USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 72 MET CE :methyl -177:sc= 0 (180deg=-0.0173) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.21) USER MOD Set 2.1: A 57 MET CE :methyl 151:sc= 0 (180deg=-0.161) USER MOD Set 2.2: A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.23 (180deg=-0.0556!) USER MOD Single : A 31 GLN : amide:sc= 1.16 K(o=1.2,f=-0.017) USER MOD Single : A 45 THR OG1 : rot -65:sc= 0.756 USER MOD Single : A 47 THR OG1 : rot 105:sc= 0.113 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 0.701 (180deg=-0.131!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.24) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 0.587 (180deg=0.139) USER MOD Single : A 74 SER OG : rot 85:sc= 0.00216 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.18) USER MOD Single : A 81 THR OG1 : rot 52:sc= 0.0514 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 2.06 (180deg=1.78) USER MOD Single : A 84 MET CE :methyl -174:sc= -0.114 (180deg=-0.212) USER MOD Single : A 85 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.76) USER MOD Single : A 91 THR OG1 : rot -71:sc= 0.678 USER MOD Single : A 94 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 97 MET CE :methyl 178:sc= 0 (180deg=-0.00327) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 383 N LEU A 25 -4.662 -10.388 -27.974 1.00 0.00 N ATOM 384 CA LEU A 25 -4.701 -10.062 -26.523 1.00 0.00 C ATOM 385 C LEU A 25 -5.526 -11.155 -25.798 1.00 0.00 C ATOM 386 O LEU A 25 -6.706 -11.367 -26.103 1.00 0.00 O ATOM 387 CB LEU A 25 -5.386 -8.700 -26.235 1.00 0.00 C ATOM 388 CG LEU A 25 -4.808 -7.494 -27.020 1.00 0.00 C ATOM 389 CD1 LEU A 25 -5.654 -6.228 -26.781 1.00 0.00 C ATOM 390 CD2 LEU A 25 -3.324 -7.223 -26.712 1.00 0.00 C ATOM 0 HA LEU A 25 -3.670 -10.011 -26.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.448 -8.789 -26.466 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.308 -8.490 -25.168 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.860 -7.763 -28.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.229 -5.395 -27.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.677 -6.406 -27.114 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.655 -5.987 -25.718 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.982 -6.367 -27.294 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.206 -7.010 -25.650 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.732 -8.100 -26.974 1.00 0.00 H new ATOM 402 N THR A 26 -4.897 -11.847 -24.840 1.00 0.00 N ATOM 403 CA THR A 26 -5.549 -12.966 -24.101 1.00 0.00 C ATOM 404 C THR A 26 -5.533 -12.677 -22.563 1.00 0.00 C ATOM 405 O THR A 26 -5.509 -11.527 -22.105 1.00 0.00 O ATOM 406 CB THR A 26 -4.911 -14.310 -24.453 1.00 0.00 C ATOM 407 OG1 THR A 26 -3.508 -14.310 -24.203 1.00 0.00 O ATOM 408 CG2 THR A 26 -5.163 -14.635 -25.941 1.00 0.00 C ATOM 0 H THR A 26 -3.937 -11.661 -24.549 1.00 0.00 H new ATOM 0 HA THR A 26 -6.592 -13.034 -24.411 1.00 0.00 H new ATOM 0 HB THR A 26 -5.370 -15.069 -23.819 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.134 -15.185 -24.438 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.706 -15.594 -26.186 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.236 -14.686 -26.126 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.725 -13.855 -26.563 1.00 0.00 H new ATOM 416 N GLU A 27 -5.586 -13.741 -21.760 1.00 0.00 N ATOM 417 CA GLU A 27 -5.814 -13.665 -20.303 1.00 0.00 C ATOM 418 C GLU A 27 -4.595 -13.189 -19.441 1.00 0.00 C ATOM 419 O GLU A 27 -4.765 -12.305 -18.599 1.00 0.00 O ATOM 420 CB GLU A 27 -6.326 -15.017 -19.740 1.00 0.00 C ATOM 421 CG GLU A 27 -6.956 -14.945 -18.330 1.00 0.00 C ATOM 422 CD GLU A 27 -8.253 -14.134 -18.309 1.00 0.00 C ATOM 423 OE1 GLU A 27 -8.856 -13.893 -19.388 1.00 0.00 O ATOM 424 OE2 GLU A 27 -8.677 -13.725 -17.193 1.00 0.00 O ATOM 0 H GLU A 27 -5.471 -14.695 -22.101 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.571 -12.887 -20.210 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.065 -15.424 -20.431 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.494 -15.720 -19.713 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.157 -15.955 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.241 -14.499 -17.638 1.00 0.00 H new ATOM 431 N GLU A 28 -3.371 -13.702 -19.682 1.00 0.00 N ATOM 432 CA GLU A 28 -2.115 -13.168 -19.077 1.00 0.00 C ATOM 433 C GLU A 28 -1.826 -11.652 -19.369 1.00 0.00 C ATOM 434 O GLU A 28 -1.631 -10.902 -18.413 1.00 0.00 O ATOM 435 CB GLU A 28 -0.911 -14.005 -19.567 1.00 0.00 C ATOM 436 CG GLU A 28 0.429 -13.690 -18.879 1.00 0.00 C ATOM 437 CD GLU A 28 1.455 -14.716 -19.350 1.00 0.00 C ATOM 438 OE1 GLU A 28 1.689 -14.791 -20.586 1.00 0.00 O ATOM 439 OE2 GLU A 28 1.996 -15.455 -18.485 1.00 0.00 O ATOM 0 H GLU A 28 -3.216 -14.498 -20.300 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.259 -13.246 -17.999 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.138 -15.061 -19.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.795 -13.852 -20.640 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.757 -12.681 -19.129 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.320 -13.731 -17.795 1.00 0.00 H new ATOM 446 N GLN A 29 -1.885 -11.183 -20.637 1.00 0.00 N ATOM 447 CA GLN A 29 -1.789 -9.720 -20.974 1.00 0.00 C ATOM 448 C GLN A 29 -2.860 -8.818 -20.258 1.00 0.00 C ATOM 449 O GLN A 29 -2.509 -7.806 -19.646 1.00 0.00 O ATOM 450 CB GLN A 29 -1.877 -9.462 -22.493 1.00 0.00 C ATOM 451 CG GLN A 29 -0.719 -10.118 -23.265 1.00 0.00 C ATOM 452 CD GLN A 29 -0.863 -9.768 -24.748 1.00 0.00 C ATOM 453 OE1 GLN A 29 -0.909 -8.587 -25.105 1.00 0.00 O ATOM 454 NE2 GLN A 29 -0.958 -10.815 -25.621 1.00 0.00 N ATOM 0 H GLN A 29 -1.998 -11.786 -21.452 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.805 -9.436 -20.600 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.825 -9.845 -22.870 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.871 -8.388 -22.678 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.239 -9.764 -22.884 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.737 -11.199 -23.128 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.914 -11.773 -25.275 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.073 -10.638 -26.619 1.00 0.00 H new ATOM 463 N LYS A 30 -4.150 -9.205 -20.317 1.00 0.00 N ATOM 464 CA LYS A 30 -5.257 -8.610 -19.501 1.00 0.00 C ATOM 465 C LYS A 30 -4.963 -8.529 -17.953 1.00 0.00 C ATOM 466 O LYS A 30 -5.101 -7.454 -17.355 1.00 0.00 O ATOM 467 CB LYS A 30 -6.508 -9.494 -19.719 1.00 0.00 C ATOM 468 CG LYS A 30 -7.753 -9.257 -18.848 1.00 0.00 C ATOM 469 CD LYS A 30 -8.712 -10.452 -18.979 1.00 0.00 C ATOM 470 CE LYS A 30 -9.821 -10.501 -17.923 1.00 0.00 C ATOM 471 NZ LYS A 30 -10.494 -11.820 -17.946 1.00 0.00 N ATOM 0 H LYS A 30 -4.469 -9.949 -20.938 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.388 -7.580 -19.833 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.810 -9.384 -20.761 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.205 -10.532 -19.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.460 -9.126 -17.806 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.255 -8.340 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.171 -10.426 -19.967 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.133 -11.374 -18.921 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.400 -10.317 -16.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.548 -9.711 -18.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.406 -11.753 -17.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.657 -12.110 -18.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.893 -12.525 -17.473 1.00 0.00 H new ATOM 485 N GLN A 31 -4.530 -9.646 -17.327 1.00 0.00 N ATOM 486 CA GLN A 31 -4.049 -9.669 -15.915 1.00 0.00 C ATOM 487 C GLN A 31 -2.811 -8.755 -15.632 1.00 0.00 C ATOM 488 O GLN A 31 -2.899 -7.941 -14.716 1.00 0.00 O ATOM 489 CB GLN A 31 -3.743 -11.118 -15.453 1.00 0.00 C ATOM 490 CG GLN A 31 -4.464 -11.522 -14.154 1.00 0.00 C ATOM 491 CD GLN A 31 -3.958 -10.695 -12.969 1.00 0.00 C ATOM 492 OE1 GLN A 31 -4.686 -9.842 -12.446 1.00 0.00 O ATOM 493 NE2 GLN A 31 -2.688 -10.971 -12.552 1.00 0.00 N ATOM 0 H GLN A 31 -4.502 -10.559 -17.780 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.874 -9.255 -15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.028 -11.810 -16.246 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.668 -11.224 -15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.538 -11.379 -14.270 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.303 -12.582 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.140 -11.688 -13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.287 -10.461 -11.765 1.00 0.00 H new ATOM 502 N GLU A 32 -1.708 -8.835 -16.408 1.00 0.00 N ATOM 503 CA GLU A 32 -0.530 -7.909 -16.290 1.00 0.00 C ATOM 504 C GLU A 32 -0.854 -6.376 -16.272 1.00 0.00 C ATOM 505 O GLU A 32 -0.388 -5.654 -15.384 1.00 0.00 O ATOM 506 CB GLU A 32 0.467 -8.117 -17.454 1.00 0.00 C ATOM 507 CG GLU A 32 1.210 -9.461 -17.403 1.00 0.00 C ATOM 508 CD GLU A 32 2.116 -9.559 -18.628 1.00 0.00 C ATOM 509 OE1 GLU A 32 1.577 -9.517 -19.765 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.357 -9.658 -18.441 1.00 0.00 O ATOM 0 H GLU A 32 -1.597 -9.539 -17.138 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.119 -8.179 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.072 -8.046 -18.399 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.198 -7.308 -17.443 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.799 -9.534 -16.489 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.499 -10.287 -17.390 1.00 0.00 H new ATOM 517 N ILE A 33 -1.646 -5.887 -17.243 1.00 0.00 N ATOM 518 CA ILE A 33 -2.006 -4.442 -17.342 1.00 0.00 C ATOM 519 C ILE A 33 -2.982 -3.993 -16.194 1.00 0.00 C ATOM 520 O ILE A 33 -2.697 -2.970 -15.552 1.00 0.00 O ATOM 521 CB ILE A 33 -2.637 -4.183 -18.710 1.00 0.00 C ATOM 522 CG1 ILE A 33 -1.663 -4.546 -19.865 1.00 0.00 C ATOM 523 CG2 ILE A 33 -3.141 -2.732 -18.851 1.00 0.00 C ATOM 524 CD1 ILE A 33 -0.373 -3.718 -19.923 1.00 0.00 C ATOM 0 H ILE A 33 -2.055 -6.465 -17.977 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.096 -3.853 -17.229 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.505 -4.838 -18.783 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.395 -5.599 -19.774 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.191 -4.432 -20.812 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.581 -2.594 -19.839 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.893 -2.532 -18.087 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.306 -2.043 -18.727 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.236 -4.051 -20.764 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.622 -2.665 -20.050 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.186 -3.849 -18.996 1.00 0.00 H new ATOM 536 N ARG A 34 -4.080 -4.743 -15.878 1.00 0.00 N ATOM 537 CA ARG A 34 -4.892 -4.467 -14.665 1.00 0.00 C ATOM 538 C ARG A 34 -4.052 -4.583 -13.359 1.00 0.00 C ATOM 539 O ARG A 34 -4.003 -3.596 -12.630 1.00 0.00 O ATOM 540 CB ARG A 34 -6.143 -5.378 -14.538 1.00 0.00 C ATOM 541 CG ARG A 34 -7.094 -4.989 -13.383 1.00 0.00 C ATOM 542 CD ARG A 34 -6.891 -5.782 -12.073 1.00 0.00 C ATOM 543 NE ARG A 34 -7.472 -5.016 -10.917 1.00 0.00 N ATOM 544 CZ ARG A 34 -8.793 -5.004 -10.559 1.00 0.00 C ATOM 545 NH1 ARG A 34 -9.720 -5.737 -11.239 1.00 0.00 N ATOM 546 NH2 ARG A 34 -9.164 -4.232 -9.495 1.00 0.00 N ATOM 0 H ARG A 34 -4.414 -5.527 -16.438 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.232 -3.439 -14.791 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.697 -5.348 -15.476 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.816 -6.408 -14.394 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.967 -3.927 -13.170 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.122 -5.127 -13.717 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.369 -6.758 -12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.829 -5.960 -11.906 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.829 -4.460 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.434 -6.310 -12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.699 -5.712 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.464 -3.686 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.141 -4.201 -9.203 1.00 0.00 H new ATOM 560 N GLU A 35 -3.379 -5.720 -13.075 1.00 0.00 N ATOM 561 CA GLU A 35 -2.576 -5.888 -11.836 1.00 0.00 C ATOM 562 C GLU A 35 -1.512 -4.777 -11.591 1.00 0.00 C ATOM 563 O GLU A 35 -1.491 -4.283 -10.465 1.00 0.00 O ATOM 564 CB GLU A 35 -1.863 -7.260 -11.757 1.00 0.00 C ATOM 565 CG GLU A 35 -1.160 -7.524 -10.410 1.00 0.00 C ATOM 566 CD GLU A 35 -0.611 -8.945 -10.376 1.00 0.00 C ATOM 567 OE1 GLU A 35 -1.439 -9.893 -10.337 1.00 0.00 O ATOM 568 OE2 GLU A 35 0.639 -9.103 -10.383 1.00 0.00 O ATOM 0 H GLU A 35 -3.374 -6.537 -13.685 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.331 -5.813 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.594 -8.049 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.126 -7.322 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.350 -6.809 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.862 -7.377 -9.589 1.00 0.00 H new ATOM 575 N ALA A 36 -0.714 -4.321 -12.580 1.00 0.00 N ATOM 576 CA ALA A 36 0.238 -3.196 -12.357 1.00 0.00 C ATOM 577 C ALA A 36 -0.395 -1.772 -12.180 1.00 0.00 C ATOM 578 O ALA A 36 -0.104 -1.088 -11.181 1.00 0.00 O ATOM 579 CB ALA A 36 1.261 -3.078 -13.499 1.00 0.00 C ATOM 0 H ALA A 36 -0.704 -4.702 -13.526 1.00 0.00 H new ATOM 0 HA ALA A 36 0.697 -3.476 -11.409 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.936 -2.246 -13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.835 -4.002 -13.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.738 -2.902 -14.439 1.00 0.00 H new ATOM 585 N PHE A 37 -1.244 -1.292 -13.123 1.00 0.00 N ATOM 586 CA PHE A 37 -1.829 0.083 -13.000 1.00 0.00 C ATOM 587 C PHE A 37 -2.829 0.210 -11.807 1.00 0.00 C ATOM 588 O PHE A 37 -2.714 1.184 -11.061 1.00 0.00 O ATOM 589 CB PHE A 37 -2.601 0.444 -14.297 1.00 0.00 C ATOM 590 CG PHE A 37 -2.751 1.933 -14.483 1.00 0.00 C ATOM 591 CD1 PHE A 37 -3.749 2.662 -13.810 1.00 0.00 C ATOM 592 CD2 PHE A 37 -1.905 2.610 -15.378 1.00 0.00 C ATOM 593 CE1 PHE A 37 -3.877 4.043 -14.005 1.00 0.00 C ATOM 594 CE2 PHE A 37 -2.062 3.979 -15.610 1.00 0.00 C ATOM 595 CZ PHE A 37 -3.030 4.699 -14.902 1.00 0.00 C ATOM 0 H PHE A 37 -1.536 -1.809 -13.952 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.991 0.759 -12.828 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.078 0.024 -15.156 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.588 -0.017 -14.269 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.422 2.152 -13.137 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.126 2.067 -15.892 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.628 4.599 -13.464 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.437 4.480 -16.334 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.123 5.765 -15.049 1.00 0.00 H new ATOM 605 N ASP A 38 -3.740 -0.762 -11.581 1.00 0.00 N ATOM 606 CA ASP A 38 -4.551 -0.818 -10.328 1.00 0.00 C ATOM 607 C ASP A 38 -3.674 -1.040 -9.025 1.00 0.00 C ATOM 608 O ASP A 38 -4.067 -0.527 -7.975 1.00 0.00 O ATOM 609 CB ASP A 38 -5.562 -1.990 -10.452 1.00 0.00 C ATOM 610 CG ASP A 38 -6.629 -2.036 -9.360 1.00 0.00 C ATOM 611 OD1 ASP A 38 -7.372 -1.039 -9.194 1.00 0.00 O ATOM 612 OD2 ASP A 38 -6.766 -3.123 -8.733 1.00 0.00 O ATOM 0 H ASP A 38 -3.937 -1.516 -12.239 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.050 0.145 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.057 -1.923 -11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.010 -2.930 -10.440 1.00 0.00 H new ATOM 617 N LEU A 39 -2.473 -1.695 -9.037 1.00 0.00 N ATOM 618 CA LEU A 39 -1.512 -1.679 -7.893 1.00 0.00 C ATOM 619 C LEU A 39 -1.156 -0.241 -7.405 1.00 0.00 C ATOM 620 O LEU A 39 -1.268 0.060 -6.213 1.00 0.00 O ATOM 621 CB LEU A 39 -0.195 -2.459 -8.153 1.00 0.00 C ATOM 622 CG LEU A 39 0.796 -2.563 -6.965 1.00 0.00 C ATOM 623 CD1 LEU A 39 0.171 -3.212 -5.713 1.00 0.00 C ATOM 624 CD2 LEU A 39 2.071 -3.316 -7.390 1.00 0.00 C ATOM 0 H LEU A 39 -2.148 -2.243 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.061 -2.197 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.454 -3.469 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.322 -1.986 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 39 1.058 -1.543 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.914 -3.256 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.681 -2.618 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.163 -4.221 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.755 -3.380 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.807 -4.321 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.554 -2.781 -8.208 1.00 0.00 H new ATOM 636 N PHE A 40 -0.677 0.610 -8.337 1.00 0.00 N ATOM 637 CA PHE A 40 -0.258 1.997 -8.005 1.00 0.00 C ATOM 638 C PHE A 40 -1.459 2.999 -7.907 1.00 0.00 C ATOM 639 O PHE A 40 -1.523 3.764 -6.942 1.00 0.00 O ATOM 640 CB PHE A 40 0.837 2.518 -8.951 1.00 0.00 C ATOM 641 CG PHE A 40 2.048 1.641 -8.745 1.00 0.00 C ATOM 642 CD1 PHE A 40 2.850 1.811 -7.601 1.00 0.00 C ATOM 643 CD2 PHE A 40 2.341 0.584 -9.624 1.00 0.00 C ATOM 644 CE1 PHE A 40 3.909 0.934 -7.334 1.00 0.00 C ATOM 645 CE2 PHE A 40 3.390 -0.301 -9.354 1.00 0.00 C ATOM 646 CZ PHE A 40 4.170 -0.131 -8.205 1.00 0.00 C ATOM 0 H PHE A 40 -0.569 0.367 -9.322 1.00 0.00 H new ATOM 0 HA PHE A 40 0.175 1.939 -7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.503 2.478 -9.988 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.073 3.559 -8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.647 2.626 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.749 0.454 -10.518 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.523 1.079 -6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.598 -1.115 -10.032 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.973 -0.821 -7.990 1.00 0.00 H new ATOM 656 N ASP A 41 -2.430 2.967 -8.841 1.00 0.00 N ATOM 657 CA ASP A 41 -3.711 3.711 -8.721 1.00 0.00 C ATOM 658 C ASP A 41 -4.870 2.754 -8.271 1.00 0.00 C ATOM 659 O ASP A 41 -5.663 2.277 -9.088 1.00 0.00 O ATOM 660 CB ASP A 41 -4.088 4.378 -10.077 1.00 0.00 C ATOM 661 CG ASP A 41 -5.250 5.371 -9.994 1.00 0.00 C ATOM 662 OD1 ASP A 41 -5.795 5.627 -8.885 1.00 0.00 O ATOM 663 OD2 ASP A 41 -5.613 5.921 -11.067 1.00 0.00 O ATOM 0 H ASP A 41 -2.353 2.426 -9.702 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.576 4.486 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.212 4.895 -10.469 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.344 3.597 -10.793 1.00 0.00 H new ATOM 668 N ALA A 42 -4.972 2.483 -6.952 1.00 0.00 N ATOM 669 CA ALA A 42 -5.994 1.532 -6.403 1.00 0.00 C ATOM 670 C ALA A 42 -7.429 2.114 -6.160 1.00 0.00 C ATOM 671 O ALA A 42 -8.408 1.374 -6.267 1.00 0.00 O ATOM 672 CB ALA A 42 -5.526 0.940 -5.061 1.00 0.00 C ATOM 0 H ALA A 42 -4.369 2.900 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.078 0.788 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.283 0.254 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.589 0.402 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.374 1.745 -4.342 1.00 0.00 H new ATOM 678 N ASP A 43 -7.563 3.413 -5.833 1.00 0.00 N ATOM 679 CA ASP A 43 -8.876 4.120 -5.795 1.00 0.00 C ATOM 680 C ASP A 43 -9.557 4.328 -7.204 1.00 0.00 C ATOM 681 O ASP A 43 -10.777 4.186 -7.317 1.00 0.00 O ATOM 682 CB ASP A 43 -8.694 5.513 -5.128 1.00 0.00 C ATOM 683 CG ASP A 43 -10.031 6.160 -4.758 1.00 0.00 C ATOM 684 OD1 ASP A 43 -10.771 5.554 -3.939 1.00 0.00 O ATOM 685 OD2 ASP A 43 -10.314 7.274 -5.273 1.00 0.00 O ATOM 0 H ASP A 43 -6.772 4.009 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.539 3.472 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.084 5.407 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.151 6.170 -5.807 1.00 0.00 H new ATOM 690 N GLY A 44 -8.784 4.656 -8.260 1.00 0.00 N ATOM 691 CA GLY A 44 -9.321 4.967 -9.611 1.00 0.00 C ATOM 692 C GLY A 44 -9.317 6.475 -9.932 1.00 0.00 C ATOM 693 O GLY A 44 -10.379 7.077 -10.101 1.00 0.00 O ATOM 0 H GLY A 44 -7.767 4.714 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.730 4.441 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.340 4.589 -9.686 1.00 0.00 H new ATOM 697 N THR A 45 -8.120 7.069 -10.023 1.00 0.00 N ATOM 698 CA THR A 45 -7.940 8.548 -10.107 1.00 0.00 C ATOM 699 C THR A 45 -7.512 9.015 -11.534 1.00 0.00 C ATOM 700 O THR A 45 -8.187 9.879 -12.105 1.00 0.00 O ATOM 701 CB THR A 45 -6.969 9.058 -9.046 1.00 0.00 C ATOM 702 OG1 THR A 45 -5.694 8.421 -9.101 1.00 0.00 O ATOM 703 CG2 THR A 45 -7.585 8.837 -7.648 1.00 0.00 C ATOM 0 H THR A 45 -7.242 6.550 -10.041 1.00 0.00 H new ATOM 0 HA THR A 45 -8.916 8.990 -9.906 1.00 0.00 H new ATOM 0 HB THR A 45 -6.807 10.118 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.792 7.472 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.896 9.199 -6.885 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.526 9.382 -7.575 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.769 7.773 -7.495 1.00 0.00 H new ATOM 711 N GLY A 46 -6.400 8.508 -12.101 1.00 0.00 N ATOM 712 CA GLY A 46 -5.893 9.010 -13.407 1.00 0.00 C ATOM 713 C GLY A 46 -4.471 8.559 -13.774 1.00 0.00 C ATOM 714 O GLY A 46 -4.309 7.857 -14.776 1.00 0.00 O ATOM 0 H GLY A 46 -5.839 7.763 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.574 8.684 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.919 10.100 -13.394 1.00 0.00 H new ATOM 718 N THR A 47 -3.452 9.036 -13.033 1.00 0.00 N ATOM 719 CA THR A 47 -2.024 8.852 -13.426 1.00 0.00 C ATOM 720 C THR A 47 -1.194 8.023 -12.400 1.00 0.00 C ATOM 721 O THR A 47 -1.293 8.166 -11.179 1.00 0.00 O ATOM 722 CB THR A 47 -1.272 10.146 -13.734 1.00 0.00 C ATOM 723 OG1 THR A 47 -1.240 11.039 -12.625 1.00 0.00 O ATOM 724 CG2 THR A 47 -1.946 10.841 -14.935 1.00 0.00 C ATOM 0 H THR A 47 -3.581 9.550 -12.162 1.00 0.00 H new ATOM 0 HA THR A 47 -2.112 8.287 -14.354 1.00 0.00 H new ATOM 0 HB THR A 47 -0.239 9.883 -13.964 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.347 11.029 -12.223 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.417 11.766 -15.164 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.914 10.181 -15.802 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.983 11.067 -14.689 1.00 0.00 H new ATOM 732 N ILE A 48 -0.328 7.183 -12.983 1.00 0.00 N ATOM 733 CA ILE A 48 0.757 6.456 -12.271 1.00 0.00 C ATOM 734 C ILE A 48 2.035 7.160 -12.836 1.00 0.00 C ATOM 735 O ILE A 48 2.268 7.206 -14.054 1.00 0.00 O ATOM 736 CB ILE A 48 0.792 4.949 -12.590 1.00 0.00 C ATOM 737 CG1 ILE A 48 2.014 4.249 -11.952 1.00 0.00 C ATOM 738 CG2 ILE A 48 0.738 4.668 -14.108 1.00 0.00 C ATOM 739 CD1 ILE A 48 2.172 2.772 -12.335 1.00 0.00 C ATOM 0 H ILE A 48 -0.354 6.979 -13.982 1.00 0.00 H new ATOM 0 HA ILE A 48 0.643 6.497 -11.188 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.109 4.527 -12.144 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.917 4.785 -12.243 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.934 4.324 -10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.765 3.592 -14.280 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.183 5.078 -14.521 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.594 5.135 -14.595 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.054 2.361 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.288 2.218 -12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.286 2.687 -13.416 1.00 0.00 H new ATOM 751 N ASP A 49 2.861 7.716 -11.943 1.00 0.00 N ATOM 752 CA ASP A 49 3.983 8.623 -12.348 1.00 0.00 C ATOM 753 C ASP A 49 5.341 7.834 -12.385 1.00 0.00 C ATOM 754 O ASP A 49 5.451 6.694 -11.923 1.00 0.00 O ATOM 755 CB ASP A 49 4.084 9.893 -11.467 1.00 0.00 C ATOM 756 CG ASP A 49 2.992 10.897 -11.867 1.00 0.00 C ATOM 757 OD1 ASP A 49 1.782 10.543 -11.839 1.00 0.00 O ATOM 758 OD2 ASP A 49 3.367 12.047 -12.224 1.00 0.00 O ATOM 0 H ASP A 49 2.789 7.566 -10.937 1.00 0.00 H new ATOM 0 HA ASP A 49 3.760 8.978 -13.354 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.977 9.626 -10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.068 10.348 -11.582 1.00 0.00 H new ATOM 763 N VAL A 50 6.384 8.407 -13.025 1.00 0.00 N ATOM 764 CA VAL A 50 7.671 7.682 -13.356 1.00 0.00 C ATOM 765 C VAL A 50 8.384 6.899 -12.198 1.00 0.00 C ATOM 766 O VAL A 50 8.957 5.846 -12.482 1.00 0.00 O ATOM 767 CB VAL A 50 8.686 8.554 -14.079 1.00 0.00 C ATOM 768 CG1 VAL A 50 8.182 8.765 -15.521 1.00 0.00 C ATOM 769 CG2 VAL A 50 8.916 9.878 -13.319 1.00 0.00 C ATOM 0 H VAL A 50 6.377 9.379 -13.333 1.00 0.00 H new ATOM 0 HA VAL A 50 7.293 6.911 -14.027 1.00 0.00 H new ATOM 0 HB VAL A 50 9.661 8.068 -14.117 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.891 9.388 -16.067 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.089 7.800 -16.019 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.209 9.256 -15.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.646 10.484 -13.856 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.975 10.424 -13.246 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.290 9.663 -12.318 1.00 0.00 H new ATOM 779 N LYS A 51 8.347 7.350 -10.934 1.00 0.00 N ATOM 780 CA LYS A 51 8.795 6.533 -9.759 1.00 0.00 C ATOM 781 C LYS A 51 8.055 5.137 -9.633 1.00 0.00 C ATOM 782 O LYS A 51 8.666 4.065 -9.759 1.00 0.00 O ATOM 783 CB LYS A 51 8.552 7.298 -8.434 1.00 0.00 C ATOM 784 CG LYS A 51 9.183 8.701 -8.397 1.00 0.00 C ATOM 785 CD LYS A 51 8.786 9.490 -7.139 1.00 0.00 C ATOM 786 CE LYS A 51 9.296 10.939 -7.156 1.00 0.00 C ATOM 787 NZ LYS A 51 8.815 11.697 -5.976 1.00 0.00 N ATOM 0 H LYS A 51 8.012 8.280 -10.683 1.00 0.00 H new ATOM 0 HA LYS A 51 9.856 6.351 -9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.478 7.389 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.951 6.709 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.268 8.609 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.877 9.257 -9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.700 9.494 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.179 8.982 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.386 10.942 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.962 11.433 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.177 12.671 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.775 11.714 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.155 11.238 -5.107 1.00 0.00 H new ATOM 801 N GLU A 52 6.718 5.207 -9.478 1.00 0.00 N ATOM 802 CA GLU A 52 5.775 4.058 -9.553 1.00 0.00 C ATOM 803 C GLU A 52 5.844 3.248 -10.892 1.00 0.00 C ATOM 804 O GLU A 52 5.942 2.023 -10.832 1.00 0.00 O ATOM 805 CB GLU A 52 4.345 4.602 -9.419 1.00 0.00 C ATOM 806 CG GLU A 52 4.110 5.433 -8.147 1.00 0.00 C ATOM 807 CD GLU A 52 2.741 6.093 -8.260 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.567 6.912 -9.203 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.862 5.785 -7.417 1.00 0.00 O ATOM 0 H GLU A 52 6.243 6.090 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 52 6.058 3.377 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.118 5.217 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.646 3.765 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.154 4.797 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.889 6.188 -8.036 1.00 0.00 H new ATOM 816 N LEU A 53 5.834 3.888 -12.089 1.00 0.00 N ATOM 817 CA LEU A 53 6.021 3.182 -13.387 1.00 0.00 C ATOM 818 C LEU A 53 7.380 2.409 -13.562 1.00 0.00 C ATOM 819 O LEU A 53 7.387 1.318 -14.131 1.00 0.00 O ATOM 820 CB LEU A 53 5.897 4.193 -14.554 1.00 0.00 C ATOM 821 CG LEU A 53 5.759 3.573 -15.962 1.00 0.00 C ATOM 822 CD1 LEU A 53 4.504 2.686 -16.081 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.779 4.668 -17.045 1.00 0.00 C ATOM 0 H LEU A 53 5.698 4.894 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 53 5.237 2.425 -13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.031 4.829 -14.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.774 4.840 -14.546 1.00 0.00 H new ATOM 0 HG LEU A 53 6.620 2.924 -16.121 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.446 2.270 -17.087 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.562 1.874 -15.356 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.615 3.285 -15.884 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.681 4.209 -18.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.950 5.357 -16.881 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.721 5.215 -16.992 1.00 0.00 H new ATOM 835 N LYS A 54 8.511 2.929 -13.055 1.00 0.00 N ATOM 836 CA LYS A 54 9.802 2.185 -12.983 1.00 0.00 C ATOM 837 C LYS A 54 9.779 0.904 -12.094 1.00 0.00 C ATOM 838 O LYS A 54 10.175 -0.162 -12.576 1.00 0.00 O ATOM 839 CB LYS A 54 10.954 3.108 -12.526 1.00 0.00 C ATOM 840 CG LYS A 54 12.358 2.546 -12.804 1.00 0.00 C ATOM 841 CD LYS A 54 13.463 3.594 -12.606 1.00 0.00 C ATOM 842 CE LYS A 54 14.852 3.084 -13.017 1.00 0.00 C ATOM 843 NZ LYS A 54 15.876 4.150 -12.894 1.00 0.00 N ATOM 0 H LYS A 54 8.567 3.876 -12.681 1.00 0.00 H new ATOM 0 HA LYS A 54 9.970 1.842 -14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.854 4.071 -13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.854 3.293 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.543 1.699 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.399 2.169 -13.826 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.221 4.483 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.487 3.895 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.130 2.236 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.820 2.724 -14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.803 3.775 -13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.622 4.948 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.922 4.475 -11.907 1.00 0.00 H new ATOM 857 N VAL A 55 9.312 0.982 -10.827 1.00 0.00 N ATOM 858 CA VAL A 55 9.048 -0.256 -10.011 1.00 0.00 C ATOM 859 C VAL A 55 7.921 -1.186 -10.605 1.00 0.00 C ATOM 860 O VAL A 55 8.000 -2.410 -10.458 1.00 0.00 O ATOM 861 CB VAL A 55 8.821 0.011 -8.529 1.00 0.00 C ATOM 862 CG1 VAL A 55 10.127 0.585 -7.937 1.00 0.00 C ATOM 863 CG2 VAL A 55 7.633 0.961 -8.304 1.00 0.00 C ATOM 0 H VAL A 55 9.110 1.858 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 55 9.984 -0.810 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 55 8.567 -0.920 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.988 0.784 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.934 -0.136 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.382 1.512 -8.450 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.499 1.130 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.828 1.912 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.728 0.516 -8.717 1.00 0.00 H new ATOM 873 N ALA A 56 6.927 -0.618 -11.312 1.00 0.00 N ATOM 874 CA ALA A 56 5.939 -1.400 -12.116 1.00 0.00 C ATOM 875 C ALA A 56 6.584 -2.217 -13.287 1.00 0.00 C ATOM 876 O ALA A 56 6.306 -3.411 -13.426 1.00 0.00 O ATOM 877 CB ALA A 56 4.840 -0.520 -12.743 1.00 0.00 C ATOM 0 H ALA A 56 6.777 0.390 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 56 5.511 -2.082 -11.382 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.154 -1.146 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.291 -0.006 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.297 0.215 -13.405 1.00 0.00 H new ATOM 883 N MET A 57 7.476 -1.597 -14.085 1.00 0.00 N ATOM 884 CA MET A 57 8.323 -2.311 -15.084 1.00 0.00 C ATOM 885 C MET A 57 9.357 -3.324 -14.471 1.00 0.00 C ATOM 886 O MET A 57 9.710 -4.276 -15.168 1.00 0.00 O ATOM 887 CB MET A 57 9.074 -1.310 -15.987 1.00 0.00 C ATOM 888 CG MET A 57 8.262 -0.803 -17.203 1.00 0.00 C ATOM 889 SD MET A 57 6.548 -0.265 -16.901 1.00 0.00 S ATOM 890 CE MET A 57 6.361 0.533 -18.517 1.00 0.00 C ATOM 0 H MET A 57 7.636 -0.590 -14.062 1.00 0.00 H new ATOM 0 HA MET A 57 7.616 -2.903 -15.666 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.375 -0.453 -15.385 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.988 -1.782 -16.348 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.804 0.033 -17.645 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.239 -1.598 -17.948 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.315 0.500 -18.820 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.687 1.571 -18.450 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.969 0.009 -19.254 1.00 0.00 H new ATOM 900 N ARG A 58 9.850 -3.164 -13.226 1.00 0.00 N ATOM 901 CA ARG A 58 10.635 -4.230 -12.530 1.00 0.00 C ATOM 902 C ARG A 58 9.757 -5.511 -12.256 1.00 0.00 C ATOM 903 O ARG A 58 10.133 -6.590 -12.720 1.00 0.00 O ATOM 904 CB ARG A 58 11.258 -3.752 -11.204 1.00 0.00 C ATOM 905 CG ARG A 58 12.404 -2.755 -11.440 1.00 0.00 C ATOM 906 CD ARG A 58 13.060 -2.286 -10.137 1.00 0.00 C ATOM 907 NE ARG A 58 14.306 -1.523 -10.477 1.00 0.00 N ATOM 908 CZ ARG A 58 15.123 -0.978 -9.523 1.00 0.00 C ATOM 909 NH1 ARG A 58 14.763 -0.992 -8.206 1.00 0.00 N ATOM 910 NH2 ARG A 58 16.313 -0.417 -9.896 1.00 0.00 N ATOM 0 H ARG A 58 9.725 -2.315 -12.675 1.00 0.00 H new ATOM 0 HA ARG A 58 11.447 -4.482 -13.212 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.489 -3.284 -10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.632 -4.611 -10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.159 -3.219 -12.075 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.021 -1.890 -11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.373 -1.656 -9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.300 -3.141 -9.505 1.00 0.00 H new ATOM 0 HE ARG A 58 14.555 -1.405 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.877 -1.412 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.380 -0.583 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.586 -0.407 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.927 -0.009 -9.192 1.00 0.00 H new ATOM 924 N ALA A 59 8.598 -5.405 -11.555 1.00 0.00 N ATOM 925 CA ALA A 59 7.692 -6.565 -11.323 1.00 0.00 C ATOM 926 C ALA A 59 6.923 -7.133 -12.564 1.00 0.00 C ATOM 927 O ALA A 59 6.929 -8.351 -12.752 1.00 0.00 O ATOM 928 CB ALA A 59 6.614 -6.209 -10.281 1.00 0.00 C ATOM 0 H ALA A 59 8.268 -4.533 -11.142 1.00 0.00 H new ATOM 0 HA ALA A 59 8.388 -7.338 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.962 -7.068 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.093 -5.941 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.024 -5.366 -10.641 1.00 0.00 H new ATOM 934 N LEU A 60 6.279 -6.298 -13.400 1.00 0.00 N ATOM 935 CA LEU A 60 5.689 -6.745 -14.697 1.00 0.00 C ATOM 936 C LEU A 60 6.747 -6.952 -15.811 1.00 0.00 C ATOM 937 O LEU A 60 6.765 -8.011 -16.432 1.00 0.00 O ATOM 938 CB LEU A 60 4.674 -5.672 -15.200 1.00 0.00 C ATOM 939 CG LEU A 60 3.679 -6.038 -16.340 1.00 0.00 C ATOM 940 CD1 LEU A 60 2.627 -4.921 -16.484 1.00 0.00 C ATOM 941 CD2 LEU A 60 4.290 -6.311 -17.730 1.00 0.00 C ATOM 0 H LEU A 60 6.148 -5.305 -13.209 1.00 0.00 H new ATOM 0 HA LEU A 60 5.209 -7.704 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.084 -5.351 -14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.249 -4.808 -15.532 1.00 0.00 H new ATOM 0 HG LEU A 60 3.251 -6.989 -16.022 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.931 -5.178 -17.282 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.081 -4.813 -15.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.124 -3.982 -16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.495 -6.554 -18.435 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.822 -5.424 -18.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.985 -7.148 -17.664 1.00 0.00 H new ATOM 953 N GLY A 61 7.552 -5.927 -16.142 1.00 0.00 N ATOM 954 CA GLY A 61 8.479 -6.005 -17.299 1.00 0.00 C ATOM 955 C GLY A 61 9.593 -7.070 -17.213 1.00 0.00 C ATOM 956 O GLY A 61 9.843 -7.713 -18.232 1.00 0.00 O ATOM 0 H GLY A 61 7.584 -5.042 -15.635 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.891 -6.197 -18.196 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.948 -5.029 -17.428 1.00 0.00 H new ATOM 960 N PHE A 62 10.273 -7.238 -16.051 1.00 0.00 N ATOM 961 CA PHE A 62 11.291 -8.303 -15.814 1.00 0.00 C ATOM 962 C PHE A 62 12.597 -7.919 -16.573 1.00 0.00 C ATOM 963 O PHE A 62 12.571 -7.782 -17.802 1.00 0.00 O ATOM 964 CB PHE A 62 10.919 -9.768 -16.171 1.00 0.00 C ATOM 965 CG PHE A 62 9.761 -10.261 -15.350 1.00 0.00 C ATOM 966 CD1 PHE A 62 9.910 -10.490 -13.971 1.00 0.00 C ATOM 967 CD2 PHE A 62 8.525 -10.542 -15.956 1.00 0.00 C ATOM 968 CE1 PHE A 62 8.844 -10.989 -13.213 1.00 0.00 C ATOM 969 CE2 PHE A 62 7.456 -11.035 -15.199 1.00 0.00 C ATOM 970 CZ PHE A 62 7.616 -11.263 -13.827 1.00 0.00 C ATOM 0 H PHE A 62 10.131 -6.634 -15.241 1.00 0.00 H new ATOM 0 HA PHE A 62 11.395 -8.324 -14.729 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.669 -9.833 -17.230 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.782 -10.413 -16.008 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.855 -10.279 -13.492 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.399 -10.376 -17.016 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.969 -11.163 -12.154 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.508 -11.240 -15.673 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.794 -11.650 -13.243 1.00 0.00 H new ATOM 980 N GLU A 63 13.758 -7.812 -15.898 1.00 0.00 N ATOM 981 CA GLU A 63 14.957 -7.199 -16.590 1.00 0.00 C ATOM 982 C GLU A 63 15.631 -7.894 -17.833 1.00 0.00 C ATOM 983 O GLU A 63 16.405 -7.146 -18.444 1.00 0.00 O ATOM 984 CB GLU A 63 16.038 -6.752 -15.577 1.00 0.00 C ATOM 985 CG GLU A 63 15.473 -5.867 -14.441 1.00 0.00 C ATOM 986 CD GLU A 63 14.731 -4.665 -15.022 1.00 0.00 C ATOM 987 OE1 GLU A 63 15.391 -3.786 -15.638 1.00 0.00 O ATOM 988 OE2 GLU A 63 13.478 -4.620 -14.895 1.00 0.00 O ATOM 0 H GLU A 63 13.910 -8.114 -14.936 1.00 0.00 H new ATOM 0 HA GLU A 63 14.455 -6.362 -17.075 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.508 -7.634 -15.143 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.817 -6.202 -16.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.798 -6.452 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.285 -5.526 -13.799 1.00 0.00 H new ATOM 995 N PRO A 64 15.408 -9.135 -18.364 1.00 0.00 N ATOM 996 CA PRO A 64 15.886 -9.551 -19.726 1.00 0.00 C ATOM 997 C PRO A 64 15.879 -8.564 -20.969 1.00 0.00 C ATOM 998 O PRO A 64 16.554 -8.842 -21.962 1.00 0.00 O ATOM 999 CB PRO A 64 15.098 -10.831 -19.992 1.00 0.00 C ATOM 1000 CG PRO A 64 15.003 -11.469 -18.598 1.00 0.00 C ATOM 1001 CD PRO A 64 14.798 -10.266 -17.667 1.00 0.00 C ATOM 0 HA PRO A 64 16.971 -9.629 -19.660 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.113 -10.620 -20.408 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.611 -11.482 -20.700 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.173 -12.172 -18.534 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.908 -12.021 -18.347 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.739 -10.089 -17.480 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.269 -10.433 -16.698 1.00 0.00 H new ATOM 1009 N LYS A 65 15.080 -7.481 -20.942 1.00 0.00 N ATOM 1010 CA LYS A 65 14.779 -6.566 -22.084 1.00 0.00 C ATOM 1011 C LYS A 65 15.950 -5.995 -22.958 1.00 0.00 C ATOM 1012 O LYS A 65 15.743 -5.789 -24.156 1.00 0.00 O ATOM 1013 CB LYS A 65 14.131 -5.281 -21.510 1.00 0.00 C ATOM 1014 CG LYS A 65 12.953 -5.480 -20.538 1.00 0.00 C ATOM 1015 CD LYS A 65 13.040 -4.546 -19.313 1.00 0.00 C ATOM 1016 CE LYS A 65 11.789 -4.627 -18.427 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.953 -3.972 -17.108 1.00 0.00 N ATOM 0 H LYS A 65 14.599 -7.198 -20.088 1.00 0.00 H new ATOM 0 HA LYS A 65 14.187 -7.215 -22.730 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.904 -4.709 -20.996 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.785 -4.671 -22.345 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.016 -5.299 -21.064 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.934 -6.516 -20.201 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.918 -4.807 -18.722 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.177 -3.519 -19.651 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.952 -4.165 -18.951 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.530 -5.675 -18.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.026 -3.654 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.362 -4.649 -16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.586 -3.153 -17.204 1.00 0.00 H new ATOM 1031 N LYS A 66 17.109 -5.638 -22.354 1.00 0.00 N ATOM 1032 CA LYS A 66 18.212 -4.850 -23.002 1.00 0.00 C ATOM 1033 C LYS A 66 17.855 -3.317 -22.963 1.00 0.00 C ATOM 1034 O LYS A 66 18.602 -2.541 -22.360 1.00 0.00 O ATOM 1035 CB LYS A 66 18.657 -5.302 -24.420 1.00 0.00 C ATOM 1036 CG LYS A 66 19.979 -4.672 -24.892 1.00 0.00 C ATOM 1037 CD LYS A 66 20.409 -5.110 -26.303 1.00 0.00 C ATOM 1038 CE LYS A 66 20.779 -6.598 -26.407 1.00 0.00 C ATOM 1039 NZ LYS A 66 21.227 -6.953 -27.775 1.00 0.00 N ATOM 0 H LYS A 66 17.318 -5.888 -21.387 1.00 0.00 H new ATOM 0 HA LYS A 66 19.098 -5.058 -22.402 1.00 0.00 H new ATOM 0 HB2 LYS A 66 18.760 -6.387 -24.428 1.00 0.00 H new ATOM 0 HB3 LYS A 66 17.872 -5.051 -25.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.880 -3.587 -24.873 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.767 -4.932 -24.185 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.600 -4.897 -27.001 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.264 -4.510 -26.614 1.00 0.00 H new ATOM 0 HE2 LYS A 66 21.570 -6.828 -25.693 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.917 -7.208 -26.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.469 -7.964 -27.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.463 -6.756 -28.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.064 -6.388 -28.024 1.00 0.00 H new ATOM 1053 N GLU A 67 16.739 -2.892 -23.592 1.00 0.00 N ATOM 1054 CA GLU A 67 16.181 -1.521 -23.438 1.00 0.00 C ATOM 1055 C GLU A 67 14.725 -1.599 -22.818 1.00 0.00 C ATOM 1056 O GLU A 67 14.508 -2.159 -21.741 1.00 0.00 O ATOM 1057 CB GLU A 67 16.172 -0.713 -24.755 1.00 0.00 C ATOM 1058 CG GLU A 67 17.569 -0.587 -25.389 1.00 0.00 C ATOM 1059 CD GLU A 67 17.495 0.444 -26.504 1.00 0.00 C ATOM 1060 OE1 GLU A 67 17.408 1.660 -26.176 1.00 0.00 O ATOM 1061 OE2 GLU A 67 17.472 0.051 -27.700 1.00 0.00 O ATOM 0 H GLU A 67 16.196 -3.484 -24.221 1.00 0.00 H new ATOM 0 HA GLU A 67 16.842 -0.983 -22.759 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.498 -1.192 -25.465 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.775 0.283 -24.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.300 -0.284 -24.640 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.896 -1.549 -25.783 1.00 0.00 H new ATOM 1068 N GLU A 68 13.732 -1.033 -23.524 1.00 0.00 N ATOM 1069 CA GLU A 68 12.278 -0.952 -23.204 1.00 0.00 C ATOM 1070 C GLU A 68 11.993 0.153 -22.151 1.00 0.00 C ATOM 1071 O GLU A 68 11.229 1.079 -22.416 1.00 0.00 O ATOM 1072 CB GLU A 68 11.624 -2.266 -22.685 1.00 0.00 C ATOM 1073 CG GLU A 68 10.098 -2.186 -22.456 1.00 0.00 C ATOM 1074 CD GLU A 68 9.711 -3.081 -21.282 1.00 0.00 C ATOM 1075 OE1 GLU A 68 9.734 -4.326 -21.453 1.00 0.00 O ATOM 1076 OE2 GLU A 68 9.424 -2.527 -20.185 1.00 0.00 O ATOM 0 H GLU A 68 13.933 -0.577 -24.414 1.00 0.00 H new ATOM 0 HA GLU A 68 11.827 -0.726 -24.170 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.828 -3.063 -23.400 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.103 -2.548 -21.747 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.803 -1.156 -22.254 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.568 -2.499 -23.356 1.00 0.00 H new ATOM 1083 N ILE A 69 12.593 0.048 -20.962 1.00 0.00 N ATOM 1084 CA ILE A 69 12.353 1.029 -19.849 1.00 0.00 C ATOM 1085 C ILE A 69 13.093 2.408 -20.072 1.00 0.00 C ATOM 1086 O ILE A 69 12.575 3.449 -19.661 1.00 0.00 O ATOM 1087 CB ILE A 69 12.716 0.451 -18.488 1.00 0.00 C ATOM 1088 CG1 ILE A 69 14.212 0.083 -18.299 1.00 0.00 C ATOM 1089 CG2 ILE A 69 11.831 -0.794 -18.302 1.00 0.00 C ATOM 1090 CD1 ILE A 69 15.039 1.155 -17.578 1.00 0.00 C ATOM 0 H ILE A 69 13.249 -0.696 -20.726 1.00 0.00 H new ATOM 0 HA ILE A 69 11.281 1.227 -19.864 1.00 0.00 H new ATOM 0 HB ILE A 69 12.542 1.221 -17.736 1.00 0.00 H new ATOM 0 HG12 ILE A 69 14.277 -0.849 -17.737 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.655 -0.104 -19.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.048 -1.254 -17.338 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.781 -0.503 -18.337 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.036 -1.509 -19.099 1.00 0.00 H new ATOM 0 HD11 ILE A 69 16.072 0.818 -17.488 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.009 2.083 -18.149 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.625 1.327 -16.584 1.00 0.00 H new ATOM 1102 N LYS A 70 14.263 2.430 -20.737 1.00 0.00 N ATOM 1103 CA LYS A 70 14.929 3.675 -21.219 1.00 0.00 C ATOM 1104 C LYS A 70 14.095 4.363 -22.362 1.00 0.00 C ATOM 1105 O LYS A 70 13.920 5.585 -22.348 1.00 0.00 O ATOM 1106 CB LYS A 70 16.305 3.310 -21.831 1.00 0.00 C ATOM 1107 CG LYS A 70 17.172 4.495 -22.301 1.00 0.00 C ATOM 1108 CD LYS A 70 17.940 4.200 -23.602 1.00 0.00 C ATOM 1109 CE LYS A 70 18.979 3.074 -23.488 1.00 0.00 C ATOM 1110 NZ LYS A 70 19.524 2.727 -24.821 1.00 0.00 N ATOM 0 H LYS A 70 14.784 1.583 -20.961 1.00 0.00 H new ATOM 0 HA LYS A 70 15.023 4.349 -20.368 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.870 2.743 -21.091 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.138 2.648 -22.681 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.535 5.367 -22.451 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.883 4.751 -21.516 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.223 3.938 -24.380 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.444 5.111 -23.926 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.789 3.385 -22.828 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.521 2.194 -23.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.050 1.832 -24.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.742 2.623 -25.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.163 3.482 -25.142 1.00 0.00 H new ATOM 1124 N LYS A 71 13.546 3.561 -23.306 1.00 0.00 N ATOM 1125 CA LYS A 71 12.552 4.034 -24.301 1.00 0.00 C ATOM 1126 C LYS A 71 11.232 4.557 -23.638 1.00 0.00 C ATOM 1127 O LYS A 71 10.856 5.672 -23.975 1.00 0.00 O ATOM 1128 CB LYS A 71 12.160 2.950 -25.330 1.00 0.00 C ATOM 1129 CG LYS A 71 13.367 2.352 -26.073 1.00 0.00 C ATOM 1130 CD LYS A 71 12.952 1.481 -27.273 1.00 0.00 C ATOM 1131 CE LYS A 71 14.100 0.672 -27.893 1.00 0.00 C ATOM 1132 NZ LYS A 71 15.223 1.533 -28.330 1.00 0.00 N ATOM 0 H LYS A 71 13.778 2.572 -23.399 1.00 0.00 H new ATOM 0 HA LYS A 71 13.060 4.852 -24.811 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.624 2.150 -24.819 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.472 3.381 -26.057 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.011 3.160 -26.421 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.955 1.751 -25.379 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.169 0.793 -26.954 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.519 2.123 -28.041 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.464 -0.054 -27.166 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.724 0.108 -28.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.082 0.956 -28.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.987 1.975 -29.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.390 2.273 -27.619 1.00 0.00 H new ATOM 1146 N MET A 72 10.559 3.851 -22.692 1.00 0.00 N ATOM 1147 CA MET A 72 9.324 4.384 -22.019 1.00 0.00 C ATOM 1148 C MET A 72 9.541 5.748 -21.259 1.00 0.00 C ATOM 1149 O MET A 72 8.725 6.659 -21.449 1.00 0.00 O ATOM 1150 CB MET A 72 8.667 3.389 -21.024 1.00 0.00 C ATOM 1151 CG MET A 72 7.517 2.545 -21.620 1.00 0.00 C ATOM 1152 SD MET A 72 7.997 1.124 -22.649 1.00 0.00 S ATOM 1153 CE MET A 72 7.906 1.924 -24.274 1.00 0.00 C ATOM 0 H MET A 72 10.839 2.923 -22.375 1.00 0.00 H new ATOM 0 HA MET A 72 8.654 4.546 -22.863 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.435 2.715 -20.644 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.284 3.949 -20.171 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.903 2.178 -20.798 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.887 3.202 -22.220 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.118 1.191 -25.053 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.907 2.333 -24.423 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.639 2.729 -24.325 1.00 0.00 H new ATOM 1163 N ILE A 73 10.621 5.923 -20.443 1.00 0.00 N ATOM 1164 CA ILE A 73 10.917 7.229 -19.758 1.00 0.00 C ATOM 1165 C ILE A 73 11.234 8.394 -20.771 1.00 0.00 C ATOM 1166 O ILE A 73 10.632 9.461 -20.646 1.00 0.00 O ATOM 1167 CB ILE A 73 12.039 7.101 -18.727 1.00 0.00 C ATOM 1168 CG1 ILE A 73 11.736 5.993 -17.678 1.00 0.00 C ATOM 1169 CG2 ILE A 73 12.315 8.458 -18.035 1.00 0.00 C ATOM 1170 CD1 ILE A 73 10.530 6.260 -16.767 1.00 0.00 C ATOM 0 H ILE A 73 11.298 5.187 -20.241 1.00 0.00 H new ATOM 0 HA ILE A 73 10.000 7.493 -19.231 1.00 0.00 H new ATOM 0 HB ILE A 73 12.940 6.803 -19.264 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.571 5.053 -18.205 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.619 5.857 -17.053 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.117 8.339 -17.307 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.610 9.194 -18.783 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.412 8.798 -17.528 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.406 5.428 -16.074 1.00 0.00 H new ATOM 0 HD12 ILE A 73 10.695 7.179 -16.205 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.631 6.363 -17.374 1.00 0.00 H new ATOM 1182 N SER A 74 12.115 8.202 -21.779 1.00 0.00 N ATOM 1183 CA SER A 74 12.360 9.222 -22.845 1.00 0.00 C ATOM 1184 C SER A 74 11.210 9.458 -23.896 1.00 0.00 C ATOM 1185 O SER A 74 11.190 10.496 -24.565 1.00 0.00 O ATOM 1186 CB SER A 74 13.630 8.877 -23.656 1.00 0.00 C ATOM 1187 OG SER A 74 14.746 8.718 -22.789 1.00 0.00 O ATOM 0 H SER A 74 12.672 7.354 -21.884 1.00 0.00 H new ATOM 0 HA SER A 74 12.448 10.140 -22.263 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.469 7.960 -24.223 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.833 9.667 -24.379 1.00 0.00 H new ATOM 0 HG SER A 74 14.766 7.800 -22.446 1.00 0.00 H new ATOM 1193 N GLU A 75 10.276 8.511 -24.058 1.00 0.00 N ATOM 1194 CA GLU A 75 9.072 8.635 -24.919 1.00 0.00 C ATOM 1195 C GLU A 75 7.940 9.503 -24.273 1.00 0.00 C ATOM 1196 O GLU A 75 7.596 10.530 -24.873 1.00 0.00 O ATOM 1197 CB GLU A 75 8.511 7.228 -25.244 1.00 0.00 C ATOM 1198 CG GLU A 75 7.329 7.160 -26.226 1.00 0.00 C ATOM 1199 CD GLU A 75 7.091 5.695 -26.582 1.00 0.00 C ATOM 1200 OE1 GLU A 75 6.855 4.879 -25.651 1.00 0.00 O ATOM 1201 OE2 GLU A 75 7.171 5.344 -27.792 1.00 0.00 O ATOM 0 H GLU A 75 10.330 7.609 -23.584 1.00 0.00 H new ATOM 0 HA GLU A 75 9.391 9.144 -25.829 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.323 6.624 -25.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.202 6.761 -24.309 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.435 7.592 -25.776 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.546 7.739 -27.123 1.00 0.00 H new ATOM 1208 N ILE A 76 7.371 9.144 -23.094 1.00 0.00 N ATOM 1209 CA ILE A 76 6.264 9.941 -22.454 1.00 0.00 C ATOM 1210 C ILE A 76 6.748 11.213 -21.651 1.00 0.00 C ATOM 1211 O ILE A 76 5.960 12.163 -21.532 1.00 0.00 O ATOM 1212 CB ILE A 76 5.366 9.054 -21.587 1.00 0.00 C ATOM 1213 CG1 ILE A 76 5.229 7.642 -22.223 1.00 0.00 C ATOM 1214 CG2 ILE A 76 3.984 9.729 -21.424 1.00 0.00 C ATOM 1215 CD1 ILE A 76 4.203 6.738 -21.533 1.00 0.00 C ATOM 0 H ILE A 76 7.649 8.319 -22.563 1.00 0.00 H new ATOM 0 HA ILE A 76 5.680 10.330 -23.288 1.00 0.00 H new ATOM 0 HB ILE A 76 5.814 8.932 -20.601 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.951 7.754 -23.271 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.202 7.151 -22.202 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.342 9.100 -20.807 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.108 10.701 -20.946 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.527 9.863 -22.404 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.170 5.773 -22.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.489 6.592 -20.491 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.219 7.205 -21.577 1.00 0.00 H new ATOM 1227 N ASP A 77 7.972 11.250 -21.073 1.00 0.00 N ATOM 1228 CA ASP A 77 8.564 12.501 -20.506 1.00 0.00 C ATOM 1229 C ASP A 77 9.383 13.222 -21.633 1.00 0.00 C ATOM 1230 O ASP A 77 10.237 12.621 -22.297 1.00 0.00 O ATOM 1231 CB ASP A 77 9.476 12.277 -19.270 1.00 0.00 C ATOM 1232 CG ASP A 77 9.745 13.581 -18.507 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.273 14.660 -18.959 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.405 13.505 -17.439 1.00 0.00 O ATOM 0 H ASP A 77 8.574 10.432 -20.984 1.00 0.00 H new ATOM 0 HA ASP A 77 7.731 13.109 -20.154 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.008 11.556 -18.600 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.423 11.844 -19.592 1.00 0.00 H new ATOM 1239 N LYS A 78 9.062 14.503 -21.878 1.00 0.00 N ATOM 1240 CA LYS A 78 9.606 15.281 -23.022 1.00 0.00 C ATOM 1241 C LYS A 78 10.418 16.550 -22.628 1.00 0.00 C ATOM 1242 O LYS A 78 11.595 16.644 -22.983 1.00 0.00 O ATOM 1243 CB LYS A 78 8.474 15.670 -24.010 1.00 0.00 C ATOM 1244 CG LYS A 78 8.883 15.688 -25.497 1.00 0.00 C ATOM 1245 CD LYS A 78 8.750 14.329 -26.220 1.00 0.00 C ATOM 1246 CE LYS A 78 9.753 13.257 -25.765 1.00 0.00 C ATOM 1247 NZ LYS A 78 9.541 11.957 -26.437 1.00 0.00 N ATOM 0 H LYS A 78 8.418 15.036 -21.293 1.00 0.00 H new ATOM 0 HA LYS A 78 10.318 14.608 -23.501 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.647 14.971 -23.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.100 16.658 -23.740 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.271 16.423 -26.019 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.917 16.024 -25.571 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.740 13.949 -26.068 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.872 14.490 -27.291 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.766 13.604 -25.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.670 13.122 -24.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.354 11.335 -26.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.676 11.513 -26.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.444 12.108 -27.461 1.00 0.00 H new ATOM 1261 N GLU A 79 9.798 17.514 -21.931 1.00 0.00 N ATOM 1262 CA GLU A 79 10.495 18.730 -21.422 1.00 0.00 C ATOM 1263 C GLU A 79 10.938 18.540 -19.930 1.00 0.00 C ATOM 1264 O GLU A 79 12.123 18.662 -19.609 1.00 0.00 O ATOM 1265 CB GLU A 79 9.557 19.961 -21.504 1.00 0.00 C ATOM 1266 CG GLU A 79 10.237 21.321 -21.248 1.00 0.00 C ATOM 1267 CD GLU A 79 11.232 21.618 -22.367 1.00 0.00 C ATOM 1268 OE1 GLU A 79 10.790 21.677 -23.545 1.00 0.00 O ATOM 1269 OE2 GLU A 79 12.442 21.782 -22.060 1.00 0.00 O ATOM 0 H GLU A 79 8.805 17.484 -21.699 1.00 0.00 H new ATOM 0 HA GLU A 79 11.376 18.889 -22.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.097 19.983 -22.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.752 19.833 -20.781 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.486 22.110 -21.197 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.750 21.307 -20.286 1.00 0.00 H new ATOM 1276 N GLY A 80 9.993 18.219 -19.026 1.00 0.00 N ATOM 1277 CA GLY A 80 10.315 17.793 -17.641 1.00 0.00 C ATOM 1278 C GLY A 80 9.094 17.439 -16.766 1.00 0.00 C ATOM 1279 O GLY A 80 8.969 17.960 -15.656 1.00 0.00 O ATOM 0 H GLY A 80 8.993 18.245 -19.227 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.973 16.925 -17.688 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.874 18.591 -17.152 1.00 0.00 H new ATOM 1283 N THR A 81 8.205 16.556 -17.257 1.00 0.00 N ATOM 1284 CA THR A 81 7.042 16.039 -16.468 1.00 0.00 C ATOM 1285 C THR A 81 6.768 14.547 -16.843 1.00 0.00 C ATOM 1286 O THR A 81 6.081 14.272 -17.835 1.00 0.00 O ATOM 1287 CB THR A 81 5.751 16.837 -16.683 1.00 0.00 C ATOM 1288 OG1 THR A 81 5.567 17.175 -18.055 1.00 0.00 O ATOM 1289 CG2 THR A 81 5.767 18.130 -15.841 1.00 0.00 C ATOM 0 H THR A 81 8.260 16.176 -18.202 1.00 0.00 H new ATOM 0 HA THR A 81 7.321 16.142 -15.419 1.00 0.00 H new ATOM 0 HB THR A 81 4.923 16.203 -16.366 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.639 16.366 -18.604 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.843 18.683 -16.007 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.853 17.875 -14.785 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.616 18.746 -16.136 1.00 0.00 H new ATOM 1297 N GLY A 82 7.204 13.579 -16.009 1.00 0.00 N ATOM 1298 CA GLY A 82 7.003 12.138 -16.293 1.00 0.00 C ATOM 1299 C GLY A 82 5.777 11.537 -15.590 1.00 0.00 C ATOM 1300 O GLY A 82 5.758 11.285 -14.383 1.00 0.00 O ATOM 0 H GLY A 82 7.696 13.766 -15.136 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.898 12.000 -17.369 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.893 11.588 -15.986 1.00 0.00 H new ATOM 1304 N LYS A 83 4.786 11.259 -16.424 1.00 0.00 N ATOM 1305 CA LYS A 83 3.468 10.709 -16.009 1.00 0.00 C ATOM 1306 C LYS A 83 2.921 9.671 -17.026 1.00 0.00 C ATOM 1307 O LYS A 83 3.327 9.621 -18.194 1.00 0.00 O ATOM 1308 CB LYS A 83 2.385 11.802 -15.782 1.00 0.00 C ATOM 1309 CG LYS A 83 1.789 12.524 -17.019 1.00 0.00 C ATOM 1310 CD LYS A 83 2.728 13.457 -17.812 1.00 0.00 C ATOM 1311 CE LYS A 83 3.282 12.837 -19.109 1.00 0.00 C ATOM 1312 NZ LYS A 83 4.223 13.748 -19.806 1.00 0.00 N ATOM 0 H LYS A 83 4.859 11.406 -17.431 1.00 0.00 H new ATOM 0 HA LYS A 83 3.665 10.220 -15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.560 11.343 -15.237 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.814 12.562 -15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.411 11.765 -17.703 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.932 13.110 -16.687 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.189 14.371 -18.060 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.563 13.743 -17.173 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.790 11.902 -18.875 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.455 12.592 -19.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.784 13.207 -20.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.686 14.488 -20.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.859 14.188 -19.111 1.00 0.00 H new ATOM 1326 N MET A 84 1.963 8.851 -16.578 1.00 0.00 N ATOM 1327 CA MET A 84 1.261 7.900 -17.463 1.00 0.00 C ATOM 1328 C MET A 84 -0.218 7.749 -17.028 1.00 0.00 C ATOM 1329 O MET A 84 -0.495 7.362 -15.892 1.00 0.00 O ATOM 1330 CB MET A 84 1.929 6.500 -17.466 1.00 0.00 C ATOM 1331 CG MET A 84 1.241 5.448 -18.357 1.00 0.00 C ATOM 1332 SD MET A 84 2.002 3.804 -18.265 1.00 0.00 S ATOM 1333 CE MET A 84 3.183 3.974 -19.630 1.00 0.00 C ATOM 0 H MET A 84 1.652 8.823 -15.607 1.00 0.00 H new ATOM 0 HA MET A 84 1.317 8.309 -18.472 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.963 6.609 -17.792 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.955 6.125 -16.443 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.193 5.370 -18.068 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.262 5.791 -19.391 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.679 3.019 -19.803 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.654 4.277 -20.533 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.927 4.728 -19.375 1.00 0.00 H new ATOM 1343 N ASN A 85 -1.145 7.914 -17.978 1.00 0.00 N ATOM 1344 CA ASN A 85 -2.582 7.581 -17.785 1.00 0.00 C ATOM 1345 C ASN A 85 -2.849 6.190 -18.395 1.00 0.00 C ATOM 1346 O ASN A 85 -2.089 5.627 -19.189 1.00 0.00 O ATOM 1347 CB ASN A 85 -3.566 8.652 -18.347 1.00 0.00 C ATOM 1348 CG ASN A 85 -3.092 9.213 -19.695 1.00 0.00 C ATOM 1349 OD1 ASN A 85 -2.139 9.999 -19.729 1.00 0.00 O ATOM 1350 ND2 ASN A 85 -3.753 8.802 -20.814 1.00 0.00 N ATOM 0 H ASN A 85 -0.932 8.281 -18.906 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.778 7.570 -16.713 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.555 8.210 -18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.665 9.466 -17.629 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.466 9.145 -21.731 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.535 8.151 -20.735 1.00 0.00 H new ATOM 1357 N PHE A 86 -3.986 5.625 -17.995 1.00 0.00 N ATOM 1358 CA PHE A 86 -4.411 4.286 -18.509 1.00 0.00 C ATOM 1359 C PHE A 86 -4.729 4.236 -20.051 1.00 0.00 C ATOM 1360 O PHE A 86 -4.780 3.143 -20.625 1.00 0.00 O ATOM 1361 CB PHE A 86 -5.684 3.851 -17.726 1.00 0.00 C ATOM 1362 CG PHE A 86 -5.941 2.361 -17.690 1.00 0.00 C ATOM 1363 CD1 PHE A 86 -4.960 1.474 -17.214 1.00 0.00 C ATOM 1364 CD2 PHE A 86 -7.208 1.848 -18.022 1.00 0.00 C ATOM 1365 CE1 PHE A 86 -5.241 0.112 -17.049 1.00 0.00 C ATOM 1366 CE2 PHE A 86 -7.490 0.484 -17.871 1.00 0.00 C ATOM 1367 CZ PHE A 86 -6.509 -0.383 -17.375 1.00 0.00 C ATOM 0 H PHE A 86 -4.632 6.049 -17.329 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.566 3.615 -18.357 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.603 4.214 -16.702 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.550 4.342 -18.170 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.976 1.848 -16.972 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.972 2.513 -18.397 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.481 -0.555 -16.671 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.464 0.101 -18.137 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.730 -1.432 -17.244 1.00 0.00 H new ATOM 1377 N GLY A 87 -4.990 5.394 -20.699 1.00 0.00 N ATOM 1378 CA GLY A 87 -5.078 5.485 -22.176 1.00 0.00 C ATOM 1379 C GLY A 87 -3.683 5.374 -22.847 1.00 0.00 C ATOM 1380 O GLY A 87 -3.511 4.552 -23.748 1.00 0.00 O ATOM 0 H GLY A 87 -5.144 6.282 -20.221 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.725 4.692 -22.551 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.540 6.432 -22.454 1.00 0.00 H new ATOM 1384 N ASP A 88 -2.675 6.121 -22.350 1.00 0.00 N ATOM 1385 CA ASP A 88 -1.254 5.954 -22.731 1.00 0.00 C ATOM 1386 C ASP A 88 -0.663 4.529 -22.404 1.00 0.00 C ATOM 1387 O ASP A 88 -0.048 3.925 -23.286 1.00 0.00 O ATOM 1388 CB ASP A 88 -0.327 6.996 -22.047 1.00 0.00 C ATOM 1389 CG ASP A 88 -0.483 8.369 -22.705 1.00 0.00 C ATOM 1390 OD1 ASP A 88 -1.635 8.873 -22.785 1.00 0.00 O ATOM 1391 OD2 ASP A 88 0.557 8.929 -23.141 1.00 0.00 O ATOM 0 H ASP A 88 -2.824 6.864 -21.667 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.268 6.097 -23.811 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.569 7.065 -20.986 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.710 6.669 -22.117 1.00 0.00 H new ATOM 1396 N PHE A 89 -0.910 3.955 -21.202 1.00 0.00 N ATOM 1397 CA PHE A 89 -0.589 2.546 -20.844 1.00 0.00 C ATOM 1398 C PHE A 89 -1.139 1.454 -21.814 1.00 0.00 C ATOM 1399 O PHE A 89 -0.357 0.644 -22.320 1.00 0.00 O ATOM 1400 CB PHE A 89 -1.020 2.172 -19.395 1.00 0.00 C ATOM 1401 CG PHE A 89 -0.310 0.954 -18.815 1.00 0.00 C ATOM 1402 CD1 PHE A 89 1.020 0.598 -19.139 1.00 0.00 C ATOM 1403 CD2 PHE A 89 -0.982 0.179 -17.853 1.00 0.00 C ATOM 1404 CE1 PHE A 89 1.650 -0.484 -18.512 1.00 0.00 C ATOM 1405 CE2 PHE A 89 -0.348 -0.895 -17.218 1.00 0.00 C ATOM 1406 CZ PHE A 89 0.967 -1.230 -17.548 1.00 0.00 C ATOM 0 H PHE A 89 -1.347 4.467 -20.436 1.00 0.00 H new ATOM 0 HA PHE A 89 0.497 2.538 -20.932 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.837 3.027 -18.744 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.094 1.988 -19.386 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.558 1.169 -19.881 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.005 0.417 -17.600 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.665 -0.742 -18.774 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.878 -1.467 -16.470 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.454 -2.062 -17.060 1.00 0.00 H new ATOM 1416 N LEU A 90 -2.453 1.443 -22.101 1.00 0.00 N ATOM 1417 CA LEU A 90 -3.046 0.453 -23.052 1.00 0.00 C ATOM 1418 C LEU A 90 -2.719 0.709 -24.556 1.00 0.00 C ATOM 1419 O LEU A 90 -2.446 -0.266 -25.254 1.00 0.00 O ATOM 1420 CB LEU A 90 -4.595 0.375 -22.965 1.00 0.00 C ATOM 1421 CG LEU A 90 -5.135 -0.588 -21.880 1.00 0.00 C ATOM 1422 CD1 LEU A 90 -4.807 -0.156 -20.444 1.00 0.00 C ATOM 1423 CD2 LEU A 90 -6.653 -0.801 -22.040 1.00 0.00 C ATOM 0 H LEU A 90 -3.127 2.095 -21.700 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.578 -0.476 -22.726 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.985 1.374 -22.771 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.984 0.063 -23.934 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.614 -1.532 -22.041 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.219 -0.882 -19.743 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.726 -0.103 -20.318 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.243 0.824 -20.250 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.009 -1.481 -21.266 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.167 0.156 -21.946 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.859 -1.228 -23.021 1.00 0.00 H new ATOM 1435 N THR A 91 -2.676 1.958 -25.059 1.00 0.00 N ATOM 1436 CA THR A 91 -2.154 2.256 -26.435 1.00 0.00 C ATOM 1437 C THR A 91 -0.672 1.788 -26.654 1.00 0.00 C ATOM 1438 O THR A 91 -0.418 1.011 -27.580 1.00 0.00 O ATOM 1439 CB THR A 91 -2.320 3.695 -26.905 1.00 0.00 C ATOM 1440 OG1 THR A 91 -1.701 4.629 -26.027 1.00 0.00 O ATOM 1441 CG2 THR A 91 -3.828 4.008 -27.015 1.00 0.00 C ATOM 0 H THR A 91 -2.991 2.782 -24.547 1.00 0.00 H new ATOM 0 HA THR A 91 -2.809 1.654 -27.064 1.00 0.00 H new ATOM 0 HB THR A 91 -1.829 3.793 -27.873 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.216 4.687 -25.195 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.963 5.036 -27.351 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.289 3.329 -27.732 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.298 3.880 -26.040 1.00 0.00 H new ATOM 1449 N VAL A 92 0.282 2.205 -25.796 1.00 0.00 N ATOM 1450 CA VAL A 92 1.725 1.835 -25.947 1.00 0.00 C ATOM 1451 C VAL A 92 2.026 0.306 -25.750 1.00 0.00 C ATOM 1452 O VAL A 92 2.702 -0.277 -26.604 1.00 0.00 O ATOM 1453 CB VAL A 92 2.639 2.750 -25.123 1.00 0.00 C ATOM 1454 CG1 VAL A 92 2.687 2.386 -23.625 1.00 0.00 C ATOM 1455 CG2 VAL A 92 4.048 2.777 -25.741 1.00 0.00 C ATOM 0 H VAL A 92 0.090 2.798 -24.989 1.00 0.00 H new ATOM 0 HA VAL A 92 1.967 2.013 -26.995 1.00 0.00 H new ATOM 0 HB VAL A 92 2.208 3.751 -25.163 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.352 3.075 -23.104 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.686 2.459 -23.201 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.057 1.367 -23.510 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.692 3.429 -25.151 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.461 1.768 -25.748 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.990 3.153 -26.763 1.00 0.00 H new ATOM 1465 N MET A 93 1.516 -0.354 -24.686 1.00 0.00 N ATOM 1466 CA MET A 93 1.700 -1.826 -24.487 1.00 0.00 C ATOM 1467 C MET A 93 0.940 -2.721 -25.523 1.00 0.00 C ATOM 1468 O MET A 93 1.579 -3.621 -26.069 1.00 0.00 O ATOM 1469 CB MET A 93 1.337 -2.315 -23.060 1.00 0.00 C ATOM 1470 CG MET A 93 2.547 -2.347 -22.101 1.00 0.00 C ATOM 1471 SD MET A 93 3.373 -0.752 -21.824 1.00 0.00 S ATOM 1472 CE MET A 93 4.958 -1.467 -21.302 1.00 0.00 C ATOM 0 H MET A 93 0.975 0.099 -23.950 1.00 0.00 H new ATOM 0 HA MET A 93 2.771 -1.949 -24.646 1.00 0.00 H new ATOM 0 HB2 MET A 93 0.569 -1.663 -22.644 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.906 -3.314 -23.124 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.215 -2.735 -21.138 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.280 -3.052 -22.493 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.659 -0.666 -21.068 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.805 -2.085 -20.417 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.363 -2.080 -22.107 1.00 0.00 H new ATOM 1482 N THR A 94 -0.359 -2.510 -25.829 1.00 0.00 N ATOM 1483 CA THR A 94 -1.077 -3.295 -26.893 1.00 0.00 C ATOM 1484 C THR A 94 -0.455 -3.131 -28.325 1.00 0.00 C ATOM 1485 O THR A 94 -0.190 -4.159 -28.955 1.00 0.00 O ATOM 1486 CB THR A 94 -2.592 -3.128 -26.941 1.00 0.00 C ATOM 1487 OG1 THR A 94 -3.004 -1.821 -27.323 1.00 0.00 O ATOM 1488 CG2 THR A 94 -3.198 -3.499 -25.569 1.00 0.00 C ATOM 0 H THR A 94 -0.940 -1.811 -25.366 1.00 0.00 H new ATOM 0 HA THR A 94 -0.910 -4.320 -26.563 1.00 0.00 H new ATOM 0 HB THR A 94 -2.962 -3.803 -27.713 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.019 -1.239 -26.535 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.281 -3.379 -25.605 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.955 -4.535 -25.332 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.786 -2.845 -24.800 1.00 0.00 H new ATOM 1496 N GLN A 95 -0.191 -1.899 -28.828 1.00 0.00 N ATOM 1497 CA GLN A 95 0.538 -1.695 -30.117 1.00 0.00 C ATOM 1498 C GLN A 95 1.990 -2.289 -30.187 1.00 0.00 C ATOM 1499 O GLN A 95 2.347 -2.851 -31.224 1.00 0.00 O ATOM 1500 CB GLN A 95 0.643 -0.182 -30.430 1.00 0.00 C ATOM 1501 CG GLN A 95 1.132 0.153 -31.851 1.00 0.00 C ATOM 1502 CD GLN A 95 1.182 1.674 -32.034 1.00 0.00 C ATOM 1503 OE1 GLN A 95 0.969 2.442 -31.089 1.00 0.00 O ATOM 1504 NE2 GLN A 95 1.481 2.111 -33.292 1.00 0.00 N ATOM 0 H GLN A 95 -0.468 -1.032 -28.367 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.060 -2.242 -30.846 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.336 0.274 -30.281 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.321 0.277 -29.710 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.120 -0.276 -32.017 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.464 -0.290 -32.590 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.649 1.437 -34.039 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.537 3.111 -33.485 1.00 0.00 H new ATOM 1513 N LYS A 96 2.817 -2.176 -29.130 1.00 0.00 N ATOM 1514 CA LYS A 96 4.177 -2.806 -29.103 1.00 0.00 C ATOM 1515 C LYS A 96 4.222 -4.345 -28.775 1.00 0.00 C ATOM 1516 O LYS A 96 5.120 -5.009 -29.302 1.00 0.00 O ATOM 1517 CB LYS A 96 5.145 -2.024 -28.185 1.00 0.00 C ATOM 1518 CG LYS A 96 5.318 -0.573 -28.681 1.00 0.00 C ATOM 1519 CD LYS A 96 6.254 0.302 -27.833 1.00 0.00 C ATOM 1520 CE LYS A 96 6.334 1.740 -28.376 1.00 0.00 C ATOM 1521 NZ LYS A 96 7.152 2.617 -27.511 1.00 0.00 N ATOM 0 H LYS A 96 2.581 -1.660 -28.282 1.00 0.00 H new ATOM 0 HA LYS A 96 4.511 -2.738 -30.138 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.763 -2.021 -27.164 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.114 -2.523 -28.161 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.697 -0.598 -29.703 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.337 -0.099 -28.717 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.900 0.321 -26.802 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.251 -0.138 -27.820 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.758 1.725 -29.380 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.328 2.151 -28.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.235 3.557 -27.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.698 2.708 -26.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.100 2.204 -27.395 1.00 0.00 H new ATOM 1535 N MET A 97 3.318 -4.937 -27.963 1.00 0.00 N ATOM 1536 CA MET A 97 3.214 -6.425 -27.807 1.00 0.00 C ATOM 1537 C MET A 97 2.584 -7.173 -29.036 1.00 0.00 C ATOM 1538 O MET A 97 3.233 -8.074 -29.575 1.00 0.00 O ATOM 1539 CB MET A 97 2.355 -6.817 -26.578 1.00 0.00 C ATOM 1540 CG MET A 97 2.987 -6.442 -25.223 1.00 0.00 C ATOM 1541 SD MET A 97 1.867 -6.720 -23.814 1.00 0.00 S ATOM 1542 CE MET A 97 3.076 -6.382 -22.502 1.00 0.00 C ATOM 0 H MET A 97 2.645 -4.416 -27.401 1.00 0.00 H new ATOM 0 HA MET A 97 4.254 -6.734 -27.697 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.382 -6.333 -26.659 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.179 -7.892 -26.599 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.896 -7.026 -25.078 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.282 -5.393 -25.244 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.589 -6.461 -21.530 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.889 -7.106 -22.561 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.477 -5.376 -22.627 1.00 0.00 H new ATOM 1552 N SER A 98 1.325 -6.877 -29.421 1.00 0.00 N ATOM 1553 CA SER A 98 0.678 -7.473 -30.621 1.00 0.00 C ATOM 1554 C SER A 98 1.042 -6.832 -32.004 1.00 0.00 C ATOM 1555 O SER A 98 0.694 -5.640 -32.200 1.00 0.00 O ATOM 1556 CB SER A 98 -0.861 -7.432 -30.488 1.00 0.00 C ATOM 1557 OG SER A 98 -1.474 -8.147 -31.552 1.00 0.00 O ATOM 1558 OXT SER A 98 1.618 -7.550 -32.859 1.00 0.00 O ATOM 0 H SER A 98 0.727 -6.223 -28.916 1.00 0.00 H new ATOM 0 HA SER A 98 1.077 -8.487 -30.633 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.161 -7.863 -29.533 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.204 -6.398 -30.492 1.00 0.00 H new ATOM 0 HG SER A 98 -2.448 -8.112 -31.451 1.00 0.00 H new