 52 16.484 -4.766 1.135 1.00 0.00 N ATOM 797 CA LYS A 52 17.639 -4.421 0.316 1.00 0.00 C ATOM 798 C LYS A 52 17.206 -3.970 -1.076 1.00 0.00 C ATOM 799 O LYS A 52 17.831 -3.097 -1.678 1.00 0.00 O ATOM 800 CB LYS A 52 18.585 -5.620 0.204 1.00 0.00 C ATOM 801 CG LYS A 52 19.848 -5.325 -0.586 1.00 0.00 C ATOM 802 CD LYS A 52 21.091 -5.477 0.273 1.00 0.00 C ATOM 803 CE LYS A 52 21.699 -6.864 0.136 1.00 0.00 C ATOM 804 NZ LYS A 52 23.001 -6.830 -0.587 1.00 0.00 N ATOM 0 H LYS A 52 16.302 -5.767 1.208 1.00 0.00 H new ATOM 0 HA LYS A 52 18.162 -3.595 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.861 -5.949 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.056 -6.447 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.910 -6.000 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.801 -4.311 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.827 -4.726 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.838 -5.291 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.845 -7.296 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.005 -7.514 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.383 -7.795 -0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.858 -6.441 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.672 -6.230 -0.066 1.00 0.00 H new ATOM 818 N ARG A 53 16.133 -4.568 -1.579 1.00 0.00 N ATOM 819 CA ARG A 53 15.616 -4.227 -2.899 1.00 0.00 C ATOM 820 C ARG A 53 14.892 -2.884 -2.869 1.00 0.00 C ATOM 821 O ARG A 53 14.942 -2.120 -3.834 1.00 0.00 O ATOM 822 CB ARG A 53 14.667 -5.320 -3.397 1.00 0.00 C ATOM 823 CG ARG A 53 14.403 -5.261 -4.892 1.00 0.00 C ATOM 824 CD ARG A 53 15.028 -6.442 -5.616 1.00 0.00 C ATOM 825 NE ARG A 53 14.939 -6.305 -7.068 1.00 0.00 N ATOM 826 CZ ARG A 53 15.218 -7.287 -7.918 1.00 0.00 C ATOM 827 NH1 ARG A 53 15.603 -8.472 -7.463 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.113 -7.085 -9.224 1.00 0.00 N ATOM 0 H ARG A 53 15.604 -5.292 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 53 16.461 -4.150 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.087 -6.295 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.719 -5.236 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.328 -5.250 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.804 -4.332 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.074 -6.533 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.530 -7.361 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 53 14.646 -5.406 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.685 -8.631 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.817 -9.225 -8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.818 -6.175 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.328 -7.840 -9.876 1.00 0.00 H new ATOM 842 N ILE A 54 14.220 -2.605 -1.758 1.00 0.00 N ATOM 843 CA ILE A 54 13.487 -1.355 -1.603 1.00 0.00 C ATOM 844 C ILE A 54 14.420 -0.215 -1.211 1.00 0.00 C ATOM 845 O ILE A 54 14.177 0.945 -1.544 1.00 0.00 O ATOM 846 CB ILE A 54 12.376 -1.482 -0.544 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.479 -0.241 -0.562 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.981 -1.685 0.837 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.016 -0.557 -0.776 1.00 0.00 C ATOM 0 H ILE A 54 14.168 -3.228 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 54 13.033 -1.133 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 54 11.765 -2.352 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.593 0.293 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.817 0.430 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.183 -1.773 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.581 -2.595 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.613 -0.833 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.440 0.369 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.889 -1.064 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.662 -1.203 0.027 1.00 0.00 H new ATOM 861 N LEU A 55 15.491 -0.553 -0.500 1.00 0.00 N ATOM 862 CA LEU A 55 16.464 0.442 -0.063 1.00 0.00 C ATOM 863 C LEU A 55 17.399 0.828 -1.204 1.00 0.00 C ATOM 864 O LEU A 55 17.903 1.950 -1.255 1.00 0.00 O ATOM 865 CB LEU A 55 17.277 -0.095 1.118 1.00 0.00 C ATOM 866 CG LEU A 55 18.327 0.854 1.696 1.00 0.00 C ATOM 867 CD1 LEU A 55 19.604 0.801 0.873 1.00 0.00 C ATOM 868 CD2 LEU A 55 17.786 2.275 1.756 1.00 0.00 C ATOM 0 H LEU A 55 15.707 -1.508 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 55 15.919 1.332 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.585 -0.369 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.778 -1.010 0.802 1.00 0.00 H new ATOM 0 HG LEU A 55 18.560 0.533 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.340 1.483 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 20.001 -0.214 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 55 19.388 1.096 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 18.547 2.937 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.524 2.607 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.899 2.300 2.390 1.00 0.00 H new ATOM 880 N LYS A 56 17.626 -0.109 -2.119 1.00 0.00 N ATOM 881 CA LYS A 56 18.497 0.133 -3.264 1.00 0.00 C ATOM 882 C LYS A 56 17.751 0.875 -4.368 1.00 0.00 C ATOM 883 O LYS A 56 18.310 1.750 -5.029 1.00 0.00 O ATOM 884 CB LYS A 56 19.045 -1.190 -3.803 1.00 0.00 C ATOM 885 CG LYS A 56 20.245 -1.024 -4.719 1.00 0.00 C ATOM 886 CD LYS A 56 20.222 -2.034 -5.855 1.00 0.00 C ATOM 887 CE LYS A 56 21.443 -1.891 -6.750 1.00 0.00 C ATOM 888 NZ LYS A 56 22.608 -2.655 -6.225 1.00 0.00 N ATOM 0 H LYS A 56 17.219 -1.044 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 56 19.328 0.754 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.325 -1.826 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.254 -1.707 -4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 56 20.254 -0.014 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 21.163 -1.143 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.186 -3.044 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.317 -1.897 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 56 21.201 -2.242 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.709 -0.837 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.420 -2.532 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.855 -2.303 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.364 -3.664 -6.167 1.00 0.00 H new ATOM 902 N VAL A 57 16.485 0.519 -4.562 1.00 0.00 N ATOM 903 CA VAL A 57 15.661 1.152 -5.585 1.00 0.00 C ATOM 904 C VAL A 57 15.299 2.580 -5.194 1.00 0.00 C ATOM 905 O VAL A 57 15.323 3.490 -6.024 1.00 0.00 O ATOM 906 CB VAL A 57 14.367 0.356 -5.837 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.415 1.148 -6.720 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.686 -0.994 -6.460 1.00 0.00 C ATOM 0 H VAL A 57 16.008 -0.204 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 57 16.252 1.168 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 57 13.876 0.182 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.507 0.569 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.161 2.088 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.894 1.355 -7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.760 -1.543 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.200 -0.844 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.326 -1.563 -5.786 1.00 0.00 H new ATOM 918 N LEU A 58 14.962 2.770 -3.922 1.00 0.00 N ATOM 919 CA LEU A 58 14.594 4.089 -3.418 1.00 0.00 C ATOM 920 C LEU A 58 15.814 5.001 -3.335 1.00 0.00 C ATOM 921 O LEU A 58 15.748 6.179 -3.686 1.00 0.00 O ATOM 922 CB LEU A 58 13.941 3.966 -2.040 1.00 0.00 C ATOM 923 CG LEU A 58 12.447 3.639 -2.032 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.623 4.907 -2.186 1.00 0.00 C ATOM 925 CD2 LEU A 58 12.112 2.645 -3.135 1.00 0.00 C ATOM 0 H LEU A 58 14.936 2.028 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 58 13.880 4.530 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.465 3.192 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.090 4.903 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 58 12.199 3.183 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.563 4.655 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.841 5.585 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.874 5.392 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.045 2.424 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.375 3.073 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.676 1.725 -2.980 1.00 0.00 H new ATOM 937 N LYS A 59 16.929 4.448 -2.870 1.00 0.00 N ATOM 938 CA LYS A 59 18.167 5.208 -2.744 1.00 0.00 C ATOM 939 C LYS A 59 18.729 5.561 -4.117 1.00 0.00 C ATOM 940 O LYS A 59 19.357 6.606 -4.292 1.00 0.00 O ATOM 941 CB LYS A 59 19.200 4.411 -1.945 1.00 0.00 C ATOM 942 CG LYS A 59 20.480 5.182 -1.666 1.00 0.00 C ATOM 943 CD LYS A 59 21.057 4.830 -0.305 1.00 0.00 C ATOM 944 CE LYS A 59 22.572 4.710 -0.358 1.00 0.00 C ATOM 945 NZ LYS A 59 23.239 6.028 -0.168 1.00 0.00 N ATOM 0 H LYS A 59 17.001 3.475 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 59 17.945 6.134 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.757 4.104 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.446 3.500 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.214 4.963 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 59 20.278 6.252 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.776 5.595 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.628 3.890 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.909 4.018 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.870 4.287 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.271 5.904 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.937 6.681 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.975 6.420 0.758 1.00 0.00 H new ATOM 959 N LYS A 60 18.501 4.684 -5.087 1.00 0.00 N ATOM 960 CA LYS A 60 18.984 4.903 -6.446 1.00 0.00 C ATOM 961 C LYS A 60 17.995 5.746 -7.246 1.00 0.00 C ATOM 962 O LYS A 60 18.377 6.443 -8.186 1.00 0.00 O ATOM 963 CB LYS A 60 19.214 3.565 -7.150 1.00 0.00 C ATOM 964 CG LYS A 60 20.447 2.824 -6.660 1.00 0.00 C ATOM 965 CD LYS A 60 21.720 3.585 -6.980 1.00 0.00 C ATOM 966 CE LYS A 60 22.486 3.950 -5.718 1.00 0.00 C ATOM 967 NZ LYS A 60 23.441 5.069 -5.951 1.00 0.00 N ATOM 0 H LYS A 60 17.984 3.814 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 60 19.929 5.442 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.338 2.932 -7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.307 3.739 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 60 20.376 2.670 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 60 20.487 1.837 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 60 22.353 2.980 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 60 21.473 4.492 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 60 21.782 4.231 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 60 23.031 3.077 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.943 5.287 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 24.129 4.792 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 22.919 5.910 -6.269 1.00 0.00 H new ATOM 981 N ASP A 61 16.724 5.677 -6.865 1.00 0.00 N ATOM 982 CA ASP A 61 15.681 6.436 -7.546 1.00 0.00 C ATOM 983 C ASP A 61 15.816 7.927 -7.256 1.00 0.00 C ATOM 984 O ASP A 61 16.133 8.717 -8.145 1.00 0.00 O ATOM 985 CB ASP A 61 14.299 5.944 -7.113 1.00 0.00 C ATOM 986 CG ASP A 61 13.180 6.816 -7.647 1.00 0.00 C ATOM 987 OD1 ASP A 61 13.390 7.484 -8.682 1.00 0.00 O ATOM 988 OD2 ASP A 61 12.093 6.830 -7.032 1.00 0.00 O ATOM 0 H ASP A 61 16.391 5.104 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 61 15.795 6.281 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.156 4.921 -7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.250 5.921 -6.024 1.00 0.00 H new ATOM 993 N PHE A 62 15.575 8.306 -6.005 1.00 0.00 N ATOM 994 CA PHE A 62 15.668 9.703 -5.598 1.00 0.00 C ATOM 995 C PHE A 62 16.283 9.825 -4.207 1.00 0.00 C ATOM 996 O PHE A 62 15.926 10.714 -3.433 1.00 0.00 O ATOM 997 CB PHE A 62 14.284 10.356 -5.615 1.00 0.00 C ATOM 998 CG PHE A 62 13.766 10.628 -6.997 1.00 0.00 C ATOM 999 CD1 PHE A 62 14.480 11.427 -7.874 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.564 10.084 -7.422 1.00 0.00 C ATOM 1001 CE1 PHE A 62 14.007 11.679 -9.148 1.00 0.00 C ATOM 1002 CE2 PHE A 62 12.085 10.332 -8.694 1.00 0.00 C ATOM 1003 CZ PHE A 62 12.807 11.131 -9.558 1.00 0.00 C ATOM 0 H PHE A 62 15.314 7.665 -5.256 1.00 0.00 H new ATOM 0 HA PHE A 62 16.314 10.219 -6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.579 9.709 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.327 11.294 -5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.418 11.859 -7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.995 9.458 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.575 12.303 -9.822 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.147 9.901 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.434 11.327 -10.552 1.00 0.00 H new ATOM 1013 N ALA A 63 17.209 8.924 -3.894 1.00 0.00 N ATOM 1014 CA ALA A 63 17.873 8.930 -2.598 1.00 0.00 C ATOM 1015 C ALA A 63 16.860 8.992 -1.462 1.00 0.00 C ATOM 1016 O ALA A 63 16.746 10.007 -0.774 1.00 0.00 O ATOM 1017 CB ALA A 63 18.844 10.099 -2.508 1.00 0.00 C ATOM 0 H ALA A 63 17.516 8.181 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 63 18.432 7.999 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.333 10.091 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.595 10.009 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.299 11.035 -2.633 1.00 0.00 H new ATOM 1023 N CYS A 64 16.127 7.902 -1.268 1.00 0.00 N ATOM 1024 CA CYS A 64 15.120 7.834 -0.214 1.00 0.00 C ATOM 1025 C CYS A 64 15.558 6.884 0.895 1.00 0.00 C ATOM 1026 O CYS A 64 15.390 5.670 0.788 1.00 0.00 O ATOM 1027 CB CYS A 64 13.778 7.381 -0.790 1.00 0.00 C ATOM 1028 SG CYS A 64 12.475 8.629 -0.698 1.00 0.00 S ATOM 0 H CYS A 64 16.211 7.053 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 64 15.006 8.831 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.920 7.096 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.449 6.488 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 64 11.380 8.152 -1.212 1.00 0.00 H new ATOM 1034 N ASN A 65 16.124 7.444 1.960 1.00 0.00 N ATOM 1035 CA ASN A 65 16.588 6.647 3.088 1.00 0.00 C ATOM 1036 C ASN A 65 15.489 5.709 3.582 1.00 0.00 C ATOM 1037 O ASN A 65 14.563 6.132 4.271 1.00 0.00 O ATOM 1038 CB ASN A 65 17.047 7.558 4.228 1.00 0.00 C ATOM 1039 CG ASN A 65 18.402 7.157 4.779 1.00 0.00 C ATOM 1040 OD1 ASN A 65 18.801 5.996 4.692 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.116 8.119 5.351 1.00 0.00 N ATOM 0 H ASN A 65 16.272 8.448 2.064 1.00 0.00 H new ATOM 0 HA ASN A 65 17.431 6.044 2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.093 8.587 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.309 7.531 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.035 7.909 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.746 9.068 5.401 1.00 0.00 H new ATOM 1048 N GLY A 66 15.602 4.434 3.222 1.00 0.00 N ATOM 1049 CA GLY A 66 14.612 3.457 3.637 1.00 0.00 C ATOM 1050 C GLY A 66 15.217 2.326 4.443 1.00 0.00 C ATOM 1051 O GLY A 66 15.472 1.245 3.913 1.00 0.00 O ATOM 0 H GLY A 66 16.360 4.061 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.844 3.952 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.118 3.047 2.756 1.00 0.00 H new ATOM 1055 N ASN A 67 15.450 2.575 5.728 1.00 0.00 N ATOM 1056 CA ASN A 67 16.030 1.568 6.608 1.00 0.00 C ATOM 1057 C ASN A 67 14.941 0.739 7.280 1.00 0.00 C ATOM 1058 O ASN A 67 13.752 0.930 7.022 1.00 0.00 O ATOM 1059 CB ASN A 67 16.907 2.235 7.671 1.00 0.00 C ATOM 1060 CG ASN A 67 17.646 3.447 7.133 1.00 0.00 C ATOM 1061 OD1 ASN A 67 17.542 4.543 7.682 1.00 0.00 O ATOM 1062 ND2 ASN A 67 18.397 3.252 6.056 1.00 0.00 N ATOM 0 H ASN A 67 15.246 3.465 6.182 1.00 0.00 H new ATOM 0 HA ASN A 67 16.645 0.903 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.286 2.536 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.629 1.511 8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.918 4.029 5.650 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.453 2.325 5.634 1.00 0.00 H new ATOM 1069 N ILE A 68 15.355 -0.184 8.144 1.00 0.00 N ATOM 1070 CA ILE A 68 14.414 -1.042 8.853 1.00 0.00 C ATOM 1071 C ILE A 68 14.581 -0.910 10.364 1.00 0.00 C ATOM 1072 O ILE A 68 15.669 -0.603 10.854 1.00 0.00 O ATOM 1073 CB ILE A 68 14.590 -2.518 8.455 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.351 -3.326 8.852 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.837 -3.100 9.106 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.364 -4.746 8.330 1.00 0.00 C ATOM 0 H ILE A 68 16.335 -0.356 8.369 1.00 0.00 H new ATOM 0 HA ILE A 68 13.413 -0.715 8.571 1.00 0.00 H new ATOM 0 HB ILE A 68 14.709 -2.574 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.274 -3.348 9.939 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.461 -2.818 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.946 -4.144 8.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.713 -2.539 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.746 -3.034 10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.457 -5.259 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.410 -4.733 7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.235 -5.270 8.723 1.00 0.00 H new ATOM 1088 N VAL A 69 13.498 -1.145 11.096 1.00 0.00 N ATOM 1089 CA VAL A 69 13.525 -1.056 12.551 1.00 0.00 C ATOM 1090 C VAL A 69 12.680 -2.155 13.186 1.00 0.00 C ATOM 1091 O VAL A 69 11.924 -2.845 12.501 1.00 0.00 O ATOM 1092 CB VAL A 69 13.015 0.314 13.039 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.657 0.680 14.369 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.285 1.386 11.994 1.00 0.00 C ATOM 0 H VAL A 69 12.590 -1.399 10.706 1.00 0.00 H new ATOM 0 HA VAL A 69 14.564 -1.179 12.856 1.00 0.00 H new ATOM 0 HB VAL A 69 11.937 0.249 13.189 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.285 1.650 14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.407 -0.076 15.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.739 0.728 14.250 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.918 2.347 12.355 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.357 1.453 11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.773 1.128 11.067 1.00 0.00 H new ATOM 1104 N LYS A 70 12.815 -2.314 14.498 1.00 0.00 N ATOM 1105 CA LYS A 70 12.064 -3.329 15.227 1.00 0.00 C ATOM 1106 C LYS A 70 11.268 -2.703 16.367 1.00 0.00 C ATOM 1107 O LYS A 70 11.841 -2.233 17.350 1.00 0.00 O ATOM 1108 CB LYS A 70 13.011 -4.398 15.777 1.00 0.00 C ATOM 1109 CG LYS A 70 12.303 -5.501 16.542 1.00 0.00 C ATOM 1110 CD LYS A 70 13.126 -5.973 17.730 1.00 0.00 C ATOM 1111 CE LYS A 70 13.155 -7.491 17.822 1.00 0.00 C ATOM 1112 NZ LYS A 70 13.102 -7.963 19.233 1.00 0.00 N ATOM 0 H LYS A 70 13.438 -1.753 15.079 1.00 0.00 H new ATOM 0 HA LYS A 70 11.365 -3.796 14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.566 -4.840 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.740 -3.923 16.433 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.335 -5.140 16.889 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.110 -6.341 15.875 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.144 -5.594 17.642 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.710 -5.560 18.649 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.311 -7.904 17.269 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.062 -7.866 17.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.124 -9.003 19.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.920 -7.590 19.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.225 -7.627 19.679 1.00 0.00 H new ATOM 1126 N ASP A 71 9.947 -2.700 16.230 1.00 0.00 N ATOM 1127 CA ASP A 71 9.073 -2.135 17.251 1.00 0.00 C ATOM 1128 C ASP A 71 8.507 -3.229 18.150 1.00 0.00 C ATOM 1129 O ASP A 71 8.471 -4.405 17.791 1.00 0.00 O ATOM 1130 CB ASP A 71 7.932 -1.352 16.599 1.00 0.00 C ATOM 1131 CG ASP A 71 8.224 0.133 16.510 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.375 0.493 16.189 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.299 0.934 16.758 1.00 0.00 O ATOM 0 H ASP A 71 9.458 -3.083 15.421 1.00 0.00 H new ATOM 0 HA ASP A 71 9.665 -1.457 17.865 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.752 -1.744 15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.017 -1.506 17.171 1.00 0.00 H new ATOM 1138 N PRO A 72 8.056 -2.835 19.351 1.00 0.00 N ATOM 1139 CA PRO A 72 7.486 -3.767 20.327 1.00 0.00 C ATOM 1140 C PRO A 72 6.130 -4.310 19.887 1.00 0.00 C ATOM 1141 O PRO A 72 5.575 -5.204 20.521 1.00 0.00 O ATOM 1142 CB PRO A 72 7.336 -2.912 21.588 1.00 0.00 C ATOM 1143 CG PRO A 72 7.221 -1.513 21.087 1.00 0.00 C ATOM 1144 CD PRO A 72 8.070 -1.448 19.847 1.00 0.00 C ATOM 0 HA PRO A 72 8.114 -4.648 20.464 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.454 -3.201 22.160 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.196 -3.026 22.248 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.184 -1.262 20.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.568 -0.800 21.835 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.658 -0.755 19.114 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.082 -1.111 20.070 1.00 0.00 H new ATOM 1152 N GLU A 73 5.604 -3.759 18.796 1.00 0.00 N ATOM 1153 CA GLU A 73 4.313 -4.189 18.272 1.00 0.00 C ATOM 1154 C GLU A 73 4.481 -5.344 17.290 1.00 0.00 C ATOM 1155 O GLU A 73 3.618 -6.215 17.185 1.00 0.00 O ATOM 1156 CB GLU A 73 3.601 -3.021 17.586 1.00 0.00 C ATOM 1157 CG GLU A 73 2.162 -3.325 17.204 1.00 0.00 C ATOM 1158 CD GLU A 73 1.951 -3.347 15.703 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.769 -2.262 15.113 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.966 -4.450 15.116 1.00 0.00 O ATOM 0 H GLU A 73 6.051 -3.016 18.260 1.00 0.00 H new ATOM 0 HA GLU A 73 3.707 -4.533 19.110 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.617 -2.156 18.250 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.156 -2.745 16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.875 -4.290 17.622 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.506 -2.577 17.649 1.00 0.00 H new ATOM 1167 N MET A 74 5.599 -5.344 16.571 1.00 0.00 N ATOM 1168 CA MET A 74 5.881 -6.392 15.598 1.00 0.00 C ATOM 1169 C MET A 74 7.381 -6.654 15.501 1.00 0.00 C ATOM 1170 O MET A 74 7.856 -7.732 15.856 1.00 0.00 O ATOM 1171 CB MET A 74 5.332 -6.004 14.224 1.00 0.00 C ATOM 1172 CG MET A 74 4.729 -7.171 13.458 1.00 0.00 C ATOM 1173 SD MET A 74 5.743 -7.678 12.057 1.00 0.00 S ATOM 1174 CE MET A 74 5.012 -9.267 11.668 1.00 0.00 C ATOM 0 H MET A 74 6.324 -4.630 16.644 1.00 0.00 H new ATOM 0 HA MET A 74 5.390 -7.305 15.934 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.573 -5.232 14.350 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.136 -5.567 13.631 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.600 -8.017 14.134 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.737 -6.893 13.102 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.533 -9.709 10.819 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.098 -9.928 12.530 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.960 -9.132 11.418 1.00 0.00 H new ATOM 1184 N GLY A 75 8.122 -5.662 15.017 1.00 0.00 N ATOM 1185 CA GLY A 75 9.559 -5.806 14.882 1.00 0.00 C ATOM 1186 C GLY A 75 10.010 -5.803 13.435 1.00 0.00 C ATOM 1187 O GLY A 75 10.972 -6.480 13.076 1.00 0.00 O ATOM 0 H GLY A 75 7.752 -4.760 14.716 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.054 -4.994 15.415 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.874 -6.736 15.355 1.00 0.00 H new ATOM 1191 N GLU A 76 9.310 -5.040 12.601 1.00 0.00 N ATOM 1192 CA GLU A 76 9.643 -4.953 11.184 1.00 0.00 C ATOM 1193 C GLU A 76 9.163 -3.631 10.592 1.00 0.00 C ATOM 1194 O GLU A 76 8.666 -3.588 9.466 1.00 0.00 O ATOM 1195 CB GLU A 76 9.021 -6.124 10.419 1.00 0.00 C ATOM 1196 CG GLU A 76 9.984 -6.806 9.463 1.00 0.00 C ATOM 1197 CD GLU A 76 9.418 -8.087 8.882 1.00 0.00 C ATOM 1198 OE1 GLU A 76 9.457 -9.123 9.578 1.00 0.00 O ATOM 1199 OE2 GLU A 76 8.937 -8.053 7.729 1.00 0.00 O ATOM 0 H GLU A 76 8.509 -4.474 12.882 1.00 0.00 H new ATOM 0 HA GLU A 76 10.728 -5.001 11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.651 -6.859 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.159 -5.763 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.231 -6.121 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.914 -7.028 9.987 1.00 0.00 H new ATOM 1206 N ILE A 77 9.313 -2.557 11.359 1.00 0.00 N ATOM 1207 CA ILE A 77 8.895 -1.235 10.910 1.00 0.00 C ATOM 1208 C ILE A 77 9.932 -0.618 9.975 1.00 0.00 C ATOM 1209 O ILE A 77 10.979 -0.147 10.420 1.00 0.00 O ATOM 1210 CB ILE A 77 8.663 -0.285 12.099 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.601 -0.858 13.039 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.249 1.094 11.603 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.270 -1.108 12.368 1.00 0.00 C ATOM 0 H ILE A 77 9.721 -2.576 12.294 1.00 0.00 H new ATOM 0 HA ILE A 77 7.956 -1.366 10.371 1.00 0.00 H new ATOM 0 HB ILE A 77 9.597 -0.186 12.653 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.968 -1.794 13.460 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.455 -0.170 13.871 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.089 1.754 12.455 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.035 1.504 10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.326 1.012 11.029 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.567 -1.514 13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.881 -0.170 11.971 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.401 -1.820 11.553 1.00 0.00 H new ATOM 1225 N ILE A 78 9.630 -0.624 8.682 1.00 0.00 N ATOM 1226 CA ILE A 78 10.534 -0.062 7.685 1.00 0.00 C ATOM 1227 C ILE A 78 10.500 1.462 7.709 1.00 0.00 C ATOM 1228 O ILE A 78 9.535 2.078 7.258 1.00 0.00 O ATOM 1229 CB ILE A 78 10.181 -0.550 6.268 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.173 -2.079 6.219 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.169 0.011 5.254 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.786 -2.678 6.284 1.00 0.00 C ATOM 0 H ILE A 78 8.767 -1.011 8.299 1.00 0.00 H new ATOM 0 HA ILE A 78 11.537 -0.404 7.939 1.00 0.00 H new ATOM 0 HB ILE A 78 9.184 -0.191 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.659 -2.408 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.766 -2.464 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.907 -0.342 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.132 1.100 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.176 -0.323 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.857 -3.765 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.304 -2.379 7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.196 -2.322 5.439 1.00 0.00 H new ATOM 1244 N GLN A 79 11.562 2.064 8.238 1.00 0.00 N ATOM 1245 CA GLN A 79 11.653 3.517 8.318 1.00 0.00 C ATOM 1246 C GLN A 79 12.032 4.115 6.967 1.00 0.00 C ATOM 1247 O GLN A 79 13.035 3.729 6.365 1.00 0.00 O ATOM 1248 CB GLN A 79 12.680 3.925 9.377 1.00 0.00 C ATOM 1249 CG GLN A 79 12.866 5.429 9.493 1.00 0.00 C ATOM 1250 CD GLN A 79 13.120 5.878 10.919 1.00 0.00 C ATOM 1251 OE1 GLN A 79 12.337 5.583 11.822 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.220 6.592 11.130 1.00 0.00 N ATOM 0 H GLN A 79 12.369 1.569 8.617 1.00 0.00 H new ATOM 0 HA GLN A 79 10.674 3.903 8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.370 3.530 10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.639 3.466 9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.702 5.737 8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.978 5.932 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.841 6.814 10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.443 6.919 12.070 1.00 0.00 H new ATOM 1261 N LEU A 80 11.225 5.059 6.496 1.00 0.00 N ATOM 1262 CA LEU A 80 11.475 5.710 5.216 1.00 0.00 C ATOM 1263 C LEU A 80 11.421 7.228 5.357 1.00 0.00 C ATOM 1264 O LEU A 80 10.370 7.797 5.648 1.00 0.00 O ATOM 1265 CB LEU A 80 10.452 5.247 4.177 1.00 0.00 C ATOM 1266 CG LEU A 80 11.019 4.534 2.949 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.050 3.470 2.456 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.321 5.536 1.843 1.00 0.00 C ATOM 0 H LEU A 80 10.392 5.391 6.982 1.00 0.00 H new ATOM 0 HA LEU A 80 12.474 5.429 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.744 4.578 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.888 6.116 3.839 1.00 0.00 H new ATOM 0 HG LEU A 80 11.951 4.045 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.470 2.973 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.883 2.737 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.102 3.937 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.724 5.011 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.404 6.053 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.052 6.262 2.199 1.00 0.00 H new ATOM 1280 N GLN A 81 12.562 7.877 5.149 1.00 0.00 N ATOM 1281 CA GLN A 81 12.645 9.329 5.252 1.00 0.00 C ATOM 1282 C GLN A 81 12.654 9.974 3.869 1.00 0.00 C ATOM 1283 O GLN A 81 13.376 9.536 2.974 1.00 0.00 O ATOM 1284 CB GLN A 81 13.900 9.737 6.025 1.00 0.00 C ATOM 1285 CG GLN A 81 14.014 11.235 6.254 1.00 0.00 C ATOM 1286 CD GLN A 81 14.924 11.911 5.247 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.137 11.698 5.247 1.00 0.00 O ATOM 1288 NE2 GLN A 81 14.341 12.733 4.381 1.00 0.00 N ATOM 0 H GLN A 81 13.442 7.420 4.908 1.00 0.00 H new ATOM 0 HA GLN A 81 11.765 9.679 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.903 9.229 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.780 9.393 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.022 11.684 6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.392 11.417 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.332 12.880 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.902 13.217 3.680 1.00 0.00 H new ATOM 1297 N GLY A 82 11.847 11.017 3.702 1.00 0.00 N ATOM 1298 CA GLY A 82 11.778 11.705 2.426 1.00 0.00 C ATOM 1299 C GLY A 82 10.506 12.514 2.272 1.00 0.00 C ATOM 1300 O GLY A 82 9.564 12.358 3.050 1.00 0.00 O ATOM 0 H GLY A 82 11.240 11.398 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.639 12.365 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.841 10.975 1.619 1.00 0.00 H new ATOM 1304 N ASP A 83 10.478 13.385 1.269 1.00 0.00 N ATOM 1305 CA ASP A 83 9.312 14.224 1.016 1.00 0.00 C ATOM 1306 C ASP A 83 8.433 13.619 -0.071 1.00 0.00 C ATOM 1307 O ASP A 83 7.760 14.337 -0.810 1.00 0.00 O ATOM 1308 CB ASP A 83 9.750 15.633 0.610 1.00 0.00 C ATOM 1309 CG ASP A 83 10.868 15.618 -0.416 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.784 14.820 -1.371 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.826 16.406 -0.260 1.00 0.00 O ATOM 0 H ASP A 83 11.250 13.529 0.618 1.00 0.00 H new ATOM 0 HA ASP A 83 8.731 14.283 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.895 16.173 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.080 16.177 1.495 1.00 0.00 H new ATOM 1316 N GLN A 84 8.443 12.292 -0.165 1.00 0.00 N ATOM 1317 CA GLN A 84 7.648 11.590 -1.163 1.00 0.00 C ATOM 1318 C GLN A 84 6.809 10.492 -0.517 1.00 0.00 C ATOM 1319 O GLN A 84 6.724 9.378 -1.034 1.00 0.00 O ATOM 1320 CB GLN A 84 8.553 10.990 -2.240 1.00 0.00 C ATOM 1321 CG GLN A 84 9.577 11.971 -2.790 1.00 0.00 C ATOM 1322 CD GLN A 84 8.940 13.107 -3.563 1.00 0.00 C ATOM 1323 OE1 GLN A 84 7.715 13.222 -3.624 1.00 0.00 O ATOM 1324 NE2 GLN A 84 9.768 13.954 -4.162 1.00 0.00 N ATOM 0 H GLN A 84 8.994 11.683 0.439 1.00 0.00 H new ATOM 0 HA GLN A 84 6.975 12.312 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.075 10.127 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.935 10.625 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.161 12.380 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.272 11.439 -3.440 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.776 13.821 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.396 14.737 -4.699 1.00 0.00 H new ATOM 1333 N ARG A 85 6.191 10.813 0.614 1.00 0.00 N ATOM 1334 CA ARG A 85 5.362 9.853 1.331 1.00 0.00 C ATOM 1335 C ARG A 85 4.248 9.320 0.434 1.00 0.00 C ATOM 1336 O ARG A 85 4.143 8.114 0.211 1.00 0.00 O ATOM 1337 CB ARG A 85 4.757 10.501 2.578 1.00 0.00 C ATOM 1338 CG ARG A 85 3.842 9.575 3.363 1.00 0.00 C ATOM 1339 CD ARG A 85 3.020 10.341 4.388 1.00 0.00 C ATOM 1340 NE ARG A 85 2.134 11.317 3.760 1.00 0.00 N ATOM 1341 CZ ARG A 85 1.018 10.992 3.117 1.00 0.00 C ATOM 1342 NH1 ARG A 85 0.655 9.720 3.018 1.00 0.00 N ATOM 1343 NH2 ARG A 85 0.264 11.936 2.571 1.00 0.00 N ATOM 0 H ARG A 85 6.249 11.731 1.054 1.00 0.00 H new ATOM 0 HA ARG A 85 5.995 9.018 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.563 10.839 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.195 11.387 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.175 9.053 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.438 8.815 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.428 9.639 4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.689 10.852 5.081 1.00 0.00 H new ATOM 0 HE ARG A 85 2.386 12.304 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.233 8.991 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.202 9.471 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.540 12.915 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.592 11.683 2.078 1.00 0.00 H new ATOM 1357 N ALA A 86 3.422 10.226 -0.079 1.00 0.00 N ATOM 1358 CA ALA A 86 2.320 9.845 -0.953 1.00 0.00 C ATOM 1359 C ALA A 86 2.815 9.011 -2.130 1.00 0.00 C ATOM 1360 O ALA A 86 2.072 8.203 -2.688 1.00 0.00 O ATOM 1361 CB ALA A 86 1.591 11.084 -1.453 1.00 0.00 C ATOM 0 H ALA A 86 3.495 11.228 0.096 1.00 0.00 H new ATOM 0 HA ALA A 86 1.625 9.235 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.770 10.785 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.195 11.641 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.285 11.715 -2.009 1.00 0.00 H new ATOM 1367 N LYS A 87 4.074 9.211 -2.503 1.00 0.00 N ATOM 1368 CA LYS A 87 4.668 8.476 -3.613 1.00 0.00 C ATOM 1369 C LYS A 87 4.973 7.036 -3.212 1.00 0.00 C ATOM 1370 O LYS A 87 4.697 6.101 -3.963 1.00 0.00 O ATOM 1371 CB LYS A 87 5.951 9.168 -4.079 1.00 0.00 C ATOM 1372 CG LYS A 87 6.199 9.047 -5.574 1.00 0.00 C ATOM 1373 CD LYS A 87 6.999 7.800 -5.908 1.00 0.00 C ATOM 1374 CE LYS A 87 7.346 7.739 -7.387 1.00 0.00 C ATOM 1375 NZ LYS A 87 8.650 8.397 -7.677 1.00 0.00 N ATOM 0 H LYS A 87 4.703 9.876 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 87 3.950 8.462 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.902 10.224 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.799 8.742 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.245 9.020 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.734 9.929 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.915 7.785 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.427 6.915 -5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.385 6.698 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.559 8.222 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.851 8.335 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.605 9.397 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.406 7.920 -7.145 1.00 0.00 H new ATOM 1389 N VAL A 88 5.542 6.864 -2.023 1.00 0.00 N ATOM 1390 CA VAL A 88 5.880 5.539 -1.520 1.00 0.00 C ATOM 1391 C VAL A 88 4.631 4.680 -1.352 1.00 0.00 C ATOM 1392 O VAL A 88 4.681 3.459 -1.496 1.00 0.00 O ATOM 1393 CB VAL A 88 6.620 5.621 -0.173 1.00 0.00 C ATOM 1394 CG1 VAL A 88 7.018 4.232 0.303 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.839 6.523 -0.288 1.00 0.00 C ATOM 0 H VAL A 88 5.779 7.628 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 88 6.537 5.079 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 88 5.945 6.053 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.540 4.310 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.125 3.620 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.675 3.769 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.350 6.569 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.518 6.123 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.524 7.525 -0.580 1.00 0.00 H new ATOM 1405 N CYS A 89 3.513 5.327 -1.042 1.00 0.00 N ATOM 1406 CA CYS A 89 2.250 4.623 -0.853 1.00 0.00 C ATOM 1407 C CYS A 89 1.623 4.260 -2.195 1.00 0.00 C ATOM 1408 O CYS A 89 1.036 3.187 -2.347 1.00 0.00 O ATOM 1409 CB CYS A 89 1.280 5.482 -0.039 1.00 0.00 C ATOM 1410 SG CYS A 89 0.045 4.533 0.879 1.00 0.00 S ATOM 0 H CYS A 89 3.456 6.338 -0.916 1.00 0.00 H new ATOM 0 HA CYS A 89 2.454 3.702 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.851 6.090 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.768 6.169 -0.712 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.727 5.347 1.537 1.00 0.00 H new ATOM 1416 N GLU A 90 1.749 5.159 -3.165 1.00 0.00 N ATOM 1417 CA GLU A 90 1.192 4.933 -4.494 1.00 0.00 C ATOM 1418 C GLU A 90 1.979 3.857 -5.238 1.00 0.00 C ATOM 1419 O GLU A 90 1.417 3.091 -6.019 1.00 0.00 O ATOM 1420 CB GLU A 90 1.196 6.233 -5.300 1.00 0.00 C ATOM 1421 CG GLU A 90 -0.118 6.993 -5.236 1.00 0.00 C ATOM 1422 CD GLU A 90 0.013 8.426 -5.714 1.00 0.00 C ATOM 1423 OE1 GLU A 90 0.517 8.632 -6.838 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.389 9.341 -4.965 1.00 0.00 O ATOM 0 H GLU A 90 2.232 6.051 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 90 0.164 4.590 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.996 6.876 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.423 6.004 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.861 6.478 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.487 6.988 -4.210 1.00 0.00 H new ATOM 1431 N PHE A 91 3.283 3.809 -4.988 1.00 0.00 N ATOM 1432 CA PHE A 91 4.149 2.829 -5.635 1.00 0.00 C ATOM 1433 C PHE A 91 4.052 1.474 -4.939 1.00 0.00 C ATOM 1434 O PHE A 91 4.184 0.429 -5.574 1.00 0.00 O ATOM 1435 CB PHE A 91 5.600 3.315 -5.628 1.00 0.00 C ATOM 1436 CG PHE A 91 6.400 2.828 -6.802 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.304 3.456 -8.033 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.251 1.742 -6.673 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.040 3.008 -9.115 1.00 0.00 C ATOM 1440 CE2 PHE A 91 7.989 1.290 -7.750 1.00 0.00 C ATOM 1441 CZ PHE A 91 7.883 1.924 -8.974 1.00 0.00 C ATOM 0 H PHE A 91 3.763 4.436 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 91 3.817 2.713 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.610 4.405 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.081 2.984 -4.708 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.647 4.305 -8.149 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.338 1.243 -5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.955 3.506 -10.070 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.648 0.442 -7.636 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.458 1.572 -9.818 1.00 0.00 H new ATOM 1451 N MET A 92 3.822 1.504 -3.632 1.00 0.00 N ATOM 1452 CA MET A 92 3.706 0.278 -2.849 1.00 0.00 C ATOM 1453 C MET A 92 2.461 -0.506 -3.247 1.00 0.00 C ATOM 1454 O MET A 92 2.519 -1.720 -3.451 1.00 0.00 O ATOM 1455 CB MET A 92 3.663 0.604 -1.354 1.00 0.00 C ATOM 1456 CG MET A 92 5.003 0.443 -0.657 1.00 0.00 C ATOM 1457 SD MET A 92 5.127 -1.100 0.265 1.00 0.00 S ATOM 1458 CE MET A 92 6.191 -0.602 1.618 1.00 0.00 C ATOM 0 H MET A 92 3.712 2.362 -3.092 1.00 0.00 H new ATOM 0 HA MET A 92 4.582 -0.338 -3.054 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.316 1.629 -1.224 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.931 -0.043 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.801 0.483 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.157 1.281 0.023 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.821 -1.031 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.205 -0.956 1.433 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.195 0.485 1.696 1.00 0.00 H new ATOM 1468 N ILE A 93 1.337 0.192 -3.355 1.00 0.00 N ATOM 1469 CA ILE A 93 0.076 -0.439 -3.729 1.00 0.00 C ATOM 1470 C ILE A 93 0.056 -0.785 -5.215 1.00 0.00 C ATOM 1471 O ILE A 93 -0.397 -1.860 -5.606 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.126 0.468 -3.408 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.093 0.894 -1.940 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.429 -0.247 -3.730 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.130 1.938 -1.590 1.00 0.00 C ATOM 0 H ILE A 93 1.272 1.196 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.005 -1.354 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.063 1.363 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.246 0.016 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.103 1.284 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.270 0.407 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.451 -0.504 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.502 -1.157 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.048 2.192 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.964 2.831 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.126 1.544 -1.792 1.00 0.00 H new ATOM 1487 N SER A 94 0.552 0.134 -6.038 1.00 0.00 N ATOM 1488 CA SER A 94 0.588 -0.072 -7.481 1.00 0.00 C ATOM 1489 C SER A 94 1.517 -1.227 -7.841 1.00 0.00 C ATOM 1490 O SER A 94 1.359 -1.863 -8.883 1.00 0.00 O ATOM 1491 CB SER A 94 1.045 1.203 -8.189 1.00 0.00 C ATOM 1492 OG SER A 94 0.042 2.202 -8.139 1.00 0.00 O ATOM 0 H SER A 94 0.934 1.028 -5.730 1.00 0.00 H new ATOM 0 HA SER A 94 -0.420 -0.321 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.957 1.575 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.288 0.979 -9.228 1.00 0.00 H new ATOM 0 HG SER A 94 0.228 2.816 -7.398 1.00 0.00 H new ATOM 1498 N GLN A 95 2.485 -1.493 -6.970 1.00 0.00 N ATOM 1499 CA GLN A 95 3.440 -2.572 -7.196 1.00 0.00 C ATOM 1500 C GLN A 95 2.986 -3.856 -6.507 1.00 0.00 C ATOM 1501 O GLN A 95 3.291 -4.959 -6.963 1.00 0.00 O ATOM 1502 CB GLN A 95 4.826 -2.170 -6.687 1.00 0.00 C ATOM 1503 CG GLN A 95 5.834 -3.307 -6.707 1.00 0.00 C ATOM 1504 CD GLN A 95 6.089 -3.838 -8.104 1.00 0.00 C ATOM 1505 OE1 GLN A 95 5.307 -4.628 -8.632 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.189 -3.405 -8.710 1.00 0.00 N ATOM 0 H GLN A 95 2.629 -0.977 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 95 3.493 -2.756 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.204 -1.349 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.735 -1.794 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.774 -2.961 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.473 -4.118 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.809 -2.750 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.413 -3.728 -9.651 1.00 0.00 H new ATOM 1515 N LEU A 96 2.257 -3.703 -5.407 1.00 0.00 N ATOM 1516 CA LEU A 96 1.760 -4.850 -4.654 1.00 0.00 C ATOM 1517 C LEU A 96 0.616 -5.533 -5.396 1.00 0.00 C ATOM 1518 O LEU A 96 0.355 -6.719 -5.196 1.00 0.00 O ATOM 1519 CB LEU A 96 1.293 -4.409 -3.266 1.00 0.00 C ATOM 1520 CG LEU A 96 2.375 -4.326 -2.189 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.951 -3.375 -1.080 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.677 -5.706 -1.625 1.00 0.00 C ATOM 0 H LEU A 96 1.997 -2.797 -5.017 1.00 0.00 H new ATOM 0 HA LEU A 96 2.576 -5.565 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.823 -3.430 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.523 -5.102 -2.927 1.00 0.00 H new ATOM 0 HG LEU A 96 3.285 -3.937 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.733 -3.328 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.789 -2.381 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.027 -3.734 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.449 -5.625 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.772 -6.125 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.026 -6.358 -2.426 1.00 0.00 H new ATOM 1534 N GLY A 97 -0.062 -4.778 -6.254 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.169 -5.328 -7.013 1.00 0.00 C ATOM 1536 C GLY A 97 -2.503 -4.737 -6.606 1.00 0.00 C ATOM 1537 O GLY A 97 -3.505 -5.450 -6.509 1.00 0.00 O ATOM 0 H GLY A 97 0.136 -3.794 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.003 -5.145 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.197 -6.409 -6.876 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.520 -3.431 -6.362 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.742 -2.743 -5.960 1.00 0.00 C ATOM 1543 C LEU A 98 -4.317 -3.353 -4.684 1.00 0.00 C ATOM 1544 O LEU A 98 -5.465 -3.791 -4.658 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.781 -2.808 -7.082 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.616 -1.787 -8.207 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.681 -0.371 -7.659 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -3.306 -2.015 -8.948 1.00 0.00 C ATOM 0 H LEU A 98 -1.701 -2.827 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.493 -1.700 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.754 -3.807 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.770 -2.678 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.437 -1.919 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.561 0.341 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.645 -0.211 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.883 -0.226 -6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.206 -1.279 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.472 -1.913 -8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.300 -3.017 -9.377 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.508 -3.375 -3.630 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.936 -3.929 -2.351 1.00 0.00 C ATOM 1562 C GLN A 99 -4.431 -2.828 -1.418 1.00 0.00 C ATOM 1563 O GLN A 99 -3.685 -1.907 -1.078 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.787 -4.695 -1.693 1.00 0.00 C ATOM 1565 CG GLN A 99 -3.245 -5.687 -0.635 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.115 -7.127 -1.092 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -2.047 -7.731 -0.985 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -4.204 -7.686 -1.605 1.00 0.00 N ATOM 0 H GLN A 99 -2.553 -3.016 -3.636 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.760 -4.617 -2.539 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.229 -5.229 -2.463 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.100 -3.982 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.658 -5.543 0.272 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.284 -5.484 -0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.068 -7.149 -1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.177 -8.653 -1.929 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.690 -2.929 -1.008 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.284 -1.942 -0.113 1.00 0.00 C ATOM 1579 C LYS A 100 -7.362 -2.578 0.758 1.00 0.00 C ATOM 1580 O LYS A 100 -8.207 -1.884 1.324 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.880 -0.786 -0.919 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.948 -1.221 -1.908 1.00 0.00 C ATOM 1583 CD LYS A 100 -9.300 -0.611 -1.574 1.00 0.00 C ATOM 1584 CE LYS A 100 -10.438 -1.397 -2.204 1.00 0.00 C ATOM 1585 NZ LYS A 100 -11.741 -1.116 -1.540 1.00 0.00 N ATOM 0 H LYS A 100 -6.319 -3.684 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.498 -1.556 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.309 -0.058 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.080 -0.281 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.654 -0.926 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.027 -2.308 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.431 -0.584 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.331 0.421 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.509 -1.148 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.221 -2.463 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.491 -1.671 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.682 -1.377 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.961 -0.103 -1.622 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.328 -3.901 0.862 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.300 -4.632 1.666 1.00 0.00 C ATOM 1601 C LYS A 101 -8.326 -4.107 3.099 1.00 0.00 C ATOM 1602 O LYS A 101 -9.339 -4.208 3.789 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.973 -6.127 1.666 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.824 -6.935 0.702 1.00 0.00 C ATOM 1605 CD LYS A 101 -10.287 -6.932 1.110 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.835 -8.345 1.233 1.00 0.00 C ATOM 1607 NZ LYS A 101 -11.213 -8.910 -0.093 1.00 0.00 N ATOM 0 H LYS A 101 -6.636 -4.491 0.399 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.285 -4.482 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.922 -6.261 1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.108 -6.520 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.725 -6.525 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.458 -7.961 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.399 -6.413 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.870 -6.378 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.087 -8.985 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.706 -8.341 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.582 -9.874 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.945 -8.313 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.376 -8.937 -0.710 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.205 -3.545 3.538 1.00 0.00 N ATOM 1622 CA ASN A 102 -7.100 -3.003 4.889 1.00 0.00 C ATOM 1623 C ASN A 102 -5.818 -2.189 5.049 1.00 0.00 C ATOM 1624 O ASN A 102 -4.791 -2.506 4.450 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.132 -4.132 5.918 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.596 -3.660 7.281 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.559 -2.467 7.584 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.039 -4.596 8.113 1.00 0.00 N ATOM 0 H ASN A 102 -6.357 -3.453 2.979 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.952 -2.344 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.795 -4.922 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.136 -4.567 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.366 -4.338 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -8.052 -5.573 7.821 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.889 -1.140 5.863 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.735 -0.283 6.102 1.00 0.00 C ATOM 1637 C ILE A 103 -4.700 0.198 7.551 1.00 0.00 C ATOM 1638 O ILE A 103 -5.660 0.790 8.042 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.736 0.940 5.167 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.456 1.755 5.356 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.963 1.803 5.425 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -3.391 2.989 4.483 1.00 0.00 C ATOM 0 H ILE A 103 -6.732 -0.864 6.367 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.849 -0.883 5.898 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.772 0.590 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.377 2.055 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.596 1.121 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.950 2.664 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.864 1.217 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.955 2.147 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.456 3.518 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.439 2.696 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -4.231 3.644 4.715 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.587 -0.060 8.227 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.424 0.349 9.618 1.00 0.00 C ATOM 1656 C LYS A 104 -2.602 1.631 9.715 1.00 0.00 C ATOM 1657 O LYS A 104 -1.395 1.624 9.478 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.749 -0.765 10.423 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.565 -0.426 11.891 1.00 0.00 C ATOM 1660 CD LYS A 104 -1.882 -1.557 12.643 1.00 0.00 C ATOM 1661 CE LYS A 104 -2.888 -2.412 13.398 1.00 0.00 C ATOM 1662 NZ LYS A 104 -2.247 -3.603 14.021 1.00 0.00 N ATOM 0 H LYS A 104 -2.783 -0.551 7.835 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.414 0.540 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.345 -1.674 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.775 -0.981 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.972 0.484 11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.536 -0.222 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.328 -2.180 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.156 -1.144 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.367 -1.811 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.673 -2.738 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.966 -4.160 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.811 -4.190 13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.515 -3.292 14.692 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.265 2.727 10.066 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.596 4.015 10.198 1.00 0.00 C ATOM 1678 C ILE A 105 -2.431 4.402 11.663 1.00 0.00 C ATOM 1679 O ILE A 105 -3.353 4.246 12.465 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.370 5.129 9.466 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.790 4.659 8.073 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.522 6.389 9.373 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -5.256 4.302 7.973 1.00 0.00 C ATOM 0 H ILE A 105 -4.265 2.749 10.264 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.612 3.908 9.742 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.270 5.361 10.036 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.565 5.444 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.193 3.790 7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.082 7.167 8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.269 6.732 10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.607 6.172 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.483 3.977 6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.483 3.496 8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.861 5.175 8.218 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.253 4.911 12.006 1.00 0.00 N ATOM 1696 CA HIS A 106 -0.968 5.325 13.376 1.00 0.00 C ATOM 1697 C HIS A 106 -1.158 6.829 13.540 1.00 0.00 C ATOM 1698 O HIS A 106 -0.396 7.625 12.993 1.00 0.00 O ATOM 1699 CB HIS A 106 0.459 4.933 13.763 1.00 0.00 C ATOM 1700 CG HIS A 106 0.560 4.301 15.118 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.918 2.984 15.307 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.349 4.814 16.351 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.922 2.713 16.600 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.581 3.808 17.257 1.00 0.00 N ATOM 0 H HIS A 106 -0.480 5.047 11.355 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.669 4.815 14.037 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.852 4.241 13.018 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.091 5.821 13.737 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.053 5.827 16.581 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.163 1.759 17.045 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.503 3.892 18.271 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.180 7.213 14.299 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.452 8.622 14.520 1.00 0.00 C ATOM 1714 C GLY A 107 -2.129 9.058 15.936 1.00 0.00 C ATOM 1715 O GLY A 107 -3.026 9.219 16.764 1.00 0.00 O ATOM 0 H GLY A 107 -2.824 6.574 14.765 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.868 9.217 13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.503 8.823 14.311 1.00 0.00 H new ATOM 1719 N PHE A 108 -0.844 9.249 16.217 1.00 0.00 N ATOM 1720 CA PHE A 108 -0.404 9.667 17.543 1.00 0.00 C ATOM 1721 C PHE A 108 0.279 11.030 17.483 1.00 0.00 C ATOM 1722 O PHE A 108 -0.329 12.024 17.085 1.00 0.00 O ATOM 1723 CB PHE A 108 0.550 8.629 18.136 1.00 0.00 C ATOM 1724 CG PHE A 108 0.092 8.082 19.458 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.102 8.876 20.594 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -0.346 6.772 19.566 1.00 0.00 C ATOM 1727 CE1 PHE A 108 -0.319 8.374 21.812 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -0.769 6.265 20.780 1.00 0.00 C ATOM 1729 CZ PHE A 108 -0.754 7.067 21.905 1.00 0.00 C ATOM 0 H PHE A 108 -0.089 9.121 15.544 1.00 0.00 H new ATOM 0 HA PHE A 108 -1.282 9.749 18.183 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.663 7.806 17.430 1.00 0.00 H new ATOM 0 HB3 PHE A 108 1.534 9.080 18.260 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.443 9.899 20.527 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.357 6.139 18.691 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.307 9.004 22.689 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.111 5.243 20.849 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.082 6.672 22.855 1.00 0.00 H new