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 -152:sc= -0.189 (180deg=-0.832) USER MOD Single : A 29 TYR OH : rot 29:sc= -0.251 USER MOD Single : A 30 ASN : amide:sc= 0.542 K(o=0.54,f=-0.015) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0327) USER MOD Single : A 36 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.5) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0488 (180deg=-0.278) USER MOD Single : A 38 MET CE :methyl 135:sc= -0.779 (180deg=-1.92!) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc=-0.000778 (180deg=-0.0828) 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= 0.0983 K(o=0.098,f=-0.76) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -102:sc= 1.39 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0.735 (180deg=0.564) USER MOD Single : A 76 THR OG1 : rot 13:sc= 0.218 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 167:sc= -1.61 (180deg=-1.98!) USER MOD Single : A 92 LYS NZ :NH3+ 140:sc= -0.194 (180deg=-1.72!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.375 K(o=-0.37,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.074 9.055 1.205 1.00 4.44 N ATOM 369 CA MET A 24 -9.738 7.701 0.731 1.00 22.43 C ATOM 370 C MET A 24 -8.214 7.470 0.841 1.00 52.34 C ATOM 371 O MET A 24 -7.555 8.093 1.683 1.00 42.51 O ATOM 372 CB MET A 24 -10.297 7.524 -0.710 1.00 31.42 C ATOM 373 CG MET A 24 -11.819 7.295 -0.789 1.00 33.45 C ATOM 374 SD MET A 24 -12.508 7.729 -2.396 1.00 41.31 S ATOM 375 CE MET A 24 -12.255 9.509 -2.399 1.00 4.32 C ATOM 0 HA MET A 24 -10.203 6.936 1.353 1.00 22.43 H new ATOM 0 HB2 MET A 24 -10.046 8.410 -1.293 1.00 31.42 H new ATOM 0 HB3 MET A 24 -9.792 6.680 -1.179 1.00 31.42 H new ATOM 0 HG2 MET A 24 -12.036 6.248 -0.577 1.00 33.45 H new ATOM 0 HG3 MET A 24 -12.311 7.886 -0.016 1.00 33.45 H new ATOM 0 HE1 MET A 24 -13.015 9.983 -3.020 1.00 4.32 H new ATOM 0 HE2 MET A 24 -12.330 9.889 -1.380 1.00 4.32 H new ATOM 0 HE3 MET A 24 -11.266 9.735 -2.798 1.00 4.32 H new ATOM 385 N GLY A 25 -7.661 6.565 0.011 1.00 45.32 N ATOM 386 CA GLY A 25 -6.279 6.093 0.134 1.00 13.13 C ATOM 387 C GLY A 25 -6.144 4.996 1.185 1.00 51.22 C ATOM 388 O GLY A 25 -5.783 3.851 0.868 1.00 41.52 O ATOM 0 H GLY A 25 -8.168 6.142 -0.766 1.00 45.32 H new ATOM 0 HA2 GLY A 25 -5.937 5.716 -0.830 1.00 13.13 H new ATOM 0 HA3 GLY A 25 -5.632 6.930 0.397 1.00 13.13 H new ATOM 392 N ARG A 26 -6.508 5.356 2.430 1.00 31.23 N ATOM 393 CA ARG A 26 -6.413 4.497 3.618 1.00 44.04 C ATOM 394 C ARG A 26 -7.279 3.230 3.471 1.00 52.25 C ATOM 395 O ARG A 26 -6.929 2.179 4.004 1.00 42.20 O ATOM 396 CB ARG A 26 -6.842 5.299 4.884 1.00 73.03 C ATOM 397 CG ARG A 26 -6.470 4.637 6.235 1.00 33.41 C ATOM 398 CD ARG A 26 -6.989 5.440 7.446 1.00 12.13 C ATOM 399 NE ARG A 26 -6.371 5.022 8.714 1.00 3.45 N ATOM 400 CZ ARG A 26 -5.420 5.711 9.375 1.00 51.31 C ATOM 401 NH1 ARG A 26 -4.963 6.870 8.906 1.00 51.35 N ATOM 402 NH2 ARG A 26 -4.947 5.244 10.507 1.00 45.11 N ATOM 0 H ARG A 26 -6.887 6.280 2.640 1.00 31.23 H new ATOM 0 HA ARG A 26 -5.376 4.178 3.724 1.00 44.04 H new ATOM 0 HB2 ARG A 26 -6.384 6.287 4.842 1.00 73.03 H new ATOM 0 HB3 ARG A 26 -7.922 5.447 4.854 1.00 73.03 H new ATOM 0 HG2 ARG A 26 -6.882 3.628 6.268 1.00 33.41 H new ATOM 0 HG3 ARG A 26 -5.386 4.541 6.303 1.00 33.41 H new ATOM 0 HD2 ARG A 26 -6.794 6.500 7.284 1.00 12.13 H new ATOM 0 HD3 ARG A 26 -8.070 5.322 7.518 1.00 12.13 H new ATOM 0 HE ARG A 26 -6.687 4.143 9.124 1.00 3.45 H new ATOM 0 HH11 ARG A 26 -5.333 7.249 8.034 1.00 51.35 H new ATOM 0 HH12 ARG A 26 -4.243 7.379 9.418 1.00 51.35 H new ATOM 0 HH21 ARG A 26 -5.299 4.363 10.882 1.00 45.11 H new ATOM 0 HH22 ARG A 26 -4.227 5.762 11.011 1.00 45.11 H new ATOM 416 N ALA A 27 -8.405 3.345 2.740 1.00 73.11 N ATOM 417 CA ALA A 27 -9.317 2.219 2.515 1.00 33.23 C ATOM 418 C ALA A 27 -8.639 1.133 1.660 1.00 13.44 C ATOM 419 O ALA A 27 -8.682 -0.030 2.051 1.00 13.25 O ATOM 420 CB ALA A 27 -10.645 2.686 1.908 1.00 61.41 C ATOM 0 H ALA A 27 -8.701 4.214 2.295 1.00 73.11 H new ATOM 0 HA ALA A 27 -9.554 1.774 3.481 1.00 33.23 H new ATOM 0 HB1 ALA A 27 -11.297 1.826 1.754 1.00 61.41 H new ATOM 0 HB2 ALA A 27 -11.127 3.391 2.586 1.00 61.41 H new ATOM 0 HB3 ALA A 27 -10.456 3.174 0.952 1.00 61.41 H new ATOM 426 N LEU A 28 -7.959 1.520 0.530 1.00 11.43 N ATOM 427 CA LEU A 28 -7.158 0.554 -0.289 1.00 31.10 C ATOM 428 C LEU A 28 -6.041 -0.088 0.552 1.00 3.25 C ATOM 429 O LEU A 28 -5.660 -1.227 0.304 1.00 42.41 O ATOM 430 CB LEU A 28 -6.514 1.197 -1.563 1.00 34.53 C ATOM 431 CG LEU A 28 -7.437 1.462 -2.793 1.00 62.12 C ATOM 432 CD1 LEU A 28 -6.628 1.965 -4.008 1.00 54.22 C ATOM 433 CD2 LEU A 28 -8.318 0.253 -3.157 1.00 44.43 C ATOM 0 H LEU A 28 -7.951 2.476 0.174 1.00 11.43 H new ATOM 0 HA LEU A 28 -7.871 -0.201 -0.620 1.00 31.10 H new ATOM 0 HB2 LEU A 28 -6.068 2.147 -1.269 1.00 34.53 H new ATOM 0 HB3 LEU A 28 -5.700 0.550 -1.889 1.00 34.53 H new ATOM 0 HG LEU A 28 -8.122 2.256 -2.496 1.00 62.12 H new ATOM 0 HD11 LEU A 28 -7.302 2.139 -4.847 1.00 54.22 H new ATOM 0 HD12 LEU A 28 -6.123 2.895 -3.749 1.00 54.22 H new ATOM 0 HD13 LEU A 28 -5.887 1.216 -4.287 1.00 54.22 H new ATOM 0 HD21 LEU A 28 -8.937 0.500 -4.020 1.00 44.43 H new ATOM 0 HD22 LEU A 28 -7.684 -0.600 -3.398 1.00 44.43 H new ATOM 0 HD23 LEU A 28 -8.958 0.002 -2.312 1.00 44.43 H new ATOM 445 N TYR A 29 -5.508 0.679 1.525 1.00 33.23 N ATOM 446 CA TYR A 29 -4.481 0.196 2.467 1.00 2.21 C ATOM 447 C TYR A 29 -5.042 -0.965 3.323 1.00 71.13 C ATOM 448 O TYR A 29 -4.408 -2.014 3.426 1.00 25.32 O ATOM 449 CB TYR A 29 -3.968 1.365 3.364 1.00 61.40 C ATOM 450 CG TYR A 29 -2.907 0.952 4.396 1.00 72.14 C ATOM 451 CD1 TYR A 29 -1.636 0.562 3.981 1.00 44.33 C ATOM 452 CD2 TYR A 29 -3.178 0.923 5.769 1.00 13.22 C ATOM 453 CE1 TYR A 29 -0.680 0.166 4.880 1.00 44.52 C ATOM 454 CE2 TYR A 29 -2.213 0.520 6.674 1.00 72.12 C ATOM 455 CZ TYR A 29 -0.968 0.144 6.216 1.00 54.32 C ATOM 456 OH TYR A 29 -0.003 -0.271 7.104 1.00 45.21 O ATOM 0 H TYR A 29 -5.778 1.650 1.679 1.00 33.23 H new ATOM 0 HA TYR A 29 -3.632 -0.184 1.898 1.00 2.21 H new ATOM 0 HB2 TYR A 29 -3.552 2.143 2.724 1.00 61.40 H new ATOM 0 HB3 TYR A 29 -4.817 1.804 3.889 1.00 61.40 H new ATOM 0 HD1 TYR A 29 -1.398 0.572 2.928 1.00 44.33 H new ATOM 0 HD2 TYR A 29 -4.153 1.219 6.126 1.00 13.22 H new ATOM 0 HE1 TYR A 29 0.300 -0.128 4.533 1.00 44.52 H new ATOM 0 HE2 TYR A 29 -2.433 0.500 7.731 1.00 72.12 H new ATOM 0 HH TYR A 29 0.885 -0.070 6.740 1.00 45.21 H new ATOM 466 N ASN A 30 -6.256 -0.771 3.894 1.00 63.23 N ATOM 467 CA ASN A 30 -6.939 -1.799 4.729 1.00 3.50 C ATOM 468 C ASN A 30 -7.304 -3.043 3.899 1.00 13.34 C ATOM 469 O ASN A 30 -7.216 -4.170 4.389 1.00 63.24 O ATOM 470 CB ASN A 30 -8.212 -1.223 5.416 1.00 4.15 C ATOM 471 CG ASN A 30 -7.891 -0.278 6.571 1.00 24.41 C ATOM 472 OD1 ASN A 30 -7.674 -0.715 7.701 1.00 24.14 O ATOM 473 ND2 ASN A 30 -7.883 1.019 6.323 1.00 53.22 N ATOM 0 H ASN A 30 -6.788 0.093 3.792 1.00 63.23 H new ATOM 0 HA ASN A 30 -6.235 -2.096 5.506 1.00 3.50 H new ATOM 0 HB2 ASN A 30 -8.809 -0.692 4.675 1.00 4.15 H new ATOM 0 HB3 ASN A 30 -8.822 -2.047 5.787 1.00 4.15 H new ATOM 0 HD21 ASN A 30 -7.694 1.681 7.076 1.00 53.22 H new ATOM 0 HD22 ASN A 30 -8.065 1.359 5.379 1.00 53.22 H new ATOM 480 N ILE A 31 -7.709 -2.803 2.638 1.00 72.31 N ATOM 481 CA ILE A 31 -8.040 -3.863 1.670 1.00 61.33 C ATOM 482 C ILE A 31 -6.778 -4.686 1.351 1.00 53.02 C ATOM 483 O ILE A 31 -6.823 -5.917 1.331 1.00 11.45 O ATOM 484 CB ILE A 31 -8.647 -3.249 0.345 1.00 14.42 C ATOM 485 CG1 ILE A 31 -9.963 -2.477 0.659 1.00 10.33 C ATOM 486 CG2 ILE A 31 -8.891 -4.330 -0.734 1.00 11.43 C ATOM 487 CD1 ILE A 31 -10.511 -1.639 -0.485 1.00 53.33 C ATOM 0 H ILE A 31 -7.816 -1.861 2.261 1.00 72.31 H new ATOM 0 HA ILE A 31 -8.792 -4.516 2.112 1.00 61.33 H new ATOM 0 HB ILE A 31 -7.915 -2.549 -0.059 1.00 14.42 H new ATOM 0 HG12 ILE A 31 -10.725 -3.197 0.958 1.00 10.33 H new ATOM 0 HG13 ILE A 31 -9.787 -1.825 1.514 1.00 10.33 H new ATOM 0 HG21 ILE A 31 -9.308 -3.865 -1.627 1.00 11.43 H new ATOM 0 HG22 ILE A 31 -7.947 -4.814 -0.984 1.00 11.43 H new ATOM 0 HG23 ILE A 31 -9.590 -5.074 -0.352 1.00 11.43 H new ATOM 0 HD11 ILE A 31 -11.427 -1.142 -0.166 1.00 53.33 H new ATOM 0 HD12 ILE A 31 -9.774 -0.890 -0.773 1.00 53.33 H new ATOM 0 HD13 ILE A 31 -10.726 -2.283 -1.338 1.00 53.33 H new ATOM 499 N GLY A 32 -5.655 -3.973 1.153 1.00 42.32 N ATOM 500 CA GLY A 32 -4.363 -4.579 0.874 1.00 1.15 C ATOM 501 C GLY A 32 -3.883 -5.455 2.021 1.00 64.44 C ATOM 502 O GLY A 32 -3.299 -6.512 1.788 1.00 52.44 O ATOM 0 H GLY A 32 -5.630 -2.954 1.185 1.00 42.32 H new ATOM 0 HA2 GLY A 32 -4.432 -5.177 -0.034 1.00 1.15 H new ATOM 0 HA3 GLY A 32 -3.629 -3.796 0.685 1.00 1.15 H new ATOM 506 N LEU A 33 -4.142 -4.988 3.268 1.00 32.41 N ATOM 507 CA LEU A 33 -3.807 -5.731 4.499 1.00 53.52 C ATOM 508 C LEU A 33 -4.484 -7.107 4.492 1.00 50.00 C ATOM 509 O LEU A 33 -3.842 -8.103 4.824 1.00 1.22 O ATOM 510 CB LEU A 33 -4.197 -4.919 5.775 1.00 21.32 C ATOM 511 CG LEU A 33 -3.344 -3.637 6.045 1.00 34.15 C ATOM 512 CD1 LEU A 33 -3.943 -2.789 7.183 1.00 44.25 C ATOM 513 CD2 LEU A 33 -1.868 -3.994 6.338 1.00 1.25 C ATOM 0 H LEU A 33 -4.588 -4.088 3.443 1.00 32.41 H new ATOM 0 HA LEU A 33 -2.727 -5.879 4.524 1.00 53.52 H new ATOM 0 HB2 LEU A 33 -5.244 -4.627 5.692 1.00 21.32 H new ATOM 0 HB3 LEU A 33 -4.117 -5.576 6.641 1.00 21.32 H new ATOM 0 HG LEU A 33 -3.368 -3.035 5.136 1.00 34.15 H new ATOM 0 HD11 LEU A 33 -3.324 -1.906 7.343 1.00 44.25 H new ATOM 0 HD12 LEU A 33 -4.953 -2.480 6.914 1.00 44.25 H new ATOM 0 HD13 LEU A 33 -3.976 -3.380 8.098 1.00 44.25 H new ATOM 0 HD21 LEU A 33 -1.302 -3.081 6.521 1.00 1.25 H new ATOM 0 HD22 LEU A 33 -1.817 -4.635 7.218 1.00 1.25 H new ATOM 0 HD23 LEU A 33 -1.444 -4.518 5.482 1.00 1.25 H new ATOM 525 N GLU A 34 -5.764 -7.144 4.060 1.00 44.11 N ATOM 526 CA GLU A 34 -6.551 -8.390 3.942 1.00 3.45 C ATOM 527 C GLU A 34 -5.856 -9.397 3.006 1.00 14.10 C ATOM 528 O GLU A 34 -5.687 -10.566 3.369 1.00 71.23 O ATOM 529 CB GLU A 34 -7.988 -8.072 3.433 1.00 50.42 C ATOM 530 CG GLU A 34 -8.797 -7.114 4.331 1.00 44.42 C ATOM 531 CD GLU A 34 -9.044 -7.679 5.737 1.00 64.34 C ATOM 532 OE1 GLU A 34 -8.215 -7.454 6.650 1.00 72.13 O ATOM 533 OE2 GLU A 34 -10.060 -8.379 5.935 1.00 74.25 O ATOM 0 H GLU A 34 -6.280 -6.309 3.783 1.00 44.11 H new ATOM 0 HA GLU A 34 -6.621 -8.845 4.930 1.00 3.45 H new ATOM 0 HB2 GLU A 34 -7.917 -7.639 2.435 1.00 50.42 H new ATOM 0 HB3 GLU A 34 -8.539 -9.008 3.336 1.00 50.42 H new ATOM 0 HG2 GLU A 34 -8.265 -6.166 4.414 1.00 44.42 H new ATOM 0 HG3 GLU A 34 -9.755 -6.902 3.857 1.00 44.42 H new ATOM 540 N LYS A 35 -5.431 -8.916 1.812 1.00 2.20 N ATOM 541 CA LYS A 35 -4.717 -9.744 0.810 1.00 72.34 C ATOM 542 C LYS A 35 -3.410 -10.305 1.406 1.00 12.11 C ATOM 543 O LYS A 35 -3.166 -11.507 1.356 1.00 51.02 O ATOM 544 CB LYS A 35 -4.378 -8.927 -0.485 1.00 30.23 C ATOM 545 CG LYS A 35 -5.510 -8.744 -1.511 1.00 42.05 C ATOM 546 CD LYS A 35 -6.692 -7.924 -0.980 1.00 15.23 C ATOM 547 CE LYS A 35 -7.725 -7.598 -2.064 1.00 35.24 C ATOM 548 NZ LYS A 35 -8.236 -8.811 -2.741 1.00 15.32 N ATOM 0 H LYS A 35 -5.572 -7.950 1.518 1.00 2.20 H new ATOM 0 HA LYS A 35 -5.383 -10.563 0.539 1.00 72.34 H new ATOM 0 HB2 LYS A 35 -4.033 -7.939 -0.181 1.00 30.23 H new ATOM 0 HB3 LYS A 35 -3.543 -9.417 -0.986 1.00 30.23 H new ATOM 0 HG2 LYS A 35 -5.109 -8.255 -2.399 1.00 42.05 H new ATOM 0 HG3 LYS A 35 -5.869 -9.725 -1.822 1.00 42.05 H new ATOM 0 HD2 LYS A 35 -7.178 -8.476 -0.176 1.00 15.23 H new ATOM 0 HD3 LYS A 35 -6.319 -6.995 -0.549 1.00 15.23 H new ATOM 0 HE2 LYS A 35 -8.559 -7.057 -1.616 1.00 35.24 H new ATOM 0 HE3 LYS A 35 -7.275 -6.935 -2.803 1.00 35.24 H new ATOM 0 HZ1 LYS A 35 -9.003 -8.548 -3.392 1.00 15.32 H new ATOM 0 HZ2 LYS A 35 -7.466 -9.260 -3.276 1.00 15.32 H new ATOM 0 HZ3 LYS A 35 -8.599 -9.478 -2.031 1.00 15.32 H new ATOM 562 N ASN A 36 -2.620 -9.399 2.013 1.00 41.53 N ATOM 563 CA ASN A 36 -1.270 -9.692 2.537 1.00 5.32 C ATOM 564 C ASN A 36 -1.322 -10.801 3.607 1.00 2.05 C ATOM 565 O ASN A 36 -0.526 -11.745 3.579 1.00 42.14 O ATOM 566 CB ASN A 36 -0.644 -8.390 3.126 1.00 23.23 C ATOM 567 CG ASN A 36 0.824 -8.525 3.548 1.00 52.04 C ATOM 568 OD1 ASN A 36 1.586 -9.314 2.989 1.00 43.43 O ATOM 569 ND2 ASN A 36 1.241 -7.737 4.531 1.00 34.13 N ATOM 0 H ASN A 36 -2.904 -8.430 2.156 1.00 41.53 H new ATOM 0 HA ASN A 36 -0.646 -10.050 1.718 1.00 5.32 H new ATOM 0 HB2 ASN A 36 -0.724 -7.596 2.384 1.00 23.23 H new ATOM 0 HB3 ASN A 36 -1.230 -8.079 3.991 1.00 23.23 H new ATOM 0 HD21 ASN A 36 2.213 -7.777 4.839 1.00 34.13 H new ATOM 0 HD22 ASN A 36 0.590 -7.092 4.978 1.00 34.13 H new ATOM 576 N LYS A 37 -2.321 -10.698 4.501 1.00 21.31 N ATOM 577 CA LYS A 37 -2.530 -11.642 5.613 1.00 65.21 C ATOM 578 C LYS A 37 -2.993 -13.028 5.113 1.00 3.32 C ATOM 579 O LYS A 37 -2.741 -14.045 5.775 1.00 4.51 O ATOM 580 CB LYS A 37 -3.561 -11.037 6.599 1.00 32.42 C ATOM 581 CG LYS A 37 -3.081 -9.740 7.298 1.00 42.42 C ATOM 582 CD LYS A 37 -1.945 -9.978 8.314 1.00 71.31 C ATOM 583 CE LYS A 37 -2.407 -10.803 9.530 1.00 35.13 C ATOM 584 NZ LYS A 37 -3.557 -10.169 10.234 1.00 74.42 N ATOM 0 H LYS A 37 -3.013 -9.949 4.472 1.00 21.31 H new ATOM 0 HA LYS A 37 -1.579 -11.796 6.123 1.00 65.21 H new ATOM 0 HB2 LYS A 37 -4.484 -10.826 6.059 1.00 32.42 H new ATOM 0 HB3 LYS A 37 -3.800 -11.780 7.360 1.00 32.42 H new ATOM 0 HG2 LYS A 37 -2.740 -9.033 6.542 1.00 42.42 H new ATOM 0 HG3 LYS A 37 -3.925 -9.278 7.809 1.00 42.42 H new ATOM 0 HD2 LYS A 37 -1.122 -10.494 7.820 1.00 71.31 H new ATOM 0 HD3 LYS A 37 -1.560 -9.017 8.656 1.00 71.31 H new ATOM 0 HE2 LYS A 37 -2.690 -11.803 9.202 1.00 35.13 H new ATOM 0 HE3 LYS A 37 -1.576 -10.919 10.226 1.00 35.13 H new ATOM 0 HZ1 LYS A 37 -3.684 -10.616 11.164 1.00 74.42 H new ATOM 0 HZ2 LYS A 37 -3.370 -9.154 10.360 1.00 74.42 H new ATOM 0 HZ3 LYS A 37 -4.421 -10.294 9.669 1.00 74.42 H new ATOM 598 N MET A 38 -3.667 -13.060 3.949 1.00 54.34 N ATOM 599 CA MET A 38 -4.154 -14.315 3.331 1.00 20.34 C ATOM 600 C MET A 38 -3.108 -14.930 2.381 1.00 23.31 C ATOM 601 O MET A 38 -3.256 -16.084 1.960 1.00 25.44 O ATOM 602 CB MET A 38 -5.498 -14.066 2.589 1.00 25.31 C ATOM 603 CG MET A 38 -6.652 -13.644 3.510 1.00 21.34 C ATOM 604 SD MET A 38 -8.237 -13.533 2.655 1.00 13.44 S ATOM 605 CE MET A 38 -7.953 -12.158 1.552 1.00 64.41 C ATOM 0 H MET A 38 -3.890 -12.223 3.410 1.00 54.34 H new ATOM 0 HA MET A 38 -4.324 -15.035 4.132 1.00 20.34 H new ATOM 0 HB2 MET A 38 -5.347 -13.293 1.835 1.00 25.31 H new ATOM 0 HB3 MET A 38 -5.783 -14.976 2.060 1.00 25.31 H new ATOM 0 HG2 MET A 38 -6.737 -14.360 4.328 1.00 21.34 H new ATOM 0 HG3 MET A 38 -6.418 -12.677 3.956 1.00 21.34 H new ATOM 0 HE1 MET A 38 -8.328 -12.405 0.559 1.00 64.41 H new ATOM 0 HE2 MET A 38 -8.473 -11.277 1.927 1.00 64.41 H new ATOM 0 HE3 MET A 38 -6.884 -11.952 1.496 1.00 64.41 H new ATOM 615 N GLY A 39 -2.046 -14.169 2.066 1.00 12.40 N ATOM 616 CA GLY A 39 -0.987 -14.633 1.156 1.00 12.05 C ATOM 617 C GLY A 39 -1.193 -14.173 -0.286 1.00 64.32 C ATOM 618 O GLY A 39 -0.418 -14.534 -1.177 1.00 42.33 O ATOM 0 H GLY A 39 -1.899 -13.227 2.430 1.00 12.40 H new ATOM 0 HA2 GLY A 39 -0.024 -14.269 1.513 1.00 12.05 H new ATOM 0 HA3 GLY A 39 -0.945 -15.722 1.181 1.00 12.05 H new ATOM 622 N LYS A 40 -2.233 -13.357 -0.502 1.00 13.23 N ATOM 623 CA LYS A 40 -2.541 -12.727 -1.806 1.00 32.11 C ATOM 624 C LYS A 40 -1.738 -11.410 -1.957 1.00 30.44 C ATOM 625 O LYS A 40 -2.214 -10.429 -2.543 1.00 4.33 O ATOM 626 CB LYS A 40 -4.070 -12.450 -1.875 1.00 45.14 C ATOM 627 CG LYS A 40 -4.963 -13.672 -1.582 1.00 63.44 C ATOM 628 CD LYS A 40 -6.472 -13.339 -1.644 1.00 2.54 C ATOM 629 CE LYS A 40 -7.363 -14.552 -1.318 1.00 62.24 C ATOM 630 NZ LYS A 40 -7.124 -15.691 -2.246 1.00 65.51 N ATOM 0 H LYS A 40 -2.898 -13.108 0.231 1.00 13.23 H new ATOM 0 HA LYS A 40 -2.257 -13.392 -2.622 1.00 32.11 H new ATOM 0 HB2 LYS A 40 -4.314 -11.661 -1.164 1.00 45.14 H new ATOM 0 HB3 LYS A 40 -4.312 -12.071 -2.868 1.00 45.14 H new ATOM 0 HG2 LYS A 40 -4.740 -14.460 -2.301 1.00 63.44 H new ATOM 0 HG3 LYS A 40 -4.722 -14.064 -0.594 1.00 63.44 H new ATOM 0 HD2 LYS A 40 -6.691 -12.534 -0.943 1.00 2.54 H new ATOM 0 HD3 LYS A 40 -6.718 -12.970 -2.640 1.00 2.54 H new ATOM 0 HE2 LYS A 40 -7.175 -14.874 -0.294 1.00 62.24 H new ATOM 0 HE3 LYS A 40 -8.411 -14.256 -1.371 1.00 62.24 H new ATOM 0 HZ1 LYS A 40 -7.824 -16.438 -2.066 1.00 65.51 H new ATOM 0 HZ2 LYS A 40 -7.213 -15.363 -3.229 1.00 65.51 H new ATOM 0 HZ3 LYS A 40 -6.167 -16.069 -2.093 1.00 65.51 H new ATOM 644 N ALA A 41 -0.478 -11.446 -1.483 1.00 24.43 N ATOM 645 CA ALA A 41 0.342 -10.258 -1.232 1.00 43.24 C ATOM 646 C ALA A 41 0.784 -9.542 -2.523 1.00 12.22 C ATOM 647 O ALA A 41 1.229 -8.391 -2.455 1.00 32.13 O ATOM 648 CB ALA A 41 1.548 -10.631 -0.359 1.00 14.01 C ATOM 0 H ALA A 41 0.001 -12.319 -1.262 1.00 24.43 H new ATOM 0 HA ALA A 41 -0.281 -9.542 -0.697 1.00 43.24 H new ATOM 0 HB1 ALA A 41 2.153 -9.743 -0.176 1.00 14.01 H new ATOM 0 HB2 ALA A 41 1.198 -11.034 0.592 1.00 14.01 H new ATOM 0 HB3 ALA A 41 2.150 -11.381 -0.872 1.00 14.01 H new ATOM 654 N ARG A 42 0.671 -10.225 -3.686 1.00 11.44 N ATOM 655 CA ARG A 42 0.928 -9.609 -5.007 1.00 65.54 C ATOM 656 C ARG A 42 -0.105 -8.504 -5.280 1.00 2.14 C ATOM 657 O ARG A 42 0.254 -7.399 -5.710 1.00 61.24 O ATOM 658 CB ARG A 42 0.900 -10.680 -6.138 1.00 52.21 C ATOM 659 CG ARG A 42 0.979 -10.112 -7.576 1.00 23.11 C ATOM 660 CD ARG A 42 2.347 -9.481 -7.934 1.00 31.33 C ATOM 661 NE ARG A 42 2.279 -8.641 -9.157 1.00 51.24 N ATOM 662 CZ ARG A 42 1.937 -9.056 -10.396 1.00 2.34 C ATOM 663 NH1 ARG A 42 1.631 -10.317 -10.668 1.00 41.52 N ATOM 664 NH2 ARG A 42 1.877 -8.174 -11.369 1.00 35.31 N ATOM 0 H ARG A 42 0.402 -11.208 -3.735 1.00 11.44 H new ATOM 0 HA ARG A 42 1.924 -9.165 -4.994 1.00 65.54 H new ATOM 0 HB2 ARG A 42 1.733 -11.367 -5.988 1.00 52.21 H new ATOM 0 HB3 ARG A 42 -0.016 -11.263 -6.043 1.00 52.21 H new ATOM 0 HG2 ARG A 42 0.765 -10.913 -8.283 1.00 23.11 H new ATOM 0 HG3 ARG A 42 0.200 -9.359 -7.701 1.00 23.11 H new ATOM 0 HD2 ARG A 42 2.694 -8.874 -7.098 1.00 31.33 H new ATOM 0 HD3 ARG A 42 3.082 -10.272 -8.080 1.00 31.33 H new ATOM 0 HE ARG A 42 2.514 -7.654 -9.051 1.00 51.24 H new ATOM 0 HH11 ARG A 42 1.648 -11.017 -9.927 1.00 41.52 H new ATOM 0 HH12 ARG A 42 1.378 -10.587 -11.619 1.00 41.52 H new ATOM 0 HH21 ARG A 42 2.087 -7.194 -11.182 1.00 35.31 H new ATOM 0 HH22 ARG A 42 1.620 -8.470 -12.311 1.00 35.31 H new ATOM 678 N GLU A 43 -1.387 -8.819 -5.021 1.00 61.43 N ATOM 679 CA GLU A 43 -2.480 -7.851 -5.159 1.00 11.05 C ATOM 680 C GLU A 43 -2.365 -6.786 -4.070 1.00 1.04 C ATOM 681 O GLU A 43 -2.560 -5.602 -4.340 1.00 74.14 O ATOM 682 CB GLU A 43 -3.879 -8.527 -5.104 1.00 41.32 C ATOM 683 CG GLU A 43 -4.131 -9.611 -6.185 1.00 72.20 C ATOM 684 CD GLU A 43 -3.592 -11.005 -5.807 1.00 65.13 C ATOM 685 OE1 GLU A 43 -4.330 -11.769 -5.161 1.00 60.13 O ATOM 686 OE2 GLU A 43 -2.430 -11.336 -6.137 1.00 63.54 O ATOM 0 H GLU A 43 -1.688 -9.744 -4.713 1.00 61.43 H new ATOM 0 HA GLU A 43 -2.388 -7.387 -6.141 1.00 11.05 H new ATOM 0 HB2 GLU A 43 -4.008 -8.980 -4.121 1.00 41.32 H new ATOM 0 HB3 GLU A 43 -4.642 -7.755 -5.202 1.00 41.32 H new ATOM 0 HG2 GLU A 43 -5.203 -9.684 -6.370 1.00 72.20 H new ATOM 0 HG3 GLU A 43 -3.667 -9.294 -7.119 1.00 72.20 H new ATOM 693 N ALA A 44 -1.992 -7.230 -2.841 1.00 31.34 N ATOM 694 CA ALA A 44 -1.792 -6.349 -1.670 1.00 52.44 C ATOM 695 C ALA A 44 -0.825 -5.216 -1.993 1.00 72.42 C ATOM 696 O ALA A 44 -1.097 -4.065 -1.672 1.00 24.51 O ATOM 697 CB ALA A 44 -1.257 -7.138 -0.468 1.00 1.41 C ATOM 0 H ALA A 44 -1.822 -8.215 -2.638 1.00 31.34 H new ATOM 0 HA ALA A 44 -2.765 -5.928 -1.417 1.00 52.44 H new ATOM 0 HB1 ALA A 44 -1.120 -6.464 0.378 1.00 1.41 H new ATOM 0 HB2 ALA A 44 -1.969 -7.918 -0.199 1.00 1.41 H new ATOM 0 HB3 ALA A 44 -0.301 -7.593 -0.728 1.00 1.41 H new ATOM 703 N ALA A 45 0.280 -5.579 -2.677 1.00 33.12 N ATOM 704 CA ALA A 45 1.332 -4.648 -3.086 1.00 2.34 C ATOM 705 C ALA A 45 0.761 -3.528 -3.975 1.00 74.45 C ATOM 706 O ALA A 45 1.159 -2.372 -3.838 1.00 72.12 O ATOM 707 CB ALA A 45 2.448 -5.402 -3.825 1.00 24.20 C ATOM 0 H ALA A 45 0.461 -6.542 -2.961 1.00 33.12 H new ATOM 0 HA ALA A 45 1.750 -4.188 -2.190 1.00 2.34 H new ATOM 0 HB1 ALA A 45 3.225 -4.699 -4.125 1.00 24.20 H new ATOM 0 HB2 ALA A 45 2.876 -6.157 -3.165 1.00 24.20 H new ATOM 0 HB3 ALA A 45 2.036 -5.886 -4.710 1.00 24.20 H new ATOM 713 N GLU A 46 -0.185 -3.904 -4.880 1.00 14.42 N ATOM 714 CA GLU A 46 -0.896 -2.957 -5.770 1.00 4.11 C ATOM 715 C GLU A 46 -1.739 -1.965 -4.948 1.00 44.23 C ATOM 716 O GLU A 46 -1.722 -0.760 -5.208 1.00 31.33 O ATOM 717 CB GLU A 46 -1.824 -3.709 -6.764 1.00 22.23 C ATOM 718 CG GLU A 46 -1.118 -4.729 -7.671 1.00 41.34 C ATOM 719 CD GLU A 46 -2.105 -5.430 -8.619 1.00 32.34 C ATOM 720 OE1 GLU A 46 -2.777 -6.390 -8.191 1.00 23.22 O ATOM 721 OE2 GLU A 46 -2.246 -5.001 -9.781 1.00 60.34 O ATOM 0 H GLU A 46 -0.472 -4.874 -5.009 1.00 14.42 H new ATOM 0 HA GLU A 46 -0.139 -2.412 -6.334 1.00 4.11 H new ATOM 0 HB2 GLU A 46 -2.597 -4.226 -6.195 1.00 22.23 H new ATOM 0 HB3 GLU A 46 -2.328 -2.975 -7.393 1.00 22.23 H new ATOM 0 HG2 GLU A 46 -0.349 -4.224 -8.256 1.00 41.34 H new ATOM 0 HG3 GLU A 46 -0.613 -5.474 -7.056 1.00 41.34 H new ATOM 728 N TYR A 47 -2.456 -2.501 -3.944 1.00 71.23 N ATOM 729 CA TYR A 47 -3.356 -1.717 -3.073 1.00 1.30 C ATOM 730 C TYR A 47 -2.578 -0.715 -2.203 1.00 53.50 C ATOM 731 O TYR A 47 -2.992 0.437 -2.071 1.00 13.41 O ATOM 732 CB TYR A 47 -4.209 -2.662 -2.187 1.00 5.42 C ATOM 733 CG TYR A 47 -5.335 -3.368 -2.943 1.00 42.13 C ATOM 734 CD1 TYR A 47 -6.533 -2.722 -3.163 1.00 40.01 C ATOM 735 CD2 TYR A 47 -5.197 -4.657 -3.433 1.00 25.21 C ATOM 736 CE1 TYR A 47 -7.561 -3.329 -3.843 1.00 51.11 C ATOM 737 CE2 TYR A 47 -6.214 -5.273 -4.120 1.00 62.20 C ATOM 738 CZ TYR A 47 -7.399 -4.604 -4.322 1.00 1.41 C ATOM 739 OH TYR A 47 -8.435 -5.223 -4.985 1.00 14.05 O ATOM 0 H TYR A 47 -2.429 -3.494 -3.712 1.00 71.23 H new ATOM 0 HA TYR A 47 -4.021 -1.142 -3.717 1.00 1.30 H new ATOM 0 HB2 TYR A 47 -3.557 -3.413 -1.741 1.00 5.42 H new ATOM 0 HB3 TYR A 47 -4.639 -2.086 -1.368 1.00 5.42 H new ATOM 0 HD1 TYR A 47 -6.666 -1.716 -2.793 1.00 40.01 H new ATOM 0 HD2 TYR A 47 -4.271 -5.188 -3.271 1.00 25.21 H new ATOM 0 HE1 TYR A 47 -8.492 -2.805 -4.000 1.00 51.11 H new ATOM 0 HE2 TYR A 47 -6.084 -6.276 -4.499 1.00 62.20 H new ATOM 0 HH TYR A 47 -8.157 -6.121 -5.260 1.00 14.05 H new ATOM 749 N PHE A 48 -1.445 -1.176 -1.636 1.00 31.22 N ATOM 750 CA PHE A 48 -0.548 -0.342 -0.811 1.00 30.34 C ATOM 751 C PHE A 48 0.137 0.731 -1.669 1.00 63.23 C ATOM 752 O PHE A 48 0.442 1.820 -1.182 1.00 74.02 O ATOM 753 CB PHE A 48 0.543 -1.208 -0.126 1.00 40.23 C ATOM 754 CG PHE A 48 0.033 -2.259 0.853 1.00 21.33 C ATOM 755 CD1 PHE A 48 -0.938 -1.939 1.788 1.00 61.22 C ATOM 756 CD2 PHE A 48 0.552 -3.551 0.864 1.00 31.34 C ATOM 757 CE1 PHE A 48 -1.378 -2.869 2.696 1.00 22.31 C ATOM 758 CE2 PHE A 48 0.104 -4.486 1.774 1.00 23.30 C ATOM 759 CZ PHE A 48 -0.857 -4.146 2.687 1.00 34.23 C ATOM 0 H PHE A 48 -1.126 -2.139 -1.738 1.00 31.22 H new ATOM 0 HA PHE A 48 -1.160 0.137 -0.047 1.00 30.34 H new ATOM 0 HB2 PHE A 48 1.122 -1.710 -0.901 1.00 40.23 H new ATOM 0 HB3 PHE A 48 1.227 -0.545 0.404 1.00 40.23 H new ATOM 0 HD1 PHE A 48 -1.355 -0.943 1.802 1.00 61.22 H new ATOM 0 HD2 PHE A 48 1.315 -3.825 0.151 1.00 31.34 H new ATOM 0 HE1 PHE A 48 -2.134 -2.600 3.419 1.00 22.31 H new ATOM 0 HE2 PHE A 48 0.512 -5.486 1.766 1.00 23.30 H new ATOM 0 HZ PHE A 48 -1.207 -4.877 3.400 1.00 34.23 H new ATOM 769 N PHE A 49 0.377 0.381 -2.948 1.00 51.12 N ATOM 770 CA PHE A 49 1.026 1.259 -3.934 1.00 45.33 C ATOM 771 C PHE A 49 0.119 2.442 -4.280 1.00 73.22 C ATOM 772 O PHE A 49 0.536 3.592 -4.184 1.00 42.43 O ATOM 773 CB PHE A 49 1.371 0.438 -5.209 1.00 51.53 C ATOM 774 CG PHE A 49 2.137 1.206 -6.279 1.00 34.21 C ATOM 775 CD1 PHE A 49 3.341 1.815 -5.959 1.00 44.02 C ATOM 776 CD2 PHE A 49 1.676 1.305 -7.595 1.00 21.13 C ATOM 777 CE1 PHE A 49 4.060 2.492 -6.908 1.00 21.03 C ATOM 778 CE2 PHE A 49 2.412 1.988 -8.550 1.00 21.11 C ATOM 779 CZ PHE A 49 3.607 2.583 -8.198 1.00 24.24 C ATOM 0 H PHE A 49 0.121 -0.531 -3.327 1.00 51.12 H new ATOM 0 HA PHE A 49 1.947 1.658 -3.508 1.00 45.33 H new ATOM 0 HB2 PHE A 49 1.959 -0.431 -4.915 1.00 51.53 H new ATOM 0 HB3 PHE A 49 0.444 0.064 -5.644 1.00 51.53 H new ATOM 0 HD1 PHE A 49 3.717 1.755 -4.948 1.00 44.02 H new ATOM 0 HD2 PHE A 49 0.738 0.845 -7.870 1.00 21.13 H new ATOM 0 HE1 PHE A 49 4.995 2.960 -6.636 1.00 21.03 H new ATOM 0 HE2 PHE A 49 2.052 2.055 -9.566 1.00 21.11 H new ATOM 0 HZ PHE A 49 4.183 3.119 -8.938 1.00 24.24 H new ATOM 789 N ARG A 50 -1.131 2.127 -4.664 1.00 33.11 N ATOM 790 CA ARG A 50 -2.140 3.128 -5.064 1.00 53.24 C ATOM 791 C ARG A 50 -2.550 3.983 -3.858 1.00 10.01 C ATOM 792 O ARG A 50 -2.792 5.181 -4.004 1.00 41.22 O ATOM 793 CB ARG A 50 -3.369 2.419 -5.685 1.00 55.52 C ATOM 794 CG ARG A 50 -3.025 1.554 -6.916 1.00 54.11 C ATOM 795 CD ARG A 50 -4.188 0.646 -7.354 1.00 64.43 C ATOM 796 NE ARG A 50 -3.756 -0.316 -8.389 1.00 73.15 N ATOM 797 CZ ARG A 50 -4.183 -1.580 -8.498 1.00 61.41 C ATOM 798 NH1 ARG A 50 -5.075 -2.081 -7.646 1.00 74.34 N ATOM 799 NH2 ARG A 50 -3.694 -2.350 -9.455 1.00 3.53 N ATOM 0 H ARG A 50 -1.473 1.167 -4.706 1.00 33.11 H new ATOM 0 HA ARG A 50 -1.708 3.790 -5.815 1.00 53.24 H new ATOM 0 HB2 ARG A 50 -3.836 1.789 -4.928 1.00 55.52 H new ATOM 0 HB3 ARG A 50 -4.105 3.170 -5.973 1.00 55.52 H new ATOM 0 HG2 ARG A 50 -2.747 2.205 -7.745 1.00 54.11 H new ATOM 0 HG3 ARG A 50 -2.155 0.938 -6.689 1.00 54.11 H new ATOM 0 HD2 ARG A 50 -4.575 0.105 -6.491 1.00 64.43 H new ATOM 0 HD3 ARG A 50 -5.004 1.257 -7.740 1.00 64.43 H new ATOM 0 HE ARG A 50 -3.077 0.010 -9.077 1.00 73.15 H new ATOM 0 HH11 ARG A 50 -5.445 -1.499 -6.894 1.00 74.34 H new ATOM 0 HH12 ARG A 50 -5.388 -3.047 -7.745 1.00 74.34 H new ATOM 0 HH21 ARG A 50 -2.998 -1.980 -10.102 1.00 3.53 H new ATOM 0 HH22 ARG A 50 -4.013 -3.315 -9.546 1.00 3.53 H new ATOM 813 N ALA A 51 -2.592 3.336 -2.670 1.00 13.13 N ATOM 814 CA ALA A 51 -2.813 4.017 -1.388 1.00 5.34 C ATOM 815 C ALA A 51 -1.704 5.048 -1.152 1.00 51.25 C ATOM 816 O ALA A 51 -1.987 6.189 -0.803 1.00 32.43 O ATOM 817 CB ALA A 51 -2.866 3.006 -0.226 1.00 11.30 C ATOM 0 H ALA A 51 -2.473 2.327 -2.581 1.00 13.13 H new ATOM 0 HA ALA A 51 -3.775 4.529 -1.428 1.00 5.34 H new ATOM 0 HB1 ALA A 51 -3.031 3.537 0.711 1.00 11.30 H new ATOM 0 HB2 ALA A 51 -3.682 2.303 -0.393 1.00 11.30 H new ATOM 0 HB3 ALA A 51 -1.923 2.462 -0.174 1.00 11.30 H new ATOM 823 N ALA A 52 -0.444 4.622 -1.410 1.00 43.41 N ATOM 824 CA ALA A 52 0.757 5.460 -1.242 1.00 31.14 C ATOM 825 C ALA A 52 0.753 6.660 -2.210 1.00 54.21 C ATOM 826 O ALA A 52 1.209 7.743 -1.847 1.00 63.31 O ATOM 827 CB ALA A 52 2.030 4.612 -1.431 1.00 3.11 C ATOM 0 H ALA A 52 -0.236 3.680 -1.742 1.00 43.41 H new ATOM 0 HA ALA A 52 0.747 5.859 -0.228 1.00 31.14 H new ATOM 0 HB1 ALA A 52 2.910 5.243 -1.304 1.00 3.11 H new ATOM 0 HB2 ALA A 52 2.048 3.812 -0.691 1.00 3.11 H new ATOM 0 HB3 ALA A 52 2.034 4.180 -2.432 1.00 3.11 H new ATOM 833 N ILE A 53 0.225 6.444 -3.442 1.00 12.22 N ATOM 834 CA ILE A 53 0.066 7.508 -4.465 1.00 4.43 C ATOM 835 C ILE A 53 -0.896 8.603 -3.950 1.00 22.43 C ATOM 836 O ILE A 53 -0.628 9.801 -4.112 1.00 74.51 O ATOM 837 CB ILE A 53 -0.462 6.915 -5.839 1.00 42.52 C ATOM 838 CG1 ILE A 53 0.548 5.872 -6.405 1.00 2.13 C ATOM 839 CG2 ILE A 53 -0.743 8.030 -6.882 1.00 53.05 C ATOM 840 CD1 ILE A 53 0.104 5.142 -7.660 1.00 55.34 C ATOM 0 H ILE A 53 -0.102 5.529 -3.753 1.00 12.22 H new ATOM 0 HA ILE A 53 1.046 7.950 -4.646 1.00 4.43 H new ATOM 0 HB ILE A 53 -1.409 6.414 -5.639 1.00 42.52 H new ATOM 0 HG12 ILE A 53 1.488 6.381 -6.616 1.00 2.13 H new ATOM 0 HG13 ILE A 53 0.752 5.133 -5.630 1.00 2.13 H new ATOM 0 HG21 ILE A 53 -1.102 7.580 -7.808 1.00 53.05 H new ATOM 0 HG22 ILE A 53 -1.499 8.711 -6.492 1.00 53.05 H new ATOM 0 HG23 ILE A 53 0.175 8.583 -7.080 1.00 53.05 H new ATOM 0 HD11 ILE A 53 0.880 4.441 -7.967 1.00 55.34 H new ATOM 0 HD12 ILE A 53 -0.817 4.596 -7.457 1.00 55.34 H new ATOM 0 HD13 ILE A 53 -0.070 5.864 -8.458 1.00 55.34 H new ATOM 852 N VAL A 54 -1.996 8.163 -3.304 1.00 73.33 N ATOM 853 CA VAL A 54 -3.005 9.061 -2.721 1.00 45.12 C ATOM 854 C VAL A 54 -2.408 9.829 -1.521 1.00 3.24 C ATOM 855 O VAL A 54 -2.496 11.048 -1.473 1.00 32.44 O ATOM 856 CB VAL A 54 -4.307 8.281 -2.299 1.00 51.22 C ATOM 857 CG1 VAL A 54 -5.350 9.234 -1.668 1.00 34.11 C ATOM 858 CG2 VAL A 54 -4.905 7.531 -3.515 1.00 44.02 C ATOM 0 H VAL A 54 -2.206 7.173 -3.174 1.00 73.33 H new ATOM 0 HA VAL A 54 -3.295 9.780 -3.487 1.00 45.12 H new ATOM 0 HB VAL A 54 -4.033 7.546 -1.542 1.00 51.22 H new ATOM 0 HG11 VAL A 54 -6.238 8.667 -1.387 1.00 34.11 H new ATOM 0 HG12 VAL A 54 -4.924 9.704 -0.782 1.00 34.11 H new ATOM 0 HG13 VAL A 54 -5.624 10.003 -2.390 1.00 34.11 H new ATOM 0 HG21 VAL A 54 -5.804 6.997 -3.207 1.00 44.02 H new ATOM 0 HG22 VAL A 54 -5.158 8.248 -4.296 1.00 44.02 H new ATOM 0 HG23 VAL A 54 -4.174 6.819 -3.899 1.00 44.02 H new ATOM 868 N PHE A 55 -1.746 9.099 -0.597 1.00 2.51 N ATOM 869 CA PHE A 55 -1.093 9.695 0.598 1.00 13.20 C ATOM 870 C PHE A 55 -0.017 10.726 0.203 1.00 33.14 C ATOM 871 O PHE A 55 0.188 11.715 0.902 1.00 42.12 O ATOM 872 CB PHE A 55 -0.451 8.604 1.504 1.00 55.22 C ATOM 873 CG PHE A 55 -1.442 7.716 2.259 1.00 4.14 C ATOM 874 CD1 PHE A 55 -2.415 8.277 3.088 1.00 52.33 C ATOM 875 CD2 PHE A 55 -1.370 6.323 2.180 1.00 13.45 C ATOM 876 CE1 PHE A 55 -3.285 7.471 3.803 1.00 0.25 C ATOM 877 CE2 PHE A 55 -2.243 5.524 2.890 1.00 54.20 C ATOM 878 CZ PHE A 55 -3.195 6.099 3.702 1.00 24.31 C ATOM 0 H PHE A 55 -1.647 8.085 -0.654 1.00 2.51 H new ATOM 0 HA PHE A 55 -1.879 10.202 1.158 1.00 13.20 H new ATOM 0 HB2 PHE A 55 0.183 7.969 0.886 1.00 55.22 H new ATOM 0 HB3 PHE A 55 0.199 9.094 2.229 1.00 55.22 H new ATOM 0 HD1 PHE A 55 -2.490 9.351 3.173 1.00 52.33 H new ATOM 0 HD2 PHE A 55 -0.619 5.864 1.553 1.00 13.45 H new ATOM 0 HE1 PHE A 55 -4.034 7.917 4.440 1.00 0.25 H new ATOM 0 HE2 PHE A 55 -2.180 4.449 2.809 1.00 54.20 H new ATOM 0 HZ PHE A 55 -3.874 5.473 4.262 1.00 24.31 H new ATOM 888 N TYR A 56 0.647 10.484 -0.940 1.00 12.05 N ATOM 889 CA TYR A 56 1.729 11.340 -1.442 1.00 31.41 C ATOM 890 C TYR A 56 1.177 12.680 -1.988 1.00 22.44 C ATOM 891 O TYR A 56 1.651 13.758 -1.603 1.00 70.41 O ATOM 892 CB TYR A 56 2.540 10.597 -2.538 1.00 52.12 C ATOM 893 CG TYR A 56 3.687 11.433 -3.110 1.00 64.31 C ATOM 894 CD1 TYR A 56 4.770 11.784 -2.309 1.00 41.20 C ATOM 895 CD2 TYR A 56 3.669 11.905 -4.425 1.00 61.31 C ATOM 896 CE1 TYR A 56 5.798 12.559 -2.791 1.00 11.45 C ATOM 897 CE2 TYR A 56 4.692 12.686 -4.911 1.00 13.31 C ATOM 898 CZ TYR A 56 5.757 13.012 -4.090 1.00 75.44 C ATOM 899 OH TYR A 56 6.778 13.809 -4.568 1.00 45.24 O ATOM 0 H TYR A 56 0.446 9.686 -1.542 1.00 12.05 H new ATOM 0 HA TYR A 56 2.393 11.568 -0.609 1.00 31.41 H new ATOM 0 HB2 TYR A 56 2.944 9.675 -2.120 1.00 52.12 H new ATOM 0 HB3 TYR A 56 1.868 10.312 -3.347 1.00 52.12 H new ATOM 0 HD1 TYR A 56 4.803 11.440 -1.286 1.00 41.20 H new ATOM 0 HD2 TYR A 56 2.840 11.653 -5.069 1.00 61.31 H new ATOM 0 HE1 TYR A 56 6.633 12.811 -2.154 1.00 11.45 H new ATOM 0 HE2 TYR A 56 4.664 13.043 -5.930 1.00 13.31 H new ATOM 0 HH TYR A 56 6.600 14.043 -5.503 1.00 45.24 H new ATOM 909 N LYS A 57 0.187 12.589 -2.904 1.00 23.45 N ATOM 910 CA LYS A 57 -0.447 13.774 -3.536 1.00 33.11 C ATOM 911 C LYS A 57 -1.235 14.636 -2.514 1.00 52.13 C ATOM 912 O LYS A 57 -1.362 15.853 -2.700 1.00 70.21 O ATOM 913 CB LYS A 57 -1.366 13.346 -4.717 1.00 71.24 C ATOM 914 CG LYS A 57 -2.593 12.496 -4.313 1.00 53.23 C ATOM 915 CD LYS A 57 -3.484 12.085 -5.510 1.00 31.21 C ATOM 916 CE LYS A 57 -2.781 11.149 -6.502 1.00 75.32 C ATOM 917 NZ LYS A 57 -3.653 10.811 -7.662 1.00 20.22 N ATOM 0 H LYS A 57 -0.195 11.700 -3.226 1.00 23.45 H new ATOM 0 HA LYS A 57 0.359 14.395 -3.927 1.00 33.11 H new ATOM 0 HB2 LYS A 57 -1.716 14.242 -5.229 1.00 71.24 H new ATOM 0 HB3 LYS A 57 -0.771 12.781 -5.435 1.00 71.24 H new ATOM 0 HG2 LYS A 57 -2.249 11.597 -3.801 1.00 53.23 H new ATOM 0 HG3 LYS A 57 -3.195 13.058 -3.599 1.00 53.23 H new ATOM 0 HD2 LYS A 57 -4.382 11.595 -5.133 1.00 31.21 H new ATOM 0 HD3 LYS A 57 -3.808 12.983 -6.037 1.00 31.21 H new ATOM 0 HE2 LYS A 57 -1.867 11.621 -6.861 1.00 75.32 H new ATOM 0 HE3 LYS A 57 -2.487 10.233 -5.990 1.00 75.32 H new ATOM 0 HZ1 LYS A 57 -3.141 10.177 -8.308 1.00 20.22 H new ATOM 0 HZ2 LYS A 57 -4.514 10.337 -7.322 1.00 20.22 H new ATOM 0 HZ3 LYS A 57 -3.913 11.683 -8.166 1.00 20.22 H new ATOM 931 N GLU A 58 -1.763 13.995 -1.452 1.00 53.33 N ATOM 932 CA GLU A 58 -2.440 14.704 -0.338 1.00 72.24 C ATOM 933 C GLU A 58 -1.420 15.183 0.706 1.00 44.33 C ATOM 934 O GLU A 58 -1.764 15.957 1.610 1.00 51.32 O ATOM 935 CB GLU A 58 -3.501 13.788 0.338 1.00 33.24 C ATOM 936 CG GLU A 58 -4.549 13.190 -0.623 1.00 34.15 C ATOM 937 CD GLU A 58 -5.284 14.232 -1.489 1.00 54.22 C ATOM 938 OE1 GLU A 58 -6.305 14.791 -1.037 1.00 31.52 O ATOM 939 OE2 GLU A 58 -4.857 14.490 -2.634 1.00 42.44 O ATOM 0 H GLU A 58 -1.735 12.982 -1.339 1.00 53.33 H new ATOM 0 HA GLU A 58 -2.946 15.574 -0.757 1.00 72.24 H new ATOM 0 HB2 GLU A 58 -2.986 12.972 0.844 1.00 33.24 H new ATOM 0 HB3 GLU A 58 -4.019 14.362 1.106 1.00 33.24 H new ATOM 0 HG2 GLU A 58 -4.056 12.473 -1.279 1.00 34.15 H new ATOM 0 HG3 GLU A 58 -5.284 12.635 -0.040 1.00 34.15 H new ATOM 946 N HIS A 59 -0.164 14.692 0.569 1.00 53.25 N ATOM 947 CA HIS A 59 0.985 15.062 1.414 1.00 14.44 C ATOM 948 C HIS A 59 0.810 14.602 2.875 1.00 34.41 C ATOM 949 O HIS A 59 1.349 15.207 3.810 1.00 33.41 O ATOM 950 CB HIS A 59 1.335 16.581 1.278 1.00 54.13 C ATOM 951 CG HIS A 59 1.854 16.944 -0.090 1.00 1.10 C ATOM 952 ND1 HIS A 59 3.182 16.852 -0.431 1.00 41.24 N ATOM 953 CD2 HIS A 59 1.225 17.381 -1.202 1.00 64.22 C ATOM 954 CE1 HIS A 59 3.347 17.216 -1.681 1.00 3.13 C ATOM 955 NE2 HIS A 59 2.172 17.545 -2.174 1.00 33.14 N ATOM 0 H HIS A 59 0.078 14.012 -0.151 1.00 53.25 H new ATOM 0 HA HIS A 59 1.852 14.516 1.042 1.00 14.44 H new ATOM 0 HB2 HIS A 59 0.446 17.174 1.493 1.00 54.13 H new ATOM 0 HB3 HIS A 59 2.082 16.845 2.026 1.00 54.13 H new ATOM 0 HD1 HIS A 59 3.928 16.546 0.194 1.00 41.24 H new ATOM 0 HD2 HIS A 59 0.166 17.567 -1.305 1.00 64.22 H new ATOM 0 HE1 HIS A 59 4.286 17.241 -2.214 1.00 3.13 H new ATOM 964 N ASP A 60 0.077 13.491 3.033 1.00 73.25 N ATOM 965 CA ASP A 60 -0.037 12.752 4.291 1.00 41.44 C ATOM 966 C ASP A 60 1.167 11.790 4.376 1.00 73.21 C ATOM 967 O ASP A 60 1.105 10.633 3.924 1.00 53.43 O ATOM 968 CB ASP A 60 -1.398 11.997 4.339 1.00 52.13 C ATOM 969 CG ASP A 60 -1.684 11.363 5.712 1.00 42.24 C ATOM 970 OD1 ASP A 60 -2.254 12.052 6.588 1.00 41.05 O ATOM 971 OD2 ASP A 60 -1.327 10.193 5.933 1.00 40.52 O ATOM 0 H ASP A 60 -0.462 13.076 2.273 1.00 73.25 H new ATOM 0 HA ASP A 60 -0.019 13.422 5.151 1.00 41.44 H new ATOM 0 HB2 ASP A 60 -2.201 12.691 4.090 1.00 52.13 H new ATOM 0 HB3 ASP A 60 -1.402 11.218 3.577 1.00 52.13 H new ATOM 976 N THR A 61 2.288 12.327 4.891 1.00 42.13 N ATOM 977 CA THR A 61 3.583 11.639 4.953 1.00 75.11 C ATOM 978 C THR A 61 3.518 10.362 5.810 1.00 53.34 C ATOM 979 O THR A 61 4.056 9.333 5.416 1.00 31.14 O ATOM 980 CB THR A 61 4.692 12.582 5.528 1.00 42.13 C ATOM 981 OG1 THR A 61 4.728 13.805 4.773 1.00 52.43 O ATOM 982 CG2 THR A 61 6.089 11.922 5.515 1.00 63.43 C ATOM 0 H THR A 61 2.316 13.269 5.282 1.00 42.13 H new ATOM 0 HA THR A 61 3.834 11.359 3.930 1.00 75.11 H new ATOM 0 HB THR A 61 4.437 12.789 6.568 1.00 42.13 H new ATOM 0 HG1 THR A 61 5.422 14.394 5.137 1.00 52.43 H new ATOM 0 HG21 THR A 61 6.823 12.616 5.924 1.00 63.43 H new ATOM 0 HG22 THR A 61 6.069 11.016 6.121 1.00 63.43 H new ATOM 0 HG23 THR A 61 6.361 11.667 4.491 1.00 63.43 H new ATOM 990 N ASP A 62 2.847 10.457 6.979 1.00 33.34 N ATOM 991 CA ASP A 62 2.781 9.347 7.962 1.00 23.23 C ATOM 992 C ASP A 62 2.045 8.129 7.374 1.00 51.41 C ATOM 993 O ASP A 62 2.450 6.984 7.600 1.00 62.50 O ATOM 994 CB ASP A 62 2.109 9.800 9.297 1.00 44.12 C ATOM 995 CG ASP A 62 2.884 10.920 10.013 1.00 71.33 C ATOM 996 OD1 ASP A 62 3.899 10.623 10.678 1.00 21.32 O ATOM 997 OD2 ASP A 62 2.494 12.104 9.916 1.00 4.14 O ATOM 0 H ASP A 62 2.341 11.294 7.268 1.00 33.34 H new ATOM 0 HA ASP A 62 3.806 9.054 8.187 1.00 23.23 H new ATOM 0 HB2 ASP A 62 1.096 10.143 9.089 1.00 44.12 H new ATOM 0 HB3 ASP A 62 2.024 8.942 9.964 1.00 44.12 H new ATOM 1002 N GLY A 63 0.972 8.399 6.617 1.00 12.11 N ATOM 1003 CA GLY A 63 0.228 7.351 5.918 1.00 3.24 C ATOM 1004 C GLY A 63 1.036 6.731 4.800 1.00 0.10 C ATOM 1005 O GLY A 63 0.949 5.523 4.568 1.00 51.32 O ATOM 0 H GLY A 63 0.602 9.339 6.475 1.00 12.11 H new ATOM 0 HA2 GLY A 63 -0.061 6.577 6.628 1.00 3.24 H new ATOM 0 HA3 GLY A 63 -0.692 7.770 5.511 1.00 3.24 H new ATOM 1009 N LEU A 64 1.824 7.578 4.104 1.00 31.20 N ATOM 1010 CA LEU A 64 2.760 7.148 3.049 1.00 54.31 C ATOM 1011 C LEU A 64 3.854 6.236 3.643 1.00 41.33 C ATOM 1012 O LEU A 64 4.293 5.305 2.980 1.00 13.15 O ATOM 1013 CB LEU A 64 3.400 8.385 2.357 1.00 4.25 C ATOM 1014 CG LEU A 64 4.491 8.099 1.265 1.00 51.31 C ATOM 1015 CD1 LEU A 64 3.899 7.469 -0.005 1.00 54.23 C ATOM 1016 CD2 LEU A 64 5.273 9.369 0.925 1.00 74.35 C ATOM 0 H LEU A 64 1.827 8.586 4.261 1.00 31.20 H new ATOM 0 HA LEU A 64 2.206 6.582 2.301 1.00 54.31 H new ATOM 0 HB2 LEU A 64 2.602 8.967 1.896 1.00 4.25 H new ATOM 0 HB3 LEU A 64 3.847 9.012 3.128 1.00 4.25 H new ATOM 0 HG LEU A 64 5.180 7.370 1.693 1.00 51.31 H new ATOM 0 HD11 LEU A 64 4.695 7.291 -0.728 1.00 54.23 H new ATOM 0 HD12 LEU A 64 3.420 6.523 0.247 1.00 54.23 H new ATOM 0 HD13 LEU A 64 3.161 8.145 -0.437 1.00 54.23 H new ATOM 0 HD21 LEU A 64 6.022 9.143 0.166 1.00 74.35 H new ATOM 0 HD22 LEU A 64 4.588 10.127 0.544 1.00 74.35 H new ATOM 0 HD23 LEU A 64 5.767 9.743 1.822 1.00 74.35 H new ATOM 1028 N ARG A 65 4.277 6.527 4.904 1.00 52.35 N ATOM 1029 CA ARG A 65 5.265 5.709 5.643 1.00 11.20 C ATOM 1030 C ARG A 65 4.697 4.309 5.904 1.00 54.54 C ATOM 1031 O ARG A 65 5.367 3.307 5.656 1.00 3.03 O ATOM 1032 CB ARG A 65 5.653 6.364 7.008 1.00 11.05 C ATOM 1033 CG ARG A 65 6.383 7.712 6.891 1.00 50.45 C ATOM 1034 CD ARG A 65 6.719 8.349 8.240 1.00 61.11 C ATOM 1035 NE ARG A 65 7.625 7.518 9.044 1.00 15.24 N ATOM 1036 CZ ARG A 65 8.304 7.939 10.121 1.00 40.41 C ATOM 1037 NH1 ARG A 65 8.210 9.193 10.550 1.00 51.25 N ATOM 1038 NH2 ARG A 65 9.071 7.096 10.778 1.00 45.45 N ATOM 0 H ARG A 65 3.941 7.333 5.430 1.00 52.35 H new ATOM 0 HA ARG A 65 6.161 5.643 5.025 1.00 11.20 H new ATOM 0 HB2 ARG A 65 4.747 6.507 7.597 1.00 11.05 H new ATOM 0 HB3 ARG A 65 6.286 5.670 7.561 1.00 11.05 H new ATOM 0 HG2 ARG A 65 7.305 7.568 6.328 1.00 50.45 H new ATOM 0 HG3 ARG A 65 5.764 8.402 6.318 1.00 50.45 H new ATOM 0 HD2 ARG A 65 7.177 9.324 8.074 1.00 61.11 H new ATOM 0 HD3 ARG A 65 5.798 8.520 8.797 1.00 61.11 H new ATOM 0 HE ARG A 65 7.747 6.546 8.761 1.00 15.24 H new ATOM 0 HH11 ARG A 65 7.612 9.857 10.058 1.00 51.25 H new ATOM 0 HH12 ARG A 65 8.736 9.492 11.372 1.00 51.25 H new ATOM 0 HH21 ARG A 65 9.147 6.127 10.468 1.00 45.45 H new ATOM 0 HH22 ARG A 65 9.590 7.411 11.598 1.00 45.45 H new ATOM 1052 N ARG A 66 3.442 4.283 6.379 1.00 2.33 N ATOM 1053 CA ARG A 66 2.748 3.048 6.783 1.00 2.33 C ATOM 1054 C ARG A 66 2.411 2.193 5.541 1.00 63.52 C ATOM 1055 O ARG A 66 2.462 0.958 5.587 1.00 32.51 O ATOM 1056 CB ARG A 66 1.464 3.411 7.605 1.00 35.45 C ATOM 1057 CG ARG A 66 1.110 2.384 8.701 1.00 14.21 C ATOM 1058 CD ARG A 66 -0.189 2.724 9.458 1.00 22.34 C ATOM 1059 NE ARG A 66 -0.338 1.960 10.714 1.00 24.11 N ATOM 1060 CZ ARG A 66 -0.638 0.657 10.819 1.00 34.35 C ATOM 1061 NH1 ARG A 66 -0.838 -0.104 9.757 1.00 72.31 N ATOM 1062 NH2 ARG A 66 -0.749 0.118 12.017 1.00 73.23 N ATOM 0 H ARG A 66 2.876 5.123 6.495 1.00 2.33 H new ATOM 0 HA ARG A 66 3.401 2.452 7.421 1.00 2.33 H new ATOM 0 HB2 ARG A 66 1.606 4.387 8.068 1.00 35.45 H new ATOM 0 HB3 ARG A 66 0.621 3.502 6.921 1.00 35.45 H new ATOM 0 HG2 ARG A 66 1.010 1.398 8.247 1.00 14.21 H new ATOM 0 HG3 ARG A 66 1.933 2.325 9.413 1.00 14.21 H new ATOM 0 HD2 ARG A 66 -0.204 3.790 9.683 1.00 22.34 H new ATOM 0 HD3 ARG A 66 -1.044 2.522 8.812 1.00 22.34 H new ATOM 0 HE ARG A 66 -0.199 2.473 11.585 1.00 24.11 H new ATOM 0 HH11 ARG A 66 -0.766 0.296 8.822 1.00 72.31 H new ATOM 0 HH12 ARG A 66 -1.065 -1.092 9.873 1.00 72.31 H new ATOM 0 HH21 ARG A 66 -0.607 0.691 12.849 1.00 73.23 H new ATOM 0 HH22 ARG A 66 -0.977 -0.872 12.112 1.00 73.23 H new ATOM 1076 N ALA A 67 2.102 2.886 4.423 1.00 33.01 N ATOM 1077 CA ALA A 67 1.767 2.259 3.139 1.00 25.50 C ATOM 1078 C ALA A 67 3.025 1.706 2.464 1.00 54.22 C ATOM 1079 O ALA A 67 2.974 0.639 1.863 1.00 21.20 O ATOM 1080 CB ALA A 67 1.049 3.254 2.212 1.00 25.21 C ATOM 0 H ALA A 67 2.080 3.905 4.393 1.00 33.01 H new ATOM 0 HA ALA A 67 1.088 1.429 3.336 1.00 25.50 H new ATOM 0 HB1 ALA A 67 0.812 2.765 1.267 1.00 25.21 H new ATOM 0 HB2 ALA A 67 0.128 3.594 2.686 1.00 25.21 H new ATOM 0 HB3 ALA A 67 1.698 4.110 2.025 1.00 25.21 H new ATOM 1086 N ALA A 68 4.152 2.448 2.595 1.00 24.24 N ATOM 1087 CA ALA A 68 5.456 2.056 2.026 1.00 63.21 C ATOM 1088 C ALA A 68 6.026 0.829 2.751 1.00 4.31 C ATOM 1089 O ALA A 68 6.541 -0.088 2.106 1.00 14.50 O ATOM 1090 CB ALA A 68 6.456 3.228 2.105 1.00 73.53 C ATOM 0 H ALA A 68 4.178 3.334 3.099 1.00 24.24 H new ATOM 0 HA ALA A 68 5.299 1.796 0.979 1.00 63.21 H new ATOM 0 HB1 ALA A 68 7.412 2.920 1.681 1.00 73.53 H new ATOM 0 HB2 ALA A 68 6.066 4.077 1.543 1.00 73.53 H new ATOM 0 HB3 ALA A 68 6.597 3.516 3.147 1.00 73.53 H new ATOM 1096 N LYS A 69 5.924 0.843 4.095 1.00 50.43 N ATOM 1097 CA LYS A 69 6.380 -0.263 4.950 1.00 2.35 C ATOM 1098 C LYS A 69 5.634 -1.553 4.620 1.00 33.40 C ATOM 1099 O LYS A 69 6.265 -2.570 4.324 1.00 12.23 O ATOM 1100 CB LYS A 69 6.192 0.094 6.456 1.00 72.35 C ATOM 1101 CG LYS A 69 7.280 1.027 7.025 1.00 52.04 C ATOM 1102 CD LYS A 69 8.667 0.337 7.061 1.00 33.33 C ATOM 1103 CE LYS A 69 9.771 1.233 7.641 1.00 70.32 C ATOM 1104 NZ LYS A 69 11.052 0.488 7.777 1.00 43.35 N ATOM 0 H LYS A 69 5.523 1.623 4.615 1.00 50.43 H new ATOM 0 HA LYS A 69 7.441 -0.420 4.756 1.00 2.35 H new ATOM 0 HB2 LYS A 69 5.219 0.567 6.587 1.00 72.35 H new ATOM 0 HB3 LYS A 69 6.179 -0.828 7.038 1.00 72.35 H new ATOM 0 HG2 LYS A 69 7.339 1.930 6.417 1.00 52.04 H new ATOM 0 HG3 LYS A 69 7.002 1.338 8.032 1.00 52.04 H new ATOM 0 HD2 LYS A 69 8.597 -0.574 7.655 1.00 33.33 H new ATOM 0 HD3 LYS A 69 8.944 0.038 6.050 1.00 33.33 H new ATOM 0 HE2 LYS A 69 9.917 2.099 6.995 1.00 70.32 H new ATOM 0 HE3 LYS A 69 9.462 1.611 8.615 1.00 70.32 H new ATOM 0 HZ1 LYS A 69 11.780 1.118 8.171 1.00 43.35 H new ATOM 0 HZ2 LYS A 69 10.916 -0.324 8.413 1.00 43.35 H new ATOM 0 HZ3 LYS A 69 11.357 0.149 6.842 1.00 43.35 H new ATOM 1118 N SER A 70 4.292 -1.470 4.622 1.00 63.33 N ATOM 1119 CA SER A 70 3.418 -2.625 4.402 1.00 13.31 C ATOM 1120 C SER A 70 3.494 -3.104 2.946 1.00 1.21 C ATOM 1121 O SER A 70 3.246 -4.285 2.682 1.00 5.44 O ATOM 1122 CB SER A 70 1.970 -2.299 4.823 1.00 74.42 C ATOM 1123 OG SER A 70 1.179 -3.474 4.917 1.00 33.52 O ATOM 0 H SER A 70 3.787 -0.597 4.777 1.00 63.33 H new ATOM 0 HA SER A 70 3.767 -3.445 5.029 1.00 13.31 H new ATOM 0 HB2 SER A 70 1.976 -1.785 5.784 1.00 74.42 H new ATOM 0 HB3 SER A 70 1.525 -1.616 4.100 1.00 74.42 H new ATOM 0 HG SER A 70 0.614 -3.552 4.120 1.00 33.52 H new ATOM 1129 N LEU A 71 3.812 -2.174 2.004 1.00 25.03 N ATOM 1130 CA LEU A 71 4.076 -2.507 0.587 1.00 22.25 C ATOM 1131 C LEU A 71 5.254 -3.493 0.522 1.00 60.22 C ATOM 1132 O LEU A 71 5.137 -4.567 -0.060 1.00 11.02 O ATOM 1133 CB LEU A 71 4.386 -1.215 -0.249 1.00 71.51 C ATOM 1134 CG LEU A 71 3.878 -1.170 -1.733 1.00 64.34 C ATOM 1135 CD1 LEU A 71 4.165 0.199 -2.363 1.00 3.33 C ATOM 1136 CD2 LEU A 71 4.451 -2.303 -2.609 1.00 23.22 C ATOM 0 H LEU A 71 3.891 -1.178 2.210 1.00 25.03 H new ATOM 0 HA LEU A 71 3.188 -2.967 0.154 1.00 22.25 H new ATOM 0 HB2 LEU A 71 3.958 -0.363 0.279 1.00 71.51 H new ATOM 0 HB3 LEU A 71 5.467 -1.073 -0.259 1.00 71.51 H new ATOM 0 HG LEU A 71 2.800 -1.328 -1.693 1.00 64.34 H new ATOM 0 HD11 LEU A 71 3.805 0.209 -3.392 1.00 3.33 H new ATOM 0 HD12 LEU A 71 3.656 0.976 -1.793 1.00 3.33 H new ATOM 0 HD13 LEU A 71 5.239 0.386 -2.353 1.00 3.33 H new ATOM 0 HD21 LEU A 71 4.059 -2.213 -3.622 1.00 23.22 H new ATOM 0 HD22 LEU A 71 5.538 -2.230 -2.632 1.00 23.22 H new ATOM 0 HD23 LEU A 71 4.161 -3.267 -2.192 1.00 23.22 H new ATOM 1148 N LYS A 72 6.363 -3.118 1.195 1.00 62.10 N ATOM 1149 CA LYS A 72 7.617 -3.900 1.212 1.00 11.33 C ATOM 1150 C LYS A 72 7.465 -5.218 2.004 1.00 71.52 C ATOM 1151 O LYS A 72 8.102 -6.229 1.671 1.00 70.44 O ATOM 1152 CB LYS A 72 8.760 -3.038 1.788 1.00 43.20 C ATOM 1153 CG LYS A 72 9.097 -1.805 0.927 1.00 20.13 C ATOM 1154 CD LYS A 72 10.288 -0.994 1.483 1.00 44.24 C ATOM 1155 CE LYS A 72 11.605 -1.797 1.500 1.00 33.32 C ATOM 1156 NZ LYS A 72 12.715 -1.028 2.126 1.00 64.04 N ATOM 0 H LYS A 72 6.413 -2.260 1.744 1.00 62.10 H new ATOM 0 HA LYS A 72 7.859 -4.176 0.186 1.00 11.33 H new ATOM 0 HB2 LYS A 72 8.485 -2.707 2.790 1.00 43.20 H new ATOM 0 HB3 LYS A 72 9.653 -3.655 1.890 1.00 43.20 H new ATOM 0 HG2 LYS A 72 9.326 -2.128 -0.088 1.00 20.13 H new ATOM 0 HG3 LYS A 72 8.221 -1.160 0.866 1.00 20.13 H new ATOM 0 HD2 LYS A 72 10.423 -0.097 0.879 1.00 44.24 H new ATOM 0 HD3 LYS A 72 10.056 -0.665 2.496 1.00 44.24 H new ATOM 0 HE2 LYS A 72 11.455 -2.728 2.046 1.00 33.32 H new ATOM 0 HE3 LYS A 72 11.880 -2.066 0.480 1.00 33.32 H new ATOM 0 HZ1 LYS A 72 13.493 -1.675 2.366 1.00 64.04 H new ATOM 0 HZ2 LYS A 72 13.057 -0.307 1.459 1.00 64.04 H new ATOM 0 HZ3 LYS A 72 12.371 -0.564 2.991 1.00 64.04 H new ATOM 1170 N GLU A 73 6.610 -5.181 3.053 1.00 22.33 N ATOM 1171 CA GLU A 73 6.247 -6.372 3.849 1.00 43.44 C ATOM 1172 C GLU A 73 5.412 -7.329 2.995 1.00 10.32 C ATOM 1173 O GLU A 73 5.524 -8.559 3.127 1.00 71.34 O ATOM 1174 CB GLU A 73 5.486 -5.959 5.144 1.00 21.34 C ATOM 1175 CG GLU A 73 6.360 -5.187 6.152 1.00 61.34 C ATOM 1176 CD GLU A 73 5.571 -4.687 7.372 1.00 54.51 C ATOM 1177 OE1 GLU A 73 5.418 -5.451 8.351 1.00 40.25 O ATOM 1178 OE2 GLU A 73 5.091 -3.534 7.356 1.00 33.22 O ATOM 0 H GLU A 73 6.154 -4.325 3.369 1.00 22.33 H new ATOM 0 HA GLU A 73 7.158 -6.887 4.155 1.00 43.44 H new ATOM 0 HB2 GLU A 73 4.629 -5.343 4.871 1.00 21.34 H new ATOM 0 HB3 GLU A 73 5.094 -6.854 5.626 1.00 21.34 H new ATOM 0 HG2 GLU A 73 7.171 -5.832 6.490 1.00 61.34 H new ATOM 0 HG3 GLU A 73 6.819 -4.336 5.649 1.00 61.34 H new ATOM 1185 N ALA A 74 4.599 -6.748 2.089 1.00 64.24 N ATOM 1186 CA ALA A 74 3.825 -7.510 1.116 1.00 72.45 C ATOM 1187 C ALA A 74 4.762 -8.148 0.084 1.00 22.11 C ATOM 1188 O ALA A 74 4.562 -9.298 -0.252 1.00 62.31 O ATOM 1189 CB ALA A 74 2.751 -6.647 0.427 1.00 60.45 C ATOM 0 H ALA A 74 4.468 -5.739 2.020 1.00 64.24 H new ATOM 0 HA ALA A 74 3.298 -8.299 1.653 1.00 72.45 H new ATOM 0 HB1 ALA A 74 2.199 -7.256 -0.289 1.00 60.45 H new ATOM 0 HB2 ALA A 74 2.063 -6.255 1.176 1.00 60.45 H new ATOM 0 HB3 ALA A 74 3.230 -5.818 -0.094 1.00 60.45 H new ATOM 1195 N ILE A 75 5.821 -7.409 -0.351 1.00 61.54 N ATOM 1196 CA ILE A 75 6.776 -7.879 -1.391 1.00 43.24 C ATOM 1197 C ILE A 75 7.500 -9.160 -0.952 1.00 73.44 C ATOM 1198 O ILE A 75 7.598 -10.139 -1.710 1.00 22.12 O ATOM 1199 CB ILE A 75 7.854 -6.799 -1.770 1.00 72.54 C ATOM 1200 CG1 ILE A 75 7.198 -5.452 -2.199 1.00 74.32 C ATOM 1201 CG2 ILE A 75 8.799 -7.320 -2.879 1.00 15.04 C ATOM 1202 CD1 ILE A 75 6.138 -5.562 -3.269 1.00 53.41 C ATOM 0 H ILE A 75 6.034 -6.478 0.007 1.00 61.54 H new ATOM 0 HA ILE A 75 6.166 -8.079 -2.272 1.00 43.24 H new ATOM 0 HB ILE A 75 8.445 -6.609 -0.874 1.00 72.54 H new ATOM 0 HG12 ILE A 75 6.755 -4.986 -1.319 1.00 74.32 H new ATOM 0 HG13 ILE A 75 7.981 -4.782 -2.554 1.00 74.32 H new ATOM 0 HG21 ILE A 75 9.534 -6.552 -3.121 1.00 15.04 H new ATOM 0 HG22 ILE A 75 9.312 -8.216 -2.529 1.00 15.04 H new ATOM 0 HG23 ILE A 75 8.218 -7.559 -3.770 1.00 15.04 H new ATOM 0 HD11 ILE A 75 5.745 -4.571 -3.495 1.00 53.41 H new ATOM 0 HD12 ILE A 75 6.574 -5.994 -4.170 1.00 53.41 H new ATOM 0 HD13 ILE A 75 5.329 -6.201 -2.915 1.00 53.41 H new ATOM 1214 N THR A 76 7.991 -9.126 0.289 1.00 63.41 N ATOM 1215 CA THR A 76 8.675 -10.264 0.910 1.00 5.21 C ATOM 1216 C THR A 76 7.694 -11.441 1.165 1.00 44.23 C ATOM 1217 O THR A 76 8.120 -12.586 1.357 1.00 22.24 O ATOM 1218 CB THR A 76 9.356 -9.812 2.242 1.00 22.34 C ATOM 1219 OG1 THR A 76 8.394 -9.144 3.077 1.00 44.12 O ATOM 1220 CG2 THR A 76 10.546 -8.863 1.991 1.00 61.11 C ATOM 0 H THR A 76 7.926 -8.307 0.893 1.00 63.41 H new ATOM 0 HA THR A 76 9.443 -10.621 0.223 1.00 5.21 H new ATOM 0 HB THR A 76 9.734 -10.708 2.735 1.00 22.34 H new ATOM 0 HG1 THR A 76 7.492 -9.301 2.727 1.00 44.12 H new ATOM 0 HG21 THR A 76 10.989 -8.575 2.944 1.00 61.11 H new ATOM 0 HG22 THR A 76 11.294 -9.371 1.382 1.00 61.11 H new ATOM 0 HG23 THR A 76 10.197 -7.972 1.469 1.00 61.11 H new ATOM 1228 N ALA A 77 6.386 -11.135 1.160 1.00 24.22 N ATOM 1229 CA ALA A 77 5.308 -12.124 1.326 1.00 21.14 C ATOM 1230 C ALA A 77 4.689 -12.542 -0.031 1.00 65.01 C ATOM 1231 O ALA A 77 3.891 -13.487 -0.068 1.00 1.03 O ATOM 1232 CB ALA A 77 4.238 -11.533 2.260 1.00 14.00 C ATOM 0 H ALA A 77 6.043 -10.182 1.039 1.00 24.22 H new ATOM 0 HA ALA A 77 5.726 -13.030 1.766 1.00 21.14 H new ATOM 0 HB1 ALA A 77 3.432 -12.255 2.393 1.00 14.00 H new ATOM 0 HB2 ALA A 77 4.685 -11.306 3.228 1.00 14.00 H new ATOM 0 HB3 ALA A 77 3.838 -10.619 1.822 1.00 14.00 H new ATOM 1238 N ILE A 78 5.037 -11.832 -1.138 1.00 4.50 N ATOM 1239 CA ILE A 78 4.552 -12.186 -2.496 1.00 34.34 C ATOM 1240 C ILE A 78 5.193 -13.512 -2.936 1.00 33.23 C ATOM 1241 O ILE A 78 6.416 -13.653 -2.810 1.00 0.02 O ATOM 1242 CB ILE A 78 4.875 -11.097 -3.606 1.00 32.14 C ATOM 1243 CG1 ILE A 78 4.250 -9.729 -3.261 1.00 41.24 C ATOM 1244 CG2 ILE A 78 4.402 -11.552 -5.018 1.00 45.43 C ATOM 1245 CD1 ILE A 78 4.527 -8.631 -4.263 1.00 0.13 C ATOM 0 H ILE A 78 5.648 -11.016 -1.115 1.00 4.50 H new ATOM 0 HA ILE A 78 3.467 -12.256 -2.415 1.00 34.34 H new ATOM 0 HB ILE A 78 5.959 -10.988 -3.625 1.00 32.14 H new ATOM 0 HG12 ILE A 78 3.171 -9.852 -3.168 1.00 41.24 H new ATOM 0 HG13 ILE A 78 4.620 -9.413 -2.286 1.00 41.24 H new ATOM 0 HG21 ILE A 78 4.641 -10.779 -5.748 1.00 45.43 H new ATOM 0 HG22 ILE A 78 4.908 -12.478 -5.290 1.00 45.43 H new ATOM 0 HG23 ILE A 78 3.325 -11.718 -5.005 1.00 45.43 H new ATOM 0 HD11 ILE A 78 4.047 -7.709 -3.934 1.00 0.13 H new ATOM 0 HD12 ILE A 78 5.603 -8.473 -4.341 1.00 0.13 H new ATOM 0 HD13 ILE A 78 4.131 -8.919 -5.237 1.00 0.13 H new ATOM 1369 N GLU A 86 8.092 -6.895 -10.642 1.00 24.03 N ATOM 1370 CA GLU A 86 7.510 -5.572 -10.957 1.00 23.23 C ATOM 1371 C GLU A 86 6.900 -4.919 -9.715 1.00 2.31 C ATOM 1372 O GLU A 86 6.905 -3.691 -9.575 1.00 13.23 O ATOM 1373 CB GLU A 86 6.480 -5.692 -12.115 1.00 44.33 C ATOM 1374 CG GLU A 86 5.256 -6.631 -11.868 1.00 23.22 C ATOM 1375 CD GLU A 86 4.015 -5.922 -11.285 1.00 72.52 C ATOM 1376 OE1 GLU A 86 3.348 -5.185 -12.035 1.00 34.51 O ATOM 1377 OE2 GLU A 86 3.688 -6.116 -10.097 1.00 42.43 O ATOM 0 HA GLU A 86 8.313 -4.917 -11.293 1.00 23.23 H new ATOM 0 HB2 GLU A 86 6.104 -4.694 -12.341 1.00 44.33 H new ATOM 0 HB3 GLU A 86 7.005 -6.043 -13.003 1.00 44.33 H new ATOM 0 HG2 GLU A 86 4.980 -7.103 -12.811 1.00 23.22 H new ATOM 0 HG3 GLU A 86 5.557 -7.428 -11.188 1.00 23.22 H new ATOM 1384 N ALA A 87 6.390 -5.763 -8.811 1.00 22.53 N ATOM 1385 CA ALA A 87 5.804 -5.317 -7.550 1.00 71.34 C ATOM 1386 C ALA A 87 6.877 -4.758 -6.613 1.00 4.20 C ATOM 1387 O ALA A 87 6.618 -3.809 -5.863 1.00 33.14 O ATOM 1388 CB ALA A 87 5.023 -6.455 -6.895 1.00 54.40 C ATOM 0 H ALA A 87 6.374 -6.775 -8.937 1.00 22.53 H new ATOM 0 HA ALA A 87 5.105 -4.507 -7.760 1.00 71.34 H new ATOM 0 HB1 ALA A 87 4.592 -6.107 -5.956 1.00 54.40 H new ATOM 0 HB2 ALA A 87 4.225 -6.780 -7.562 1.00 54.40 H new ATOM 0 HB3 ALA A 87 5.694 -7.291 -6.699 1.00 54.40 H new ATOM 1394 N LYS A 88 8.085 -5.351 -6.681 1.00 60.22 N ATOM 1395 CA LYS A 88 9.261 -4.905 -5.912 1.00 15.13 C ATOM 1396 C LYS A 88 9.640 -3.467 -6.360 1.00 42.24 C ATOM 1397 O LYS A 88 10.023 -2.621 -5.543 1.00 22.24 O ATOM 1398 CB LYS A 88 10.451 -5.909 -6.136 1.00 72.15 C ATOM 1399 CG LYS A 88 11.477 -6.036 -4.976 1.00 3.44 C ATOM 1400 CD LYS A 88 12.337 -4.772 -4.733 1.00 42.24 C ATOM 1401 CE LYS A 88 13.274 -4.929 -3.526 1.00 14.52 C ATOM 1402 NZ LYS A 88 14.104 -3.719 -3.309 1.00 72.14 N ATOM 0 H LYS A 88 8.272 -6.158 -7.275 1.00 60.22 H new ATOM 0 HA LYS A 88 9.034 -4.888 -4.846 1.00 15.13 H new ATOM 0 HB2 LYS A 88 10.033 -6.896 -6.331 1.00 72.15 H new ATOM 0 HB3 LYS A 88 10.988 -5.607 -7.035 1.00 72.15 H new ATOM 0 HG2 LYS A 88 10.940 -6.275 -4.058 1.00 3.44 H new ATOM 0 HG3 LYS A 88 12.140 -6.875 -5.186 1.00 3.44 H new ATOM 0 HD2 LYS A 88 12.928 -4.560 -5.624 1.00 42.24 H new ATOM 0 HD3 LYS A 88 11.683 -3.915 -4.573 1.00 42.24 H new ATOM 0 HE2 LYS A 88 12.684 -5.129 -2.632 1.00 14.52 H new ATOM 0 HE3 LYS A 88 13.923 -5.791 -3.680 1.00 14.52 H new ATOM 0 HZ1 LYS A 88 14.722 -3.865 -2.486 1.00 72.14 H new ATOM 0 HZ2 LYS A 88 14.686 -3.542 -4.152 1.00 72.14 H new ATOM 0 HZ3 LYS A 88 13.486 -2.900 -3.137 1.00 72.14 H new ATOM 1416 N GLU A 89 9.478 -3.218 -7.677 1.00 41.53 N ATOM 1417 CA GLU A 89 9.752 -1.912 -8.304 1.00 34.11 C ATOM 1418 C GLU A 89 8.728 -0.856 -7.841 1.00 23.32 C ATOM 1419 O GLU A 89 9.062 0.328 -7.737 1.00 21.55 O ATOM 1420 CB GLU A 89 9.771 -2.050 -9.853 1.00 43.02 C ATOM 1421 CG GLU A 89 10.793 -3.094 -10.363 1.00 11.12 C ATOM 1422 CD GLU A 89 10.831 -3.217 -11.897 1.00 42.04 C ATOM 1423 OE1 GLU A 89 9.921 -3.844 -12.475 1.00 32.01 O ATOM 1424 OE2 GLU A 89 11.754 -2.666 -12.538 1.00 33.22 O ATOM 0 H GLU A 89 9.151 -3.924 -8.337 1.00 41.53 H new ATOM 0 HA GLU A 89 10.737 -1.571 -7.986 1.00 34.11 H new ATOM 0 HB2 GLU A 89 8.775 -2.328 -10.198 1.00 43.02 H new ATOM 0 HB3 GLU A 89 10.002 -1.080 -10.294 1.00 43.02 H new ATOM 0 HG2 GLU A 89 11.786 -2.825 -10.003 1.00 11.12 H new ATOM 0 HG3 GLU A 89 10.552 -4.067 -9.934 1.00 11.12 H new ATOM 1431 N MET A 90 7.493 -1.309 -7.540 1.00 42.00 N ATOM 1432 CA MET A 90 6.438 -0.447 -6.961 1.00 3.34 C ATOM 1433 C MET A 90 6.811 -0.014 -5.534 1.00 53.24 C ATOM 1434 O MET A 90 6.573 1.132 -5.134 1.00 12.42 O ATOM 1435 CB MET A 90 5.071 -1.171 -6.932 1.00 71.51 C ATOM 1436 CG MET A 90 4.531 -1.584 -8.303 1.00 44.34 C ATOM 1437 SD MET A 90 2.766 -1.991 -8.268 1.00 21.14 S ATOM 1438 CE MET A 90 2.705 -3.340 -7.092 1.00 15.54 C ATOM 0 H MET A 90 7.199 -2.274 -7.689 1.00 42.00 H new ATOM 0 HA MET A 90 6.356 0.434 -7.598 1.00 3.34 H new ATOM 0 HB2 MET A 90 5.161 -2.062 -6.310 1.00 71.51 H new ATOM 0 HB3 MET A 90 4.341 -0.519 -6.452 1.00 71.51 H new ATOM 0 HG2 MET A 90 4.699 -0.775 -9.013 1.00 44.34 H new ATOM 0 HG3 MET A 90 5.091 -2.446 -8.664 1.00 44.34 H new ATOM 0 HE1 MET A 90 1.670 -3.527 -6.806 1.00 15.54 H new ATOM 0 HE2 MET A 90 3.124 -4.238 -7.546 1.00 15.54 H new ATOM 0 HE3 MET A 90 3.284 -3.077 -6.207 1.00 15.54 H new ATOM 1448 N ALA A 91 7.397 -0.958 -4.773 1.00 25.01 N ATOM 1449 CA ALA A 91 7.893 -0.701 -3.414 1.00 21.33 C ATOM 1450 C ALA A 91 9.059 0.307 -3.440 1.00 11.25 C ATOM 1451 O ALA A 91 9.218 1.085 -2.495 1.00 64.51 O ATOM 1452 CB ALA A 91 8.310 -2.013 -2.736 1.00 3.54 C ATOM 0 H ALA A 91 7.538 -1.919 -5.086 1.00 25.01 H new ATOM 0 HA ALA A 91 7.085 -0.261 -2.829 1.00 21.33 H new ATOM 0 HB1 ALA A 91 8.675 -1.803 -1.731 1.00 3.54 H new ATOM 0 HB2 ALA A 91 7.451 -2.682 -2.678 1.00 3.54 H new ATOM 0 HB3 ALA A 91 9.101 -2.487 -3.317 1.00 3.54 H new ATOM 1458 N LYS A 92 9.858 0.286 -4.543 1.00 23.24 N ATOM 1459 CA LYS A 92 10.939 1.266 -4.763 1.00 42.45 C ATOM 1460 C LYS A 92 10.362 2.678 -4.894 1.00 43.43 C ATOM 1461 O LYS A 92 10.899 3.617 -4.309 1.00 31.45 O ATOM 1462 CB LYS A 92 11.802 0.931 -6.014 1.00 51.32 C ATOM 1463 CG LYS A 92 12.606 -0.382 -5.907 1.00 3.31 C ATOM 1464 CD LYS A 92 13.755 -0.506 -6.947 1.00 73.34 C ATOM 1465 CE LYS A 92 13.295 -0.609 -8.420 1.00 34.13 C ATOM 1466 NZ LYS A 92 12.789 0.679 -8.976 1.00 3.41 N ATOM 0 H LYS A 92 9.767 -0.403 -5.289 1.00 23.24 H new ATOM 0 HA LYS A 92 11.592 1.216 -3.892 1.00 42.45 H new ATOM 0 HB2 LYS A 92 11.149 0.872 -6.885 1.00 51.32 H new ATOM 0 HB3 LYS A 92 12.496 1.753 -6.191 1.00 51.32 H new ATOM 0 HG2 LYS A 92 13.027 -0.457 -4.905 1.00 3.31 H new ATOM 0 HG3 LYS A 92 11.925 -1.224 -6.031 1.00 3.31 H new ATOM 0 HD2 LYS A 92 14.411 0.359 -6.846 1.00 73.34 H new ATOM 0 HD3 LYS A 92 14.350 -1.387 -6.705 1.00 73.34 H new ATOM 0 HE2 LYS A 92 14.129 -0.956 -9.030 1.00 34.13 H new ATOM 0 HE3 LYS A 92 12.510 -1.362 -8.496 1.00 34.13 H new ATOM 0 HZ1 LYS A 92 13.121 0.788 -9.956 1.00 3.41 H new ATOM 0 HZ2 LYS A 92 11.749 0.679 -8.960 1.00 3.41 H new ATOM 0 HZ3 LYS A 92 13.144 1.469 -8.400 1.00 3.41 H new ATOM 1480 N LYS A 93 9.238 2.798 -5.646 1.00 55.15 N ATOM 1481 CA LYS A 93 8.530 4.084 -5.848 1.00 31.01 C ATOM 1482 C LYS A 93 8.088 4.685 -4.504 1.00 54.51 C ATOM 1483 O LYS A 93 8.225 5.888 -4.287 1.00 51.15 O ATOM 1484 CB LYS A 93 7.283 3.894 -6.752 1.00 22.14 C ATOM 1485 CG LYS A 93 7.572 3.628 -8.241 1.00 51.22 C ATOM 1486 CD LYS A 93 7.985 4.908 -9.009 1.00 24.30 C ATOM 1487 CE LYS A 93 8.210 4.646 -10.509 1.00 21.33 C ATOM 1488 NZ LYS A 93 8.580 5.880 -11.241 1.00 74.02 N ATOM 0 H LYS A 93 8.801 2.011 -6.125 1.00 55.15 H new ATOM 0 HA LYS A 93 9.227 4.766 -6.335 1.00 31.01 H new ATOM 0 HB2 LYS A 93 6.697 3.063 -6.361 1.00 22.14 H new ATOM 0 HB3 LYS A 93 6.662 4.786 -6.675 1.00 22.14 H new ATOM 0 HG2 LYS A 93 8.366 2.887 -8.326 1.00 51.22 H new ATOM 0 HG3 LYS A 93 6.685 3.200 -8.708 1.00 51.22 H new ATOM 0 HD2 LYS A 93 7.212 5.667 -8.888 1.00 24.30 H new ATOM 0 HD3 LYS A 93 8.899 5.311 -8.572 1.00 24.30 H new ATOM 0 HE2 LYS A 93 8.997 3.902 -10.633 1.00 21.33 H new ATOM 0 HE3 LYS A 93 7.303 4.226 -10.943 1.00 21.33 H new ATOM 0 HZ1 LYS A 93 8.722 5.658 -12.247 1.00 74.02 H new ATOM 0 HZ2 LYS A 93 7.818 6.582 -11.146 1.00 74.02 H new ATOM 0 HZ3 LYS A 93 9.460 6.268 -10.845 1.00 74.02 H new ATOM 1502 N ALA A 94 7.568 3.816 -3.615 1.00 64.13 N ATOM 1503 CA ALA A 94 7.081 4.205 -2.279 1.00 25.42 C ATOM 1504 C ALA A 94 8.223 4.761 -1.400 1.00 51.43 C ATOM 1505 O ALA A 94 8.020 5.718 -0.641 1.00 12.25 O ATOM 1506 CB ALA A 94 6.400 3.008 -1.603 1.00 21.25 C ATOM 0 H ALA A 94 7.474 2.818 -3.806 1.00 64.13 H new ATOM 0 HA ALA A 94 6.350 5.004 -2.400 1.00 25.42 H new ATOM 0 HB1 ALA A 94 6.043 3.302 -0.616 1.00 21.25 H new ATOM 0 HB2 ALA A 94 5.557 2.678 -2.211 1.00 21.25 H new ATOM 0 HB3 ALA A 94 7.116 2.192 -1.501 1.00 21.25 H new ATOM 1512 N GLU A 95 9.424 4.154 -1.533 1.00 63.33 N ATOM 1513 CA GLU A 95 10.652 4.611 -0.852 1.00 12.33 C ATOM 1514 C GLU A 95 11.099 5.985 -1.390 1.00 71.33 C ATOM 1515 O GLU A 95 11.543 6.843 -0.620 1.00 43.14 O ATOM 1516 CB GLU A 95 11.792 3.570 -1.039 1.00 10.25 C ATOM 1517 CG GLU A 95 11.501 2.187 -0.422 1.00 64.42 C ATOM 1518 CD GLU A 95 12.574 1.145 -0.778 1.00 74.21 C ATOM 1519 OE1 GLU A 95 12.505 0.571 -1.878 1.00 61.21 O ATOM 1520 OE2 GLU A 95 13.500 0.906 0.031 1.00 12.21 O ATOM 0 H GLU A 95 9.567 3.331 -2.118 1.00 63.33 H new ATOM 0 HA GLU A 95 10.433 4.711 0.211 1.00 12.33 H new ATOM 0 HB2 GLU A 95 11.982 3.446 -2.105 1.00 10.25 H new ATOM 0 HB3 GLU A 95 12.706 3.967 -0.596 1.00 10.25 H new ATOM 0 HG2 GLU A 95 11.438 2.283 0.662 1.00 64.42 H new ATOM 0 HG3 GLU A 95 10.529 1.836 -0.768 1.00 64.42 H new ATOM 1527 N GLU A 96 10.969 6.175 -2.724 1.00 31.33 N ATOM 1528 CA GLU A 96 11.340 7.430 -3.412 1.00 20.01 C ATOM 1529 C GLU A 96 10.468 8.592 -2.914 1.00 23.52 C ATOM 1530 O GLU A 96 10.987 9.619 -2.477 1.00 24.01 O ATOM 1531 CB GLU A 96 11.195 7.283 -4.956 1.00 61.44 C ATOM 1532 CG GLU A 96 12.102 6.213 -5.600 1.00 41.44 C ATOM 1533 CD GLU A 96 13.608 6.532 -5.512 1.00 42.11 C ATOM 1534 OE1 GLU A 96 14.123 7.254 -6.396 1.00 31.33 O ATOM 1535 OE2 GLU A 96 14.285 6.063 -4.570 1.00 0.02 O ATOM 0 H GLU A 96 10.603 5.460 -3.353 1.00 31.33 H new ATOM 0 HA GLU A 96 12.384 7.644 -3.181 1.00 20.01 H new ATOM 0 HB2 GLU A 96 10.157 7.044 -5.187 1.00 61.44 H new ATOM 0 HB3 GLU A 96 11.410 8.246 -5.419 1.00 61.44 H new ATOM 0 HG2 GLU A 96 11.915 5.254 -5.116 1.00 41.44 H new ATOM 0 HG3 GLU A 96 11.826 6.100 -6.648 1.00 41.44 H new ATOM 1542 N TRP A 97 9.135 8.374 -2.953 1.00 44.34 N ATOM 1543 CA TRP A 97 8.128 9.358 -2.509 1.00 53.44 C ATOM 1544 C TRP A 97 8.318 9.713 -1.033 1.00 0.13 C ATOM 1545 O TRP A 97 8.052 10.850 -0.626 1.00 33.22 O ATOM 1546 CB TRP A 97 6.696 8.816 -2.735 1.00 0.11 C ATOM 1547 CG TRP A 97 6.358 8.535 -4.176 1.00 63.50 C ATOM 1548 CD1 TRP A 97 6.792 9.214 -5.286 1.00 74.31 C ATOM 1549 CD2 TRP A 97 5.485 7.512 -4.652 1.00 3.01 C ATOM 1550 NE1 TRP A 97 6.262 8.646 -6.415 1.00 12.32 N ATOM 1551 CE2 TRP A 97 5.454 7.609 -6.053 1.00 62.33 C ATOM 1552 CE3 TRP A 97 4.733 6.521 -4.023 1.00 31.53 C ATOM 1553 CZ2 TRP A 97 4.704 6.751 -6.833 1.00 33.41 C ATOM 1554 CZ3 TRP A 97 3.988 5.668 -4.799 1.00 42.51 C ATOM 1555 CH2 TRP A 97 3.982 5.791 -6.193 1.00 1.03 C ATOM 0 H TRP A 97 8.727 7.504 -3.296 1.00 44.34 H new ATOM 0 HA TRP A 97 8.265 10.260 -3.105 1.00 53.44 H new ATOM 0 HB2 TRP A 97 6.573 7.898 -2.160 1.00 0.11 H new ATOM 0 HB3 TRP A 97 5.981 9.538 -2.341 1.00 0.11 H new ATOM 0 HD1 TRP A 97 7.453 10.068 -5.272 1.00 74.31 H new ATOM 0 HE1 TRP A 97 6.443 8.950 -7.372 1.00 12.32 H new ATOM 0 HE3 TRP A 97 4.736 6.426 -2.947 1.00 31.53 H new ATOM 0 HZ2 TRP A 97 4.691 6.838 -7.909 1.00 33.41 H new ATOM 0 HZ3 TRP A 97 3.400 4.894 -4.329 1.00 42.51 H new ATOM 0 HH2 TRP A 97 3.388 5.105 -6.778 1.00 1.03 H new ATOM 1566 N LEU A 98 8.779 8.724 -0.244 1.00 2.40 N ATOM 1567 CA LEU A 98 9.034 8.905 1.183 1.00 71.40 C ATOM 1568 C LEU A 98 10.198 9.883 1.409 1.00 13.54 C ATOM 1569 O LEU A 98 10.138 10.701 2.321 1.00 64.24 O ATOM 1570 CB LEU A 98 9.312 7.546 1.876 1.00 35.11 C ATOM 1571 CG LEU A 98 9.462 7.606 3.429 1.00 12.13 C ATOM 1572 CD1 LEU A 98 8.251 8.319 4.068 1.00 55.21 C ATOM 1573 CD2 LEU A 98 9.668 6.196 4.023 1.00 33.14 C ATOM 0 H LEU A 98 8.982 7.784 -0.584 1.00 2.40 H new ATOM 0 HA LEU A 98 8.138 9.333 1.633 1.00 71.40 H new ATOM 0 HB2 LEU A 98 8.501 6.860 1.632 1.00 35.11 H new ATOM 0 HB3 LEU A 98 10.224 7.123 1.456 1.00 35.11 H new ATOM 0 HG LEU A 98 10.352 8.190 3.663 1.00 12.13 H new ATOM 0 HD11 LEU A 98 8.376 8.350 5.150 1.00 55.21 H new ATOM 0 HD12 LEU A 98 8.182 9.336 3.682 1.00 55.21 H new ATOM 0 HD13 LEU A 98 7.338 7.776 3.824 1.00 55.21 H new ATOM 0 HD21 LEU A 98 9.769 6.269 5.106 1.00 33.14 H new ATOM 0 HD22 LEU A 98 8.809 5.570 3.780 1.00 33.14 H new ATOM 0 HD23 LEU A 98 10.571 5.753 3.603 1.00 33.14 H new ATOM 1585 N GLN A 99 11.244 9.805 0.557 1.00 62.02 N ATOM 1586 CA GLN A 99 12.397 10.733 0.631 1.00 62.32 C ATOM 1587 C GLN A 99 11.973 12.160 0.224 1.00 23.44 C ATOM 1588 O GLN A 99 12.543 13.143 0.708 1.00 34.43 O ATOM 1589 CB GLN A 99 13.575 10.243 -0.264 1.00 34.34 C ATOM 1590 CG GLN A 99 14.070 8.801 0.021 1.00 44.24 C ATOM 1591 CD GLN A 99 14.714 8.568 1.410 1.00 43.01 C ATOM 1592 OE1 GLN A 99 14.384 9.212 2.406 1.00 21.15 O ATOM 1593 NE2 GLN A 99 15.628 7.607 1.489 1.00 4.23 N ATOM 0 H GLN A 99 11.315 9.112 -0.188 1.00 62.02 H new ATOM 0 HA GLN A 99 12.743 10.752 1.665 1.00 62.32 H new ATOM 0 HB2 GLN A 99 13.266 10.304 -1.308 1.00 34.34 H new ATOM 0 HB3 GLN A 99 14.413 10.928 -0.139 1.00 34.34 H new ATOM 0 HG2 GLN A 99 13.225 8.120 -0.085 1.00 44.24 H new ATOM 0 HG3 GLN A 99 14.796 8.529 -0.745 1.00 44.24 H new ATOM 0 HE21 GLN A 99 15.890 7.083 0.654 1.00 4.23 H new ATOM 0 HE22 GLN A 99 16.067 7.393 2.384 1.00 4.23 H new ATOM 1602 N ALA A 100 10.962 12.251 -0.666 1.00 1.21 N ATOM 1603 CA ALA A 100 10.399 13.536 -1.134 1.00 15.31 C ATOM 1604 C ALA A 100 9.644 14.247 0.005 1.00 31.03 C ATOM 1605 O ALA A 100 9.840 15.447 0.239 1.00 0.31 O ATOM 1606 CB ALA A 100 9.474 13.301 -2.345 1.00 53.21 C ATOM 0 H ALA A 100 10.513 11.435 -1.081 1.00 1.21 H new ATOM 0 HA ALA A 100 11.219 14.183 -1.447 1.00 15.31 H new ATOM 0 HB1 ALA A 100 9.065 14.254 -2.681 1.00 53.21 H new ATOM 0 HB2 ALA A 100 10.043 12.845 -3.155 1.00 53.21 H new ATOM 0 HB3 ALA A 100 8.658 12.638 -2.057 1.00 53.21 H new ATOM 1612 N GLU A 101 8.800 13.481 0.718 1.00 43.23 N ATOM 1613 CA GLU A 101 7.979 13.988 1.837 1.00 21.31 C ATOM 1614 C GLU A 101 8.822 14.286 3.088 1.00 33.42 C ATOM 1615 O GLU A 101 8.583 15.281 3.782 1.00 71.34 O ATOM 1616 CB GLU A 101 6.873 12.963 2.175 1.00 10.34 C ATOM 1617 CG GLU A 101 5.778 12.816 1.108 1.00 74.41 C ATOM 1618 CD GLU A 101 4.976 14.102 0.875 1.00 52.14 C ATOM 1619 OE1 GLU A 101 4.222 14.510 1.782 1.00 53.21 O ATOM 1620 OE2 GLU A 101 5.120 14.729 -0.194 1.00 73.12 O ATOM 0 H GLU A 101 8.666 12.487 0.535 1.00 43.23 H new ATOM 0 HA GLU A 101 7.530 14.929 1.519 1.00 21.31 H new ATOM 0 HB2 GLU A 101 7.337 11.990 2.335 1.00 10.34 H new ATOM 0 HB3 GLU A 101 6.406 13.252 3.116 1.00 10.34 H new ATOM 0 HG2 GLU A 101 6.236 12.507 0.168 1.00 74.41 H new ATOM 0 HG3 GLU A 101 5.095 12.020 1.406 1.00 74.41 H new