USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 Single : A 24 MET CE :methyl 160:sc= -0.093 (180deg=-0.533) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0418 USER MOD Single : A 30 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.041) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00977 K(o=-0.0098,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 137:sc= -0.943 (180deg=-2.72!) USER MOD Single : A 38 MET CE :methyl -169:sc= -1.17 (180deg=-1.55) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.0583 K(o=0.058,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= 0.0393 (180deg=-0.777) USER MOD Single : A 70 SER OG : rot -109:sc= 1.58 USER MOD Single : A 72 LYS NZ :NH3+ -125:sc= 0.157 (180deg=0.0786) USER MOD Single : A 76 THR OG1 : rot -56:sc= 0.314 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.0315 (180deg=-0.258) USER MOD Single : A 90 MET CE :methyl 172:sc= -4! (180deg=-4.17!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 0.879 (180deg=0.14) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -11.521 8.706 0.236 1.00 4.14 N ATOM 369 CA MET A 24 -11.089 7.309 0.056 1.00 43.52 C ATOM 370 C MET A 24 -9.652 7.122 0.640 1.00 33.22 C ATOM 371 O MET A 24 -9.475 7.274 1.853 1.00 60.24 O ATOM 372 CB MET A 24 -11.189 6.918 -1.441 1.00 22.11 C ATOM 373 CG MET A 24 -12.610 6.860 -2.008 1.00 4.24 C ATOM 374 SD MET A 24 -13.397 8.465 -2.220 1.00 33.20 S ATOM 375 CE MET A 24 -12.343 9.240 -3.431 1.00 54.43 C ATOM 0 HA MET A 24 -11.746 6.635 0.605 1.00 43.52 H new ATOM 0 HB2 MET A 24 -10.611 7.633 -2.026 1.00 22.11 H new ATOM 0 HB3 MET A 24 -10.721 5.943 -1.577 1.00 22.11 H new ATOM 0 HG2 MET A 24 -12.582 6.353 -2.973 1.00 4.24 H new ATOM 0 HG3 MET A 24 -13.227 6.252 -1.346 1.00 4.24 H new ATOM 0 HE1 MET A 24 -12.881 10.057 -3.912 1.00 54.43 H new ATOM 0 HE2 MET A 24 -11.452 9.631 -2.940 1.00 54.43 H new ATOM 0 HE3 MET A 24 -12.051 8.506 -4.182 1.00 54.43 H new ATOM 385 N GLY A 25 -8.633 6.830 -0.225 1.00 33.12 N ATOM 386 CA GLY A 25 -7.241 6.578 0.190 1.00 10.44 C ATOM 387 C GLY A 25 -7.060 5.342 1.066 1.00 20.23 C ATOM 388 O GLY A 25 -6.681 4.272 0.576 1.00 40.14 O ATOM 0 H GLY A 25 -8.769 6.766 -1.234 1.00 33.12 H new ATOM 0 HA2 GLY A 25 -6.622 6.471 -0.701 1.00 10.44 H new ATOM 0 HA3 GLY A 25 -6.872 7.449 0.731 1.00 10.44 H new ATOM 392 N ARG A 26 -7.364 5.516 2.367 1.00 24.22 N ATOM 393 CA ARG A 26 -7.185 4.503 3.433 1.00 72.11 C ATOM 394 C ARG A 26 -7.892 3.167 3.126 1.00 52.43 C ATOM 395 O ARG A 26 -7.419 2.112 3.544 1.00 32.12 O ATOM 396 CB ARG A 26 -7.702 5.072 4.791 1.00 22.14 C ATOM 397 CG ARG A 26 -6.845 6.220 5.378 1.00 21.04 C ATOM 398 CD ARG A 26 -5.486 5.743 5.949 1.00 31.25 C ATOM 399 NE ARG A 26 -4.634 6.867 6.372 1.00 31.33 N ATOM 400 CZ ARG A 26 -3.578 6.778 7.195 1.00 25.43 C ATOM 401 NH1 ARG A 26 -3.207 5.606 7.724 1.00 65.43 N ATOM 402 NH2 ARG A 26 -2.862 7.865 7.451 1.00 31.32 N ATOM 0 H ARG A 26 -7.753 6.391 2.719 1.00 24.22 H new ATOM 0 HA ARG A 26 -6.118 4.289 3.490 1.00 72.11 H new ATOM 0 HB2 ARG A 26 -8.722 5.431 4.654 1.00 22.14 H new ATOM 0 HB3 ARG A 26 -7.744 4.260 5.517 1.00 22.14 H new ATOM 0 HG2 ARG A 26 -6.664 6.962 4.601 1.00 21.04 H new ATOM 0 HG3 ARG A 26 -7.408 6.717 6.168 1.00 21.04 H new ATOM 0 HD2 ARG A 26 -5.662 5.083 6.799 1.00 31.25 H new ATOM 0 HD3 ARG A 26 -4.962 5.157 5.194 1.00 31.25 H new ATOM 0 HE ARG A 26 -4.866 7.791 6.009 1.00 31.33 H new ATOM 0 HH11 ARG A 26 -3.730 4.759 7.504 1.00 65.43 H new ATOM 0 HH12 ARG A 26 -2.401 5.560 8.347 1.00 65.43 H new ATOM 0 HH21 ARG A 26 -3.117 8.756 7.024 1.00 31.32 H new ATOM 0 HH22 ARG A 26 -2.057 7.810 8.075 1.00 31.32 H new ATOM 416 N ALA A 27 -9.025 3.229 2.392 1.00 73.21 N ATOM 417 CA ALA A 27 -9.848 2.041 2.084 1.00 14.24 C ATOM 418 C ALA A 27 -9.064 0.989 1.257 1.00 51.13 C ATOM 419 O ALA A 27 -9.227 -0.204 1.502 1.00 53.21 O ATOM 420 CB ALA A 27 -11.165 2.442 1.392 1.00 24.31 C ATOM 0 H ALA A 27 -9.391 4.096 2.000 1.00 73.21 H new ATOM 0 HA ALA A 27 -10.103 1.568 3.032 1.00 14.24 H new ATOM 0 HB1 ALA A 27 -11.750 1.548 1.177 1.00 24.31 H new ATOM 0 HB2 ALA A 27 -11.735 3.100 2.048 1.00 24.31 H new ATOM 0 HB3 ALA A 27 -10.943 2.962 0.460 1.00 24.31 H new ATOM 426 N LEU A 28 -8.191 1.438 0.304 1.00 2.24 N ATOM 427 CA LEU A 28 -7.333 0.504 -0.479 1.00 44.04 C ATOM 428 C LEU A 28 -6.233 -0.117 0.397 1.00 45.10 C ATOM 429 O LEU A 28 -5.838 -1.266 0.177 1.00 42.31 O ATOM 430 CB LEU A 28 -6.682 1.152 -1.740 1.00 34.41 C ATOM 431 CG LEU A 28 -7.578 1.224 -3.013 1.00 0.15 C ATOM 432 CD1 LEU A 28 -6.813 1.811 -4.211 1.00 1.05 C ATOM 433 CD2 LEU A 28 -8.204 -0.133 -3.355 1.00 64.41 C ATOM 0 H LEU A 28 -8.067 2.422 0.066 1.00 2.24 H new ATOM 0 HA LEU A 28 -8.012 -0.274 -0.829 1.00 44.04 H new ATOM 0 HB2 LEU A 28 -6.369 2.164 -1.483 1.00 34.41 H new ATOM 0 HB3 LEU A 28 -5.780 0.592 -1.987 1.00 34.41 H new ATOM 0 HG LEU A 28 -8.399 1.904 -2.784 1.00 0.15 H new ATOM 0 HD11 LEU A 28 -7.470 1.846 -5.080 1.00 1.05 H new ATOM 0 HD12 LEU A 28 -6.477 2.819 -3.969 1.00 1.05 H new ATOM 0 HD13 LEU A 28 -5.949 1.184 -4.434 1.00 1.05 H new ATOM 0 HD21 LEU A 28 -8.820 -0.035 -4.249 1.00 64.41 H new ATOM 0 HD22 LEU A 28 -7.415 -0.862 -3.537 1.00 64.41 H new ATOM 0 HD23 LEU A 28 -8.823 -0.468 -2.523 1.00 64.41 H new ATOM 445 N TYR A 29 -5.739 0.672 1.372 1.00 23.34 N ATOM 446 CA TYR A 29 -4.712 0.226 2.326 1.00 62.11 C ATOM 447 C TYR A 29 -5.235 -0.977 3.147 1.00 52.14 C ATOM 448 O TYR A 29 -4.509 -1.957 3.343 1.00 11.53 O ATOM 449 CB TYR A 29 -4.277 1.396 3.258 1.00 75.42 C ATOM 450 CG TYR A 29 -3.245 1.005 4.319 1.00 24.32 C ATOM 451 CD1 TYR A 29 -1.961 0.599 3.952 1.00 61.42 C ATOM 452 CD2 TYR A 29 -3.549 1.019 5.691 1.00 71.01 C ATOM 453 CE1 TYR A 29 -1.028 0.229 4.894 1.00 43.24 C ATOM 454 CE2 TYR A 29 -2.610 0.647 6.634 1.00 31.12 C ATOM 455 CZ TYR A 29 -1.352 0.252 6.226 1.00 12.53 C ATOM 456 OH TYR A 29 -0.414 -0.127 7.156 1.00 35.43 O ATOM 0 H TYR A 29 -6.042 1.635 1.518 1.00 23.34 H new ATOM 0 HA TYR A 29 -3.833 -0.096 1.768 1.00 62.11 H new ATOM 0 HB2 TYR A 29 -3.866 2.199 2.646 1.00 75.42 H new ATOM 0 HB3 TYR A 29 -5.160 1.796 3.757 1.00 75.42 H new ATOM 0 HD1 TYR A 29 -1.694 0.575 2.906 1.00 61.42 H new ATOM 0 HD2 TYR A 29 -4.533 1.326 6.014 1.00 71.01 H new ATOM 0 HE1 TYR A 29 -0.041 -0.079 4.584 1.00 43.24 H new ATOM 0 HE2 TYR A 29 -2.859 0.665 7.685 1.00 31.12 H new ATOM 0 HH TYR A 29 -0.797 -0.055 8.055 1.00 35.43 H new ATOM 466 N ASN A 30 -6.516 -0.893 3.580 1.00 34.35 N ATOM 467 CA ASN A 30 -7.185 -1.972 4.347 1.00 21.21 C ATOM 468 C ASN A 30 -7.383 -3.239 3.493 1.00 61.30 C ATOM 469 O ASN A 30 -7.279 -4.356 4.013 1.00 62.40 O ATOM 470 CB ASN A 30 -8.553 -1.514 4.919 1.00 34.12 C ATOM 471 CG ASN A 30 -8.431 -0.422 5.981 1.00 63.00 C ATOM 472 OD1 ASN A 30 -8.155 -0.698 7.147 1.00 42.50 O ATOM 473 ND2 ASN A 30 -8.669 0.818 5.604 1.00 62.44 N ATOM 0 H ASN A 30 -7.111 -0.082 3.409 1.00 34.35 H new ATOM 0 HA ASN A 30 -6.523 -2.209 5.180 1.00 21.21 H new ATOM 0 HB2 ASN A 30 -9.176 -1.149 4.103 1.00 34.12 H new ATOM 0 HB3 ASN A 30 -9.065 -2.374 5.350 1.00 34.12 H new ATOM 0 HD21 ASN A 30 -8.626 1.575 6.286 1.00 62.44 H new ATOM 0 HD22 ASN A 30 -8.896 1.020 4.630 1.00 62.44 H new ATOM 480 N ILE A 31 -7.663 -3.057 2.181 1.00 24.22 N ATOM 481 CA ILE A 31 -7.823 -4.173 1.233 1.00 60.41 C ATOM 482 C ILE A 31 -6.484 -4.920 1.099 1.00 4.31 C ATOM 483 O ILE A 31 -6.448 -6.152 1.133 1.00 12.44 O ATOM 484 CB ILE A 31 -8.337 -3.664 -0.171 1.00 43.42 C ATOM 485 CG1 ILE A 31 -9.736 -2.989 -0.010 1.00 35.12 C ATOM 486 CG2 ILE A 31 -8.382 -4.804 -1.224 1.00 50.11 C ATOM 487 CD1 ILE A 31 -10.279 -2.312 -1.254 1.00 44.05 C ATOM 0 H ILE A 31 -7.783 -2.137 1.757 1.00 24.22 H new ATOM 0 HA ILE A 31 -8.577 -4.860 1.617 1.00 60.41 H new ATOM 0 HB ILE A 31 -7.627 -2.925 -0.543 1.00 43.42 H new ATOM 0 HG12 ILE A 31 -10.451 -3.746 0.312 1.00 35.12 H new ATOM 0 HG13 ILE A 31 -9.674 -2.249 0.788 1.00 35.12 H new ATOM 0 HG21 ILE A 31 -8.741 -4.408 -2.174 1.00 50.11 H new ATOM 0 HG22 ILE A 31 -7.382 -5.216 -1.358 1.00 50.11 H new ATOM 0 HG23 ILE A 31 -9.055 -5.590 -0.881 1.00 50.11 H new ATOM 0 HD11 ILE A 31 -11.254 -1.876 -1.035 1.00 44.05 H new ATOM 0 HD12 ILE A 31 -9.593 -1.526 -1.570 1.00 44.05 H new ATOM 0 HD13 ILE A 31 -10.382 -3.047 -2.053 1.00 44.05 H new ATOM 499 N GLY A 32 -5.387 -4.132 1.012 1.00 64.41 N ATOM 500 CA GLY A 32 -4.030 -4.662 0.912 1.00 40.41 C ATOM 501 C GLY A 32 -3.615 -5.466 2.138 1.00 31.13 C ATOM 502 O GLY A 32 -2.959 -6.506 2.000 1.00 34.14 O ATOM 0 H GLY A 32 -5.430 -3.113 1.010 1.00 64.41 H new ATOM 0 HA2 GLY A 32 -3.957 -5.294 0.027 1.00 40.41 H new ATOM 0 HA3 GLY A 32 -3.332 -3.836 0.772 1.00 40.41 H new ATOM 506 N LEU A 33 -3.994 -4.968 3.344 1.00 65.30 N ATOM 507 CA LEU A 33 -3.728 -5.659 4.632 1.00 71.11 C ATOM 508 C LEU A 33 -4.349 -7.065 4.621 1.00 60.05 C ATOM 509 O LEU A 33 -3.680 -8.043 4.952 1.00 0.21 O ATOM 510 CB LEU A 33 -4.275 -4.836 5.842 1.00 33.00 C ATOM 511 CG LEU A 33 -3.586 -3.459 6.114 1.00 4.15 C ATOM 512 CD1 LEU A 33 -4.306 -2.686 7.241 1.00 60.33 C ATOM 513 CD2 LEU A 33 -2.080 -3.639 6.425 1.00 24.15 C ATOM 0 H LEU A 33 -4.489 -4.083 3.450 1.00 65.30 H new ATOM 0 HA LEU A 33 -2.648 -5.748 4.747 1.00 71.11 H new ATOM 0 HB2 LEU A 33 -5.339 -4.660 5.683 1.00 33.00 H new ATOM 0 HB3 LEU A 33 -4.184 -5.447 6.740 1.00 33.00 H new ATOM 0 HG LEU A 33 -3.665 -2.863 5.205 1.00 4.15 H new ATOM 0 HD11 LEU A 33 -3.804 -1.733 7.407 1.00 60.33 H new ATOM 0 HD12 LEU A 33 -5.342 -2.505 6.954 1.00 60.33 H new ATOM 0 HD13 LEU A 33 -4.281 -3.274 8.159 1.00 60.33 H new ATOM 0 HD21 LEU A 33 -1.628 -2.665 6.610 1.00 24.15 H new ATOM 0 HD22 LEU A 33 -1.963 -4.267 7.308 1.00 24.15 H new ATOM 0 HD23 LEU A 33 -1.587 -4.113 5.576 1.00 24.15 H new ATOM 525 N GLU A 34 -5.624 -7.134 4.174 1.00 3.24 N ATOM 526 CA GLU A 34 -6.389 -8.392 4.069 1.00 41.41 C ATOM 527 C GLU A 34 -5.721 -9.376 3.093 1.00 53.43 C ATOM 528 O GLU A 34 -5.647 -10.577 3.378 1.00 74.21 O ATOM 529 CB GLU A 34 -7.840 -8.110 3.605 1.00 72.35 C ATOM 530 CG GLU A 34 -8.696 -7.283 4.577 1.00 72.11 C ATOM 531 CD GLU A 34 -8.907 -7.990 5.919 1.00 21.15 C ATOM 532 OE1 GLU A 34 -9.788 -8.871 6.009 1.00 70.30 O ATOM 533 OE2 GLU A 34 -8.181 -7.687 6.883 1.00 75.22 O ATOM 0 H GLU A 34 -6.151 -6.313 3.875 1.00 3.24 H new ATOM 0 HA GLU A 34 -6.407 -8.845 5.060 1.00 41.41 H new ATOM 0 HB2 GLU A 34 -7.802 -7.589 2.648 1.00 72.35 H new ATOM 0 HB3 GLU A 34 -8.339 -9.063 3.430 1.00 72.35 H new ATOM 0 HG2 GLU A 34 -8.216 -6.319 4.749 1.00 72.11 H new ATOM 0 HG3 GLU A 34 -9.665 -7.080 4.121 1.00 72.11 H new ATOM 540 N LYS A 35 -5.241 -8.845 1.945 1.00 35.45 N ATOM 541 CA LYS A 35 -4.555 -9.644 0.908 1.00 40.42 C ATOM 542 C LYS A 35 -3.281 -10.285 1.484 1.00 71.35 C ATOM 543 O LYS A 35 -3.053 -11.482 1.309 1.00 15.02 O ATOM 544 CB LYS A 35 -4.200 -8.769 -0.321 1.00 44.21 C ATOM 545 CG LYS A 35 -5.403 -8.162 -1.070 1.00 72.50 C ATOM 546 CD LYS A 35 -6.348 -9.218 -1.685 1.00 54.24 C ATOM 547 CE LYS A 35 -7.525 -8.576 -2.433 1.00 5.31 C ATOM 548 NZ LYS A 35 -8.495 -9.589 -2.926 1.00 62.32 N ATOM 0 H LYS A 35 -5.319 -7.855 1.714 1.00 35.45 H new ATOM 0 HA LYS A 35 -5.234 -10.432 0.584 1.00 40.42 H new ATOM 0 HB2 LYS A 35 -3.551 -7.957 0.007 1.00 44.21 H new ATOM 0 HB3 LYS A 35 -3.624 -9.373 -1.022 1.00 44.21 H new ATOM 0 HG2 LYS A 35 -5.971 -7.536 -0.381 1.00 72.50 H new ATOM 0 HG3 LYS A 35 -5.035 -7.511 -1.863 1.00 72.50 H new ATOM 0 HD2 LYS A 35 -5.785 -9.851 -2.371 1.00 54.24 H new ATOM 0 HD3 LYS A 35 -6.731 -9.865 -0.895 1.00 54.24 H new ATOM 0 HE2 LYS A 35 -8.037 -7.877 -1.771 1.00 5.31 H new ATOM 0 HE3 LYS A 35 -7.146 -7.998 -3.276 1.00 5.31 H new ATOM 0 HZ1 LYS A 35 -9.273 -9.111 -3.425 1.00 62.32 H new ATOM 0 HZ2 LYS A 35 -8.015 -10.241 -3.578 1.00 62.32 H new ATOM 0 HZ3 LYS A 35 -8.877 -10.124 -2.121 1.00 62.32 H new ATOM 562 N ASN A 36 -2.501 -9.471 2.223 1.00 74.14 N ATOM 563 CA ASN A 36 -1.207 -9.891 2.810 1.00 1.43 C ATOM 564 C ASN A 36 -1.429 -10.988 3.871 1.00 52.31 C ATOM 565 O ASN A 36 -0.622 -11.907 4.011 1.00 34.25 O ATOM 566 CB ASN A 36 -0.470 -8.659 3.436 1.00 60.13 C ATOM 567 CG ASN A 36 1.042 -8.873 3.623 1.00 60.15 C ATOM 568 OD1 ASN A 36 1.687 -9.578 2.842 1.00 3.21 O ATOM 569 ND2 ASN A 36 1.618 -8.262 4.649 1.00 43.34 N ATOM 0 H ASN A 36 -2.748 -8.503 2.431 1.00 74.14 H new ATOM 0 HA ASN A 36 -0.581 -10.302 2.018 1.00 1.43 H new ATOM 0 HB2 ASN A 36 -0.629 -7.789 2.799 1.00 60.13 H new ATOM 0 HB3 ASN A 36 -0.918 -8.431 4.403 1.00 60.13 H new ATOM 0 HD21 ASN A 36 2.620 -8.369 4.809 1.00 43.34 H new ATOM 0 HD22 ASN A 36 1.059 -7.685 5.278 1.00 43.34 H new ATOM 576 N LYS A 37 -2.560 -10.874 4.595 1.00 14.14 N ATOM 577 CA LYS A 37 -2.983 -11.853 5.611 1.00 5.52 C ATOM 578 C LYS A 37 -3.471 -13.169 4.980 1.00 71.34 C ATOM 579 O LYS A 37 -3.371 -14.226 5.605 1.00 53.45 O ATOM 580 CB LYS A 37 -4.091 -11.247 6.519 1.00 61.54 C ATOM 581 CG LYS A 37 -3.667 -10.002 7.356 1.00 54.40 C ATOM 582 CD LYS A 37 -2.960 -10.293 8.719 1.00 71.51 C ATOM 583 CE LYS A 37 -1.541 -10.912 8.623 1.00 11.21 C ATOM 584 NZ LYS A 37 -1.568 -12.400 8.526 1.00 40.25 N ATOM 0 H LYS A 37 -3.209 -10.094 4.489 1.00 14.14 H new ATOM 0 HA LYS A 37 -2.109 -12.087 6.219 1.00 5.52 H new ATOM 0 HB2 LYS A 37 -4.939 -10.970 5.892 1.00 61.54 H new ATOM 0 HB3 LYS A 37 -4.440 -12.021 7.203 1.00 61.54 H new ATOM 0 HG2 LYS A 37 -2.999 -9.392 6.748 1.00 54.40 H new ATOM 0 HG3 LYS A 37 -4.556 -9.403 7.553 1.00 54.40 H new ATOM 0 HD2 LYS A 37 -2.892 -9.360 9.278 1.00 71.51 H new ATOM 0 HD3 LYS A 37 -3.592 -10.967 9.298 1.00 71.51 H new ATOM 0 HE2 LYS A 37 -1.029 -10.504 7.751 1.00 11.21 H new ATOM 0 HE3 LYS A 37 -0.961 -10.619 9.498 1.00 11.21 H new ATOM 0 HZ1 LYS A 37 -0.884 -12.714 7.808 1.00 40.25 H new ATOM 0 HZ2 LYS A 37 -1.317 -12.813 9.447 1.00 40.25 H new ATOM 0 HZ3 LYS A 37 -2.522 -12.713 8.255 1.00 40.25 H new ATOM 598 N MET A 38 -4.001 -13.087 3.743 1.00 52.13 N ATOM 599 CA MET A 38 -4.444 -14.270 2.966 1.00 22.33 C ATOM 600 C MET A 38 -3.273 -14.908 2.193 1.00 41.51 C ATOM 601 O MET A 38 -3.468 -15.911 1.492 1.00 71.34 O ATOM 602 CB MET A 38 -5.584 -13.879 1.977 1.00 15.13 C ATOM 603 CG MET A 38 -6.915 -13.516 2.643 1.00 35.02 C ATOM 604 SD MET A 38 -8.231 -13.192 1.454 1.00 73.42 S ATOM 605 CE MET A 38 -7.723 -11.645 0.711 1.00 1.22 C ATOM 0 H MET A 38 -4.135 -12.203 3.253 1.00 52.13 H new ATOM 0 HA MET A 38 -4.823 -15.006 3.675 1.00 22.33 H new ATOM 0 HB2 MET A 38 -5.251 -13.032 1.377 1.00 15.13 H new ATOM 0 HB3 MET A 38 -5.752 -14.709 1.291 1.00 15.13 H new ATOM 0 HG2 MET A 38 -7.220 -14.330 3.301 1.00 35.02 H new ATOM 0 HG3 MET A 38 -6.773 -12.635 3.269 1.00 35.02 H new ATOM 0 HE1 MET A 38 -8.540 -11.244 0.110 1.00 1.22 H new ATOM 0 HE2 MET A 38 -7.465 -10.932 1.494 1.00 1.22 H new ATOM 0 HE3 MET A 38 -6.854 -11.815 0.075 1.00 1.22 H new ATOM 615 N GLY A 39 -2.061 -14.314 2.309 1.00 65.34 N ATOM 616 CA GLY A 39 -0.884 -14.776 1.564 1.00 23.35 C ATOM 617 C GLY A 39 -0.850 -14.267 0.123 1.00 34.20 C ATOM 618 O GLY A 39 0.065 -14.601 -0.637 1.00 11.00 O ATOM 0 H GLY A 39 -1.881 -13.513 2.915 1.00 65.34 H new ATOM 0 HA2 GLY A 39 0.018 -14.448 2.081 1.00 23.35 H new ATOM 0 HA3 GLY A 39 -0.869 -15.866 1.559 1.00 23.35 H new ATOM 622 N LYS A 40 -1.869 -13.458 -0.249 1.00 4.01 N ATOM 623 CA LYS A 40 -1.995 -12.821 -1.574 1.00 24.14 C ATOM 624 C LYS A 40 -1.192 -11.515 -1.588 1.00 2.22 C ATOM 625 O LYS A 40 -1.730 -10.417 -1.777 1.00 33.14 O ATOM 626 CB LYS A 40 -3.493 -12.576 -1.903 1.00 62.15 C ATOM 627 CG LYS A 40 -4.328 -13.864 -1.941 1.00 4.51 C ATOM 628 CD LYS A 40 -5.772 -13.648 -2.437 1.00 30.23 C ATOM 629 CE LYS A 40 -6.536 -14.975 -2.560 1.00 23.33 C ATOM 630 NZ LYS A 40 -7.863 -14.796 -3.184 1.00 23.30 N ATOM 0 H LYS A 40 -2.640 -13.227 0.378 1.00 4.01 H new ATOM 0 HA LYS A 40 -1.591 -13.478 -2.344 1.00 24.14 H new ATOM 0 HB2 LYS A 40 -3.915 -11.900 -1.159 1.00 62.15 H new ATOM 0 HB3 LYS A 40 -3.568 -12.075 -2.868 1.00 62.15 H new ATOM 0 HG2 LYS A 40 -3.834 -14.588 -2.589 1.00 4.51 H new ATOM 0 HG3 LYS A 40 -4.357 -14.298 -0.942 1.00 4.51 H new ATOM 0 HD2 LYS A 40 -6.298 -12.988 -1.748 1.00 30.23 H new ATOM 0 HD3 LYS A 40 -5.753 -13.148 -3.405 1.00 30.23 H new ATOM 0 HE2 LYS A 40 -5.949 -15.677 -3.152 1.00 23.33 H new ATOM 0 HE3 LYS A 40 -6.658 -15.416 -1.571 1.00 23.33 H new ATOM 0 HZ1 LYS A 40 -8.344 -15.716 -3.247 1.00 23.30 H new ATOM 0 HZ2 LYS A 40 -8.434 -14.146 -2.606 1.00 23.30 H new ATOM 0 HZ3 LYS A 40 -7.747 -14.400 -4.138 1.00 23.30 H new ATOM 644 N ALA A 41 0.117 -11.680 -1.388 1.00 13.10 N ATOM 645 CA ALA A 41 1.072 -10.589 -1.214 1.00 1.40 C ATOM 646 C ALA A 41 1.258 -9.763 -2.500 1.00 4.22 C ATOM 647 O ALA A 41 1.730 -8.623 -2.441 1.00 72.03 O ATOM 648 CB ALA A 41 2.394 -11.176 -0.728 1.00 12.33 C ATOM 0 H ALA A 41 0.552 -12.602 -1.342 1.00 13.10 H new ATOM 0 HA ALA A 41 0.683 -9.893 -0.471 1.00 1.40 H new ATOM 0 HB1 ALA A 41 3.120 -10.374 -0.592 1.00 12.33 H new ATOM 0 HB2 ALA A 41 2.238 -11.688 0.221 1.00 12.33 H new ATOM 0 HB3 ALA A 41 2.770 -11.885 -1.465 1.00 12.33 H new ATOM 654 N ARG A 42 0.880 -10.355 -3.653 1.00 50.12 N ATOM 655 CA ARG A 42 0.909 -9.687 -4.961 1.00 34.50 C ATOM 656 C ARG A 42 -0.115 -8.529 -4.996 1.00 34.21 C ATOM 657 O ARG A 42 0.240 -7.387 -5.330 1.00 30.25 O ATOM 658 CB ARG A 42 0.649 -10.730 -6.092 1.00 4.11 C ATOM 659 CG ARG A 42 0.491 -10.144 -7.513 1.00 32.41 C ATOM 660 CD ARG A 42 1.659 -9.240 -7.921 1.00 21.14 C ATOM 661 NE ARG A 42 1.577 -8.863 -9.336 1.00 2.32 N ATOM 662 CZ ARG A 42 1.254 -7.663 -9.814 1.00 33.33 C ATOM 663 NH1 ARG A 42 0.980 -6.643 -9.002 1.00 15.13 N ATOM 664 NH2 ARG A 42 1.225 -7.480 -11.129 1.00 21.54 N ATOM 0 H ARG A 42 0.544 -11.317 -3.697 1.00 50.12 H new ATOM 0 HA ARG A 42 1.895 -9.252 -5.127 1.00 34.50 H new ATOM 0 HB2 ARG A 42 1.473 -11.443 -6.101 1.00 4.11 H new ATOM 0 HB3 ARG A 42 -0.254 -11.289 -5.846 1.00 4.11 H new ATOM 0 HG2 ARG A 42 0.404 -10.961 -8.229 1.00 32.41 H new ATOM 0 HG3 ARG A 42 -0.437 -9.575 -7.564 1.00 32.41 H new ATOM 0 HD2 ARG A 42 1.659 -8.342 -7.303 1.00 21.14 H new ATOM 0 HD3 ARG A 42 2.602 -9.755 -7.734 1.00 21.14 H new ATOM 0 HE ARG A 42 1.788 -9.590 -10.020 1.00 2.32 H new ATOM 0 HH11 ARG A 42 1.015 -6.772 -7.991 1.00 15.13 H new ATOM 0 HH12 ARG A 42 0.735 -5.733 -9.391 1.00 15.13 H new ATOM 0 HH21 ARG A 42 1.448 -8.253 -11.756 1.00 21.54 H new ATOM 0 HH22 ARG A 42 0.980 -6.567 -11.512 1.00 21.54 H new ATOM 678 N GLU A 43 -1.375 -8.831 -4.629 1.00 63.24 N ATOM 679 CA GLU A 43 -2.436 -7.814 -4.552 1.00 64.31 C ATOM 680 C GLU A 43 -2.199 -6.885 -3.357 1.00 74.42 C ATOM 681 O GLU A 43 -2.540 -5.707 -3.421 1.00 53.34 O ATOM 682 CB GLU A 43 -3.852 -8.423 -4.468 1.00 3.43 C ATOM 683 CG GLU A 43 -4.315 -9.184 -5.724 1.00 42.44 C ATOM 684 CD GLU A 43 -3.618 -10.537 -5.915 1.00 25.42 C ATOM 685 OE1 GLU A 43 -3.871 -11.454 -5.111 1.00 2.24 O ATOM 686 OE2 GLU A 43 -2.818 -10.689 -6.863 1.00 14.01 O ATOM 0 H GLU A 43 -1.681 -9.772 -4.381 1.00 63.24 H new ATOM 0 HA GLU A 43 -2.387 -7.245 -5.480 1.00 64.31 H new ATOM 0 HB2 GLU A 43 -3.887 -9.103 -3.617 1.00 3.43 H new ATOM 0 HB3 GLU A 43 -4.563 -7.622 -4.266 1.00 3.43 H new ATOM 0 HG2 GLU A 43 -5.391 -9.345 -5.665 1.00 42.44 H new ATOM 0 HG3 GLU A 43 -4.133 -8.564 -6.602 1.00 42.44 H new ATOM 693 N ALA A 44 -1.602 -7.421 -2.282 1.00 22.22 N ATOM 694 CA ALA A 44 -1.288 -6.638 -1.081 1.00 22.21 C ATOM 695 C ALA A 44 -0.399 -5.451 -1.437 1.00 0.44 C ATOM 696 O ALA A 44 -0.791 -4.295 -1.224 1.00 41.35 O ATOM 697 CB ALA A 44 -0.608 -7.522 -0.033 1.00 60.24 C ATOM 0 H ALA A 44 -1.326 -8.401 -2.222 1.00 22.22 H new ATOM 0 HA ALA A 44 -2.219 -6.257 -0.661 1.00 22.21 H new ATOM 0 HB1 ALA A 44 -0.381 -6.928 0.852 1.00 60.24 H new ATOM 0 HB2 ALA A 44 -1.274 -8.340 0.240 1.00 60.24 H new ATOM 0 HB3 ALA A 44 0.316 -7.928 -0.444 1.00 60.24 H new ATOM 703 N ALA A 45 0.739 -5.767 -2.083 1.00 35.44 N ATOM 704 CA ALA A 45 1.773 -4.791 -2.442 1.00 45.22 C ATOM 705 C ALA A 45 1.208 -3.659 -3.320 1.00 3.14 C ATOM 706 O ALA A 45 1.487 -2.482 -3.080 1.00 60.32 O ATOM 707 CB ALA A 45 2.936 -5.500 -3.156 1.00 15.31 C ATOM 0 H ALA A 45 0.964 -6.719 -2.371 1.00 35.44 H new ATOM 0 HA ALA A 45 2.141 -4.335 -1.523 1.00 45.22 H new ATOM 0 HB1 ALA A 45 3.701 -4.769 -3.420 1.00 15.31 H new ATOM 0 HB2 ALA A 45 3.366 -6.252 -2.494 1.00 15.31 H new ATOM 0 HB3 ALA A 45 2.567 -5.982 -4.061 1.00 15.31 H new ATOM 713 N GLU A 46 0.382 -4.027 -4.323 1.00 62.25 N ATOM 714 CA GLU A 46 -0.192 -3.048 -5.268 1.00 43.51 C ATOM 715 C GLU A 46 -1.263 -2.179 -4.598 1.00 10.40 C ATOM 716 O GLU A 46 -1.356 -1.007 -4.909 1.00 54.44 O ATOM 717 CB GLU A 46 -0.764 -3.720 -6.542 1.00 42.40 C ATOM 718 CG GLU A 46 -1.921 -4.680 -6.292 1.00 31.42 C ATOM 719 CD GLU A 46 -2.513 -5.266 -7.567 1.00 2.44 C ATOM 720 OE1 GLU A 46 -1.828 -6.076 -8.223 1.00 1.00 O ATOM 721 OE2 GLU A 46 -3.654 -4.921 -7.922 1.00 65.05 O ATOM 0 H GLU A 46 0.099 -4.991 -4.498 1.00 62.25 H new ATOM 0 HA GLU A 46 0.632 -2.405 -5.577 1.00 43.51 H new ATOM 0 HB2 GLU A 46 -1.098 -2.942 -7.228 1.00 42.40 H new ATOM 0 HB3 GLU A 46 0.039 -4.262 -7.042 1.00 42.40 H new ATOM 0 HG2 GLU A 46 -1.576 -5.494 -5.654 1.00 31.42 H new ATOM 0 HG3 GLU A 46 -2.705 -4.156 -5.745 1.00 31.42 H new ATOM 728 N TYR A 47 -2.054 -2.744 -3.666 1.00 23.32 N ATOM 729 CA TYR A 47 -3.100 -1.977 -2.946 1.00 35.03 C ATOM 730 C TYR A 47 -2.489 -0.951 -1.990 1.00 1.44 C ATOM 731 O TYR A 47 -3.071 0.122 -1.772 1.00 32.01 O ATOM 732 CB TYR A 47 -4.085 -2.917 -2.210 1.00 65.21 C ATOM 733 CG TYR A 47 -5.114 -3.549 -3.145 1.00 74.43 C ATOM 734 CD1 TYR A 47 -5.876 -2.739 -3.979 1.00 62.32 C ATOM 735 CD2 TYR A 47 -5.334 -4.924 -3.212 1.00 43.41 C ATOM 736 CE1 TYR A 47 -6.809 -3.262 -4.829 1.00 42.11 C ATOM 737 CE2 TYR A 47 -6.273 -5.456 -4.070 1.00 2.52 C ATOM 738 CZ TYR A 47 -7.004 -4.623 -4.879 1.00 12.34 C ATOM 739 OH TYR A 47 -7.938 -5.148 -5.743 1.00 35.43 O ATOM 0 H TYR A 47 -1.993 -3.724 -3.392 1.00 23.32 H new ATOM 0 HA TYR A 47 -3.669 -1.425 -3.694 1.00 35.03 H new ATOM 0 HB2 TYR A 47 -3.522 -3.706 -1.711 1.00 65.21 H new ATOM 0 HB3 TYR A 47 -4.604 -2.355 -1.433 1.00 65.21 H new ATOM 0 HD1 TYR A 47 -5.727 -1.670 -3.954 1.00 62.32 H new ATOM 0 HD2 TYR A 47 -4.758 -5.584 -2.580 1.00 43.41 H new ATOM 0 HE1 TYR A 47 -7.392 -2.608 -5.460 1.00 42.11 H new ATOM 0 HE2 TYR A 47 -6.432 -6.524 -4.105 1.00 2.52 H new ATOM 0 HH TYR A 47 -7.952 -6.124 -5.656 1.00 35.43 H new ATOM 749 N PHE A 48 -1.312 -1.291 -1.438 1.00 4.41 N ATOM 750 CA PHE A 48 -0.498 -0.346 -0.657 1.00 2.03 C ATOM 751 C PHE A 48 0.030 0.773 -1.570 1.00 63.41 C ATOM 752 O PHE A 48 0.069 1.926 -1.172 1.00 64.34 O ATOM 753 CB PHE A 48 0.678 -1.075 0.048 1.00 54.10 C ATOM 754 CG PHE A 48 0.243 -2.153 1.043 1.00 71.32 C ATOM 755 CD1 PHE A 48 -0.820 -1.924 1.911 1.00 22.41 C ATOM 756 CD2 PHE A 48 0.889 -3.390 1.113 1.00 33.34 C ATOM 757 CE1 PHE A 48 -1.223 -2.884 2.806 1.00 10.21 C ATOM 758 CE2 PHE A 48 0.480 -4.357 2.011 1.00 54.31 C ATOM 759 CZ PHE A 48 -0.576 -4.103 2.858 1.00 20.41 C ATOM 0 H PHE A 48 -0.901 -2.221 -1.520 1.00 4.41 H new ATOM 0 HA PHE A 48 -1.128 0.096 0.115 1.00 2.03 H new ATOM 0 HB2 PHE A 48 1.314 -1.532 -0.710 1.00 54.10 H new ATOM 0 HB3 PHE A 48 1.286 -0.337 0.572 1.00 54.10 H new ATOM 0 HD1 PHE A 48 -1.336 -0.976 1.880 1.00 22.41 H new ATOM 0 HD2 PHE A 48 1.721 -3.593 0.455 1.00 33.34 H new ATOM 0 HE1 PHE A 48 -2.049 -2.685 3.472 1.00 10.21 H new ATOM 0 HE2 PHE A 48 0.987 -5.310 2.049 1.00 54.31 H new ATOM 0 HZ PHE A 48 -0.898 -4.856 3.562 1.00 20.41 H new ATOM 769 N PHE A 49 0.402 0.399 -2.812 1.00 32.21 N ATOM 770 CA PHE A 49 0.961 1.329 -3.814 1.00 64.10 C ATOM 771 C PHE A 49 -0.091 2.337 -4.316 1.00 32.33 C ATOM 772 O PHE A 49 0.183 3.539 -4.399 1.00 4.20 O ATOM 773 CB PHE A 49 1.531 0.533 -5.014 1.00 31.13 C ATOM 774 CG PHE A 49 2.201 1.403 -6.069 1.00 62.21 C ATOM 775 CD1 PHE A 49 3.337 2.135 -5.742 1.00 34.15 C ATOM 776 CD2 PHE A 49 1.714 1.493 -7.383 1.00 44.32 C ATOM 777 CE1 PHE A 49 3.966 2.913 -6.679 1.00 21.21 C ATOM 778 CE2 PHE A 49 2.357 2.282 -8.323 1.00 54.41 C ATOM 779 CZ PHE A 49 3.488 2.991 -7.966 1.00 61.54 C ATOM 0 H PHE A 49 0.323 -0.561 -3.149 1.00 32.21 H new ATOM 0 HA PHE A 49 1.758 1.892 -3.328 1.00 64.10 H new ATOM 0 HB2 PHE A 49 2.254 -0.194 -4.644 1.00 31.13 H new ATOM 0 HB3 PHE A 49 0.723 -0.030 -5.481 1.00 31.13 H new ATOM 0 HD1 PHE A 49 3.729 2.090 -4.737 1.00 34.15 H new ATOM 0 HD2 PHE A 49 0.829 0.941 -7.664 1.00 44.32 H new ATOM 0 HE1 PHE A 49 4.848 3.472 -6.403 1.00 21.21 H new ATOM 0 HE2 PHE A 49 1.975 2.343 -9.332 1.00 54.41 H new ATOM 0 HZ PHE A 49 3.995 3.605 -8.696 1.00 61.54 H new ATOM 789 N ARG A 50 -1.286 1.815 -4.651 1.00 32.33 N ATOM 790 CA ARG A 50 -2.416 2.602 -5.192 1.00 42.13 C ATOM 791 C ARG A 50 -2.875 3.635 -4.148 1.00 31.34 C ATOM 792 O ARG A 50 -3.138 4.801 -4.474 1.00 34.40 O ATOM 793 CB ARG A 50 -3.599 1.657 -5.555 1.00 42.23 C ATOM 794 CG ARG A 50 -3.298 0.580 -6.626 1.00 4.42 C ATOM 795 CD ARG A 50 -4.417 -0.482 -6.739 1.00 41.31 C ATOM 796 NE ARG A 50 -4.094 -1.558 -7.703 1.00 0.02 N ATOM 797 CZ ARG A 50 -4.714 -1.767 -8.871 1.00 62.23 C ATOM 798 NH1 ARG A 50 -5.712 -0.986 -9.271 1.00 65.42 N ATOM 799 NH2 ARG A 50 -4.351 -2.779 -9.633 1.00 44.44 N ATOM 0 H ARG A 50 -1.499 0.822 -4.553 1.00 32.33 H new ATOM 0 HA ARG A 50 -2.089 3.121 -6.093 1.00 42.13 H new ATOM 0 HB2 ARG A 50 -3.930 1.155 -4.646 1.00 42.23 H new ATOM 0 HB3 ARG A 50 -4.432 2.267 -5.904 1.00 42.23 H new ATOM 0 HG2 ARG A 50 -3.163 1.064 -7.593 1.00 4.42 H new ATOM 0 HG3 ARG A 50 -2.357 0.086 -6.383 1.00 4.42 H new ATOM 0 HD2 ARG A 50 -4.594 -0.922 -5.757 1.00 41.31 H new ATOM 0 HD3 ARG A 50 -5.344 0.005 -7.042 1.00 41.31 H new ATOM 0 HE ARG A 50 -3.335 -2.194 -7.457 1.00 0.02 H new ATOM 0 HH11 ARG A 50 -6.019 -0.210 -8.684 1.00 65.42 H new ATOM 0 HH12 ARG A 50 -6.171 -1.162 -10.165 1.00 65.42 H new ATOM 0 HH21 ARG A 50 -3.600 -3.400 -9.332 1.00 44.44 H new ATOM 0 HH22 ARG A 50 -4.821 -2.941 -10.524 1.00 44.44 H new ATOM 813 N ALA A 51 -2.942 3.162 -2.884 1.00 41.21 N ATOM 814 CA ALA A 51 -3.263 3.992 -1.722 1.00 71.34 C ATOM 815 C ALA A 51 -2.144 5.023 -1.480 1.00 34.33 C ATOM 816 O ALA A 51 -2.431 6.179 -1.168 1.00 43.32 O ATOM 817 CB ALA A 51 -3.474 3.107 -0.481 1.00 55.44 C ATOM 0 H ALA A 51 -2.772 2.184 -2.649 1.00 41.21 H new ATOM 0 HA ALA A 51 -4.189 4.534 -1.916 1.00 71.34 H new ATOM 0 HB1 ALA A 51 -3.712 3.735 0.377 1.00 55.44 H new ATOM 0 HB2 ALA A 51 -4.296 2.415 -0.663 1.00 55.44 H new ATOM 0 HB3 ALA A 51 -2.564 2.544 -0.277 1.00 55.44 H new ATOM 823 N ALA A 52 -0.868 4.585 -1.660 1.00 31.11 N ATOM 824 CA ALA A 52 0.332 5.426 -1.420 1.00 73.22 C ATOM 825 C ALA A 52 0.377 6.644 -2.353 1.00 11.21 C ATOM 826 O ALA A 52 0.891 7.685 -1.969 1.00 24.13 O ATOM 827 CB ALA A 52 1.628 4.610 -1.563 1.00 14.31 C ATOM 0 H ALA A 52 -0.645 3.641 -1.975 1.00 31.11 H new ATOM 0 HA ALA A 52 0.256 5.787 -0.394 1.00 73.22 H new ATOM 0 HB1 ALA A 52 2.487 5.256 -1.381 1.00 14.31 H new ATOM 0 HB2 ALA A 52 1.627 3.795 -0.839 1.00 14.31 H new ATOM 0 HB3 ALA A 52 1.690 4.199 -2.571 1.00 14.31 H new ATOM 833 N ILE A 53 -0.157 6.486 -3.585 1.00 60.35 N ATOM 834 CA ILE A 53 -0.298 7.591 -4.566 1.00 45.34 C ATOM 835 C ILE A 53 -1.239 8.684 -4.012 1.00 60.50 C ATOM 836 O ILE A 53 -0.982 9.881 -4.162 1.00 32.11 O ATOM 837 CB ILE A 53 -0.851 7.056 -5.951 1.00 13.12 C ATOM 838 CG1 ILE A 53 0.121 5.991 -6.553 1.00 22.43 C ATOM 839 CG2 ILE A 53 -1.102 8.215 -6.957 1.00 42.51 C ATOM 840 CD1 ILE A 53 -0.371 5.294 -7.809 1.00 62.41 C ATOM 0 H ILE A 53 -0.503 5.590 -3.929 1.00 60.35 H new ATOM 0 HA ILE A 53 0.690 8.020 -4.732 1.00 45.34 H new ATOM 0 HB ILE A 53 -1.813 6.579 -5.763 1.00 13.12 H new ATOM 0 HG12 ILE A 53 1.071 6.476 -6.776 1.00 22.43 H new ATOM 0 HG13 ILE A 53 0.320 5.235 -5.793 1.00 22.43 H new ATOM 0 HG21 ILE A 53 -1.481 7.808 -7.894 1.00 42.51 H new ATOM 0 HG22 ILE A 53 -1.834 8.907 -6.540 1.00 42.51 H new ATOM 0 HG23 ILE A 53 -0.167 8.744 -7.143 1.00 42.51 H new ATOM 0 HD11 ILE A 53 0.378 4.576 -8.144 1.00 62.41 H new ATOM 0 HD12 ILE A 53 -1.304 4.772 -7.594 1.00 62.41 H new ATOM 0 HD13 ILE A 53 -0.541 6.033 -8.592 1.00 62.41 H new ATOM 852 N VAL A 54 -2.311 8.237 -3.340 1.00 23.44 N ATOM 853 CA VAL A 54 -3.336 9.113 -2.753 1.00 32.42 C ATOM 854 C VAL A 54 -2.783 9.827 -1.505 1.00 34.13 C ATOM 855 O VAL A 54 -3.048 11.013 -1.280 1.00 24.33 O ATOM 856 CB VAL A 54 -4.633 8.299 -2.414 1.00 72.02 C ATOM 857 CG1 VAL A 54 -5.765 9.219 -1.908 1.00 62.10 C ATOM 858 CG2 VAL A 54 -5.081 7.478 -3.645 1.00 33.24 C ATOM 0 H VAL A 54 -2.492 7.245 -3.187 1.00 23.44 H new ATOM 0 HA VAL A 54 -3.604 9.874 -3.486 1.00 32.42 H new ATOM 0 HB VAL A 54 -4.401 7.608 -1.604 1.00 72.02 H new ATOM 0 HG11 VAL A 54 -6.648 8.620 -1.683 1.00 62.10 H new ATOM 0 HG12 VAL A 54 -5.438 9.736 -1.006 1.00 62.10 H new ATOM 0 HG13 VAL A 54 -6.010 9.951 -2.677 1.00 62.10 H new ATOM 0 HG21 VAL A 54 -5.982 6.916 -3.399 1.00 33.24 H new ATOM 0 HG22 VAL A 54 -5.289 8.152 -4.476 1.00 33.24 H new ATOM 0 HG23 VAL A 54 -4.288 6.786 -3.929 1.00 33.24 H new ATOM 868 N PHE A 55 -1.970 9.098 -0.727 1.00 41.05 N ATOM 869 CA PHE A 55 -1.286 9.653 0.456 1.00 15.43 C ATOM 870 C PHE A 55 -0.153 10.607 0.034 1.00 60.41 C ATOM 871 O PHE A 55 0.181 11.537 0.758 1.00 25.23 O ATOM 872 CB PHE A 55 -0.727 8.517 1.347 1.00 0.21 C ATOM 873 CG PHE A 55 -1.772 7.509 1.840 1.00 75.41 C ATOM 874 CD1 PHE A 55 -2.993 7.935 2.365 1.00 34.43 C ATOM 875 CD2 PHE A 55 -1.528 6.133 1.791 1.00 23.10 C ATOM 876 CE1 PHE A 55 -3.925 7.021 2.816 1.00 14.22 C ATOM 877 CE2 PHE A 55 -2.462 5.225 2.245 1.00 73.44 C ATOM 878 CZ PHE A 55 -3.659 5.668 2.755 1.00 55.22 C ATOM 0 H PHE A 55 -1.767 8.113 -0.896 1.00 41.05 H new ATOM 0 HA PHE A 55 -2.017 10.219 1.034 1.00 15.43 H new ATOM 0 HB2 PHE A 55 0.039 7.980 0.788 1.00 0.21 H new ATOM 0 HB3 PHE A 55 -0.236 8.962 2.213 1.00 0.21 H new ATOM 0 HD1 PHE A 55 -3.211 8.991 2.419 1.00 34.43 H new ATOM 0 HD2 PHE A 55 -0.591 5.775 1.390 1.00 23.10 H new ATOM 0 HE1 PHE A 55 -4.866 7.366 3.218 1.00 14.22 H new ATOM 0 HE2 PHE A 55 -2.253 4.166 2.200 1.00 73.44 H new ATOM 0 HZ PHE A 55 -4.392 4.957 3.108 1.00 55.22 H new ATOM 888 N TYR A 56 0.419 10.358 -1.152 1.00 21.42 N ATOM 889 CA TYR A 56 1.523 11.163 -1.705 1.00 41.11 C ATOM 890 C TYR A 56 1.010 12.518 -2.234 1.00 23.10 C ATOM 891 O TYR A 56 1.591 13.569 -1.934 1.00 62.21 O ATOM 892 CB TYR A 56 2.240 10.375 -2.833 1.00 73.11 C ATOM 893 CG TYR A 56 3.307 11.181 -3.573 1.00 14.25 C ATOM 894 CD1 TYR A 56 4.454 11.630 -2.915 1.00 5.40 C ATOM 895 CD2 TYR A 56 3.152 11.533 -4.922 1.00 42.00 C ATOM 896 CE1 TYR A 56 5.408 12.377 -3.568 1.00 51.12 C ATOM 897 CE2 TYR A 56 4.104 12.285 -5.573 1.00 60.43 C ATOM 898 CZ TYR A 56 5.232 12.707 -4.895 1.00 53.12 C ATOM 899 OH TYR A 56 6.178 13.467 -5.548 1.00 24.32 O ATOM 0 H TYR A 56 0.130 9.591 -1.759 1.00 21.42 H new ATOM 0 HA TYR A 56 2.236 11.365 -0.906 1.00 41.11 H new ATOM 0 HB2 TYR A 56 2.703 9.487 -2.404 1.00 73.11 H new ATOM 0 HB3 TYR A 56 1.496 10.031 -3.551 1.00 73.11 H new ATOM 0 HD1 TYR A 56 4.595 11.386 -1.872 1.00 5.40 H new ATOM 0 HD2 TYR A 56 2.272 11.209 -5.458 1.00 42.00 H new ATOM 0 HE1 TYR A 56 6.293 12.704 -3.042 1.00 51.12 H new ATOM 0 HE2 TYR A 56 3.969 12.545 -6.613 1.00 60.43 H new ATOM 0 HH TYR A 56 5.900 13.607 -6.477 1.00 24.32 H new ATOM 909 N LYS A 57 -0.072 12.470 -3.037 1.00 4.22 N ATOM 910 CA LYS A 57 -0.674 13.675 -3.644 1.00 1.13 C ATOM 911 C LYS A 57 -1.223 14.636 -2.569 1.00 12.05 C ATOM 912 O LYS A 57 -1.154 15.854 -2.726 1.00 41.01 O ATOM 913 CB LYS A 57 -1.789 13.289 -4.663 1.00 23.44 C ATOM 914 CG LYS A 57 -3.069 12.700 -4.041 1.00 1.10 C ATOM 915 CD LYS A 57 -4.138 12.305 -5.084 1.00 54.14 C ATOM 916 CE LYS A 57 -3.730 11.095 -5.941 1.00 63.30 C ATOM 917 NZ LYS A 57 -4.748 10.775 -6.976 1.00 34.11 N ATOM 0 H LYS A 57 -0.550 11.603 -3.282 1.00 4.22 H new ATOM 0 HA LYS A 57 0.115 14.199 -4.184 1.00 1.13 H new ATOM 0 HB2 LYS A 57 -2.058 14.176 -5.237 1.00 23.44 H new ATOM 0 HB3 LYS A 57 -1.380 12.565 -5.368 1.00 23.44 H new ATOM 0 HG2 LYS A 57 -2.806 11.821 -3.452 1.00 1.10 H new ATOM 0 HG3 LYS A 57 -3.497 13.429 -3.352 1.00 1.10 H new ATOM 0 HD2 LYS A 57 -5.072 12.079 -4.570 1.00 54.14 H new ATOM 0 HD3 LYS A 57 -4.331 13.156 -5.737 1.00 54.14 H new ATOM 0 HE2 LYS A 57 -2.774 11.299 -6.424 1.00 63.30 H new ATOM 0 HE3 LYS A 57 -3.583 10.228 -5.297 1.00 63.30 H new ATOM 0 HZ1 LYS A 57 -4.433 9.954 -7.531 1.00 34.11 H new ATOM 0 HZ2 LYS A 57 -5.654 10.555 -6.515 1.00 34.11 H new ATOM 0 HZ3 LYS A 57 -4.870 11.592 -7.607 1.00 34.11 H new ATOM 931 N GLU A 58 -1.761 14.063 -1.472 1.00 31.43 N ATOM 932 CA GLU A 58 -2.258 14.841 -0.318 1.00 4.32 C ATOM 933 C GLU A 58 -1.129 15.148 0.675 1.00 64.31 C ATOM 934 O GLU A 58 -1.334 15.917 1.616 1.00 5.33 O ATOM 935 CB GLU A 58 -3.384 14.071 0.397 1.00 51.24 C ATOM 936 CG GLU A 58 -4.605 13.775 -0.494 1.00 1.45 C ATOM 937 CD GLU A 58 -5.732 13.079 0.267 1.00 71.15 C ATOM 938 OE1 GLU A 58 -6.542 13.776 0.912 1.00 73.53 O ATOM 939 OE2 GLU A 58 -5.795 11.834 0.260 1.00 45.23 O ATOM 0 H GLU A 58 -1.863 13.054 -1.361 1.00 31.43 H new ATOM 0 HA GLU A 58 -2.648 15.786 -0.696 1.00 4.32 H new ATOM 0 HB2 GLU A 58 -2.984 13.129 0.772 1.00 51.24 H new ATOM 0 HB3 GLU A 58 -3.710 14.647 1.263 1.00 51.24 H new ATOM 0 HG2 GLU A 58 -4.978 14.709 -0.915 1.00 1.45 H new ATOM 0 HG3 GLU A 58 -4.296 13.149 -1.331 1.00 1.45 H new ATOM 946 N HIS A 59 0.043 14.503 0.463 1.00 73.11 N ATOM 947 CA HIS A 59 1.270 14.701 1.279 1.00 1.13 C ATOM 948 C HIS A 59 1.093 14.221 2.739 1.00 22.02 C ATOM 949 O HIS A 59 1.760 14.709 3.660 1.00 31.23 O ATOM 950 CB HIS A 59 1.768 16.175 1.182 1.00 31.24 C ATOM 951 CG HIS A 59 2.231 16.543 -0.203 1.00 41.23 C ATOM 952 ND1 HIS A 59 3.526 16.348 -0.621 1.00 2.43 N ATOM 953 CD2 HIS A 59 1.578 17.071 -1.264 1.00 61.20 C ATOM 954 CE1 HIS A 59 3.646 16.730 -1.870 1.00 72.53 C ATOM 955 NE2 HIS A 59 2.480 17.172 -2.287 1.00 74.11 N ATOM 0 H HIS A 59 0.167 13.823 -0.287 1.00 73.11 H new ATOM 0 HA HIS A 59 2.052 14.068 0.860 1.00 1.13 H new ATOM 0 HB2 HIS A 59 0.963 16.846 1.482 1.00 31.24 H new ATOM 0 HB3 HIS A 59 2.587 16.324 1.886 1.00 31.24 H new ATOM 0 HD1 HIS A 59 4.278 15.965 -0.048 1.00 2.43 H new ATOM 0 HD2 HIS A 59 0.538 17.359 -1.297 1.00 61.20 H new ATOM 0 HE1 HIS A 59 4.551 16.688 -2.458 1.00 72.53 H new ATOM 964 N ASP A 60 0.219 13.212 2.914 1.00 52.42 N ATOM 965 CA ASP A 60 0.023 12.511 4.188 1.00 4.34 C ATOM 966 C ASP A 60 1.142 11.486 4.356 1.00 43.52 C ATOM 967 O ASP A 60 1.076 10.379 3.819 1.00 41.34 O ATOM 968 CB ASP A 60 -1.372 11.829 4.222 1.00 73.11 C ATOM 969 CG ASP A 60 -1.627 10.946 5.469 1.00 31.03 C ATOM 970 OD1 ASP A 60 -1.352 11.402 6.599 1.00 25.32 O ATOM 971 OD2 ASP A 60 -2.103 9.797 5.324 1.00 24.32 O ATOM 0 H ASP A 60 -0.375 12.860 2.164 1.00 52.42 H new ATOM 0 HA ASP A 60 0.059 13.221 5.014 1.00 4.34 H new ATOM 0 HB2 ASP A 60 -2.140 12.601 4.176 1.00 73.11 H new ATOM 0 HB3 ASP A 60 -1.483 11.214 3.329 1.00 73.11 H new ATOM 976 N THR A 61 2.193 11.912 5.062 1.00 20.02 N ATOM 977 CA THR A 61 3.373 11.091 5.347 1.00 51.13 C ATOM 978 C THR A 61 3.036 9.868 6.202 1.00 14.34 C ATOM 979 O THR A 61 3.728 8.860 6.115 1.00 2.14 O ATOM 980 CB THR A 61 4.458 11.930 6.088 1.00 31.22 C ATOM 981 OG1 THR A 61 3.868 12.646 7.186 1.00 41.41 O ATOM 982 CG2 THR A 61 5.157 12.917 5.150 1.00 35.32 C ATOM 0 H THR A 61 2.249 12.851 5.457 1.00 20.02 H new ATOM 0 HA THR A 61 3.751 10.748 4.384 1.00 51.13 H new ATOM 0 HB THR A 61 5.207 11.232 6.462 1.00 31.22 H new ATOM 0 HG1 THR A 61 4.559 13.168 7.645 1.00 41.41 H new ATOM 0 HG21 THR A 61 5.905 13.481 5.707 1.00 35.32 H new ATOM 0 HG22 THR A 61 5.643 12.370 4.342 1.00 35.32 H new ATOM 0 HG23 THR A 61 4.422 13.604 4.732 1.00 35.32 H new ATOM 990 N ASP A 62 1.975 9.984 7.029 1.00 35.54 N ATOM 991 CA ASP A 62 1.570 8.925 7.955 1.00 54.45 C ATOM 992 C ASP A 62 1.117 7.687 7.173 1.00 74.30 C ATOM 993 O ASP A 62 1.694 6.605 7.329 1.00 64.30 O ATOM 994 CB ASP A 62 0.447 9.429 8.900 1.00 21.20 C ATOM 995 CG ASP A 62 0.063 8.372 9.947 1.00 25.03 C ATOM 996 OD1 ASP A 62 0.822 8.204 10.923 1.00 65.13 O ATOM 997 OD2 ASP A 62 -0.983 7.692 9.790 1.00 34.44 O ATOM 0 H ASP A 62 1.383 10.814 7.067 1.00 35.54 H new ATOM 0 HA ASP A 62 2.426 8.648 8.570 1.00 54.45 H new ATOM 0 HB2 ASP A 62 0.777 10.337 9.405 1.00 21.20 H new ATOM 0 HB3 ASP A 62 -0.432 9.693 8.311 1.00 21.20 H new ATOM 1002 N GLY A 63 0.108 7.892 6.313 1.00 52.13 N ATOM 1003 CA GLY A 63 -0.427 6.839 5.461 1.00 42.31 C ATOM 1004 C GLY A 63 0.553 6.386 4.398 1.00 31.54 C ATOM 1005 O GLY A 63 0.586 5.202 4.065 1.00 64.43 O ATOM 0 H GLY A 63 -0.354 8.794 6.195 1.00 52.13 H new ATOM 0 HA2 GLY A 63 -0.706 5.985 6.079 1.00 42.31 H new ATOM 0 HA3 GLY A 63 -1.338 7.195 4.980 1.00 42.31 H new ATOM 1009 N LEU A 64 1.331 7.344 3.852 1.00 72.31 N ATOM 1010 CA LEU A 64 2.366 7.068 2.830 1.00 31.33 C ATOM 1011 C LEU A 64 3.455 6.143 3.399 1.00 24.40 C ATOM 1012 O LEU A 64 3.963 5.276 2.698 1.00 42.51 O ATOM 1013 CB LEU A 64 2.995 8.403 2.335 1.00 44.24 C ATOM 1014 CG LEU A 64 4.089 8.306 1.217 1.00 52.41 C ATOM 1015 CD1 LEU A 64 3.539 7.704 -0.092 1.00 61.10 C ATOM 1016 CD2 LEU A 64 4.742 9.676 0.957 1.00 2.21 C ATOM 0 H LEU A 64 1.261 8.329 4.106 1.00 72.31 H new ATOM 0 HA LEU A 64 1.896 6.564 1.985 1.00 31.33 H new ATOM 0 HB2 LEU A 64 2.191 9.040 1.967 1.00 44.24 H new ATOM 0 HB3 LEU A 64 3.434 8.909 3.195 1.00 44.24 H new ATOM 0 HG LEU A 64 4.855 7.624 1.587 1.00 52.41 H new ATOM 0 HD11 LEU A 64 4.336 7.658 -0.834 1.00 61.10 H new ATOM 0 HD12 LEU A 64 3.163 6.699 0.099 1.00 61.10 H new ATOM 0 HD13 LEU A 64 2.729 8.329 -0.467 1.00 61.10 H new ATOM 0 HD21 LEU A 64 5.497 9.577 0.177 1.00 2.21 H new ATOM 0 HD22 LEU A 64 3.980 10.387 0.637 1.00 2.21 H new ATOM 0 HD23 LEU A 64 5.212 10.035 1.873 1.00 2.21 H new ATOM 1028 N ARG A 65 3.775 6.348 4.692 1.00 62.54 N ATOM 1029 CA ARG A 65 4.773 5.547 5.429 1.00 0.41 C ATOM 1030 C ARG A 65 4.217 4.155 5.717 1.00 45.12 C ATOM 1031 O ARG A 65 4.915 3.165 5.555 1.00 52.13 O ATOM 1032 CB ARG A 65 5.144 6.255 6.752 1.00 15.32 C ATOM 1033 CG ARG A 65 6.273 5.590 7.561 1.00 43.04 C ATOM 1034 CD ARG A 65 6.555 6.351 8.862 1.00 3.12 C ATOM 1035 NE ARG A 65 7.674 5.770 9.615 1.00 1.34 N ATOM 1036 CZ ARG A 65 7.657 5.464 10.913 1.00 31.02 C ATOM 1037 NH1 ARG A 65 6.561 5.656 11.647 1.00 25.50 N ATOM 1038 NH2 ARG A 65 8.747 4.968 11.481 1.00 52.11 N ATOM 0 H ARG A 65 3.345 7.079 5.258 1.00 62.54 H new ATOM 0 HA ARG A 65 5.670 5.448 4.817 1.00 0.41 H new ATOM 0 HB2 ARG A 65 5.437 7.280 6.526 1.00 15.32 H new ATOM 0 HB3 ARG A 65 4.254 6.308 7.378 1.00 15.32 H new ATOM 0 HG2 ARG A 65 5.999 4.561 7.792 1.00 43.04 H new ATOM 0 HG3 ARG A 65 7.180 5.550 6.958 1.00 43.04 H new ATOM 0 HD2 ARG A 65 6.778 7.393 8.630 1.00 3.12 H new ATOM 0 HD3 ARG A 65 5.660 6.347 9.484 1.00 3.12 H new ATOM 0 HE ARG A 65 8.536 5.585 9.102 1.00 1.34 H new ATOM 0 HH11 ARG A 65 5.720 6.042 11.217 1.00 25.50 H new ATOM 0 HH12 ARG A 65 6.563 5.417 12.639 1.00 25.50 H new ATOM 0 HH21 ARG A 65 9.590 4.823 10.926 1.00 52.11 H new ATOM 0 HH22 ARG A 65 8.742 4.731 12.473 1.00 52.11 H new ATOM 1052 N ARG A 66 2.940 4.116 6.147 1.00 33.23 N ATOM 1053 CA ARG A 66 2.213 2.864 6.426 1.00 20.30 C ATOM 1054 C ARG A 66 2.144 1.977 5.170 1.00 52.53 C ATOM 1055 O ARG A 66 2.389 0.765 5.237 1.00 43.43 O ATOM 1056 CB ARG A 66 0.780 3.179 6.949 1.00 61.32 C ATOM 1057 CG ARG A 66 0.727 3.756 8.382 1.00 3.21 C ATOM 1058 CD ARG A 66 1.272 2.767 9.433 1.00 61.04 C ATOM 1059 NE ARG A 66 1.164 3.277 10.810 1.00 63.23 N ATOM 1060 CZ ARG A 66 0.882 2.528 11.887 1.00 13.31 C ATOM 1061 NH1 ARG A 66 0.662 1.214 11.777 1.00 62.24 N ATOM 1062 NH2 ARG A 66 0.842 3.098 13.079 1.00 52.50 N ATOM 0 H ARG A 66 2.383 4.955 6.311 1.00 33.23 H new ATOM 0 HA ARG A 66 2.756 2.317 7.197 1.00 20.30 H new ATOM 0 HB2 ARG A 66 0.308 3.888 6.269 1.00 61.32 H new ATOM 0 HB3 ARG A 66 0.188 2.265 6.918 1.00 61.32 H new ATOM 0 HG2 ARG A 66 1.305 4.679 8.421 1.00 3.21 H new ATOM 0 HG3 ARG A 66 -0.303 4.014 8.629 1.00 3.21 H new ATOM 0 HD2 ARG A 66 0.727 1.826 9.356 1.00 61.04 H new ATOM 0 HD3 ARG A 66 2.317 2.550 9.212 1.00 61.04 H new ATOM 0 HE ARG A 66 1.315 4.275 10.956 1.00 63.23 H new ATOM 0 HH11 ARG A 66 0.707 0.764 10.863 1.00 62.24 H new ATOM 0 HH12 ARG A 66 0.449 0.661 12.607 1.00 62.24 H new ATOM 0 HH21 ARG A 66 1.024 4.097 13.173 1.00 52.50 H new ATOM 0 HH22 ARG A 66 0.629 2.539 13.905 1.00 52.50 H new ATOM 1076 N ALA A 67 1.838 2.623 4.034 1.00 72.03 N ATOM 1077 CA ALA A 67 1.682 1.961 2.739 1.00 52.20 C ATOM 1078 C ALA A 67 3.045 1.498 2.211 1.00 55.42 C ATOM 1079 O ALA A 67 3.175 0.355 1.789 1.00 51.44 O ATOM 1080 CB ALA A 67 0.990 2.914 1.756 1.00 24.31 C ATOM 0 H ALA A 67 1.691 3.632 3.993 1.00 72.03 H new ATOM 0 HA ALA A 67 1.057 1.075 2.854 1.00 52.20 H new ATOM 0 HB1 ALA A 67 0.874 2.420 0.791 1.00 24.31 H new ATOM 0 HB2 ALA A 67 0.009 3.187 2.144 1.00 24.31 H new ATOM 0 HB3 ALA A 67 1.595 3.812 1.633 1.00 24.31 H new ATOM 1086 N ALA A 68 4.060 2.391 2.301 1.00 55.15 N ATOM 1087 CA ALA A 68 5.433 2.127 1.808 1.00 44.51 C ATOM 1088 C ALA A 68 6.101 0.970 2.563 1.00 14.53 C ATOM 1089 O ALA A 68 6.747 0.098 1.953 1.00 30.34 O ATOM 1090 CB ALA A 68 6.301 3.393 1.939 1.00 11.12 C ATOM 0 H ALA A 68 3.949 3.315 2.718 1.00 55.15 H new ATOM 0 HA ALA A 68 5.349 1.843 0.759 1.00 44.51 H new ATOM 0 HB1 ALA A 68 7.306 3.184 1.573 1.00 11.12 H new ATOM 0 HB2 ALA A 68 5.861 4.198 1.351 1.00 11.12 H new ATOM 0 HB3 ALA A 68 6.351 3.693 2.986 1.00 11.12 H new ATOM 1096 N LYS A 69 5.930 0.987 3.896 1.00 43.14 N ATOM 1097 CA LYS A 69 6.528 0.009 4.813 1.00 62.22 C ATOM 1098 C LYS A 69 5.901 -1.370 4.541 1.00 3.13 C ATOM 1099 O LYS A 69 6.610 -2.338 4.285 1.00 72.21 O ATOM 1100 CB LYS A 69 6.311 0.469 6.297 1.00 61.40 C ATOM 1101 CG LYS A 69 7.284 -0.138 7.351 1.00 15.05 C ATOM 1102 CD LYS A 69 7.010 -1.624 7.695 1.00 33.50 C ATOM 1103 CE LYS A 69 8.053 -2.203 8.665 1.00 70.41 C ATOM 1104 NZ LYS A 69 7.803 -3.633 8.965 1.00 72.44 N ATOM 0 H LYS A 69 5.364 1.691 4.370 1.00 43.14 H new ATOM 0 HA LYS A 69 7.603 -0.063 4.650 1.00 62.22 H new ATOM 0 HB2 LYS A 69 6.397 1.555 6.336 1.00 61.40 H new ATOM 0 HB3 LYS A 69 5.291 0.219 6.588 1.00 61.40 H new ATOM 0 HG2 LYS A 69 8.305 -0.046 6.980 1.00 15.05 H new ATOM 0 HG3 LYS A 69 7.223 0.451 8.266 1.00 15.05 H new ATOM 0 HD2 LYS A 69 6.017 -1.715 8.136 1.00 33.50 H new ATOM 0 HD3 LYS A 69 7.006 -2.212 6.777 1.00 33.50 H new ATOM 0 HE2 LYS A 69 9.048 -2.092 8.235 1.00 70.41 H new ATOM 0 HE3 LYS A 69 8.041 -1.631 9.593 1.00 70.41 H new ATOM 0 HZ1 LYS A 69 8.158 -3.855 9.917 1.00 72.44 H new ATOM 0 HZ2 LYS A 69 6.781 -3.823 8.923 1.00 72.44 H new ATOM 0 HZ3 LYS A 69 8.294 -4.225 8.265 1.00 72.44 H new ATOM 1118 N SER A 70 4.558 -1.412 4.533 1.00 13.41 N ATOM 1119 CA SER A 70 3.789 -2.655 4.344 1.00 31.15 C ATOM 1120 C SER A 70 3.970 -3.216 2.912 1.00 11.55 C ATOM 1121 O SER A 70 3.849 -4.430 2.704 1.00 40.25 O ATOM 1122 CB SER A 70 2.292 -2.404 4.673 1.00 74.50 C ATOM 1123 OG SER A 70 1.624 -3.619 4.972 1.00 51.13 O ATOM 0 H SER A 70 3.974 -0.585 4.657 1.00 13.41 H new ATOM 0 HA SER A 70 4.171 -3.410 5.031 1.00 31.15 H new ATOM 0 HB2 SER A 70 2.212 -1.723 5.521 1.00 74.50 H new ATOM 0 HB3 SER A 70 1.807 -1.918 3.827 1.00 74.50 H new ATOM 0 HG SER A 70 1.013 -3.845 4.240 1.00 51.13 H new ATOM 1129 N LEU A 71 4.244 -2.300 1.944 1.00 5.32 N ATOM 1130 CA LEU A 71 4.419 -2.622 0.504 1.00 31.34 C ATOM 1131 C LEU A 71 5.571 -3.622 0.326 1.00 11.24 C ATOM 1132 O LEU A 71 5.369 -4.724 -0.183 1.00 72.23 O ATOM 1133 CB LEU A 71 4.687 -1.306 -0.307 1.00 10.02 C ATOM 1134 CG LEU A 71 4.111 -1.223 -1.760 1.00 33.53 C ATOM 1135 CD1 LEU A 71 4.189 0.214 -2.297 1.00 23.23 C ATOM 1136 CD2 LEU A 71 4.800 -2.199 -2.736 1.00 1.53 C ATOM 0 H LEU A 71 4.350 -1.306 2.146 1.00 5.32 H new ATOM 0 HA LEU A 71 3.507 -3.081 0.122 1.00 31.34 H new ATOM 0 HB2 LEU A 71 4.282 -0.471 0.264 1.00 10.02 H new ATOM 0 HB3 LEU A 71 5.766 -1.160 -0.364 1.00 10.02 H new ATOM 0 HG LEU A 71 3.066 -1.525 -1.695 1.00 33.53 H new ATOM 0 HD11 LEU A 71 3.783 0.247 -3.308 1.00 23.23 H new ATOM 0 HD12 LEU A 71 3.611 0.875 -1.652 1.00 23.23 H new ATOM 0 HD13 LEU A 71 5.229 0.541 -2.313 1.00 23.23 H new ATOM 0 HD21 LEU A 71 4.358 -2.095 -3.727 1.00 1.53 H new ATOM 0 HD22 LEU A 71 5.865 -1.971 -2.788 1.00 1.53 H new ATOM 0 HD23 LEU A 71 4.665 -3.222 -2.384 1.00 1.53 H new ATOM 1148 N LYS A 72 6.756 -3.235 0.828 1.00 11.31 N ATOM 1149 CA LYS A 72 7.990 -4.032 0.697 1.00 22.55 C ATOM 1150 C LYS A 72 7.922 -5.332 1.525 1.00 60.03 C ATOM 1151 O LYS A 72 8.518 -6.350 1.144 1.00 43.33 O ATOM 1152 CB LYS A 72 9.226 -3.183 1.097 1.00 31.22 C ATOM 1153 CG LYS A 72 9.174 -2.591 2.529 1.00 44.34 C ATOM 1154 CD LYS A 72 10.435 -1.779 2.905 1.00 40.55 C ATOM 1155 CE LYS A 72 11.712 -2.637 2.907 1.00 60.02 C ATOM 1156 NZ LYS A 72 11.641 -3.767 3.870 1.00 40.32 N ATOM 0 H LYS A 72 6.886 -2.360 1.336 1.00 11.31 H new ATOM 0 HA LYS A 72 8.090 -4.322 -0.349 1.00 22.55 H new ATOM 0 HB2 LYS A 72 10.119 -3.802 1.007 1.00 31.22 H new ATOM 0 HB3 LYS A 72 9.333 -2.365 0.385 1.00 31.22 H new ATOM 0 HG2 LYS A 72 8.298 -1.948 2.617 1.00 44.34 H new ATOM 0 HG3 LYS A 72 9.047 -3.403 3.245 1.00 44.34 H new ATOM 0 HD2 LYS A 72 10.556 -0.956 2.201 1.00 40.55 H new ATOM 0 HD3 LYS A 72 10.297 -1.337 3.892 1.00 40.55 H new ATOM 0 HE2 LYS A 72 11.883 -3.029 1.905 1.00 60.02 H new ATOM 0 HE3 LYS A 72 12.567 -2.008 3.153 1.00 60.02 H new ATOM 0 HZ1 LYS A 72 12.455 -3.724 4.516 1.00 40.32 H new ATOM 0 HZ2 LYS A 72 10.760 -3.701 4.418 1.00 40.32 H new ATOM 0 HZ3 LYS A 72 11.659 -4.668 3.350 1.00 40.32 H new ATOM 1170 N GLU A 73 7.180 -5.287 2.645 1.00 72.14 N ATOM 1171 CA GLU A 73 6.989 -6.446 3.541 1.00 35.13 C ATOM 1172 C GLU A 73 6.057 -7.496 2.906 1.00 54.22 C ATOM 1173 O GLU A 73 6.145 -8.686 3.227 1.00 22.35 O ATOM 1174 CB GLU A 73 6.447 -5.986 4.914 1.00 64.12 C ATOM 1175 CG GLU A 73 7.363 -4.991 5.652 1.00 73.03 C ATOM 1176 CD GLU A 73 8.769 -5.533 5.968 1.00 73.32 C ATOM 1177 OE1 GLU A 73 9.680 -5.395 5.119 1.00 3.00 O ATOM 1178 OE2 GLU A 73 8.977 -6.068 7.082 1.00 63.31 O ATOM 0 H GLU A 73 6.694 -4.446 2.957 1.00 72.14 H new ATOM 0 HA GLU A 73 7.960 -6.917 3.694 1.00 35.13 H new ATOM 0 HB2 GLU A 73 5.470 -5.525 4.771 1.00 64.12 H new ATOM 0 HB3 GLU A 73 6.297 -6.862 5.545 1.00 64.12 H new ATOM 0 HG2 GLU A 73 7.462 -4.090 5.047 1.00 73.03 H new ATOM 0 HG3 GLU A 73 6.882 -4.697 6.585 1.00 73.03 H new ATOM 1185 N ALA A 74 5.164 -7.041 2.014 1.00 33.32 N ATOM 1186 CA ALA A 74 4.324 -7.937 1.203 1.00 45.24 C ATOM 1187 C ALA A 74 5.182 -8.635 0.128 1.00 73.24 C ATOM 1188 O ALA A 74 5.047 -9.829 -0.107 1.00 73.12 O ATOM 1189 CB ALA A 74 3.165 -7.143 0.569 1.00 31.12 C ATOM 0 H ALA A 74 5.004 -6.050 1.835 1.00 33.32 H new ATOM 0 HA ALA A 74 3.894 -8.708 1.843 1.00 45.24 H new ATOM 0 HB1 ALA A 74 2.549 -7.814 -0.029 1.00 31.12 H new ATOM 0 HB2 ALA A 74 2.557 -6.696 1.356 1.00 31.12 H new ATOM 0 HB3 ALA A 74 3.569 -6.356 -0.068 1.00 31.12 H new ATOM 1195 N ILE A 75 6.119 -7.878 -0.462 1.00 53.20 N ATOM 1196 CA ILE A 75 6.967 -8.336 -1.588 1.00 51.54 C ATOM 1197 C ILE A 75 7.908 -9.484 -1.201 1.00 5.01 C ATOM 1198 O ILE A 75 8.188 -10.369 -2.020 1.00 74.12 O ATOM 1199 CB ILE A 75 7.754 -7.128 -2.188 1.00 61.21 C ATOM 1200 CG1 ILE A 75 6.735 -6.069 -2.680 1.00 15.33 C ATOM 1201 CG2 ILE A 75 8.708 -7.548 -3.344 1.00 5.31 C ATOM 1202 CD1 ILE A 75 7.346 -4.750 -2.995 1.00 62.41 C ATOM 0 H ILE A 75 6.316 -6.920 -0.173 1.00 53.20 H new ATOM 0 HA ILE A 75 6.304 -8.742 -2.352 1.00 51.54 H new ATOM 0 HB ILE A 75 8.389 -6.711 -1.406 1.00 61.21 H new ATOM 0 HG12 ILE A 75 6.232 -6.448 -3.570 1.00 15.33 H new ATOM 0 HG13 ILE A 75 5.970 -5.932 -1.916 1.00 15.33 H new ATOM 0 HG21 ILE A 75 9.229 -6.669 -3.723 1.00 5.31 H new ATOM 0 HG22 ILE A 75 9.436 -8.269 -2.971 1.00 5.31 H new ATOM 0 HG23 ILE A 75 8.128 -8.001 -4.148 1.00 5.31 H new ATOM 0 HD11 ILE A 75 6.571 -4.062 -3.333 1.00 62.41 H new ATOM 0 HD12 ILE A 75 7.825 -4.348 -2.102 1.00 62.41 H new ATOM 0 HD13 ILE A 75 8.091 -4.872 -3.782 1.00 62.41 H new ATOM 1214 N THR A 76 8.357 -9.489 0.061 1.00 31.41 N ATOM 1215 CA THR A 76 9.191 -10.581 0.597 1.00 35.02 C ATOM 1216 C THR A 76 8.411 -11.925 0.625 1.00 41.42 C ATOM 1217 O THR A 76 9.010 -13.003 0.653 1.00 23.53 O ATOM 1218 CB THR A 76 9.720 -10.236 2.026 1.00 24.25 C ATOM 1219 OG1 THR A 76 8.623 -10.093 2.937 1.00 74.11 O ATOM 1220 CG2 THR A 76 10.545 -8.940 2.021 1.00 4.50 C ATOM 0 H THR A 76 8.158 -8.749 0.734 1.00 31.41 H new ATOM 0 HA THR A 76 10.045 -10.694 -0.070 1.00 35.02 H new ATOM 0 HB THR A 76 10.363 -11.056 2.346 1.00 24.25 H new ATOM 0 HG1 THR A 76 8.000 -9.418 2.595 1.00 74.11 H new ATOM 0 HG21 THR A 76 10.898 -8.729 3.031 1.00 4.50 H new ATOM 0 HG22 THR A 76 11.400 -9.055 1.355 1.00 4.50 H new ATOM 0 HG23 THR A 76 9.924 -8.114 1.674 1.00 4.50 H new ATOM 1228 N ALA A 77 7.062 -11.831 0.593 1.00 30.12 N ATOM 1229 CA ALA A 77 6.148 -12.993 0.598 1.00 5.24 C ATOM 1230 C ALA A 77 5.527 -13.267 -0.801 1.00 73.11 C ATOM 1231 O ALA A 77 4.673 -14.156 -0.935 1.00 42.11 O ATOM 1232 CB ALA A 77 5.050 -12.766 1.655 1.00 3.40 C ATOM 0 H ALA A 77 6.574 -10.936 0.563 1.00 30.12 H new ATOM 0 HA ALA A 77 6.727 -13.881 0.853 1.00 5.24 H new ATOM 0 HB1 ALA A 77 4.372 -13.619 1.664 1.00 3.40 H new ATOM 0 HB2 ALA A 77 5.508 -12.656 2.638 1.00 3.40 H new ATOM 0 HB3 ALA A 77 4.492 -11.862 1.412 1.00 3.40 H new ATOM 1238 N ILE A 78 5.946 -12.501 -1.829 1.00 31.44 N ATOM 1239 CA ILE A 78 5.517 -12.729 -3.235 1.00 62.14 C ATOM 1240 C ILE A 78 6.333 -13.904 -3.840 1.00 53.24 C ATOM 1241 O ILE A 78 7.558 -13.946 -3.662 1.00 1.12 O ATOM 1242 CB ILE A 78 5.686 -11.427 -4.137 1.00 23.15 C ATOM 1243 CG1 ILE A 78 4.726 -10.301 -3.654 1.00 75.15 C ATOM 1244 CG2 ILE A 78 5.457 -11.722 -5.647 1.00 52.35 C ATOM 1245 CD1 ILE A 78 4.802 -8.993 -4.438 1.00 21.01 C ATOM 0 H ILE A 78 6.585 -11.714 -1.716 1.00 31.44 H new ATOM 0 HA ILE A 78 4.455 -12.976 -3.223 1.00 62.14 H new ATOM 0 HB ILE A 78 6.717 -11.091 -4.025 1.00 23.15 H new ATOM 0 HG12 ILE A 78 3.703 -10.674 -3.702 1.00 75.15 H new ATOM 0 HG13 ILE A 78 4.940 -10.090 -2.606 1.00 75.15 H new ATOM 0 HG21 ILE A 78 5.583 -10.804 -6.220 1.00 52.35 H new ATOM 0 HG22 ILE A 78 6.180 -12.464 -5.986 1.00 52.35 H new ATOM 0 HG23 ILE A 78 4.447 -12.105 -5.794 1.00 52.35 H new ATOM 0 HD11 ILE A 78 4.094 -8.277 -4.021 1.00 21.01 H new ATOM 0 HD12 ILE A 78 5.811 -8.587 -4.371 1.00 21.01 H new ATOM 0 HD13 ILE A 78 4.555 -9.180 -5.483 1.00 21.01 H new ATOM 1369 N GLU A 86 7.192 -6.194 -11.207 1.00 32.40 N ATOM 1370 CA GLU A 86 6.289 -5.045 -11.035 1.00 22.32 C ATOM 1371 C GLU A 86 6.321 -4.509 -9.585 1.00 31.31 C ATOM 1372 O GLU A 86 6.751 -3.363 -9.353 1.00 32.24 O ATOM 1373 CB GLU A 86 4.827 -5.410 -11.468 1.00 75.31 C ATOM 1374 CG GLU A 86 3.744 -4.445 -10.908 1.00 3.22 C ATOM 1375 CD GLU A 86 2.407 -4.436 -11.659 1.00 52.42 C ATOM 1376 OE1 GLU A 86 2.412 -4.245 -12.886 1.00 4.54 O ATOM 1377 OE2 GLU A 86 1.335 -4.583 -11.020 1.00 54.35 O ATOM 0 HA GLU A 86 6.646 -4.247 -11.687 1.00 22.32 H new ATOM 0 HB2 GLU A 86 4.771 -5.411 -12.557 1.00 75.31 H new ATOM 0 HB3 GLU A 86 4.603 -6.424 -11.136 1.00 75.31 H new ATOM 0 HG2 GLU A 86 3.553 -4.708 -9.867 1.00 3.22 H new ATOM 0 HG3 GLU A 86 4.149 -3.433 -10.912 1.00 3.22 H new ATOM 1384 N ALA A 87 5.897 -5.355 -8.622 1.00 73.00 N ATOM 1385 CA ALA A 87 5.587 -4.905 -7.251 1.00 41.21 C ATOM 1386 C ALA A 87 6.816 -4.398 -6.508 1.00 44.54 C ATOM 1387 O ALA A 87 6.699 -3.441 -5.733 1.00 4.51 O ATOM 1388 CB ALA A 87 4.868 -5.994 -6.443 1.00 24.23 C ATOM 0 H ALA A 87 5.762 -6.355 -8.771 1.00 73.00 H new ATOM 0 HA ALA A 87 4.907 -4.060 -7.357 1.00 41.21 H new ATOM 0 HB1 ALA A 87 4.658 -5.623 -5.440 1.00 24.23 H new ATOM 0 HB2 ALA A 87 3.932 -6.256 -6.937 1.00 24.23 H new ATOM 0 HB3 ALA A 87 5.503 -6.878 -6.378 1.00 24.23 H new ATOM 1394 N LYS A 88 7.994 -5.016 -6.757 1.00 1.04 N ATOM 1395 CA LYS A 88 9.238 -4.609 -6.088 1.00 21.55 C ATOM 1396 C LYS A 88 9.648 -3.180 -6.504 1.00 23.52 C ATOM 1397 O LYS A 88 10.115 -2.389 -5.671 1.00 74.34 O ATOM 1398 CB LYS A 88 10.391 -5.601 -6.334 1.00 34.21 C ATOM 1399 CG LYS A 88 11.661 -5.243 -5.529 1.00 12.51 C ATOM 1400 CD LYS A 88 12.695 -6.370 -5.463 1.00 75.21 C ATOM 1401 CE LYS A 88 13.884 -6.015 -4.558 1.00 62.31 C ATOM 1402 NZ LYS A 88 13.461 -5.755 -3.157 1.00 14.43 N ATOM 0 H LYS A 88 8.102 -5.791 -7.411 1.00 1.04 H new ATOM 0 HA LYS A 88 9.035 -4.615 -5.017 1.00 21.55 H new ATOM 0 HB2 LYS A 88 10.065 -6.606 -6.065 1.00 34.21 H new ATOM 0 HB3 LYS A 88 10.631 -5.618 -7.397 1.00 34.21 H new ATOM 0 HG2 LYS A 88 12.125 -4.363 -5.975 1.00 12.51 H new ATOM 0 HG3 LYS A 88 11.371 -4.970 -4.514 1.00 12.51 H new ATOM 0 HD2 LYS A 88 12.218 -7.277 -5.093 1.00 75.21 H new ATOM 0 HD3 LYS A 88 13.058 -6.587 -6.468 1.00 75.21 H new ATOM 0 HE2 LYS A 88 14.607 -6.831 -4.573 1.00 62.31 H new ATOM 0 HE3 LYS A 88 14.390 -5.134 -4.953 1.00 62.31 H new ATOM 0 HZ1 LYS A 88 14.294 -5.771 -2.534 1.00 14.43 H new ATOM 0 HZ2 LYS A 88 13.004 -4.823 -3.100 1.00 14.43 H new ATOM 0 HZ3 LYS A 88 12.789 -6.489 -2.855 1.00 14.43 H new ATOM 1416 N GLU A 89 9.430 -2.862 -7.792 1.00 75.25 N ATOM 1417 CA GLU A 89 9.693 -1.524 -8.360 1.00 14.41 C ATOM 1418 C GLU A 89 8.717 -0.492 -7.730 1.00 40.43 C ATOM 1419 O GLU A 89 9.068 0.666 -7.508 1.00 44.31 O ATOM 1420 CB GLU A 89 9.557 -1.569 -9.919 1.00 44.44 C ATOM 1421 CG GLU A 89 10.369 -0.503 -10.711 1.00 40.33 C ATOM 1422 CD GLU A 89 10.016 0.968 -10.399 1.00 11.44 C ATOM 1423 OE1 GLU A 89 8.891 1.404 -10.730 1.00 60.53 O ATOM 1424 OE2 GLU A 89 10.855 1.694 -9.814 1.00 34.31 O ATOM 0 H GLU A 89 9.065 -3.528 -8.473 1.00 75.25 H new ATOM 0 HA GLU A 89 10.712 -1.216 -8.125 1.00 14.41 H new ATOM 0 HB2 GLU A 89 9.864 -2.557 -10.261 1.00 44.44 H new ATOM 0 HB3 GLU A 89 8.503 -1.456 -10.174 1.00 44.44 H new ATOM 0 HG2 GLU A 89 11.429 -0.655 -10.509 1.00 40.33 H new ATOM 0 HG3 GLU A 89 10.220 -0.676 -11.777 1.00 40.33 H new ATOM 1431 N MET A 90 7.498 -0.951 -7.415 1.00 44.32 N ATOM 1432 CA MET A 90 6.464 -0.117 -6.777 1.00 3.23 C ATOM 1433 C MET A 90 6.842 0.226 -5.317 1.00 11.21 C ATOM 1434 O MET A 90 6.497 1.305 -4.825 1.00 63.41 O ATOM 1435 CB MET A 90 5.080 -0.802 -6.879 1.00 4.54 C ATOM 1436 CG MET A 90 4.613 -1.034 -8.331 1.00 34.51 C ATOM 1437 SD MET A 90 2.849 -1.396 -8.495 1.00 30.31 S ATOM 1438 CE MET A 90 2.657 -2.862 -7.492 1.00 53.23 C ATOM 0 H MET A 90 7.199 -1.910 -7.594 1.00 44.32 H new ATOM 0 HA MET A 90 6.402 0.830 -7.313 1.00 3.23 H new ATOM 0 HB2 MET A 90 5.119 -1.760 -6.361 1.00 4.54 H new ATOM 0 HB3 MET A 90 4.341 -0.190 -6.362 1.00 4.54 H new ATOM 0 HG2 MET A 90 4.847 -0.148 -8.922 1.00 34.51 H new ATOM 0 HG3 MET A 90 5.183 -1.860 -8.756 1.00 34.51 H new ATOM 0 HE1 MET A 90 1.598 -3.101 -7.396 1.00 53.23 H new ATOM 0 HE2 MET A 90 3.176 -3.696 -7.964 1.00 53.23 H new ATOM 0 HE3 MET A 90 3.080 -2.684 -6.503 1.00 53.23 H new ATOM 1448 N ALA A 91 7.551 -0.704 -4.634 1.00 25.40 N ATOM 1449 CA ALA A 91 8.163 -0.423 -3.315 1.00 11.14 C ATOM 1450 C ALA A 91 9.242 0.652 -3.445 1.00 42.50 C ATOM 1451 O ALA A 91 9.370 1.494 -2.569 1.00 24.30 O ATOM 1452 CB ALA A 91 8.774 -1.677 -2.689 1.00 41.31 C ATOM 0 H ALA A 91 7.712 -1.652 -4.974 1.00 25.40 H new ATOM 0 HA ALA A 91 7.365 -0.069 -2.662 1.00 11.14 H new ATOM 0 HB1 ALA A 91 9.212 -1.425 -1.723 1.00 41.31 H new ATOM 0 HB2 ALA A 91 7.998 -2.430 -2.551 1.00 41.31 H new ATOM 0 HB3 ALA A 91 9.549 -2.071 -3.347 1.00 41.31 H new ATOM 1458 N LYS A 92 10.009 0.602 -4.561 1.00 71.32 N ATOM 1459 CA LYS A 92 11.069 1.587 -4.853 1.00 25.03 C ATOM 1460 C LYS A 92 10.463 2.990 -5.042 1.00 41.22 C ATOM 1461 O LYS A 92 11.051 3.977 -4.606 1.00 0.44 O ATOM 1462 CB LYS A 92 11.881 1.186 -6.110 1.00 65.11 C ATOM 1463 CG LYS A 92 12.588 -0.184 -6.009 1.00 13.13 C ATOM 1464 CD LYS A 92 13.451 -0.493 -7.258 1.00 20.55 C ATOM 1465 CE LYS A 92 14.604 0.514 -7.441 1.00 31.14 C ATOM 1466 NZ LYS A 92 15.389 0.265 -8.679 1.00 34.13 N ATOM 0 H LYS A 92 9.909 -0.118 -5.277 1.00 71.32 H new ATOM 0 HA LYS A 92 11.749 1.604 -4.001 1.00 25.03 H new ATOM 0 HB2 LYS A 92 11.211 1.172 -6.970 1.00 65.11 H new ATOM 0 HB3 LYS A 92 12.631 1.954 -6.302 1.00 65.11 H new ATOM 0 HG2 LYS A 92 13.219 -0.200 -5.121 1.00 13.13 H new ATOM 0 HG3 LYS A 92 11.841 -0.968 -5.883 1.00 13.13 H new ATOM 0 HD2 LYS A 92 13.861 -1.499 -7.173 1.00 20.55 H new ATOM 0 HD3 LYS A 92 12.818 -0.481 -8.145 1.00 20.55 H new ATOM 0 HE2 LYS A 92 14.197 1.525 -7.470 1.00 31.14 H new ATOM 0 HE3 LYS A 92 15.267 0.462 -6.578 1.00 31.14 H new ATOM 0 HZ1 LYS A 92 16.151 0.969 -8.754 1.00 34.13 H new ATOM 0 HZ2 LYS A 92 15.801 -0.689 -8.643 1.00 34.13 H new ATOM 0 HZ3 LYS A 92 14.765 0.341 -9.507 1.00 34.13 H new ATOM 1480 N LYS A 93 9.274 3.048 -5.685 1.00 55.21 N ATOM 1481 CA LYS A 93 8.497 4.299 -5.844 1.00 43.32 C ATOM 1482 C LYS A 93 8.065 4.833 -4.470 1.00 60.21 C ATOM 1483 O LYS A 93 8.171 6.028 -4.196 1.00 2.45 O ATOM 1484 CB LYS A 93 7.244 4.046 -6.725 1.00 23.11 C ATOM 1485 CG LYS A 93 7.521 3.910 -8.235 1.00 34.32 C ATOM 1486 CD LYS A 93 7.907 5.267 -8.874 1.00 51.14 C ATOM 1487 CE LYS A 93 8.255 5.152 -10.366 1.00 44.25 C ATOM 1488 NZ LYS A 93 9.401 4.243 -10.592 1.00 32.11 N ATOM 0 H LYS A 93 8.828 2.233 -6.106 1.00 55.21 H new ATOM 0 HA LYS A 93 9.130 5.040 -6.332 1.00 43.32 H new ATOM 0 HB2 LYS A 93 6.753 3.136 -6.378 1.00 23.11 H new ATOM 0 HB3 LYS A 93 6.541 4.865 -6.573 1.00 23.11 H new ATOM 0 HG2 LYS A 93 8.325 3.192 -8.394 1.00 34.32 H new ATOM 0 HG3 LYS A 93 6.636 3.513 -8.732 1.00 34.32 H new ATOM 0 HD2 LYS A 93 7.081 5.967 -8.753 1.00 51.14 H new ATOM 0 HD3 LYS A 93 8.760 5.684 -8.339 1.00 51.14 H new ATOM 0 HE2 LYS A 93 7.387 4.787 -10.915 1.00 44.25 H new ATOM 0 HE3 LYS A 93 8.490 6.140 -10.762 1.00 44.25 H new ATOM 0 HZ1 LYS A 93 9.914 4.537 -11.448 1.00 32.11 H new ATOM 0 HZ2 LYS A 93 10.042 4.282 -9.774 1.00 32.11 H new ATOM 0 HZ3 LYS A 93 9.054 3.270 -10.714 1.00 32.11 H new ATOM 1502 N ALA A 94 7.607 3.903 -3.618 1.00 44.10 N ATOM 1503 CA ALA A 94 7.152 4.195 -2.254 1.00 52.45 C ATOM 1504 C ALA A 94 8.310 4.697 -1.373 1.00 62.03 C ATOM 1505 O ALA A 94 8.091 5.519 -0.477 1.00 73.11 O ATOM 1506 CB ALA A 94 6.495 2.944 -1.661 1.00 72.40 C ATOM 0 H ALA A 94 7.542 2.915 -3.862 1.00 44.10 H new ATOM 0 HA ALA A 94 6.415 4.997 -2.289 1.00 52.45 H new ATOM 0 HB1 ALA A 94 6.156 3.157 -0.647 1.00 72.40 H new ATOM 0 HB2 ALA A 94 5.643 2.655 -2.276 1.00 72.40 H new ATOM 0 HB3 ALA A 94 7.219 2.129 -1.638 1.00 72.40 H new ATOM 1512 N GLU A 95 9.543 4.201 -1.658 1.00 41.32 N ATOM 1513 CA GLU A 95 10.777 4.698 -1.025 1.00 72.20 C ATOM 1514 C GLU A 95 10.998 6.161 -1.428 1.00 11.24 C ATOM 1515 O GLU A 95 11.150 7.024 -0.569 1.00 3.54 O ATOM 1516 CB GLU A 95 12.018 3.858 -1.456 1.00 50.15 C ATOM 1517 CG GLU A 95 12.025 2.384 -1.011 1.00 43.21 C ATOM 1518 CD GLU A 95 11.996 2.188 0.517 1.00 63.51 C ATOM 1519 OE1 GLU A 95 12.937 2.660 1.201 1.00 12.55 O ATOM 1520 OE2 GLU A 95 11.072 1.522 1.040 1.00 22.33 O ATOM 0 H GLU A 95 9.701 3.450 -2.330 1.00 41.32 H new ATOM 0 HA GLU A 95 10.663 4.611 0.056 1.00 72.20 H new ATOM 0 HB2 GLU A 95 12.093 3.889 -2.543 1.00 50.15 H new ATOM 0 HB3 GLU A 95 12.913 4.340 -1.061 1.00 50.15 H new ATOM 0 HG2 GLU A 95 11.163 1.880 -1.448 1.00 43.21 H new ATOM 0 HG3 GLU A 95 12.915 1.899 -1.412 1.00 43.21 H new ATOM 1527 N GLU A 96 10.949 6.414 -2.760 1.00 43.12 N ATOM 1528 CA GLU A 96 11.217 7.741 -3.356 1.00 12.21 C ATOM 1529 C GLU A 96 10.302 8.818 -2.757 1.00 71.12 C ATOM 1530 O GLU A 96 10.770 9.891 -2.367 1.00 43.43 O ATOM 1531 CB GLU A 96 11.035 7.704 -4.897 1.00 61.33 C ATOM 1532 CG GLU A 96 12.036 6.803 -5.641 1.00 5.33 C ATOM 1533 CD GLU A 96 13.512 7.216 -5.453 1.00 71.31 C ATOM 1534 OE1 GLU A 96 13.970 8.159 -6.135 1.00 42.53 O ATOM 1535 OE2 GLU A 96 14.226 6.598 -4.633 1.00 54.31 O ATOM 0 H GLU A 96 10.721 5.699 -3.451 1.00 43.12 H new ATOM 0 HA GLU A 96 12.252 7.995 -3.125 1.00 12.21 H new ATOM 0 HB2 GLU A 96 10.024 7.364 -5.122 1.00 61.33 H new ATOM 0 HB3 GLU A 96 11.123 8.719 -5.284 1.00 61.33 H new ATOM 0 HG2 GLU A 96 11.910 5.776 -5.297 1.00 5.33 H new ATOM 0 HG3 GLU A 96 11.799 6.815 -6.705 1.00 5.33 H new ATOM 1542 N TRP A 97 9.001 8.489 -2.667 1.00 31.21 N ATOM 1543 CA TRP A 97 7.970 9.404 -2.156 1.00 0.11 C ATOM 1544 C TRP A 97 8.181 9.693 -0.670 1.00 33.25 C ATOM 1545 O TRP A 97 8.160 10.853 -0.252 1.00 10.53 O ATOM 1546 CB TRP A 97 6.561 8.813 -2.389 1.00 43.32 C ATOM 1547 CG TRP A 97 6.234 8.555 -3.837 1.00 22.30 C ATOM 1548 CD1 TRP A 97 6.810 9.131 -4.936 1.00 64.43 C ATOM 1549 CD2 TRP A 97 5.236 7.664 -4.333 1.00 11.03 C ATOM 1550 NE1 TRP A 97 6.248 8.632 -6.075 1.00 24.11 N ATOM 1551 CE2 TRP A 97 5.274 7.737 -5.734 1.00 11.20 C ATOM 1552 CE3 TRP A 97 4.319 6.811 -3.724 1.00 12.15 C ATOM 1553 CZ2 TRP A 97 4.429 6.989 -6.537 1.00 44.21 C ATOM 1554 CZ3 TRP A 97 3.482 6.067 -4.523 1.00 12.53 C ATOM 1555 CH2 TRP A 97 3.544 6.162 -5.916 1.00 22.12 C ATOM 0 H TRP A 97 8.636 7.579 -2.948 1.00 31.21 H new ATOM 0 HA TRP A 97 8.053 10.344 -2.702 1.00 0.11 H new ATOM 0 HB2 TRP A 97 6.475 7.878 -1.836 1.00 43.32 H new ATOM 0 HB3 TRP A 97 5.819 9.497 -1.976 1.00 43.32 H new ATOM 0 HD1 TRP A 97 7.595 9.872 -4.907 1.00 64.43 H new ATOM 0 HE1 TRP A 97 6.512 8.886 -7.027 1.00 24.11 H new ATOM 0 HE3 TRP A 97 4.266 6.735 -2.648 1.00 12.15 H new ATOM 0 HZ2 TRP A 97 4.471 7.059 -7.614 1.00 44.21 H new ATOM 0 HZ3 TRP A 97 2.766 5.399 -4.067 1.00 12.53 H new ATOM 0 HH2 TRP A 97 2.873 5.564 -6.515 1.00 22.12 H new ATOM 1566 N LEU A 98 8.421 8.617 0.104 1.00 35.32 N ATOM 1567 CA LEU A 98 8.597 8.691 1.562 1.00 33.52 C ATOM 1568 C LEU A 98 9.805 9.575 1.927 1.00 51.32 C ATOM 1569 O LEU A 98 9.716 10.393 2.846 1.00 60.14 O ATOM 1570 CB LEU A 98 8.753 7.269 2.161 1.00 31.53 C ATOM 1571 CG LEU A 98 8.828 7.183 3.720 1.00 12.03 C ATOM 1572 CD1 LEU A 98 7.603 7.860 4.385 1.00 43.24 C ATOM 1573 CD2 LEU A 98 8.996 5.717 4.180 1.00 3.12 C ATOM 0 H LEU A 98 8.498 7.671 -0.268 1.00 35.32 H new ATOM 0 HA LEU A 98 7.706 9.149 1.991 1.00 33.52 H new ATOM 0 HB2 LEU A 98 7.913 6.661 1.824 1.00 31.53 H new ATOM 0 HB3 LEU A 98 9.657 6.821 1.749 1.00 31.53 H new ATOM 0 HG LEU A 98 9.710 7.734 4.047 1.00 12.03 H new ATOM 0 HD11 LEU A 98 7.688 7.782 5.469 1.00 43.24 H new ATOM 0 HD12 LEU A 98 7.568 8.911 4.099 1.00 43.24 H new ATOM 0 HD13 LEU A 98 6.690 7.364 4.056 1.00 43.24 H new ATOM 0 HD21 LEU A 98 9.046 5.681 5.268 1.00 3.12 H new ATOM 0 HD22 LEU A 98 8.146 5.128 3.836 1.00 3.12 H new ATOM 0 HD23 LEU A 98 9.915 5.307 3.761 1.00 3.12 H new ATOM 1585 N GLN A 99 10.910 9.420 1.159 1.00 35.14 N ATOM 1586 CA GLN A 99 12.152 10.196 1.368 1.00 70.34 C ATOM 1587 C GLN A 99 11.988 11.634 0.849 1.00 3.44 C ATOM 1588 O GLN A 99 12.597 12.563 1.392 1.00 13.12 O ATOM 1589 CB GLN A 99 13.376 9.521 0.681 1.00 52.14 C ATOM 1590 CG GLN A 99 13.608 8.035 1.052 1.00 73.31 C ATOM 1591 CD GLN A 99 13.643 7.727 2.556 1.00 21.11 C ATOM 1592 OE1 GLN A 99 14.053 8.554 3.376 1.00 30.41 O ATOM 1593 NE2 GLN A 99 13.218 6.524 2.930 1.00 35.45 N ATOM 0 H GLN A 99 10.964 8.759 0.384 1.00 35.14 H new ATOM 0 HA GLN A 99 12.339 10.222 2.441 1.00 70.34 H new ATOM 0 HB2 GLN A 99 13.251 9.593 -0.399 1.00 52.14 H new ATOM 0 HB3 GLN A 99 14.272 10.086 0.936 1.00 52.14 H new ATOM 0 HG2 GLN A 99 12.820 7.437 0.595 1.00 73.31 H new ATOM 0 HG3 GLN A 99 14.551 7.711 0.610 1.00 73.31 H new ATOM 0 HE21 GLN A 99 12.885 5.861 2.231 1.00 35.45 H new ATOM 0 HE22 GLN A 99 13.225 6.264 3.916 1.00 35.45 H new ATOM 1602 N ALA A 100 11.156 11.810 -0.205 1.00 33.44 N ATOM 1603 CA ALA A 100 10.863 13.139 -0.794 1.00 43.34 C ATOM 1604 C ALA A 100 10.128 14.026 0.220 1.00 34.41 C ATOM 1605 O ALA A 100 10.309 15.247 0.245 1.00 72.32 O ATOM 1606 CB ALA A 100 10.039 12.992 -2.088 1.00 24.54 C ATOM 0 H ALA A 100 10.672 11.041 -0.668 1.00 33.44 H new ATOM 0 HA ALA A 100 11.809 13.618 -1.047 1.00 43.34 H new ATOM 0 HB1 ALA A 100 9.835 13.979 -2.504 1.00 24.54 H new ATOM 0 HB2 ALA A 100 10.601 12.402 -2.812 1.00 24.54 H new ATOM 0 HB3 ALA A 100 9.097 12.491 -1.865 1.00 24.54 H new ATOM 1612 N GLU A 101 9.298 13.383 1.052 1.00 73.11 N ATOM 1613 CA GLU A 101 8.528 14.050 2.109 1.00 74.24 C ATOM 1614 C GLU A 101 9.406 14.418 3.324 1.00 23.13 C ATOM 1615 O GLU A 101 9.027 15.286 4.120 1.00 52.13 O ATOM 1616 CB GLU A 101 7.370 13.132 2.543 1.00 14.45 C ATOM 1617 CG GLU A 101 6.339 12.816 1.442 1.00 32.12 C ATOM 1618 CD GLU A 101 5.595 14.054 0.915 1.00 14.34 C ATOM 1619 OE1 GLU A 101 4.775 14.629 1.667 1.00 33.23 O ATOM 1620 OE2 GLU A 101 5.837 14.477 -0.238 1.00 11.02 O ATOM 0 H GLU A 101 9.141 12.376 1.009 1.00 73.11 H new ATOM 0 HA GLU A 101 8.135 14.984 1.708 1.00 74.24 H new ATOM 0 HB2 GLU A 101 7.788 12.194 2.908 1.00 14.45 H new ATOM 0 HB3 GLU A 101 6.852 13.598 3.381 1.00 14.45 H new ATOM 0 HG2 GLU A 101 6.847 12.328 0.611 1.00 32.12 H new ATOM 0 HG3 GLU A 101 5.611 12.105 1.832 1.00 32.12 H new