USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 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 Set 1.1: A 29 TYR OH : rot -29:sc= 0.626 USER MOD Set 1.2: A 70 SER OG : rot 83:sc= 1.4 USER MOD Single : A 24 MET CE :methyl -152:sc= -0.184 (180deg=-0.985) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.8) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc=-0.00924 (180deg=-0.106) USER MOD Single : A 38 MET CE :methyl -175:sc= -0.374 (180deg=-0.5) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.157 (180deg=-2.91!) 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+ -172:sc= 0 (180deg=-0.0902) USER MOD Single : A 59 HIS : no HE2:sc= 0.0499 K(o=0.05,f=-1.2) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.53 (180deg=-0.935) USER MOD Single : A 76 THR OG1 : rot -14:sc= 0.127 USER MOD Single : A 88 LYS NZ :NH3+ -125:sc= -0.0305 (180deg=-2.15!) USER MOD Single : A 90 MET CE :methyl -152:sc= -2.65 (180deg=-3.43!) USER MOD Single : A 92 LYS NZ :NH3+ -144:sc= -1.56 (180deg=-3.47!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.344 K(o=-0.34,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -9.967 8.487 1.222 1.00 54.23 N ATOM 369 CA MET A 24 -9.639 7.137 0.731 1.00 60.12 C ATOM 370 C MET A 24 -8.111 6.954 0.698 1.00 43.42 C ATOM 371 O MET A 24 -7.393 7.635 1.439 1.00 15.45 O ATOM 372 CB MET A 24 -10.302 6.945 -0.657 1.00 12.12 C ATOM 373 CG MET A 24 -11.826 6.743 -0.602 1.00 60.05 C ATOM 374 SD MET A 24 -12.639 7.222 -2.127 1.00 41.42 S ATOM 375 CE MET A 24 -12.323 8.991 -2.136 1.00 50.33 C ATOM 0 HA MET A 24 -10.030 6.368 1.397 1.00 60.12 H new ATOM 0 HB2 MET A 24 -10.084 7.815 -1.276 1.00 12.12 H new ATOM 0 HB3 MET A 24 -9.849 6.083 -1.148 1.00 12.12 H new ATOM 0 HG2 MET A 24 -12.043 5.696 -0.392 1.00 60.05 H new ATOM 0 HG3 MET A 24 -12.237 7.325 0.223 1.00 60.05 H new ATOM 0 HE1 MET A 24 -13.119 9.500 -2.680 1.00 50.33 H new ATOM 0 HE2 MET A 24 -12.291 9.360 -1.111 1.00 50.33 H new ATOM 0 HE3 MET A 24 -11.368 9.187 -2.623 1.00 50.33 H new ATOM 385 N GLY A 25 -7.621 6.023 -0.140 1.00 54.04 N ATOM 386 CA GLY A 25 -6.229 5.579 -0.095 1.00 21.32 C ATOM 387 C GLY A 25 -6.032 4.537 0.993 1.00 43.42 C ATOM 388 O GLY A 25 -5.684 3.392 0.713 1.00 63.33 O ATOM 0 H GLY A 25 -8.179 5.564 -0.860 1.00 54.04 H new ATOM 0 HA2 GLY A 25 -5.944 5.162 -1.061 1.00 21.32 H new ATOM 0 HA3 GLY A 25 -5.576 6.432 0.089 1.00 21.32 H new ATOM 392 N ARG A 26 -6.326 4.950 2.241 1.00 43.52 N ATOM 393 CA ARG A 26 -6.235 4.113 3.448 1.00 4.34 C ATOM 394 C ARG A 26 -7.200 2.912 3.382 1.00 60.32 C ATOM 395 O ARG A 26 -6.963 1.887 4.029 1.00 32.24 O ATOM 396 CB ARG A 26 -6.504 4.997 4.700 1.00 0.12 C ATOM 397 CG ARG A 26 -6.070 4.380 6.047 1.00 62.41 C ATOM 398 CD ARG A 26 -6.308 5.332 7.230 1.00 74.34 C ATOM 399 NE ARG A 26 -5.934 4.726 8.523 1.00 24.22 N ATOM 400 CZ ARG A 26 -4.982 5.186 9.356 1.00 42.21 C ATOM 401 NH1 ARG A 26 -4.270 6.276 9.062 1.00 12.25 N ATOM 402 NH2 ARG A 26 -4.772 4.571 10.510 1.00 13.21 N ATOM 0 H ARG A 26 -6.641 5.899 2.440 1.00 43.52 H new ATOM 0 HA ARG A 26 -5.231 3.695 3.516 1.00 4.34 H new ATOM 0 HB2 ARG A 26 -5.987 5.948 4.571 1.00 0.12 H new ATOM 0 HB3 ARG A 26 -7.570 5.218 4.747 1.00 0.12 H new ATOM 0 HG2 ARG A 26 -6.620 3.453 6.213 1.00 62.41 H new ATOM 0 HG3 ARG A 26 -5.013 4.119 6.001 1.00 62.41 H new ATOM 0 HD2 ARG A 26 -5.732 6.245 7.080 1.00 74.34 H new ATOM 0 HD3 ARG A 26 -7.359 5.619 7.257 1.00 74.34 H new ATOM 0 HE ARG A 26 -6.440 3.888 8.809 1.00 24.22 H new ATOM 0 HH11 ARG A 26 -4.443 6.778 8.191 1.00 12.25 H new ATOM 0 HH12 ARG A 26 -3.553 6.607 9.708 1.00 12.25 H new ATOM 0 HH21 ARG A 26 -5.330 3.755 10.762 1.00 13.21 H new ATOM 0 HH22 ARG A 26 -4.052 4.913 11.147 1.00 13.21 H new ATOM 416 N ALA A 27 -8.281 3.053 2.584 1.00 43.13 N ATOM 417 CA ALA A 27 -9.218 1.958 2.321 1.00 24.31 C ATOM 418 C ALA A 27 -8.551 0.870 1.453 1.00 23.54 C ATOM 419 O ALA A 27 -8.679 -0.304 1.766 1.00 63.43 O ATOM 420 CB ALA A 27 -10.504 2.484 1.673 1.00 31.52 C ATOM 0 H ALA A 27 -8.520 3.925 2.111 1.00 43.13 H new ATOM 0 HA ALA A 27 -9.493 1.503 3.272 1.00 24.31 H new ATOM 0 HB1 ALA A 27 -11.184 1.653 1.487 1.00 31.52 H new ATOM 0 HB2 ALA A 27 -10.981 3.201 2.341 1.00 31.52 H new ATOM 0 HB3 ALA A 27 -10.262 2.973 0.729 1.00 31.52 H new ATOM 426 N LEU A 28 -7.813 1.279 0.377 1.00 63.54 N ATOM 427 CA LEU A 28 -7.020 0.329 -0.450 1.00 14.41 C ATOM 428 C LEU A 28 -5.888 -0.298 0.379 1.00 72.53 C ATOM 429 O LEU A 28 -5.553 -1.464 0.187 1.00 44.21 O ATOM 430 CB LEU A 28 -6.413 0.988 -1.735 1.00 53.55 C ATOM 431 CG LEU A 28 -7.334 1.044 -2.992 1.00 24.43 C ATOM 432 CD1 LEU A 28 -6.597 1.651 -4.205 1.00 53.51 C ATOM 433 CD2 LEU A 28 -7.915 -0.342 -3.324 1.00 74.10 C ATOM 0 H LEU A 28 -7.754 2.249 0.069 1.00 63.54 H new ATOM 0 HA LEU A 28 -7.720 -0.441 -0.775 1.00 14.41 H new ATOM 0 HB2 LEU A 28 -6.113 2.006 -1.487 1.00 53.55 H new ATOM 0 HB3 LEU A 28 -5.506 0.445 -2.001 1.00 53.55 H new ATOM 0 HG LEU A 28 -8.170 1.702 -2.755 1.00 24.43 H new ATOM 0 HD11 LEU A 28 -7.268 1.675 -5.064 1.00 53.51 H new ATOM 0 HD12 LEU A 28 -6.277 2.665 -3.966 1.00 53.51 H new ATOM 0 HD13 LEU A 28 -5.725 1.042 -4.443 1.00 53.51 H new ATOM 0 HD21 LEU A 28 -8.552 -0.268 -4.205 1.00 74.10 H new ATOM 0 HD22 LEU A 28 -7.101 -1.040 -3.522 1.00 74.10 H new ATOM 0 HD23 LEU A 28 -8.504 -0.702 -2.480 1.00 74.10 H new ATOM 445 N TYR A 29 -5.301 0.509 1.285 1.00 71.13 N ATOM 446 CA TYR A 29 -4.253 0.051 2.206 1.00 52.45 C ATOM 447 C TYR A 29 -4.800 -1.081 3.107 1.00 65.34 C ATOM 448 O TYR A 29 -4.135 -2.104 3.297 1.00 40.41 O ATOM 449 CB TYR A 29 -3.717 1.241 3.064 1.00 1.14 C ATOM 450 CG TYR A 29 -2.707 0.815 4.136 1.00 51.33 C ATOM 451 CD1 TYR A 29 -1.372 0.589 3.814 1.00 14.30 C ATOM 452 CD2 TYR A 29 -3.097 0.594 5.462 1.00 43.11 C ATOM 453 CE1 TYR A 29 -0.472 0.159 4.765 1.00 1.10 C ATOM 454 CE2 TYR A 29 -2.200 0.159 6.410 1.00 71.35 C ATOM 455 CZ TYR A 29 -0.890 -0.057 6.057 1.00 44.32 C ATOM 456 OH TYR A 29 0.005 -0.501 7.006 1.00 0.42 O ATOM 0 H TYR A 29 -5.543 1.494 1.395 1.00 71.13 H new ATOM 0 HA TYR A 29 -3.419 -0.343 1.625 1.00 52.45 H new ATOM 0 HB2 TYR A 29 -3.249 1.972 2.405 1.00 1.14 H new ATOM 0 HB3 TYR A 29 -4.558 1.739 3.546 1.00 1.14 H new ATOM 0 HD1 TYR A 29 -1.035 0.753 2.801 1.00 14.30 H new ATOM 0 HD2 TYR A 29 -4.124 0.769 5.747 1.00 43.11 H new ATOM 0 HE1 TYR A 29 0.560 -0.008 4.496 1.00 1.10 H new ATOM 0 HE2 TYR A 29 -2.524 -0.012 7.426 1.00 71.35 H new ATOM 0 HH TYR A 29 0.703 -1.035 6.573 1.00 0.42 H new ATOM 466 N ASN A 30 -6.030 -0.886 3.623 1.00 24.10 N ATOM 467 CA ASN A 30 -6.675 -1.836 4.547 1.00 71.11 C ATOM 468 C ASN A 30 -7.060 -3.134 3.806 1.00 64.43 C ATOM 469 O ASN A 30 -6.914 -4.231 4.355 1.00 20.31 O ATOM 470 CB ASN A 30 -7.920 -1.200 5.220 1.00 22.45 C ATOM 471 CG ASN A 30 -8.311 -1.924 6.512 1.00 34.23 C ATOM 472 OD1 ASN A 30 -9.048 -2.905 6.497 1.00 51.34 O ATOM 473 ND2 ASN A 30 -7.788 -1.463 7.640 1.00 53.31 N ATOM 0 H ASN A 30 -6.601 -0.068 3.411 1.00 24.10 H new ATOM 0 HA ASN A 30 -5.960 -2.085 5.331 1.00 71.11 H new ATOM 0 HB2 ASN A 30 -7.717 -0.152 5.440 1.00 22.45 H new ATOM 0 HB3 ASN A 30 -8.759 -1.223 4.524 1.00 22.45 H new ATOM 0 HD21 ASN A 30 -7.995 -1.926 8.525 1.00 53.31 H new ATOM 0 HD22 ASN A 30 -7.178 -0.645 7.623 1.00 53.31 H new ATOM 480 N ILE A 31 -7.527 -2.979 2.540 1.00 22.14 N ATOM 481 CA ILE A 31 -7.813 -4.107 1.636 1.00 30.31 C ATOM 482 C ILE A 31 -6.519 -4.901 1.374 1.00 53.03 C ATOM 483 O ILE A 31 -6.528 -6.137 1.361 1.00 61.25 O ATOM 484 CB ILE A 31 -8.408 -3.618 0.252 1.00 22.35 C ATOM 485 CG1 ILE A 31 -9.795 -2.929 0.426 1.00 24.23 C ATOM 486 CG2 ILE A 31 -8.518 -4.778 -0.757 1.00 41.51 C ATOM 487 CD1 ILE A 31 -10.372 -2.346 -0.860 1.00 62.55 C ATOM 0 H ILE A 31 -7.713 -2.066 2.124 1.00 22.14 H new ATOM 0 HA ILE A 31 -8.557 -4.738 2.122 1.00 30.31 H new ATOM 0 HB ILE A 31 -7.710 -2.880 -0.142 1.00 22.35 H new ATOM 0 HG12 ILE A 31 -10.500 -3.655 0.830 1.00 24.23 H new ATOM 0 HG13 ILE A 31 -9.701 -2.131 1.163 1.00 24.23 H new ATOM 0 HG21 ILE A 31 -8.930 -4.406 -1.695 1.00 41.51 H new ATOM 0 HG22 ILE A 31 -7.529 -5.199 -0.937 1.00 41.51 H new ATOM 0 HG23 ILE A 31 -9.173 -5.550 -0.354 1.00 41.51 H new ATOM 0 HD11 ILE A 31 -11.337 -1.886 -0.650 1.00 62.55 H new ATOM 0 HD12 ILE A 31 -9.690 -1.594 -1.256 1.00 62.55 H new ATOM 0 HD13 ILE A 31 -10.501 -3.141 -1.594 1.00 62.55 H new ATOM 499 N GLY A 32 -5.415 -4.146 1.184 1.00 73.03 N ATOM 500 CA GLY A 32 -4.101 -4.711 0.925 1.00 33.43 C ATOM 501 C GLY A 32 -3.630 -5.609 2.056 1.00 64.13 C ATOM 502 O GLY A 32 -3.137 -6.716 1.814 1.00 74.43 O ATOM 0 H GLY A 32 -5.425 -3.126 1.209 1.00 73.03 H new ATOM 0 HA2 GLY A 32 -4.129 -5.283 -0.003 1.00 33.43 H new ATOM 0 HA3 GLY A 32 -3.382 -3.904 0.780 1.00 33.43 H new ATOM 506 N LEU A 33 -3.827 -5.133 3.304 1.00 52.32 N ATOM 507 CA LEU A 33 -3.520 -5.908 4.521 1.00 22.25 C ATOM 508 C LEU A 33 -4.248 -7.262 4.480 1.00 71.20 C ATOM 509 O LEU A 33 -3.614 -8.309 4.612 1.00 14.23 O ATOM 510 CB LEU A 33 -3.919 -5.108 5.798 1.00 32.42 C ATOM 511 CG LEU A 33 -3.151 -3.769 6.034 1.00 4.01 C ATOM 512 CD1 LEU A 33 -3.771 -2.975 7.194 1.00 72.43 C ATOM 513 CD2 LEU A 33 -1.646 -4.017 6.271 1.00 45.34 C ATOM 0 H LEU A 33 -4.202 -4.204 3.494 1.00 52.32 H new ATOM 0 HA LEU A 33 -2.446 -6.089 4.558 1.00 22.25 H new ATOM 0 HB2 LEU A 33 -4.985 -4.888 5.747 1.00 32.42 H new ATOM 0 HB3 LEU A 33 -3.767 -5.749 6.666 1.00 32.42 H new ATOM 0 HG LEU A 33 -3.246 -3.170 5.129 1.00 4.01 H new ATOM 0 HD11 LEU A 33 -3.217 -2.047 7.337 1.00 72.43 H new ATOM 0 HD12 LEU A 33 -4.811 -2.745 6.962 1.00 72.43 H new ATOM 0 HD13 LEU A 33 -3.725 -3.569 8.107 1.00 72.43 H new ATOM 0 HD21 LEU A 33 -1.141 -3.064 6.432 1.00 45.34 H new ATOM 0 HD22 LEU A 33 -1.515 -4.650 7.149 1.00 45.34 H new ATOM 0 HD23 LEU A 33 -1.217 -4.512 5.400 1.00 45.34 H new ATOM 525 N GLU A 34 -5.565 -7.206 4.194 1.00 52.42 N ATOM 526 CA GLU A 34 -6.443 -8.390 4.145 1.00 54.42 C ATOM 527 C GLU A 34 -6.006 -9.397 3.056 1.00 53.43 C ATOM 528 O GLU A 34 -6.068 -10.609 3.280 1.00 14.33 O ATOM 529 CB GLU A 34 -7.905 -7.965 3.892 1.00 51.42 C ATOM 530 CG GLU A 34 -8.509 -7.011 4.931 1.00 71.03 C ATOM 531 CD GLU A 34 -8.610 -7.631 6.329 1.00 50.34 C ATOM 532 OE1 GLU A 34 -9.494 -8.489 6.538 1.00 62.35 O ATOM 533 OE2 GLU A 34 -7.814 -7.274 7.220 1.00 23.44 O ATOM 0 H GLU A 34 -6.051 -6.333 3.990 1.00 52.42 H new ATOM 0 HA GLU A 34 -6.363 -8.885 5.113 1.00 54.42 H new ATOM 0 HB2 GLU A 34 -7.962 -7.490 2.913 1.00 51.42 H new ATOM 0 HB3 GLU A 34 -8.522 -8.862 3.847 1.00 51.42 H new ATOM 0 HG2 GLU A 34 -7.901 -6.108 4.984 1.00 71.03 H new ATOM 0 HG3 GLU A 34 -9.503 -6.707 4.602 1.00 71.03 H new ATOM 540 N LYS A 35 -5.579 -8.882 1.874 1.00 40.50 N ATOM 541 CA LYS A 35 -5.116 -9.730 0.749 1.00 21.25 C ATOM 542 C LYS A 35 -3.893 -10.567 1.180 1.00 44.02 C ATOM 543 O LYS A 35 -3.826 -11.772 0.899 1.00 15.13 O ATOM 544 CB LYS A 35 -4.761 -8.876 -0.500 1.00 12.53 C ATOM 545 CG LYS A 35 -5.942 -8.131 -1.164 1.00 3.54 C ATOM 546 CD LYS A 35 -7.003 -9.070 -1.800 1.00 51.24 C ATOM 547 CE LYS A 35 -8.132 -8.282 -2.498 1.00 51.41 C ATOM 548 NZ LYS A 35 -9.215 -9.159 -3.025 1.00 44.35 N ATOM 0 H LYS A 35 -5.547 -7.882 1.677 1.00 40.50 H new ATOM 0 HA LYS A 35 -5.934 -10.398 0.479 1.00 21.25 H new ATOM 0 HB2 LYS A 35 -4.008 -8.142 -0.213 1.00 12.53 H new ATOM 0 HB3 LYS A 35 -4.303 -9.528 -1.244 1.00 12.53 H new ATOM 0 HG2 LYS A 35 -6.428 -7.503 -0.417 1.00 3.54 H new ATOM 0 HG3 LYS A 35 -5.552 -7.466 -1.934 1.00 3.54 H new ATOM 0 HD2 LYS A 35 -6.519 -9.726 -2.523 1.00 51.24 H new ATOM 0 HD3 LYS A 35 -7.431 -9.708 -1.027 1.00 51.24 H new ATOM 0 HE2 LYS A 35 -8.560 -7.570 -1.793 1.00 51.41 H new ATOM 0 HE3 LYS A 35 -7.709 -7.703 -3.319 1.00 51.41 H new ATOM 0 HZ1 LYS A 35 -9.944 -8.574 -3.482 1.00 44.35 H new ATOM 0 HZ2 LYS A 35 -8.817 -9.822 -3.720 1.00 44.35 H new ATOM 0 HZ3 LYS A 35 -9.641 -9.693 -2.241 1.00 44.35 H new ATOM 562 N ASN A 36 -2.958 -9.904 1.891 1.00 21.30 N ATOM 563 CA ASN A 36 -1.720 -10.525 2.402 1.00 74.33 C ATOM 564 C ASN A 36 -2.041 -11.525 3.535 1.00 41.12 C ATOM 565 O ASN A 36 -1.396 -12.573 3.642 1.00 33.15 O ATOM 566 CB ASN A 36 -0.732 -9.421 2.885 1.00 71.12 C ATOM 567 CG ASN A 36 0.639 -9.951 3.356 1.00 21.45 C ATOM 568 OD1 ASN A 36 1.114 -10.993 2.908 1.00 32.23 O ATOM 569 ND2 ASN A 36 1.297 -9.215 4.235 1.00 13.44 N ATOM 0 H ASN A 36 -3.042 -8.915 2.128 1.00 21.30 H new ATOM 0 HA ASN A 36 -1.243 -11.082 1.596 1.00 74.33 H new ATOM 0 HB2 ASN A 36 -0.574 -8.712 2.072 1.00 71.12 H new ATOM 0 HB3 ASN A 36 -1.195 -8.870 3.703 1.00 71.12 H new ATOM 0 HD21 ASN A 36 2.220 -9.508 4.556 1.00 13.44 H new ATOM 0 HD22 ASN A 36 0.882 -8.354 4.592 1.00 13.44 H new ATOM 576 N LYS A 37 -3.077 -11.205 4.345 1.00 55.31 N ATOM 577 CA LYS A 37 -3.563 -12.080 5.443 1.00 53.45 C ATOM 578 C LYS A 37 -4.169 -13.386 4.889 1.00 74.51 C ATOM 579 O LYS A 37 -4.134 -14.429 5.553 1.00 12.04 O ATOM 580 CB LYS A 37 -4.610 -11.330 6.320 1.00 41.23 C ATOM 581 CG LYS A 37 -4.037 -10.118 7.101 1.00 61.22 C ATOM 582 CD LYS A 37 -5.107 -9.331 7.889 1.00 1.23 C ATOM 583 CE LYS A 37 -5.752 -10.150 9.017 1.00 54.15 C ATOM 584 NZ LYS A 37 -4.750 -10.595 10.026 1.00 4.00 N ATOM 0 H LYS A 37 -3.601 -10.334 4.258 1.00 55.31 H new ATOM 0 HA LYS A 37 -2.706 -12.340 6.065 1.00 53.45 H new ATOM 0 HB2 LYS A 37 -5.422 -10.984 5.680 1.00 41.23 H new ATOM 0 HB3 LYS A 37 -5.042 -12.034 7.031 1.00 41.23 H new ATOM 0 HG2 LYS A 37 -3.273 -10.471 7.794 1.00 61.22 H new ATOM 0 HG3 LYS A 37 -3.545 -9.444 6.400 1.00 61.22 H new ATOM 0 HD2 LYS A 37 -4.652 -8.436 8.313 1.00 1.23 H new ATOM 0 HD3 LYS A 37 -5.884 -8.998 7.201 1.00 1.23 H new ATOM 0 HE2 LYS A 37 -6.519 -9.551 9.507 1.00 54.15 H new ATOM 0 HE3 LYS A 37 -6.251 -11.021 8.593 1.00 54.15 H new ATOM 0 HZ1 LYS A 37 -5.241 -11.010 10.843 1.00 4.00 H new ATOM 0 HZ2 LYS A 37 -4.122 -11.307 9.601 1.00 4.00 H new ATOM 0 HZ3 LYS A 37 -4.186 -9.779 10.339 1.00 4.00 H new ATOM 598 N MET A 38 -4.715 -13.317 3.661 1.00 33.35 N ATOM 599 CA MET A 38 -5.289 -14.486 2.957 1.00 73.02 C ATOM 600 C MET A 38 -4.240 -15.182 2.061 1.00 53.42 C ATOM 601 O MET A 38 -4.560 -16.158 1.373 1.00 20.41 O ATOM 602 CB MET A 38 -6.528 -14.047 2.129 1.00 75.15 C ATOM 603 CG MET A 38 -7.688 -13.493 2.973 1.00 74.43 C ATOM 604 SD MET A 38 -9.100 -12.959 1.979 1.00 63.11 S ATOM 605 CE MET A 38 -8.397 -11.633 1.002 1.00 23.44 C ATOM 0 H MET A 38 -4.772 -12.450 3.126 1.00 33.35 H new ATOM 0 HA MET A 38 -5.604 -15.215 3.704 1.00 73.02 H new ATOM 0 HB2 MET A 38 -6.220 -13.286 1.412 1.00 75.15 H new ATOM 0 HB3 MET A 38 -6.887 -14.900 1.554 1.00 75.15 H new ATOM 0 HG2 MET A 38 -8.016 -14.259 3.676 1.00 74.43 H new ATOM 0 HG3 MET A 38 -7.329 -12.651 3.564 1.00 74.43 H new ATOM 0 HE1 MET A 38 -9.182 -11.160 0.412 1.00 23.44 H new ATOM 0 HE2 MET A 38 -7.945 -10.894 1.663 1.00 23.44 H new ATOM 0 HE3 MET A 38 -7.636 -12.037 0.335 1.00 23.44 H new ATOM 615 N GLY A 39 -2.990 -14.673 2.075 1.00 42.03 N ATOM 616 CA GLY A 39 -1.867 -15.312 1.372 1.00 24.45 C ATOM 617 C GLY A 39 -1.507 -14.641 0.055 1.00 63.55 C ATOM 618 O GLY A 39 -0.351 -14.710 -0.386 1.00 1.03 O ATOM 0 H GLY A 39 -2.737 -13.817 2.569 1.00 42.03 H new ATOM 0 HA2 GLY A 39 -0.993 -15.307 2.023 1.00 24.45 H new ATOM 0 HA3 GLY A 39 -2.116 -16.356 1.181 1.00 24.45 H new ATOM 622 N LYS A 40 -2.501 -13.990 -0.582 1.00 74.21 N ATOM 623 CA LYS A 40 -2.331 -13.352 -1.901 1.00 23.24 C ATOM 624 C LYS A 40 -1.731 -11.946 -1.739 1.00 74.04 C ATOM 625 O LYS A 40 -2.434 -10.927 -1.836 1.00 21.34 O ATOM 626 CB LYS A 40 -3.687 -13.283 -2.646 1.00 14.24 C ATOM 627 CG LYS A 40 -4.390 -14.647 -2.831 1.00 43.32 C ATOM 628 CD LYS A 40 -5.699 -14.580 -3.660 1.00 33.21 C ATOM 629 CE LYS A 40 -6.855 -13.830 -2.964 1.00 23.50 C ATOM 630 NZ LYS A 40 -6.642 -12.358 -2.871 1.00 75.23 N ATOM 0 H LYS A 40 -3.441 -13.892 -0.197 1.00 74.21 H new ATOM 0 HA LYS A 40 -1.644 -13.955 -2.495 1.00 23.24 H new ATOM 0 HB2 LYS A 40 -4.354 -12.617 -2.099 1.00 14.24 H new ATOM 0 HB3 LYS A 40 -3.525 -12.836 -3.627 1.00 14.24 H new ATOM 0 HG2 LYS A 40 -3.700 -15.336 -3.318 1.00 43.32 H new ATOM 0 HG3 LYS A 40 -4.616 -15.063 -1.849 1.00 43.32 H new ATOM 0 HD2 LYS A 40 -5.487 -14.094 -4.612 1.00 33.21 H new ATOM 0 HD3 LYS A 40 -6.024 -15.595 -3.886 1.00 33.21 H new ATOM 0 HE2 LYS A 40 -7.780 -14.021 -3.508 1.00 23.50 H new ATOM 0 HE3 LYS A 40 -6.986 -14.234 -1.960 1.00 23.50 H new ATOM 0 HZ1 LYS A 40 -7.542 -11.866 -3.040 1.00 75.23 H new ATOM 0 HZ2 LYS A 40 -6.289 -12.118 -1.923 1.00 75.23 H new ATOM 0 HZ3 LYS A 40 -5.946 -12.062 -3.585 1.00 75.23 H new ATOM 644 N ALA A 41 -0.421 -11.911 -1.470 1.00 14.44 N ATOM 645 CA ALA A 41 0.306 -10.666 -1.191 1.00 3.40 C ATOM 646 C ALA A 41 0.641 -9.875 -2.466 1.00 32.35 C ATOM 647 O ALA A 41 1.200 -8.775 -2.370 1.00 40.41 O ATOM 648 CB ALA A 41 1.562 -10.970 -0.379 1.00 0.41 C ATOM 0 H ALA A 41 0.166 -12.745 -1.439 1.00 14.44 H new ATOM 0 HA ALA A 41 -0.351 -10.025 -0.604 1.00 3.40 H new ATOM 0 HB1 ALA A 41 2.097 -10.042 -0.175 1.00 0.41 H new ATOM 0 HB2 ALA A 41 1.281 -11.441 0.563 1.00 0.41 H new ATOM 0 HB3 ALA A 41 2.206 -11.644 -0.944 1.00 0.41 H new ATOM 654 N ARG A 42 0.290 -10.420 -3.660 1.00 34.11 N ATOM 655 CA ARG A 42 0.476 -9.707 -4.926 1.00 60.33 C ATOM 656 C ARG A 42 -0.501 -8.522 -5.009 1.00 33.15 C ATOM 657 O ARG A 42 -0.062 -7.382 -5.172 1.00 35.33 O ATOM 658 CB ARG A 42 0.300 -10.650 -6.147 1.00 53.42 C ATOM 659 CG ARG A 42 0.452 -9.930 -7.510 1.00 21.41 C ATOM 660 CD ARG A 42 1.871 -9.327 -7.725 1.00 73.24 C ATOM 661 NE ARG A 42 1.830 -8.078 -8.501 1.00 12.23 N ATOM 662 CZ ARG A 42 2.120 -7.932 -9.805 1.00 32.21 C ATOM 663 NH1 ARG A 42 2.470 -8.968 -10.564 1.00 31.25 N ATOM 664 NH2 ARG A 42 2.049 -6.727 -10.354 1.00 74.21 N ATOM 0 H ARG A 42 -0.121 -11.348 -3.760 1.00 34.11 H new ATOM 0 HA ARG A 42 1.498 -9.329 -4.954 1.00 60.33 H new ATOM 0 HB2 ARG A 42 1.035 -11.453 -6.085 1.00 53.42 H new ATOM 0 HB3 ARG A 42 -0.685 -11.115 -6.098 1.00 53.42 H new ATOM 0 HG2 ARG A 42 0.238 -10.635 -8.313 1.00 21.41 H new ATOM 0 HG3 ARG A 42 -0.289 -9.134 -7.579 1.00 21.41 H new ATOM 0 HD2 ARG A 42 2.334 -9.137 -6.757 1.00 73.24 H new ATOM 0 HD3 ARG A 42 2.499 -10.053 -8.241 1.00 73.24 H new ATOM 0 HE ARG A 42 1.553 -7.236 -7.997 1.00 12.23 H new ATOM 0 HH11 ARG A 42 2.523 -9.902 -10.158 1.00 31.25 H new ATOM 0 HH12 ARG A 42 2.685 -8.827 -11.551 1.00 31.25 H new ATOM 0 HH21 ARG A 42 1.777 -5.924 -9.787 1.00 74.21 H new ATOM 0 HH22 ARG A 42 2.267 -6.603 -11.343 1.00 74.21 H new ATOM 678 N GLU A 43 -1.818 -8.804 -4.857 1.00 54.44 N ATOM 679 CA GLU A 43 -2.866 -7.763 -4.867 1.00 13.12 C ATOM 680 C GLU A 43 -2.662 -6.794 -3.692 1.00 23.00 C ATOM 681 O GLU A 43 -2.959 -5.603 -3.803 1.00 13.33 O ATOM 682 CB GLU A 43 -4.299 -8.363 -4.793 1.00 73.44 C ATOM 683 CG GLU A 43 -4.690 -9.322 -5.948 1.00 75.43 C ATOM 684 CD GLU A 43 -4.227 -10.772 -5.732 1.00 25.33 C ATOM 685 OE1 GLU A 43 -3.095 -11.123 -6.125 1.00 0.15 O ATOM 686 OE2 GLU A 43 -4.999 -11.563 -5.148 1.00 23.41 O ATOM 0 H GLU A 43 -2.177 -9.750 -4.726 1.00 54.44 H new ATOM 0 HA GLU A 43 -2.774 -7.231 -5.814 1.00 13.12 H new ATOM 0 HB2 GLU A 43 -4.399 -8.901 -3.850 1.00 73.44 H new ATOM 0 HB3 GLU A 43 -5.015 -7.542 -4.769 1.00 73.44 H new ATOM 0 HG2 GLU A 43 -5.773 -9.310 -6.067 1.00 75.43 H new ATOM 0 HG3 GLU A 43 -4.263 -8.949 -6.879 1.00 75.43 H new ATOM 693 N ALA A 44 -2.158 -7.350 -2.567 1.00 62.02 N ATOM 694 CA ALA A 44 -1.770 -6.575 -1.380 1.00 22.05 C ATOM 695 C ALA A 44 -0.791 -5.454 -1.745 1.00 41.31 C ATOM 696 O ALA A 44 -1.060 -4.279 -1.468 1.00 60.22 O ATOM 697 CB ALA A 44 -1.149 -7.490 -0.319 1.00 3.14 C ATOM 0 H ALA A 44 -2.011 -8.354 -2.463 1.00 62.02 H new ATOM 0 HA ALA A 44 -2.672 -6.121 -0.971 1.00 22.05 H new ATOM 0 HB1 ALA A 44 -0.868 -6.898 0.552 1.00 3.14 H new ATOM 0 HB2 ALA A 44 -1.874 -8.249 -0.024 1.00 3.14 H new ATOM 0 HB3 ALA A 44 -0.263 -7.974 -0.730 1.00 3.14 H new ATOM 703 N ALA A 45 0.311 -5.843 -2.415 1.00 1.15 N ATOM 704 CA ALA A 45 1.381 -4.926 -2.826 1.00 70.31 C ATOM 705 C ALA A 45 0.859 -3.853 -3.796 1.00 75.31 C ATOM 706 O ALA A 45 1.233 -2.678 -3.676 1.00 41.10 O ATOM 707 CB ALA A 45 2.531 -5.718 -3.462 1.00 12.13 C ATOM 0 H ALA A 45 0.481 -6.811 -2.686 1.00 1.15 H new ATOM 0 HA ALA A 45 1.751 -4.412 -1.939 1.00 70.31 H new ATOM 0 HB1 ALA A 45 3.322 -5.032 -3.765 1.00 12.13 H new ATOM 0 HB2 ALA A 45 2.926 -6.430 -2.738 1.00 12.13 H new ATOM 0 HB3 ALA A 45 2.163 -6.256 -4.336 1.00 12.13 H new ATOM 713 N GLU A 46 -0.017 -4.276 -4.743 1.00 5.14 N ATOM 714 CA GLU A 46 -0.633 -3.369 -5.736 1.00 42.13 C ATOM 715 C GLU A 46 -1.421 -2.253 -5.036 1.00 20.32 C ATOM 716 O GLU A 46 -1.281 -1.078 -5.371 1.00 52.45 O ATOM 717 CB GLU A 46 -1.588 -4.136 -6.692 1.00 65.05 C ATOM 718 CG GLU A 46 -0.952 -5.312 -7.457 1.00 74.00 C ATOM 719 CD GLU A 46 0.310 -4.929 -8.250 1.00 13.33 C ATOM 720 OE1 GLU A 46 0.187 -4.324 -9.341 1.00 32.05 O ATOM 721 OE2 GLU A 46 1.435 -5.237 -7.801 1.00 41.32 O ATOM 0 H GLU A 46 -0.312 -5.248 -4.837 1.00 5.14 H new ATOM 0 HA GLU A 46 0.179 -2.936 -6.320 1.00 42.13 H new ATOM 0 HB2 GLU A 46 -2.429 -4.515 -6.111 1.00 65.05 H new ATOM 0 HB3 GLU A 46 -1.993 -3.430 -7.417 1.00 65.05 H new ATOM 0 HG2 GLU A 46 -0.699 -6.100 -6.748 1.00 74.00 H new ATOM 0 HG3 GLU A 46 -1.689 -5.727 -8.144 1.00 74.00 H new ATOM 728 N TYR A 47 -2.231 -2.650 -4.042 1.00 35.25 N ATOM 729 CA TYR A 47 -3.102 -1.734 -3.299 1.00 41.01 C ATOM 730 C TYR A 47 -2.309 -0.807 -2.381 1.00 71.22 C ATOM 731 O TYR A 47 -2.729 0.323 -2.163 1.00 23.11 O ATOM 732 CB TYR A 47 -4.143 -2.517 -2.480 1.00 41.14 C ATOM 733 CG TYR A 47 -5.173 -3.284 -3.317 1.00 62.24 C ATOM 734 CD1 TYR A 47 -5.599 -2.824 -4.569 1.00 55.15 C ATOM 735 CD2 TYR A 47 -5.743 -4.452 -2.835 1.00 22.35 C ATOM 736 CE1 TYR A 47 -6.555 -3.511 -5.294 1.00 30.52 C ATOM 737 CE2 TYR A 47 -6.694 -5.132 -3.553 1.00 14.24 C ATOM 738 CZ TYR A 47 -7.102 -4.667 -4.776 1.00 12.30 C ATOM 739 OH TYR A 47 -8.063 -5.359 -5.487 1.00 10.33 O ATOM 0 H TYR A 47 -2.298 -3.619 -3.732 1.00 35.25 H new ATOM 0 HA TYR A 47 -3.615 -1.116 -4.035 1.00 41.01 H new ATOM 0 HB2 TYR A 47 -3.621 -3.224 -1.835 1.00 41.14 H new ATOM 0 HB3 TYR A 47 -4.671 -1.821 -1.828 1.00 41.14 H new ATOM 0 HD1 TYR A 47 -5.174 -1.918 -4.975 1.00 55.15 H new ATOM 0 HD2 TYR A 47 -5.432 -4.835 -1.874 1.00 22.35 H new ATOM 0 HE1 TYR A 47 -6.872 -3.145 -6.260 1.00 30.52 H new ATOM 0 HE2 TYR A 47 -7.123 -6.038 -3.152 1.00 14.24 H new ATOM 0 HH TYR A 47 -8.340 -6.150 -4.979 1.00 10.33 H new ATOM 749 N PHE A 48 -1.178 -1.298 -1.843 1.00 14.53 N ATOM 750 CA PHE A 48 -0.272 -0.477 -1.019 1.00 10.13 C ATOM 751 C PHE A 48 0.382 0.619 -1.872 1.00 64.22 C ATOM 752 O PHE A 48 0.648 1.715 -1.380 1.00 41.22 O ATOM 753 CB PHE A 48 0.825 -1.343 -0.339 1.00 32.22 C ATOM 754 CG PHE A 48 0.329 -2.295 0.744 1.00 3.35 C ATOM 755 CD1 PHE A 48 -0.679 -1.913 1.617 1.00 34.23 C ATOM 756 CD2 PHE A 48 0.890 -3.562 0.908 1.00 73.43 C ATOM 757 CE1 PHE A 48 -1.111 -2.756 2.613 1.00 74.40 C ATOM 758 CE2 PHE A 48 0.449 -4.409 1.906 1.00 63.30 C ATOM 759 CZ PHE A 48 -0.550 -4.005 2.757 1.00 21.50 C ATOM 0 H PHE A 48 -0.869 -2.262 -1.965 1.00 14.53 H new ATOM 0 HA PHE A 48 -0.871 -0.014 -0.235 1.00 10.13 H new ATOM 0 HB2 PHE A 48 1.332 -1.927 -1.108 1.00 32.22 H new ATOM 0 HB3 PHE A 48 1.569 -0.678 0.099 1.00 32.22 H new ATOM 0 HD1 PHE A 48 -1.131 -0.938 1.512 1.00 34.23 H new ATOM 0 HD2 PHE A 48 1.680 -3.885 0.246 1.00 73.43 H new ATOM 0 HE1 PHE A 48 -1.894 -2.437 3.285 1.00 74.40 H new ATOM 0 HE2 PHE A 48 0.890 -5.389 2.017 1.00 63.30 H new ATOM 0 HZ PHE A 48 -0.895 -4.666 3.538 1.00 21.50 H new ATOM 769 N PHE A 49 0.631 0.297 -3.158 1.00 2.33 N ATOM 770 CA PHE A 49 1.230 1.230 -4.119 1.00 14.11 C ATOM 771 C PHE A 49 0.220 2.305 -4.545 1.00 22.11 C ATOM 772 O PHE A 49 0.525 3.496 -4.501 1.00 3.23 O ATOM 773 CB PHE A 49 1.747 0.466 -5.359 1.00 22.42 C ATOM 774 CG PHE A 49 2.440 1.358 -6.387 1.00 35.31 C ATOM 775 CD1 PHE A 49 3.562 2.095 -6.024 1.00 51.44 C ATOM 776 CD2 PHE A 49 1.987 1.461 -7.707 1.00 45.41 C ATOM 777 CE1 PHE A 49 4.201 2.900 -6.931 1.00 65.51 C ATOM 778 CE2 PHE A 49 2.636 2.280 -8.617 1.00 20.23 C ATOM 779 CZ PHE A 49 3.749 2.996 -8.226 1.00 25.11 C ATOM 0 H PHE A 49 0.420 -0.619 -3.554 1.00 2.33 H new ATOM 0 HA PHE A 49 2.070 1.724 -3.631 1.00 14.11 H new ATOM 0 HB2 PHE A 49 2.444 -0.307 -5.034 1.00 22.42 H new ATOM 0 HB3 PHE A 49 0.909 -0.041 -5.838 1.00 22.42 H new ATOM 0 HD1 PHE A 49 3.935 2.032 -5.013 1.00 51.44 H new ATOM 0 HD2 PHE A 49 1.122 0.896 -8.020 1.00 45.41 H new ATOM 0 HE1 PHE A 49 5.069 3.465 -6.625 1.00 65.51 H new ATOM 0 HE2 PHE A 49 2.271 2.358 -9.631 1.00 20.23 H new ATOM 0 HZ PHE A 49 4.263 3.629 -8.934 1.00 25.11 H new ATOM 789 N ARG A 50 -0.980 1.859 -4.959 1.00 40.33 N ATOM 790 CA ARG A 50 -2.060 2.751 -5.421 1.00 3.14 C ATOM 791 C ARG A 50 -2.539 3.649 -4.269 1.00 43.34 C ATOM 792 O ARG A 50 -2.878 4.814 -4.484 1.00 12.44 O ATOM 793 CB ARG A 50 -3.235 1.922 -5.995 1.00 10.45 C ATOM 794 CG ARG A 50 -2.854 1.036 -7.199 1.00 11.11 C ATOM 795 CD ARG A 50 -4.037 0.212 -7.730 1.00 34.04 C ATOM 796 NE ARG A 50 -5.092 1.045 -8.332 1.00 64.21 N ATOM 797 CZ ARG A 50 -6.082 0.583 -9.123 1.00 61.11 C ATOM 798 NH1 ARG A 50 -6.168 -0.719 -9.432 1.00 41.44 N ATOM 799 NH2 ARG A 50 -6.975 1.431 -9.613 1.00 74.53 N ATOM 0 H ARG A 50 -1.229 0.870 -4.983 1.00 40.33 H new ATOM 0 HA ARG A 50 -1.672 3.389 -6.215 1.00 3.14 H new ATOM 0 HB2 ARG A 50 -3.638 1.288 -5.205 1.00 10.45 H new ATOM 0 HB3 ARG A 50 -4.032 2.602 -6.296 1.00 10.45 H new ATOM 0 HG2 ARG A 50 -2.467 1.666 -8.000 1.00 11.11 H new ATOM 0 HG3 ARG A 50 -2.049 0.361 -6.907 1.00 11.11 H new ATOM 0 HD2 ARG A 50 -3.674 -0.498 -8.473 1.00 34.04 H new ATOM 0 HD3 ARG A 50 -4.463 -0.371 -6.913 1.00 34.04 H new ATOM 0 HE ARG A 50 -5.072 2.046 -8.136 1.00 64.21 H new ATOM 0 HH11 ARG A 50 -5.478 -1.376 -9.067 1.00 41.44 H new ATOM 0 HH12 ARG A 50 -6.923 -1.052 -10.032 1.00 41.44 H new ATOM 0 HH21 ARG A 50 -6.910 2.424 -9.391 1.00 74.53 H new ATOM 0 HH22 ARG A 50 -7.727 1.090 -10.212 1.00 74.53 H new ATOM 813 N ALA A 51 -2.520 3.086 -3.043 1.00 15.24 N ATOM 814 CA ALA A 51 -2.790 3.834 -1.811 1.00 11.40 C ATOM 815 C ALA A 51 -1.711 4.893 -1.602 1.00 55.01 C ATOM 816 O ALA A 51 -2.031 6.045 -1.325 1.00 52.43 O ATOM 817 CB ALA A 51 -2.853 2.894 -0.602 1.00 1.23 C ATOM 0 H ALA A 51 -2.316 2.099 -2.886 1.00 15.24 H new ATOM 0 HA ALA A 51 -3.759 4.324 -1.909 1.00 11.40 H new ATOM 0 HB1 ALA A 51 -3.054 3.473 0.299 1.00 1.23 H new ATOM 0 HB2 ALA A 51 -3.649 2.164 -0.750 1.00 1.23 H new ATOM 0 HB3 ALA A 51 -1.900 2.375 -0.494 1.00 1.23 H new ATOM 823 N ALA A 52 -0.431 4.481 -1.771 1.00 64.34 N ATOM 824 CA ALA A 52 0.738 5.360 -1.582 1.00 64.15 C ATOM 825 C ALA A 52 0.721 6.551 -2.559 1.00 54.14 C ATOM 826 O ALA A 52 1.191 7.627 -2.208 1.00 33.45 O ATOM 827 CB ALA A 52 2.045 4.569 -1.719 1.00 53.00 C ATOM 0 H ALA A 52 -0.185 3.529 -2.042 1.00 64.34 H new ATOM 0 HA ALA A 52 0.681 5.762 -0.571 1.00 64.15 H new ATOM 0 HB1 ALA A 52 2.893 5.239 -1.576 1.00 53.00 H new ATOM 0 HB2 ALA A 52 2.074 3.781 -0.966 1.00 53.00 H new ATOM 0 HB3 ALA A 52 2.098 4.124 -2.713 1.00 53.00 H new ATOM 833 N ILE A 53 0.174 6.340 -3.778 1.00 4.33 N ATOM 834 CA ILE A 53 -0.013 7.412 -4.779 1.00 33.44 C ATOM 835 C ILE A 53 -1.025 8.457 -4.250 1.00 53.23 C ATOM 836 O ILE A 53 -0.780 9.664 -4.331 1.00 2.22 O ATOM 837 CB ILE A 53 -0.497 6.837 -6.172 1.00 62.52 C ATOM 838 CG1 ILE A 53 0.553 5.841 -6.764 1.00 74.12 C ATOM 839 CG2 ILE A 53 -0.793 7.975 -7.183 1.00 74.33 C ATOM 840 CD1 ILE A 53 0.119 5.126 -8.039 1.00 41.32 C ATOM 0 H ILE A 53 -0.149 5.425 -4.093 1.00 4.33 H new ATOM 0 HA ILE A 53 0.953 7.891 -4.940 1.00 33.44 H new ATOM 0 HB ILE A 53 -1.425 6.294 -5.994 1.00 62.52 H new ATOM 0 HG12 ILE A 53 1.474 6.387 -6.968 1.00 74.12 H new ATOM 0 HG13 ILE A 53 0.787 5.092 -6.008 1.00 74.12 H new ATOM 0 HG21 ILE A 53 -1.123 7.545 -8.129 1.00 74.33 H new ATOM 0 HG22 ILE A 53 -1.576 8.621 -6.785 1.00 74.33 H new ATOM 0 HG23 ILE A 53 0.112 8.561 -7.347 1.00 74.33 H new ATOM 0 HD11 ILE A 53 0.914 4.458 -8.370 1.00 41.32 H new ATOM 0 HD12 ILE A 53 -0.783 4.546 -7.842 1.00 41.32 H new ATOM 0 HD13 ILE A 53 -0.085 5.861 -8.817 1.00 41.32 H new ATOM 852 N VAL A 54 -2.139 7.964 -3.674 1.00 3.04 N ATOM 853 CA VAL A 54 -3.200 8.814 -3.101 1.00 1.05 C ATOM 854 C VAL A 54 -2.654 9.637 -1.911 1.00 10.23 C ATOM 855 O VAL A 54 -2.851 10.855 -1.859 1.00 5.21 O ATOM 856 CB VAL A 54 -4.446 7.961 -2.653 1.00 34.05 C ATOM 857 CG1 VAL A 54 -5.551 8.848 -2.040 1.00 74.05 C ATOM 858 CG2 VAL A 54 -5.008 7.132 -3.835 1.00 20.11 C ATOM 0 H VAL A 54 -2.328 6.965 -3.593 1.00 3.04 H new ATOM 0 HA VAL A 54 -3.530 9.500 -3.881 1.00 1.05 H new ATOM 0 HB VAL A 54 -4.105 7.271 -1.881 1.00 34.05 H new ATOM 0 HG11 VAL A 54 -6.395 8.225 -1.743 1.00 74.05 H new ATOM 0 HG12 VAL A 54 -5.158 9.367 -1.166 1.00 74.05 H new ATOM 0 HG13 VAL A 54 -5.882 9.579 -2.778 1.00 74.05 H new ATOM 0 HG21 VAL A 54 -5.867 6.553 -3.497 1.00 20.11 H new ATOM 0 HG22 VAL A 54 -5.315 7.803 -4.637 1.00 20.11 H new ATOM 0 HG23 VAL A 54 -4.237 6.456 -4.204 1.00 20.11 H new ATOM 868 N PHE A 55 -1.928 8.954 -0.994 1.00 0.42 N ATOM 869 CA PHE A 55 -1.309 9.586 0.195 1.00 15.43 C ATOM 870 C PHE A 55 -0.279 10.647 -0.221 1.00 13.41 C ATOM 871 O PHE A 55 -0.201 11.709 0.375 1.00 42.30 O ATOM 872 CB PHE A 55 -0.607 8.533 1.090 1.00 31.20 C ATOM 873 CG PHE A 55 -1.526 7.511 1.752 1.00 23.15 C ATOM 874 CD1 PHE A 55 -2.607 7.919 2.531 1.00 21.22 C ATOM 875 CD2 PHE A 55 -1.282 6.140 1.629 1.00 22.41 C ATOM 876 CE1 PHE A 55 -3.404 6.989 3.167 1.00 63.25 C ATOM 877 CE2 PHE A 55 -2.083 5.216 2.258 1.00 3.21 C ATOM 878 CZ PHE A 55 -3.138 5.639 3.024 1.00 50.50 C ATOM 0 H PHE A 55 -1.755 7.951 -1.058 1.00 0.42 H new ATOM 0 HA PHE A 55 -2.113 10.059 0.760 1.00 15.43 H new ATOM 0 HB2 PHE A 55 0.125 7.998 0.485 1.00 31.20 H new ATOM 0 HB3 PHE A 55 -0.054 9.056 1.870 1.00 31.20 H new ATOM 0 HD1 PHE A 55 -2.823 8.972 2.638 1.00 21.22 H new ATOM 0 HD2 PHE A 55 -0.450 5.801 1.030 1.00 22.41 H new ATOM 0 HE1 PHE A 55 -4.234 7.315 3.776 1.00 63.25 H new ATOM 0 HE2 PHE A 55 -1.881 4.161 2.149 1.00 3.21 H new ATOM 0 HZ PHE A 55 -3.766 4.913 3.519 1.00 50.50 H new ATOM 888 N TYR A 56 0.497 10.319 -1.261 1.00 53.43 N ATOM 889 CA TYR A 56 1.548 11.190 -1.809 1.00 44.11 C ATOM 890 C TYR A 56 0.962 12.522 -2.319 1.00 1.44 C ATOM 891 O TYR A 56 1.456 13.600 -1.962 1.00 21.25 O ATOM 892 CB TYR A 56 2.276 10.415 -2.933 1.00 22.12 C ATOM 893 CG TYR A 56 3.315 11.200 -3.725 1.00 4.15 C ATOM 894 CD1 TYR A 56 4.383 11.828 -3.093 1.00 54.33 C ATOM 895 CD2 TYR A 56 3.223 11.313 -5.113 1.00 42.51 C ATOM 896 CE1 TYR A 56 5.323 12.527 -3.815 1.00 71.31 C ATOM 897 CE2 TYR A 56 4.158 12.007 -5.835 1.00 22.11 C ATOM 898 CZ TYR A 56 5.209 12.621 -5.186 1.00 21.22 C ATOM 899 OH TYR A 56 6.149 13.323 -5.913 1.00 73.01 O ATOM 0 H TYR A 56 0.413 9.430 -1.753 1.00 53.43 H new ATOM 0 HA TYR A 56 2.261 11.452 -1.027 1.00 44.11 H new ATOM 0 HB2 TYR A 56 2.766 9.548 -2.490 1.00 22.12 H new ATOM 0 HB3 TYR A 56 1.527 10.037 -3.629 1.00 22.12 H new ATOM 0 HD1 TYR A 56 4.476 11.766 -2.019 1.00 54.33 H new ATOM 0 HD2 TYR A 56 2.398 10.844 -5.628 1.00 42.51 H new ATOM 0 HE1 TYR A 56 6.150 13.002 -3.308 1.00 71.31 H new ATOM 0 HE2 TYR A 56 4.072 12.073 -6.910 1.00 22.11 H new ATOM 0 HH TYR A 56 5.919 13.288 -6.865 1.00 73.01 H new ATOM 909 N LYS A 57 -0.093 12.429 -3.151 1.00 35.14 N ATOM 910 CA LYS A 57 -0.822 13.604 -3.676 1.00 75.42 C ATOM 911 C LYS A 57 -1.468 14.431 -2.552 1.00 41.10 C ATOM 912 O LYS A 57 -1.471 15.665 -2.610 1.00 52.04 O ATOM 913 CB LYS A 57 -1.900 13.178 -4.724 1.00 53.41 C ATOM 914 CG LYS A 57 -1.393 13.087 -6.178 1.00 51.23 C ATOM 915 CD LYS A 57 -0.267 12.046 -6.378 1.00 14.34 C ATOM 916 CE LYS A 57 0.213 11.949 -7.835 1.00 23.20 C ATOM 917 NZ LYS A 57 -0.885 11.557 -8.762 1.00 32.05 N ATOM 0 H LYS A 57 -0.465 11.538 -3.479 1.00 35.14 H new ATOM 0 HA LYS A 57 -0.085 14.236 -4.172 1.00 75.42 H new ATOM 0 HB2 LYS A 57 -2.304 12.208 -4.434 1.00 53.41 H new ATOM 0 HB3 LYS A 57 -2.724 13.891 -4.686 1.00 53.41 H new ATOM 0 HG2 LYS A 57 -2.229 12.835 -6.830 1.00 51.23 H new ATOM 0 HG3 LYS A 57 -1.030 14.067 -6.489 1.00 51.23 H new ATOM 0 HD2 LYS A 57 0.578 12.306 -5.740 1.00 14.34 H new ATOM 0 HD3 LYS A 57 -0.622 11.068 -6.053 1.00 14.34 H new ATOM 0 HE2 LYS A 57 0.623 12.910 -8.146 1.00 23.20 H new ATOM 0 HE3 LYS A 57 1.021 11.221 -7.902 1.00 23.20 H new ATOM 0 HZ1 LYS A 57 -0.492 11.372 -9.707 1.00 32.05 H new ATOM 0 HZ2 LYS A 57 -1.350 10.698 -8.406 1.00 32.05 H new ATOM 0 HZ3 LYS A 57 -1.581 12.328 -8.822 1.00 32.05 H new ATOM 931 N GLU A 58 -2.011 13.747 -1.535 1.00 34.00 N ATOM 932 CA GLU A 58 -2.666 14.412 -0.392 1.00 54.43 C ATOM 933 C GLU A 58 -1.647 14.830 0.684 1.00 51.44 C ATOM 934 O GLU A 58 -2.023 15.462 1.678 1.00 4.10 O ATOM 935 CB GLU A 58 -3.779 13.506 0.206 1.00 31.55 C ATOM 936 CG GLU A 58 -4.887 13.124 -0.802 1.00 23.02 C ATOM 937 CD GLU A 58 -5.696 14.320 -1.348 1.00 3.42 C ATOM 938 OE1 GLU A 58 -5.239 14.981 -2.307 1.00 14.40 O ATOM 939 OE2 GLU A 58 -6.801 14.599 -0.837 1.00 70.31 O ATOM 0 H GLU A 58 -2.011 12.729 -1.478 1.00 34.00 H new ATOM 0 HA GLU A 58 -3.133 15.325 -0.762 1.00 54.43 H new ATOM 0 HB2 GLU A 58 -3.323 12.594 0.592 1.00 31.55 H new ATOM 0 HB3 GLU A 58 -4.234 14.018 1.054 1.00 31.55 H new ATOM 0 HG2 GLU A 58 -4.432 12.597 -1.640 1.00 23.02 H new ATOM 0 HG3 GLU A 58 -5.573 12.427 -0.321 1.00 23.02 H new ATOM 946 N HIS A 59 -0.362 14.457 0.466 1.00 72.31 N ATOM 947 CA HIS A 59 0.774 14.779 1.359 1.00 44.23 C ATOM 948 C HIS A 59 0.565 14.214 2.775 1.00 45.53 C ATOM 949 O HIS A 59 1.100 14.732 3.760 1.00 24.51 O ATOM 950 CB HIS A 59 1.063 16.303 1.349 1.00 42.14 C ATOM 951 CG HIS A 59 1.526 16.786 -0.003 1.00 73.34 C ATOM 952 ND1 HIS A 59 2.830 16.686 -0.423 1.00 52.34 N ATOM 953 CD2 HIS A 59 0.846 17.330 -1.039 1.00 40.13 C ATOM 954 CE1 HIS A 59 2.935 17.139 -1.653 1.00 3.04 C ATOM 955 NE2 HIS A 59 1.747 17.540 -2.048 1.00 43.15 N ATOM 0 H HIS A 59 -0.083 13.914 -0.351 1.00 72.31 H new ATOM 0 HA HIS A 59 1.665 14.284 0.973 1.00 44.23 H new ATOM 0 HB2 HIS A 59 0.162 16.844 1.637 1.00 42.14 H new ATOM 0 HB3 HIS A 59 1.824 16.532 2.095 1.00 42.14 H new ATOM 0 HD1 HIS A 59 3.600 16.316 0.135 1.00 52.34 H new ATOM 0 HD2 HIS A 59 -0.210 17.556 -1.065 1.00 40.13 H new ATOM 0 HE1 HIS A 59 3.842 17.175 -2.238 1.00 3.04 H new ATOM 964 N ASP A 60 -0.178 13.096 2.826 1.00 1.14 N ATOM 965 CA ASP A 60 -0.463 12.335 4.038 1.00 10.51 C ATOM 966 C ASP A 60 0.766 11.459 4.345 1.00 11.22 C ATOM 967 O ASP A 60 0.870 10.319 3.886 1.00 31.40 O ATOM 968 CB ASP A 60 -1.754 11.487 3.812 1.00 12.14 C ATOM 969 CG ASP A 60 -2.310 10.826 5.088 1.00 32.43 C ATOM 970 OD1 ASP A 60 -1.715 9.871 5.595 1.00 12.45 O ATOM 971 OD2 ASP A 60 -3.362 11.264 5.591 1.00 61.11 O ATOM 0 H ASP A 60 -0.607 12.690 1.994 1.00 1.14 H new ATOM 0 HA ASP A 60 -0.646 12.986 4.893 1.00 10.51 H new ATOM 0 HB2 ASP A 60 -2.525 12.127 3.383 1.00 12.14 H new ATOM 0 HB3 ASP A 60 -1.540 10.710 3.078 1.00 12.14 H new ATOM 976 N THR A 61 1.731 12.063 5.067 1.00 51.51 N ATOM 977 CA THR A 61 3.027 11.447 5.401 1.00 74.22 C ATOM 978 C THR A 61 2.881 10.152 6.213 1.00 11.35 C ATOM 979 O THR A 61 3.673 9.231 6.020 1.00 42.24 O ATOM 980 CB THR A 61 3.945 12.454 6.187 1.00 13.25 C ATOM 981 OG1 THR A 61 3.134 13.329 7.000 1.00 51.33 O ATOM 982 CG2 THR A 61 4.850 13.276 5.252 1.00 62.14 C ATOM 0 H THR A 61 1.628 13.007 5.439 1.00 51.51 H new ATOM 0 HA THR A 61 3.492 11.192 4.449 1.00 74.22 H new ATOM 0 HB THR A 61 4.601 11.865 6.828 1.00 13.25 H new ATOM 0 HG1 THR A 61 3.713 13.952 7.488 1.00 51.33 H new ATOM 0 HG21 THR A 61 5.463 13.955 5.844 1.00 62.14 H new ATOM 0 HG22 THR A 61 5.495 12.604 4.687 1.00 62.14 H new ATOM 0 HG23 THR A 61 4.233 13.852 4.562 1.00 62.14 H new ATOM 990 N ASP A 62 1.888 10.108 7.129 1.00 72.41 N ATOM 991 CA ASP A 62 1.652 8.932 7.982 1.00 0.24 C ATOM 992 C ASP A 62 1.327 7.714 7.118 1.00 10.55 C ATOM 993 O ASP A 62 2.031 6.711 7.170 1.00 53.23 O ATOM 994 CB ASP A 62 0.507 9.188 9.000 1.00 3.02 C ATOM 995 CG ASP A 62 0.152 7.931 9.837 1.00 52.54 C ATOM 996 OD1 ASP A 62 0.802 7.687 10.876 1.00 72.12 O ATOM 997 OD2 ASP A 62 -0.774 7.178 9.451 1.00 52.42 O ATOM 0 H ASP A 62 1.238 10.877 7.293 1.00 72.41 H new ATOM 0 HA ASP A 62 2.564 8.739 8.547 1.00 0.24 H new ATOM 0 HB2 ASP A 62 0.799 9.995 9.672 1.00 3.02 H new ATOM 0 HB3 ASP A 62 -0.381 9.524 8.464 1.00 3.02 H new ATOM 1002 N GLY A 63 0.275 7.855 6.305 1.00 11.02 N ATOM 1003 CA GLY A 63 -0.205 6.792 5.443 1.00 52.53 C ATOM 1004 C GLY A 63 0.783 6.412 4.353 1.00 70.20 C ATOM 1005 O GLY A 63 0.848 5.246 3.984 1.00 50.54 O ATOM 0 H GLY A 63 -0.264 8.718 6.233 1.00 11.02 H new ATOM 0 HA2 GLY A 63 -0.423 5.913 6.049 1.00 52.53 H new ATOM 0 HA3 GLY A 63 -1.143 7.102 4.982 1.00 52.53 H new ATOM 1009 N LEU A 64 1.539 7.399 3.830 1.00 13.11 N ATOM 1010 CA LEU A 64 2.569 7.167 2.788 1.00 22.10 C ATOM 1011 C LEU A 64 3.734 6.340 3.361 1.00 72.20 C ATOM 1012 O LEU A 64 4.244 5.436 2.705 1.00 21.20 O ATOM 1013 CB LEU A 64 3.091 8.525 2.241 1.00 31.33 C ATOM 1014 CG LEU A 64 4.195 8.462 1.128 1.00 14.00 C ATOM 1015 CD1 LEU A 64 3.690 7.784 -0.155 1.00 32.05 C ATOM 1016 CD2 LEU A 64 4.747 9.860 0.819 1.00 65.55 C ATOM 0 H LEU A 64 1.456 8.375 4.114 1.00 13.11 H new ATOM 0 HA LEU A 64 2.117 6.608 1.968 1.00 22.10 H new ATOM 0 HB2 LEU A 64 2.241 9.081 1.845 1.00 31.33 H new ATOM 0 HB3 LEU A 64 3.486 9.100 3.079 1.00 31.33 H new ATOM 0 HG LEU A 64 5.005 7.848 1.522 1.00 14.00 H new ATOM 0 HD11 LEU A 64 4.490 7.764 -0.895 1.00 32.05 H new ATOM 0 HD12 LEU A 64 3.379 6.764 0.071 1.00 32.05 H new ATOM 0 HD13 LEU A 64 2.842 8.342 -0.552 1.00 32.05 H new ATOM 0 HD21 LEU A 64 5.510 9.787 0.044 1.00 65.55 H new ATOM 0 HD22 LEU A 64 3.938 10.502 0.471 1.00 65.55 H new ATOM 0 HD23 LEU A 64 5.186 10.286 1.721 1.00 65.55 H new ATOM 1028 N ARG A 65 4.119 6.671 4.605 1.00 62.01 N ATOM 1029 CA ARG A 65 5.179 5.966 5.364 1.00 50.34 C ATOM 1030 C ARG A 65 4.714 4.553 5.735 1.00 73.32 C ATOM 1031 O ARG A 65 5.487 3.596 5.708 1.00 53.41 O ATOM 1032 CB ARG A 65 5.491 6.787 6.641 1.00 74.24 C ATOM 1033 CG ARG A 65 6.578 6.214 7.576 1.00 73.13 C ATOM 1034 CD ARG A 65 6.854 7.149 8.767 1.00 53.31 C ATOM 1035 NE ARG A 65 7.468 8.422 8.353 1.00 21.13 N ATOM 1036 CZ ARG A 65 7.548 9.525 9.120 1.00 1.41 C ATOM 1037 NH1 ARG A 65 7.058 9.539 10.360 1.00 61.12 N ATOM 1038 NH2 ARG A 65 8.126 10.616 8.639 1.00 41.41 N ATOM 0 H ARG A 65 3.701 7.444 5.123 1.00 62.01 H new ATOM 0 HA ARG A 65 6.078 5.874 4.755 1.00 50.34 H new ATOM 0 HB2 ARG A 65 5.795 7.789 6.338 1.00 74.24 H new ATOM 0 HB3 ARG A 65 4.569 6.893 7.213 1.00 74.24 H new ATOM 0 HG2 ARG A 65 6.263 5.238 7.945 1.00 73.13 H new ATOM 0 HG3 ARG A 65 7.499 6.060 7.013 1.00 73.13 H new ATOM 0 HD2 ARG A 65 5.919 7.353 9.289 1.00 53.31 H new ATOM 0 HD3 ARG A 65 7.512 6.645 9.476 1.00 53.31 H new ATOM 0 HE ARG A 65 7.863 8.471 7.414 1.00 21.13 H new ATOM 0 HH11 ARG A 65 6.613 8.704 10.742 1.00 61.12 H new ATOM 0 HH12 ARG A 65 7.128 10.384 10.926 1.00 61.12 H new ATOM 0 HH21 ARG A 65 8.507 10.616 7.693 1.00 41.41 H new ATOM 0 HH22 ARG A 65 8.190 11.455 9.215 1.00 41.41 H new ATOM 1052 N ARG A 66 3.420 4.465 6.051 1.00 31.13 N ATOM 1053 CA ARG A 66 2.749 3.238 6.494 1.00 44.24 C ATOM 1054 C ARG A 66 2.552 2.279 5.305 1.00 23.54 C ATOM 1055 O ARG A 66 2.690 1.057 5.446 1.00 74.11 O ATOM 1056 CB ARG A 66 1.402 3.651 7.136 1.00 22.32 C ATOM 1057 CG ARG A 66 0.636 2.548 7.869 1.00 74.10 C ATOM 1058 CD ARG A 66 -0.621 3.094 8.571 1.00 63.31 C ATOM 1059 NE ARG A 66 -0.289 4.109 9.590 1.00 64.33 N ATOM 1060 CZ ARG A 66 -0.002 3.850 10.877 1.00 71.24 C ATOM 1061 NH1 ARG A 66 -0.007 2.600 11.345 1.00 45.12 N ATOM 1062 NH2 ARG A 66 0.292 4.850 11.692 1.00 21.21 N ATOM 0 H ARG A 66 2.791 5.267 6.005 1.00 31.13 H new ATOM 0 HA ARG A 66 3.351 2.703 7.228 1.00 44.24 H new ATOM 0 HB2 ARG A 66 1.592 4.461 7.840 1.00 22.32 H new ATOM 0 HB3 ARG A 66 0.759 4.053 6.353 1.00 22.32 H new ATOM 0 HG2 ARG A 66 0.348 1.772 7.159 1.00 74.10 H new ATOM 0 HG3 ARG A 66 1.289 2.080 8.605 1.00 74.10 H new ATOM 0 HD2 ARG A 66 -1.290 3.530 7.829 1.00 63.31 H new ATOM 0 HD3 ARG A 66 -1.160 2.271 9.041 1.00 63.31 H new ATOM 0 HE ARG A 66 -0.276 5.085 9.294 1.00 64.33 H new ATOM 0 HH11 ARG A 66 -0.231 1.823 10.723 1.00 45.12 H new ATOM 0 HH12 ARG A 66 0.213 2.421 12.325 1.00 45.12 H new ATOM 0 HH21 ARG A 66 0.299 5.808 11.342 1.00 21.21 H new ATOM 0 HH22 ARG A 66 0.511 4.663 12.670 1.00 21.21 H new ATOM 1076 N ALA A 67 2.271 2.871 4.130 1.00 23.03 N ATOM 1077 CA ALA A 67 2.065 2.137 2.874 1.00 2.05 C ATOM 1078 C ALA A 67 3.401 1.652 2.323 1.00 12.20 C ATOM 1079 O ALA A 67 3.483 0.526 1.864 1.00 15.22 O ATOM 1080 CB ALA A 67 1.340 3.009 1.846 1.00 41.34 C ATOM 0 H ALA A 67 2.180 3.882 4.028 1.00 23.03 H new ATOM 0 HA ALA A 67 1.438 1.270 3.080 1.00 2.05 H new ATOM 0 HB1 ALA A 67 1.199 2.444 0.925 1.00 41.34 H new ATOM 0 HB2 ALA A 67 0.369 3.307 2.242 1.00 41.34 H new ATOM 0 HB3 ALA A 67 1.935 3.898 1.639 1.00 41.34 H new ATOM 1086 N ALA A 68 4.435 2.522 2.408 1.00 45.22 N ATOM 1087 CA ALA A 68 5.809 2.215 1.957 1.00 11.31 C ATOM 1088 C ALA A 68 6.397 1.034 2.737 1.00 2.45 C ATOM 1089 O ALA A 68 6.988 0.109 2.156 1.00 30.50 O ATOM 1090 CB ALA A 68 6.709 3.452 2.132 1.00 22.20 C ATOM 0 H ALA A 68 4.337 3.461 2.794 1.00 45.22 H new ATOM 0 HA ALA A 68 5.765 1.942 0.903 1.00 11.31 H new ATOM 0 HB1 ALA A 68 7.719 3.217 1.797 1.00 22.20 H new ATOM 0 HB2 ALA A 68 6.313 4.277 1.539 1.00 22.20 H new ATOM 0 HB3 ALA A 68 6.733 3.739 3.183 1.00 22.20 H new ATOM 1096 N LYS A 69 6.205 1.102 4.061 1.00 42.12 N ATOM 1097 CA LYS A 69 6.691 0.103 5.014 1.00 21.35 C ATOM 1098 C LYS A 69 6.064 -1.273 4.732 1.00 62.40 C ATOM 1099 O LYS A 69 6.775 -2.271 4.583 1.00 25.11 O ATOM 1100 CB LYS A 69 6.351 0.569 6.440 1.00 75.32 C ATOM 1101 CG LYS A 69 6.936 -0.306 7.566 1.00 73.23 C ATOM 1102 CD LYS A 69 6.338 0.054 8.940 1.00 0.31 C ATOM 1103 CE LYS A 69 4.815 -0.168 8.982 1.00 42.13 C ATOM 1104 NZ LYS A 69 4.239 0.230 10.297 1.00 22.41 N ATOM 0 H LYS A 69 5.698 1.868 4.505 1.00 42.12 H new ATOM 0 HA LYS A 69 7.771 0.001 4.910 1.00 21.35 H new ATOM 0 HB2 LYS A 69 6.711 1.590 6.569 1.00 75.32 H new ATOM 0 HB3 LYS A 69 5.267 0.598 6.548 1.00 75.32 H new ATOM 0 HG2 LYS A 69 6.741 -1.356 7.349 1.00 73.23 H new ATOM 0 HG3 LYS A 69 8.019 -0.182 7.597 1.00 73.23 H new ATOM 0 HD2 LYS A 69 6.814 -0.550 9.712 1.00 0.31 H new ATOM 0 HD3 LYS A 69 6.559 1.096 9.170 1.00 0.31 H new ATOM 0 HE2 LYS A 69 4.341 0.408 8.187 1.00 42.13 H new ATOM 0 HE3 LYS A 69 4.594 -1.218 8.790 1.00 42.13 H new ATOM 0 HZ1 LYS A 69 3.212 0.067 10.290 1.00 22.41 H new ATOM 0 HZ2 LYS A 69 4.674 -0.337 11.052 1.00 22.41 H new ATOM 0 HZ3 LYS A 69 4.428 1.238 10.468 1.00 22.41 H new ATOM 1118 N SER A 70 4.731 -1.289 4.622 1.00 24.03 N ATOM 1119 CA SER A 70 3.952 -2.505 4.358 1.00 53.31 C ATOM 1120 C SER A 70 4.168 -3.018 2.919 1.00 54.30 C ATOM 1121 O SER A 70 4.049 -4.222 2.675 1.00 34.23 O ATOM 1122 CB SER A 70 2.460 -2.227 4.625 1.00 72.24 C ATOM 1123 OG SER A 70 2.265 -1.799 5.968 1.00 73.23 O ATOM 0 H SER A 70 4.157 -0.451 4.714 1.00 24.03 H new ATOM 0 HA SER A 70 4.297 -3.290 5.031 1.00 53.31 H new ATOM 0 HB2 SER A 70 2.098 -1.463 3.937 1.00 72.24 H new ATOM 0 HB3 SER A 70 1.877 -3.128 4.436 1.00 72.24 H new ATOM 0 HG SER A 70 2.448 -0.839 6.035 1.00 73.23 H new ATOM 1129 N LEU A 71 4.482 -2.091 1.982 1.00 72.23 N ATOM 1130 CA LEU A 71 4.648 -2.402 0.546 1.00 11.24 C ATOM 1131 C LEU A 71 5.784 -3.420 0.358 1.00 42.24 C ATOM 1132 O LEU A 71 5.556 -4.517 -0.156 1.00 40.12 O ATOM 1133 CB LEU A 71 4.940 -1.093 -0.272 1.00 13.13 C ATOM 1134 CG LEU A 71 4.180 -0.927 -1.631 1.00 35.31 C ATOM 1135 CD1 LEU A 71 4.369 0.484 -2.205 1.00 24.52 C ATOM 1136 CD2 LEU A 71 4.580 -1.999 -2.659 1.00 51.20 C ATOM 0 H LEU A 71 4.627 -1.106 2.204 1.00 72.23 H new ATOM 0 HA LEU A 71 3.721 -2.837 0.172 1.00 11.24 H new ATOM 0 HB2 LEU A 71 4.699 -0.237 0.359 1.00 13.13 H new ATOM 0 HB3 LEU A 71 6.010 -1.050 -0.474 1.00 13.13 H new ATOM 0 HG LEU A 71 3.120 -1.069 -1.418 1.00 35.31 H new ATOM 0 HD11 LEU A 71 3.830 0.568 -3.148 1.00 24.52 H new ATOM 0 HD12 LEU A 71 3.982 1.219 -1.499 1.00 24.52 H new ATOM 0 HD13 LEU A 71 5.430 0.668 -2.376 1.00 24.52 H new ATOM 0 HD21 LEU A 71 4.026 -1.841 -3.584 1.00 51.20 H new ATOM 0 HD22 LEU A 71 5.649 -1.929 -2.860 1.00 51.20 H new ATOM 0 HD23 LEU A 71 4.349 -2.988 -2.262 1.00 51.20 H new ATOM 1148 N LYS A 72 6.980 -3.059 0.871 1.00 43.24 N ATOM 1149 CA LYS A 72 8.217 -3.845 0.677 1.00 21.20 C ATOM 1150 C LYS A 72 8.120 -5.246 1.323 1.00 22.31 C ATOM 1151 O LYS A 72 8.695 -6.217 0.825 1.00 14.22 O ATOM 1152 CB LYS A 72 9.440 -3.065 1.236 1.00 74.23 C ATOM 1153 CG LYS A 72 9.436 -2.857 2.766 1.00 23.10 C ATOM 1154 CD LYS A 72 10.690 -2.122 3.290 1.00 44.04 C ATOM 1155 CE LYS A 72 10.785 -2.132 4.828 1.00 51.53 C ATOM 1156 NZ LYS A 72 9.591 -1.537 5.482 1.00 73.43 N ATOM 0 H LYS A 72 7.115 -2.216 1.430 1.00 43.24 H new ATOM 0 HA LYS A 72 8.350 -3.995 -0.394 1.00 21.20 H new ATOM 0 HB2 LYS A 72 10.350 -3.598 0.959 1.00 74.23 H new ATOM 0 HB3 LYS A 72 9.482 -2.089 0.752 1.00 74.23 H new ATOM 0 HG2 LYS A 72 8.548 -2.289 3.045 1.00 23.10 H new ATOM 0 HG3 LYS A 72 9.361 -3.827 3.257 1.00 23.10 H new ATOM 0 HD2 LYS A 72 11.581 -2.589 2.872 1.00 44.04 H new ATOM 0 HD3 LYS A 72 10.676 -1.091 2.938 1.00 44.04 H new ATOM 0 HE2 LYS A 72 10.909 -3.158 5.173 1.00 51.53 H new ATOM 0 HE3 LYS A 72 11.674 -1.582 5.136 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 9.611 -1.749 6.500 1.00 73.43 H new ATOM 0 HZ2 LYS A 72 9.597 -0.506 5.343 1.00 73.43 H new ATOM 0 HZ3 LYS A 72 8.729 -1.938 5.061 1.00 73.43 H new ATOM 1170 N GLU A 73 7.356 -5.327 2.423 1.00 1.51 N ATOM 1171 CA GLU A 73 7.208 -6.553 3.227 1.00 2.30 C ATOM 1172 C GLU A 73 6.075 -7.451 2.688 1.00 30.20 C ATOM 1173 O GLU A 73 6.075 -8.660 2.926 1.00 70.14 O ATOM 1174 CB GLU A 73 7.010 -6.155 4.714 1.00 1.54 C ATOM 1175 CG GLU A 73 8.248 -5.424 5.301 1.00 71.02 C ATOM 1176 CD GLU A 73 8.066 -4.898 6.733 1.00 2.20 C ATOM 1177 OE1 GLU A 73 8.078 -5.715 7.686 1.00 22.05 O ATOM 1178 OE2 GLU A 73 7.945 -3.663 6.919 1.00 52.14 O ATOM 0 H GLU A 73 6.819 -4.538 2.783 1.00 1.51 H new ATOM 0 HA GLU A 73 8.113 -7.155 3.152 1.00 2.30 H new ATOM 0 HB2 GLU A 73 6.136 -5.510 4.801 1.00 1.54 H new ATOM 0 HB3 GLU A 73 6.807 -7.049 5.303 1.00 1.54 H new ATOM 0 HG2 GLU A 73 9.097 -6.107 5.285 1.00 71.02 H new ATOM 0 HG3 GLU A 73 8.500 -4.587 4.651 1.00 71.02 H new ATOM 1185 N ALA A 74 5.125 -6.860 1.941 1.00 61.31 N ATOM 1186 CA ALA A 74 4.102 -7.631 1.195 1.00 60.35 C ATOM 1187 C ALA A 74 4.731 -8.269 -0.053 1.00 54.41 C ATOM 1188 O ALA A 74 4.322 -9.347 -0.482 1.00 73.34 O ATOM 1189 CB ALA A 74 2.924 -6.733 0.803 1.00 73.31 C ATOM 0 H ALA A 74 5.041 -5.849 1.835 1.00 61.31 H new ATOM 0 HA ALA A 74 3.723 -8.422 1.842 1.00 60.35 H new ATOM 0 HB1 ALA A 74 2.185 -7.320 0.257 1.00 73.31 H new ATOM 0 HB2 ALA A 74 2.466 -6.320 1.702 1.00 73.31 H new ATOM 0 HB3 ALA A 74 3.281 -5.920 0.171 1.00 73.31 H new ATOM 1195 N ILE A 75 5.739 -7.579 -0.609 1.00 15.23 N ATOM 1196 CA ILE A 75 6.486 -8.020 -1.796 1.00 71.03 C ATOM 1197 C ILE A 75 7.306 -9.285 -1.516 1.00 10.42 C ATOM 1198 O ILE A 75 7.344 -10.212 -2.338 1.00 32.51 O ATOM 1199 CB ILE A 75 7.400 -6.860 -2.310 1.00 12.54 C ATOM 1200 CG1 ILE A 75 6.515 -5.709 -2.872 1.00 62.15 C ATOM 1201 CG2 ILE A 75 8.426 -7.347 -3.362 1.00 44.41 C ATOM 1202 CD1 ILE A 75 7.222 -4.383 -2.994 1.00 71.14 C ATOM 0 H ILE A 75 6.063 -6.685 -0.240 1.00 15.23 H new ATOM 0 HA ILE A 75 5.767 -8.275 -2.574 1.00 71.03 H new ATOM 0 HB ILE A 75 7.980 -6.485 -1.467 1.00 12.54 H new ATOM 0 HG12 ILE A 75 6.142 -6.000 -3.854 1.00 62.15 H new ATOM 0 HG13 ILE A 75 5.646 -5.586 -2.225 1.00 62.15 H new ATOM 0 HG21 ILE A 75 9.038 -6.507 -3.689 1.00 44.41 H new ATOM 0 HG22 ILE A 75 9.065 -8.111 -2.920 1.00 44.41 H new ATOM 0 HG23 ILE A 75 7.898 -7.767 -4.218 1.00 44.41 H new ATOM 0 HD11 ILE A 75 6.533 -3.639 -3.393 1.00 71.14 H new ATOM 0 HD12 ILE A 75 7.571 -4.065 -2.012 1.00 71.14 H new ATOM 0 HD13 ILE A 75 8.074 -4.485 -3.666 1.00 71.14 H new ATOM 1214 N THR A 76 7.950 -9.324 -0.343 1.00 2.10 N ATOM 1215 CA THR A 76 8.727 -10.491 0.097 1.00 34.42 C ATOM 1216 C THR A 76 7.788 -11.677 0.433 1.00 52.42 C ATOM 1217 O THR A 76 8.230 -12.824 0.521 1.00 24.13 O ATOM 1218 CB THR A 76 9.617 -10.121 1.325 1.00 41.42 C ATOM 1219 OG1 THR A 76 8.786 -9.693 2.415 1.00 40.43 O ATOM 1220 CG2 THR A 76 10.622 -9.001 0.979 1.00 74.35 C ATOM 0 H THR A 76 7.948 -8.553 0.325 1.00 2.10 H new ATOM 0 HA THR A 76 9.381 -10.799 -0.719 1.00 34.42 H new ATOM 0 HB THR A 76 10.180 -11.010 1.609 1.00 41.42 H new ATOM 0 HG1 THR A 76 7.882 -9.510 2.085 1.00 40.43 H new ATOM 0 HG21 THR A 76 11.225 -8.769 1.857 1.00 74.35 H new ATOM 0 HG22 THR A 76 11.272 -9.333 0.170 1.00 74.35 H new ATOM 0 HG23 THR A 76 10.079 -8.109 0.666 1.00 74.35 H new ATOM 1228 N ALA A 77 6.487 -11.372 0.608 1.00 21.41 N ATOM 1229 CA ALA A 77 5.440 -12.358 0.911 1.00 52.33 C ATOM 1230 C ALA A 77 4.629 -12.758 -0.350 1.00 22.33 C ATOM 1231 O ALA A 77 3.703 -13.565 -0.249 1.00 30.34 O ATOM 1232 CB ALA A 77 4.514 -11.783 2.001 1.00 64.54 C ATOM 0 H ALA A 77 6.132 -10.418 0.541 1.00 21.41 H new ATOM 0 HA ALA A 77 5.916 -13.269 1.272 1.00 52.33 H new ATOM 0 HB1 ALA A 77 3.733 -12.507 2.234 1.00 64.54 H new ATOM 0 HB2 ALA A 77 5.095 -11.575 2.899 1.00 64.54 H new ATOM 0 HB3 ALA A 77 4.058 -10.860 1.642 1.00 64.54 H new ATOM 1238 N ILE A 78 4.966 -12.176 -1.526 1.00 34.02 N ATOM 1239 CA ILE A 78 4.291 -12.499 -2.813 1.00 2.43 C ATOM 1240 C ILE A 78 4.561 -13.974 -3.216 1.00 60.20 C ATOM 1241 O ILE A 78 5.714 -14.419 -3.170 1.00 63.41 O ATOM 1242 CB ILE A 78 4.727 -11.494 -3.967 1.00 53.41 C ATOM 1243 CG1 ILE A 78 4.143 -10.070 -3.708 1.00 32.04 C ATOM 1244 CG2 ILE A 78 4.321 -11.988 -5.378 1.00 0.22 C ATOM 1245 CD1 ILE A 78 4.525 -9.004 -4.733 1.00 73.32 C ATOM 0 H ILE A 78 5.704 -11.477 -1.613 1.00 34.02 H new ATOM 0 HA ILE A 78 3.217 -12.378 -2.670 1.00 2.43 H new ATOM 0 HB ILE A 78 5.816 -11.448 -3.944 1.00 53.41 H new ATOM 0 HG12 ILE A 78 3.056 -10.143 -3.674 1.00 32.04 H new ATOM 0 HG13 ILE A 78 4.471 -9.736 -2.724 1.00 32.04 H new ATOM 0 HG21 ILE A 78 4.644 -11.262 -6.124 1.00 0.22 H new ATOM 0 HG22 ILE A 78 4.795 -12.949 -5.577 1.00 0.22 H new ATOM 0 HG23 ILE A 78 3.238 -12.100 -5.426 1.00 0.22 H new ATOM 0 HD11 ILE A 78 4.067 -8.054 -4.458 1.00 73.32 H new ATOM 0 HD12 ILE A 78 5.609 -8.891 -4.754 1.00 73.32 H new ATOM 0 HD13 ILE A 78 4.172 -9.305 -5.720 1.00 73.32 H new ATOM 1369 N GLU A 86 8.553 -5.738 -11.329 1.00 2.04 N ATOM 1370 CA GLU A 86 7.363 -4.870 -11.411 1.00 41.31 C ATOM 1371 C GLU A 86 6.877 -4.486 -9.992 1.00 45.14 C ATOM 1372 O GLU A 86 6.799 -3.297 -9.660 1.00 60.23 O ATOM 1373 CB GLU A 86 6.243 -5.554 -12.256 1.00 11.22 C ATOM 1374 CG GLU A 86 5.760 -6.920 -11.733 1.00 23.14 C ATOM 1375 CD GLU A 86 4.734 -7.611 -12.644 1.00 64.42 C ATOM 1376 OE1 GLU A 86 3.613 -7.091 -12.788 1.00 14.43 O ATOM 1377 OE2 GLU A 86 5.028 -8.691 -13.196 1.00 10.24 O ATOM 0 HA GLU A 86 7.630 -3.945 -11.923 1.00 41.31 H new ATOM 0 HB2 GLU A 86 5.387 -4.881 -12.307 1.00 11.22 H new ATOM 0 HB3 GLU A 86 6.608 -5.683 -13.275 1.00 11.22 H new ATOM 0 HG2 GLU A 86 6.622 -7.576 -11.611 1.00 23.14 H new ATOM 0 HG3 GLU A 86 5.320 -6.784 -10.745 1.00 23.14 H new ATOM 1384 N ALA A 87 6.607 -5.499 -9.139 1.00 51.40 N ATOM 1385 CA ALA A 87 5.968 -5.293 -7.829 1.00 45.14 C ATOM 1386 C ALA A 87 6.953 -4.717 -6.800 1.00 14.12 C ATOM 1387 O ALA A 87 6.597 -3.833 -6.024 1.00 21.52 O ATOM 1388 CB ALA A 87 5.343 -6.607 -7.330 1.00 4.14 C ATOM 0 H ALA A 87 6.826 -6.474 -9.341 1.00 51.40 H new ATOM 0 HA ALA A 87 5.173 -4.557 -7.953 1.00 45.14 H new ATOM 0 HB1 ALA A 87 4.874 -6.441 -6.360 1.00 4.14 H new ATOM 0 HB2 ALA A 87 4.592 -6.947 -8.043 1.00 4.14 H new ATOM 0 HB3 ALA A 87 6.120 -7.365 -7.232 1.00 4.14 H new ATOM 1394 N LYS A 88 8.206 -5.202 -6.835 1.00 71.13 N ATOM 1395 CA LYS A 88 9.247 -4.829 -5.864 1.00 3.05 C ATOM 1396 C LYS A 88 9.712 -3.373 -6.067 1.00 61.54 C ATOM 1397 O LYS A 88 10.047 -2.675 -5.099 1.00 54.44 O ATOM 1398 CB LYS A 88 10.417 -5.851 -5.938 1.00 21.13 C ATOM 1399 CG LYS A 88 11.593 -5.624 -4.949 1.00 31.10 C ATOM 1400 CD LYS A 88 12.765 -4.847 -5.583 1.00 33.24 C ATOM 1401 CE LYS A 88 13.944 -4.655 -4.636 1.00 21.35 C ATOM 1402 NZ LYS A 88 15.046 -3.916 -5.295 1.00 71.22 N ATOM 0 H LYS A 88 8.526 -5.866 -7.540 1.00 71.13 H new ATOM 0 HA LYS A 88 8.831 -4.869 -4.857 1.00 3.05 H new ATOM 0 HB2 LYS A 88 10.012 -6.848 -5.765 1.00 21.13 H new ATOM 0 HB3 LYS A 88 10.816 -5.841 -6.952 1.00 21.13 H new ATOM 0 HG2 LYS A 88 11.230 -5.078 -4.079 1.00 31.10 H new ATOM 0 HG3 LYS A 88 11.953 -6.589 -4.592 1.00 31.10 H new ATOM 0 HD2 LYS A 88 13.105 -5.378 -6.472 1.00 33.24 H new ATOM 0 HD3 LYS A 88 12.409 -3.871 -5.911 1.00 33.24 H new ATOM 0 HE2 LYS A 88 13.617 -4.111 -3.750 1.00 21.35 H new ATOM 0 HE3 LYS A 88 14.305 -5.627 -4.299 1.00 21.35 H new ATOM 0 HZ1 LYS A 88 15.924 -4.470 -5.229 1.00 71.22 H new ATOM 0 HZ2 LYS A 88 14.809 -3.759 -6.296 1.00 71.22 H new ATOM 0 HZ3 LYS A 88 15.180 -2.999 -4.823 1.00 71.22 H new ATOM 1416 N GLU A 89 9.692 -2.932 -7.328 1.00 53.11 N ATOM 1417 CA GLU A 89 10.065 -1.561 -7.724 1.00 4.41 C ATOM 1418 C GLU A 89 9.092 -0.511 -7.155 1.00 11.21 C ATOM 1419 O GLU A 89 9.458 0.648 -6.964 1.00 21.22 O ATOM 1420 CB GLU A 89 10.142 -1.476 -9.263 1.00 5.22 C ATOM 1421 CG GLU A 89 11.145 -2.464 -9.888 1.00 15.43 C ATOM 1422 CD GLU A 89 12.596 -2.241 -9.429 1.00 42.30 C ATOM 1423 OE1 GLU A 89 13.015 -2.819 -8.400 1.00 10.33 O ATOM 1424 OE2 GLU A 89 13.332 -1.489 -10.107 1.00 41.31 O ATOM 0 H GLU A 89 9.414 -3.519 -8.115 1.00 53.11 H new ATOM 0 HA GLU A 89 11.044 -1.335 -7.302 1.00 4.41 H new ATOM 0 HB2 GLU A 89 9.152 -1.665 -9.679 1.00 5.22 H new ATOM 0 HB3 GLU A 89 10.419 -0.461 -9.549 1.00 5.22 H new ATOM 0 HG2 GLU A 89 10.845 -3.481 -9.636 1.00 15.43 H new ATOM 0 HG3 GLU A 89 11.099 -2.378 -10.974 1.00 15.43 H new ATOM 1431 N MET A 90 7.838 -0.935 -6.923 1.00 1.33 N ATOM 1432 CA MET A 90 6.794 -0.088 -6.316 1.00 22.54 C ATOM 1433 C MET A 90 7.168 0.341 -4.884 1.00 20.44 C ATOM 1434 O MET A 90 6.817 1.445 -4.453 1.00 31.31 O ATOM 1435 CB MET A 90 5.456 -0.832 -6.293 1.00 3.44 C ATOM 1436 CG MET A 90 4.946 -1.289 -7.659 1.00 52.22 C ATOM 1437 SD MET A 90 3.265 -1.933 -7.570 1.00 50.20 S ATOM 1438 CE MET A 90 3.373 -3.097 -6.207 1.00 32.23 C ATOM 0 H MET A 90 7.518 -1.876 -7.151 1.00 1.33 H new ATOM 0 HA MET A 90 6.706 0.810 -6.928 1.00 22.54 H new ATOM 0 HB2 MET A 90 5.554 -1.705 -5.648 1.00 3.44 H new ATOM 0 HB3 MET A 90 4.705 -0.184 -5.840 1.00 3.44 H new ATOM 0 HG2 MET A 90 4.977 -0.452 -8.356 1.00 52.22 H new ATOM 0 HG3 MET A 90 5.609 -2.059 -8.055 1.00 52.22 H new ATOM 0 HE1 MET A 90 2.635 -3.887 -6.344 1.00 32.23 H new ATOM 0 HE2 MET A 90 4.371 -3.533 -6.179 1.00 32.23 H new ATOM 0 HE3 MET A 90 3.178 -2.578 -5.269 1.00 32.23 H new ATOM 1448 N ALA A 91 7.851 -0.562 -4.153 1.00 63.44 N ATOM 1449 CA ALA A 91 8.389 -0.260 -2.820 1.00 51.22 C ATOM 1450 C ALA A 91 9.425 0.860 -2.920 1.00 10.33 C ATOM 1451 O ALA A 91 9.407 1.790 -2.120 1.00 63.35 O ATOM 1452 CB ALA A 91 9.017 -1.505 -2.197 1.00 23.51 C ATOM 0 H ALA A 91 8.042 -1.512 -4.470 1.00 63.44 H new ATOM 0 HA ALA A 91 7.570 0.067 -2.179 1.00 51.22 H new ATOM 0 HB1 ALA A 91 9.409 -1.260 -1.210 1.00 23.51 H new ATOM 0 HB2 ALA A 91 8.262 -2.285 -2.103 1.00 23.51 H new ATOM 0 HB3 ALA A 91 9.829 -1.860 -2.832 1.00 23.51 H new ATOM 1458 N LYS A 92 10.288 0.762 -3.958 1.00 4.14 N ATOM 1459 CA LYS A 92 11.336 1.757 -4.240 1.00 74.11 C ATOM 1460 C LYS A 92 10.724 3.128 -4.584 1.00 33.20 C ATOM 1461 O LYS A 92 11.277 4.157 -4.213 1.00 25.31 O ATOM 1462 CB LYS A 92 12.260 1.278 -5.392 1.00 21.01 C ATOM 1463 CG LYS A 92 12.967 -0.074 -5.129 1.00 22.14 C ATOM 1464 CD LYS A 92 14.044 -0.430 -6.186 1.00 43.43 C ATOM 1465 CE LYS A 92 15.339 0.405 -6.075 1.00 50.21 C ATOM 1466 NZ LYS A 92 15.160 1.843 -6.418 1.00 41.02 N ATOM 0 H LYS A 92 10.273 -0.012 -4.622 1.00 4.14 H new ATOM 0 HA LYS A 92 11.936 1.867 -3.337 1.00 74.11 H new ATOM 0 HB2 LYS A 92 11.668 1.193 -6.304 1.00 21.01 H new ATOM 0 HB3 LYS A 92 13.018 2.040 -5.574 1.00 21.01 H new ATOM 0 HG2 LYS A 92 13.433 -0.045 -4.144 1.00 22.14 H new ATOM 0 HG3 LYS A 92 12.219 -0.866 -5.104 1.00 22.14 H new ATOM 0 HD2 LYS A 92 14.296 -1.486 -6.090 1.00 43.43 H new ATOM 0 HD3 LYS A 92 13.620 -0.293 -7.181 1.00 43.43 H new ATOM 0 HE2 LYS A 92 15.723 0.329 -5.058 1.00 50.21 H new ATOM 0 HE3 LYS A 92 16.094 -0.024 -6.733 1.00 50.21 H new ATOM 0 HZ1 LYS A 92 16.010 2.192 -6.906 1.00 41.02 H new ATOM 0 HZ2 LYS A 92 14.334 1.951 -7.041 1.00 41.02 H new ATOM 0 HZ3 LYS A 92 15.011 2.392 -5.547 1.00 41.02 H new ATOM 1480 N LYS A 93 9.567 3.119 -5.282 1.00 72.32 N ATOM 1481 CA LYS A 93 8.793 4.344 -5.587 1.00 50.42 C ATOM 1482 C LYS A 93 8.350 5.037 -4.289 1.00 21.23 C ATOM 1483 O LYS A 93 8.562 6.238 -4.107 1.00 51.12 O ATOM 1484 CB LYS A 93 7.535 3.997 -6.422 1.00 11.44 C ATOM 1485 CG LYS A 93 7.796 3.520 -7.865 1.00 12.30 C ATOM 1486 CD LYS A 93 8.220 4.667 -8.807 1.00 55.33 C ATOM 1487 CE LYS A 93 8.387 4.194 -10.254 1.00 54.05 C ATOM 1488 NZ LYS A 93 8.852 5.286 -11.148 1.00 5.40 N ATOM 0 H LYS A 93 9.144 2.266 -5.649 1.00 72.32 H new ATOM 0 HA LYS A 93 9.437 5.013 -6.158 1.00 50.42 H new ATOM 0 HB2 LYS A 93 6.978 3.220 -5.898 1.00 11.44 H new ATOM 0 HB3 LYS A 93 6.894 4.878 -6.461 1.00 11.44 H new ATOM 0 HG2 LYS A 93 8.575 2.757 -7.855 1.00 12.30 H new ATOM 0 HG3 LYS A 93 6.894 3.050 -8.256 1.00 12.30 H new ATOM 0 HD2 LYS A 93 7.474 5.461 -8.770 1.00 55.33 H new ATOM 0 HD3 LYS A 93 9.159 5.095 -8.456 1.00 55.33 H new ATOM 0 HE2 LYS A 93 9.101 3.371 -10.286 1.00 54.05 H new ATOM 0 HE3 LYS A 93 7.437 3.806 -10.620 1.00 54.05 H new ATOM 0 HZ1 LYS A 93 8.952 4.922 -12.117 1.00 5.40 H new ATOM 0 HZ2 LYS A 93 8.159 6.061 -11.139 1.00 5.40 H new ATOM 0 HZ3 LYS A 93 9.771 5.640 -10.815 1.00 5.40 H new ATOM 1502 N ALA A 94 7.752 4.232 -3.396 1.00 31.42 N ATOM 1503 CA ALA A 94 7.221 4.694 -2.108 1.00 34.44 C ATOM 1504 C ALA A 94 8.341 5.206 -1.183 1.00 74.21 C ATOM 1505 O ALA A 94 8.106 6.101 -0.367 1.00 64.02 O ATOM 1506 CB ALA A 94 6.414 3.569 -1.459 1.00 11.43 C ATOM 0 H ALA A 94 7.623 3.232 -3.552 1.00 31.42 H new ATOM 0 HA ALA A 94 6.558 5.542 -2.282 1.00 34.44 H new ATOM 0 HB1 ALA A 94 6.019 3.910 -0.502 1.00 11.43 H new ATOM 0 HB2 ALA A 94 5.589 3.289 -2.114 1.00 11.43 H new ATOM 0 HB3 ALA A 94 7.059 2.705 -1.298 1.00 11.43 H new ATOM 1512 N GLU A 95 9.562 4.636 -1.343 1.00 62.03 N ATOM 1513 CA GLU A 95 10.781 5.135 -0.677 1.00 61.50 C ATOM 1514 C GLU A 95 11.071 6.580 -1.113 1.00 52.40 C ATOM 1515 O GLU A 95 11.239 7.466 -0.276 1.00 4.22 O ATOM 1516 CB GLU A 95 12.015 4.262 -1.036 1.00 73.01 C ATOM 1517 CG GLU A 95 11.982 2.809 -0.534 1.00 24.52 C ATOM 1518 CD GLU A 95 11.935 2.675 0.995 1.00 11.02 C ATOM 1519 OE1 GLU A 95 12.799 3.275 1.680 1.00 34.14 O ATOM 1520 OE2 GLU A 95 11.078 1.931 1.520 1.00 41.11 O ATOM 0 H GLU A 95 9.724 3.822 -1.935 1.00 62.03 H new ATOM 0 HA GLU A 95 10.606 5.090 0.398 1.00 61.50 H new ATOM 0 HB2 GLU A 95 12.122 4.248 -2.121 1.00 73.01 H new ATOM 0 HB3 GLU A 95 12.906 4.744 -0.634 1.00 73.01 H new ATOM 0 HG2 GLU A 95 11.112 2.309 -0.959 1.00 24.52 H new ATOM 0 HG3 GLU A 95 12.863 2.287 -0.907 1.00 24.52 H new ATOM 1527 N GLU A 96 11.095 6.789 -2.445 1.00 74.21 N ATOM 1528 CA GLU A 96 11.481 8.074 -3.057 1.00 51.53 C ATOM 1529 C GLU A 96 10.510 9.195 -2.674 1.00 13.32 C ATOM 1530 O GLU A 96 10.937 10.315 -2.361 1.00 14.45 O ATOM 1531 CB GLU A 96 11.557 7.943 -4.594 1.00 23.12 C ATOM 1532 CG GLU A 96 12.543 6.871 -5.097 1.00 24.41 C ATOM 1533 CD GLU A 96 13.945 6.943 -4.450 1.00 12.35 C ATOM 1534 OE1 GLU A 96 14.731 7.839 -4.814 1.00 5.14 O ATOM 1535 OE2 GLU A 96 14.274 6.087 -3.597 1.00 71.21 O ATOM 0 H GLU A 96 10.847 6.071 -3.126 1.00 74.21 H new ATOM 0 HA GLU A 96 12.467 8.335 -2.672 1.00 51.53 H new ATOM 0 HB2 GLU A 96 10.563 7.711 -4.976 1.00 23.12 H new ATOM 0 HB3 GLU A 96 11.843 8.907 -5.014 1.00 23.12 H new ATOM 0 HG2 GLU A 96 12.118 5.885 -4.907 1.00 24.41 H new ATOM 0 HG3 GLU A 96 12.649 6.970 -6.177 1.00 24.41 H new ATOM 1542 N TRP A 97 9.207 8.860 -2.682 1.00 71.32 N ATOM 1543 CA TRP A 97 8.133 9.792 -2.331 1.00 72.25 C ATOM 1544 C TRP A 97 8.263 10.218 -0.862 1.00 64.32 C ATOM 1545 O TRP A 97 8.219 11.409 -0.553 1.00 21.41 O ATOM 1546 CB TRP A 97 6.748 9.140 -2.578 1.00 53.21 C ATOM 1547 CG TRP A 97 6.491 8.745 -4.017 1.00 43.24 C ATOM 1548 CD1 TRP A 97 7.086 9.254 -5.141 1.00 5.52 C ATOM 1549 CD2 TRP A 97 5.550 7.765 -4.482 1.00 54.33 C ATOM 1550 NE1 TRP A 97 6.586 8.639 -6.256 1.00 31.31 N ATOM 1551 CE2 TRP A 97 5.647 7.731 -5.884 1.00 1.22 C ATOM 1552 CE3 TRP A 97 4.638 6.914 -3.852 1.00 44.22 C ATOM 1553 CZ2 TRP A 97 4.880 6.884 -6.664 1.00 51.13 C ATOM 1554 CZ3 TRP A 97 3.875 6.071 -4.636 1.00 71.33 C ATOM 1555 CH2 TRP A 97 4.004 6.067 -6.025 1.00 62.25 C ATOM 0 H TRP A 97 8.874 7.930 -2.934 1.00 71.32 H new ATOM 0 HA TRP A 97 8.218 10.675 -2.964 1.00 72.25 H new ATOM 0 HB2 TRP A 97 6.660 8.254 -1.949 1.00 53.21 H new ATOM 0 HB3 TRP A 97 5.971 9.835 -2.260 1.00 53.21 H new ATOM 0 HD1 TRP A 97 7.840 10.028 -5.146 1.00 5.52 H new ATOM 0 HE1 TRP A 97 6.873 8.832 -7.216 1.00 31.31 H new ATOM 0 HE3 TRP A 97 4.532 6.915 -2.777 1.00 44.22 H new ATOM 0 HZ2 TRP A 97 4.974 6.873 -7.740 1.00 51.13 H new ATOM 0 HZ3 TRP A 97 3.167 5.404 -4.166 1.00 71.33 H new ATOM 0 HH2 TRP A 97 3.390 5.396 -6.608 1.00 62.25 H new ATOM 1566 N LEU A 98 8.486 9.219 0.012 1.00 74.12 N ATOM 1567 CA LEU A 98 8.556 9.408 1.466 1.00 3.20 C ATOM 1568 C LEU A 98 9.736 10.311 1.868 1.00 63.14 C ATOM 1569 O LEU A 98 9.557 11.256 2.637 1.00 24.45 O ATOM 1570 CB LEU A 98 8.660 8.032 2.172 1.00 23.31 C ATOM 1571 CG LEU A 98 8.698 8.059 3.731 1.00 72.10 C ATOM 1572 CD1 LEU A 98 7.461 8.775 4.305 1.00 22.03 C ATOM 1573 CD2 LEU A 98 8.857 6.634 4.307 1.00 23.25 C ATOM 0 H LEU A 98 8.623 8.251 -0.278 1.00 74.12 H new ATOM 0 HA LEU A 98 7.641 9.908 1.785 1.00 3.20 H new ATOM 0 HB2 LEU A 98 7.812 7.422 1.861 1.00 23.31 H new ATOM 0 HB3 LEU A 98 9.560 7.531 1.816 1.00 23.31 H new ATOM 0 HG LEU A 98 9.573 8.632 4.038 1.00 72.10 H new ATOM 0 HD11 LEU A 98 7.515 8.778 5.394 1.00 22.03 H new ATOM 0 HD12 LEU A 98 7.433 9.802 3.940 1.00 22.03 H new ATOM 0 HD13 LEU A 98 6.558 8.252 3.988 1.00 22.03 H new ATOM 0 HD21 LEU A 98 8.881 6.682 5.396 1.00 23.25 H new ATOM 0 HD22 LEU A 98 8.016 6.017 3.989 1.00 23.25 H new ATOM 0 HD23 LEU A 98 9.786 6.196 3.943 1.00 23.25 H new ATOM 1585 N GLN A 99 10.930 10.018 1.324 1.00 44.33 N ATOM 1586 CA GLN A 99 12.170 10.752 1.659 1.00 71.15 C ATOM 1587 C GLN A 99 12.101 12.214 1.178 1.00 32.41 C ATOM 1588 O GLN A 99 12.589 13.124 1.855 1.00 61.21 O ATOM 1589 CB GLN A 99 13.399 10.040 1.043 1.00 54.31 C ATOM 1590 CG GLN A 99 13.625 8.584 1.508 1.00 24.43 C ATOM 1591 CD GLN A 99 14.054 8.423 2.976 1.00 53.13 C ATOM 1592 OE1 GLN A 99 13.698 9.210 3.850 1.00 4.13 O ATOM 1593 NE2 GLN A 99 14.827 7.380 3.259 1.00 62.32 N ATOM 0 H GLN A 99 11.066 9.271 0.643 1.00 44.33 H new ATOM 0 HA GLN A 99 12.273 10.760 2.744 1.00 71.15 H new ATOM 0 HB2 GLN A 99 13.294 10.045 -0.042 1.00 54.31 H new ATOM 0 HB3 GLN A 99 14.290 10.621 1.279 1.00 54.31 H new ATOM 0 HG2 GLN A 99 12.704 8.023 1.352 1.00 24.43 H new ATOM 0 HG3 GLN A 99 14.386 8.131 0.872 1.00 24.43 H new ATOM 0 HE21 GLN A 99 15.111 6.739 2.518 1.00 62.32 H new ATOM 0 HE22 GLN A 99 15.137 7.220 4.218 1.00 62.32 H new ATOM 1602 N ALA A 100 11.466 12.422 0.009 1.00 40.51 N ATOM 1603 CA ALA A 100 11.290 13.758 -0.576 1.00 34.53 C ATOM 1604 C ALA A 100 10.225 14.562 0.202 1.00 3.50 C ATOM 1605 O ALA A 100 10.305 15.793 0.271 1.00 43.31 O ATOM 1606 CB ALA A 100 10.939 13.641 -2.061 1.00 41.33 C ATOM 0 H ALA A 100 11.064 11.671 -0.551 1.00 40.51 H new ATOM 0 HA ALA A 100 12.229 14.305 -0.496 1.00 34.53 H new ATOM 0 HB1 ALA A 100 10.811 14.637 -2.484 1.00 41.33 H new ATOM 0 HB2 ALA A 100 11.743 13.125 -2.585 1.00 41.33 H new ATOM 0 HB3 ALA A 100 10.013 13.078 -2.173 1.00 41.33 H new ATOM 1612 N GLU A 101 9.239 13.846 0.797 1.00 22.53 N ATOM 1613 CA GLU A 101 8.230 14.455 1.696 1.00 45.43 C ATOM 1614 C GLU A 101 8.895 14.993 2.976 1.00 13.33 C ATOM 1615 O GLU A 101 8.417 15.965 3.563 1.00 32.21 O ATOM 1616 CB GLU A 101 7.112 13.436 2.073 1.00 62.53 C ATOM 1617 CG GLU A 101 6.060 13.176 0.978 1.00 52.24 C ATOM 1618 CD GLU A 101 5.194 14.408 0.637 1.00 23.41 C ATOM 1619 OE1 GLU A 101 4.376 14.826 1.483 1.00 45.14 O ATOM 1620 OE2 GLU A 101 5.329 14.971 -0.475 1.00 41.22 O ATOM 0 H GLU A 101 9.122 12.841 0.669 1.00 22.53 H new ATOM 0 HA GLU A 101 7.772 15.283 1.155 1.00 45.43 H new ATOM 0 HB2 GLU A 101 7.581 12.488 2.335 1.00 62.53 H new ATOM 0 HB3 GLU A 101 6.601 13.796 2.966 1.00 62.53 H new ATOM 0 HG2 GLU A 101 6.567 12.839 0.074 1.00 52.24 H new ATOM 0 HG3 GLU A 101 5.408 12.364 1.300 1.00 52.24 H new