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 168:sc= -0.015 (180deg=-0.202) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.01 K(o=-2,f=-0.067) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.668 (180deg=0.649) USER MOD Single : A 36 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0.599 (180deg=0.346) USER MOD Single : A 38 MET CE :methyl -177:sc= -0.714 (180deg=-0.739) USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= 0.446 (180deg=-0.487) 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 HD1:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -136:sc= -1.72! (180deg=-3.9!) USER MOD Single : A 70 SER OG : rot -109:sc= 0.972 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -140:sc= -2.25! (180deg=-3.66!) USER MOD Single : A 92 LYS NZ :NH3+ -114:sc= 0.571 (180deg=-0.257) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0532) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.395 8.313 1.278 1.00 63.42 N ATOM 369 CA MET A 24 -10.043 6.936 0.911 1.00 52.44 C ATOM 370 C MET A 24 -8.498 6.760 0.915 1.00 43.25 C ATOM 371 O MET A 24 -7.807 7.369 1.739 1.00 4.30 O ATOM 372 CB MET A 24 -10.694 6.613 -0.461 1.00 11.14 C ATOM 373 CG MET A 24 -12.218 6.428 -0.423 1.00 24.12 C ATOM 374 SD MET A 24 -13.117 7.885 0.154 1.00 40.44 S ATOM 375 CE MET A 24 -12.754 9.075 -1.129 1.00 21.41 C ATOM 0 HA MET A 24 -10.429 6.224 1.640 1.00 52.44 H new ATOM 0 HB2 MET A 24 -10.457 7.417 -1.158 1.00 11.14 H new ATOM 0 HB3 MET A 24 -10.241 5.704 -0.857 1.00 11.14 H new ATOM 0 HG2 MET A 24 -12.568 6.169 -1.422 1.00 24.12 H new ATOM 0 HG3 MET A 24 -12.456 5.585 0.226 1.00 24.12 H new ATOM 0 HE1 MET A 24 -13.407 9.941 -1.018 1.00 21.41 H new ATOM 0 HE2 MET A 24 -11.714 9.392 -1.048 1.00 21.41 H new ATOM 0 HE3 MET A 24 -12.919 8.619 -2.105 1.00 21.41 H new ATOM 385 N GLY A 25 -7.959 5.903 0.017 1.00 22.44 N ATOM 386 CA GLY A 25 -6.554 5.494 0.056 1.00 21.22 C ATOM 387 C GLY A 25 -6.360 4.370 1.048 1.00 2.00 C ATOM 388 O GLY A 25 -6.045 3.237 0.665 1.00 12.41 O ATOM 0 H GLY A 25 -8.490 5.483 -0.746 1.00 22.44 H new ATOM 0 HA2 GLY A 25 -6.235 5.172 -0.935 1.00 21.22 H new ATOM 0 HA3 GLY A 25 -5.929 6.343 0.332 1.00 21.22 H new ATOM 392 N ARG A 26 -6.608 4.705 2.327 1.00 44.11 N ATOM 393 CA ARG A 26 -6.628 3.750 3.450 1.00 15.34 C ATOM 394 C ARG A 26 -7.601 2.585 3.208 1.00 70.13 C ATOM 395 O ARG A 26 -7.413 1.509 3.767 1.00 64.22 O ATOM 396 CB ARG A 26 -6.986 4.482 4.770 1.00 54.51 C ATOM 397 CG ARG A 26 -8.327 5.260 4.753 1.00 13.11 C ATOM 398 CD ARG A 26 -8.662 5.886 6.116 1.00 45.13 C ATOM 399 NE ARG A 26 -9.855 6.748 6.066 1.00 73.22 N ATOM 400 CZ ARG A 26 -10.364 7.419 7.110 1.00 12.44 C ATOM 401 NH1 ARG A 26 -9.801 7.348 8.316 1.00 21.03 N ATOM 402 NH2 ARG A 26 -11.423 8.191 6.940 1.00 72.40 N ATOM 0 H ARG A 26 -6.804 5.664 2.614 1.00 44.11 H new ATOM 0 HA ARG A 26 -5.628 3.324 3.530 1.00 15.34 H new ATOM 0 HB2 ARG A 26 -7.021 3.748 5.575 1.00 54.51 H new ATOM 0 HB3 ARG A 26 -6.183 5.180 5.009 1.00 54.51 H new ATOM 0 HG2 ARG A 26 -8.278 6.045 3.998 1.00 13.11 H new ATOM 0 HG3 ARG A 26 -9.131 4.585 4.459 1.00 13.11 H new ATOM 0 HD2 ARG A 26 -8.822 5.093 6.846 1.00 45.13 H new ATOM 0 HD3 ARG A 26 -7.810 6.471 6.462 1.00 45.13 H new ATOM 0 HE ARG A 26 -10.331 6.842 5.169 1.00 73.22 H new ATOM 0 HH11 ARG A 26 -8.968 6.776 8.457 1.00 21.03 H new ATOM 0 HH12 ARG A 26 -10.203 7.866 9.098 1.00 21.03 H new ATOM 0 HH21 ARG A 26 -11.850 8.275 6.018 1.00 72.40 H new ATOM 0 HH22 ARG A 26 -11.813 8.703 7.731 1.00 72.40 H new ATOM 416 N ALA A 27 -8.640 2.819 2.376 1.00 2.43 N ATOM 417 CA ALA A 27 -9.578 1.775 1.946 1.00 53.42 C ATOM 418 C ALA A 27 -8.828 0.657 1.194 1.00 34.12 C ATOM 419 O ALA A 27 -8.966 -0.518 1.546 1.00 44.41 O ATOM 420 CB ALA A 27 -10.694 2.386 1.082 1.00 45.13 C ATOM 0 H ALA A 27 -8.846 3.739 1.987 1.00 2.43 H new ATOM 0 HA ALA A 27 -10.043 1.329 2.825 1.00 53.42 H new ATOM 0 HB1 ALA A 27 -11.383 1.601 0.769 1.00 45.13 H new ATOM 0 HB2 ALA A 27 -11.235 3.134 1.662 1.00 45.13 H new ATOM 0 HB3 ALA A 27 -10.256 2.856 0.201 1.00 45.13 H new ATOM 426 N LEU A 28 -7.995 1.039 0.188 1.00 10.02 N ATOM 427 CA LEU A 28 -7.169 0.068 -0.574 1.00 22.34 C ATOM 428 C LEU A 28 -6.075 -0.547 0.311 1.00 12.11 C ATOM 429 O LEU A 28 -5.751 -1.717 0.158 1.00 61.12 O ATOM 430 CB LEU A 28 -6.523 0.696 -1.836 1.00 75.04 C ATOM 431 CG LEU A 28 -7.491 1.052 -2.990 1.00 11.04 C ATOM 432 CD1 LEU A 28 -6.754 1.709 -4.166 1.00 44.15 C ATOM 433 CD2 LEU A 28 -8.325 -0.159 -3.455 1.00 33.03 C ATOM 0 H LEU A 28 -7.880 2.007 -0.111 1.00 10.02 H new ATOM 0 HA LEU A 28 -7.851 -0.716 -0.902 1.00 22.34 H new ATOM 0 HB2 LEU A 28 -5.997 1.603 -1.537 1.00 75.04 H new ATOM 0 HB3 LEU A 28 -5.773 0.004 -2.218 1.00 75.04 H new ATOM 0 HG LEU A 28 -8.194 1.783 -2.590 1.00 11.04 H new ATOM 0 HD11 LEU A 28 -7.467 1.944 -4.956 1.00 44.15 H new ATOM 0 HD12 LEU A 28 -6.272 2.626 -3.827 1.00 44.15 H new ATOM 0 HD13 LEU A 28 -5.999 1.024 -4.551 1.00 44.15 H new ATOM 0 HD21 LEU A 28 -8.987 0.145 -4.266 1.00 33.03 H new ATOM 0 HD22 LEU A 28 -7.658 -0.946 -3.807 1.00 33.03 H new ATOM 0 HD23 LEU A 28 -8.920 -0.533 -2.622 1.00 33.03 H new ATOM 445 N TYR A 29 -5.510 0.263 1.238 1.00 11.12 N ATOM 446 CA TYR A 29 -4.502 -0.211 2.216 1.00 75.45 C ATOM 447 C TYR A 29 -5.062 -1.385 3.044 1.00 21.25 C ATOM 448 O TYR A 29 -4.387 -2.400 3.233 1.00 72.23 O ATOM 449 CB TYR A 29 -4.048 0.955 3.153 1.00 22.12 C ATOM 450 CG TYR A 29 -3.115 0.523 4.307 1.00 13.20 C ATOM 451 CD1 TYR A 29 -1.756 0.288 4.088 1.00 63.52 C ATOM 452 CD2 TYR A 29 -3.599 0.329 5.608 1.00 23.25 C ATOM 453 CE1 TYR A 29 -0.921 -0.119 5.112 1.00 22.14 C ATOM 454 CE2 TYR A 29 -2.766 -0.080 6.631 1.00 74.53 C ATOM 455 CZ TYR A 29 -1.430 -0.304 6.377 1.00 71.30 C ATOM 456 OH TYR A 29 -0.603 -0.725 7.399 1.00 13.23 O ATOM 0 H TYR A 29 -5.737 1.253 1.329 1.00 11.12 H new ATOM 0 HA TYR A 29 -3.630 -0.563 1.664 1.00 75.45 H new ATOM 0 HB2 TYR A 29 -3.538 1.709 2.553 1.00 22.12 H new ATOM 0 HB3 TYR A 29 -4.933 1.430 3.576 1.00 22.12 H new ATOM 0 HD1 TYR A 29 -1.349 0.427 3.098 1.00 63.52 H new ATOM 0 HD2 TYR A 29 -4.645 0.503 5.815 1.00 23.25 H new ATOM 0 HE1 TYR A 29 0.128 -0.291 4.920 1.00 22.14 H new ATOM 0 HE2 TYR A 29 -3.160 -0.224 7.626 1.00 74.53 H new ATOM 0 HH TYR A 29 -1.121 -0.804 8.227 1.00 13.23 H new ATOM 466 N ASN A 30 -6.321 -1.230 3.501 1.00 35.52 N ATOM 467 CA ASN A 30 -7.017 -2.242 4.316 1.00 21.24 C ATOM 468 C ASN A 30 -7.333 -3.496 3.484 1.00 23.41 C ATOM 469 O ASN A 30 -7.272 -4.612 4.005 1.00 73.33 O ATOM 470 CB ASN A 30 -8.304 -1.646 4.939 1.00 63.43 C ATOM 471 CG ASN A 30 -8.069 -0.665 6.097 1.00 33.15 C ATOM 472 OD1 ASN A 30 -8.882 -0.593 7.022 1.00 21.11 O ATOM 473 ND2 ASN A 30 -6.995 0.115 6.063 1.00 25.24 N ATOM 0 H ASN A 30 -6.882 -0.399 3.315 1.00 35.52 H new ATOM 0 HA ASN A 30 -6.355 -2.542 5.128 1.00 21.24 H new ATOM 0 HB2 ASN A 30 -8.865 -1.134 4.157 1.00 63.43 H new ATOM 0 HB3 ASN A 30 -8.929 -2.464 5.297 1.00 63.43 H new ATOM 0 HD21 ASN A 30 -6.830 0.789 6.811 1.00 25.24 H new ATOM 0 HD22 ASN A 30 -6.335 0.040 5.289 1.00 25.24 H new ATOM 480 N ILE A 31 -7.657 -3.295 2.193 1.00 51.30 N ATOM 481 CA ILE A 31 -7.842 -4.395 1.228 1.00 33.01 C ATOM 482 C ILE A 31 -6.524 -5.169 1.060 1.00 63.14 C ATOM 483 O ILE A 31 -6.533 -6.399 0.961 1.00 62.11 O ATOM 484 CB ILE A 31 -8.334 -3.858 -0.169 1.00 34.20 C ATOM 485 CG1 ILE A 31 -9.742 -3.223 -0.033 1.00 44.42 C ATOM 486 CG2 ILE A 31 -8.324 -4.959 -1.254 1.00 3.45 C ATOM 487 CD1 ILE A 31 -10.271 -2.554 -1.285 1.00 41.35 C ATOM 0 H ILE A 31 -7.798 -2.368 1.790 1.00 51.30 H new ATOM 0 HA ILE A 31 -8.609 -5.063 1.619 1.00 33.01 H new ATOM 0 HB ILE A 31 -7.631 -3.091 -0.494 1.00 34.20 H new ATOM 0 HG12 ILE A 31 -10.445 -3.999 0.270 1.00 44.42 H new ATOM 0 HG13 ILE A 31 -9.715 -2.486 0.770 1.00 44.42 H new ATOM 0 HG21 ILE A 31 -8.671 -4.542 -2.199 1.00 3.45 H new ATOM 0 HG22 ILE A 31 -7.310 -5.340 -1.376 1.00 3.45 H new ATOM 0 HG23 ILE A 31 -8.984 -5.773 -0.953 1.00 3.45 H new ATOM 0 HD11 ILE A 31 -11.260 -2.142 -1.087 1.00 41.35 H new ATOM 0 HD12 ILE A 31 -9.596 -1.751 -1.581 1.00 41.35 H new ATOM 0 HD13 ILE A 31 -10.338 -3.287 -2.089 1.00 41.35 H new ATOM 499 N GLY A 32 -5.405 -4.416 1.046 1.00 15.04 N ATOM 500 CA GLY A 32 -4.073 -4.990 0.959 1.00 40.41 C ATOM 501 C GLY A 32 -3.740 -5.850 2.169 1.00 12.10 C ATOM 502 O GLY A 32 -3.097 -6.889 2.030 1.00 51.12 O ATOM 0 H GLY A 32 -5.413 -3.397 1.095 1.00 15.04 H new ATOM 0 HA2 GLY A 32 -3.997 -5.593 0.054 1.00 40.41 H new ATOM 0 HA3 GLY A 32 -3.339 -4.189 0.871 1.00 40.41 H new ATOM 506 N LEU A 33 -4.187 -5.397 3.366 1.00 21.35 N ATOM 507 CA LEU A 33 -4.002 -6.144 4.626 1.00 5.13 C ATOM 508 C LEU A 33 -4.733 -7.494 4.552 1.00 10.14 C ATOM 509 O LEU A 33 -4.190 -8.517 4.973 1.00 10.12 O ATOM 510 CB LEU A 33 -4.516 -5.337 5.854 1.00 44.32 C ATOM 511 CG LEU A 33 -3.836 -3.960 6.121 1.00 73.11 C ATOM 512 CD1 LEU A 33 -4.485 -3.245 7.325 1.00 23.35 C ATOM 513 CD2 LEU A 33 -2.306 -4.104 6.298 1.00 2.12 C ATOM 0 H LEU A 33 -4.681 -4.512 3.481 1.00 21.35 H new ATOM 0 HA LEU A 33 -2.933 -6.312 4.755 1.00 5.13 H new ATOM 0 HB2 LEU A 33 -5.586 -5.169 5.728 1.00 44.32 H new ATOM 0 HB3 LEU A 33 -4.393 -5.955 6.743 1.00 44.32 H new ATOM 0 HG LEU A 33 -3.997 -3.336 5.242 1.00 73.11 H new ATOM 0 HD11 LEU A 33 -3.991 -2.287 7.489 1.00 23.35 H new ATOM 0 HD12 LEU A 33 -5.543 -3.078 7.122 1.00 23.35 H new ATOM 0 HD13 LEU A 33 -4.380 -3.864 8.216 1.00 23.35 H new ATOM 0 HD21 LEU A 33 -1.867 -3.123 6.482 1.00 2.12 H new ATOM 0 HD22 LEU A 33 -2.098 -4.760 7.144 1.00 2.12 H new ATOM 0 HD23 LEU A 33 -1.874 -4.531 5.393 1.00 2.12 H new ATOM 525 N GLU A 34 -5.963 -7.462 3.997 1.00 44.45 N ATOM 526 CA GLU A 34 -6.809 -8.653 3.823 1.00 11.51 C ATOM 527 C GLU A 34 -6.165 -9.642 2.838 1.00 65.43 C ATOM 528 O GLU A 34 -6.101 -10.841 3.117 1.00 22.05 O ATOM 529 CB GLU A 34 -8.215 -8.249 3.316 1.00 62.44 C ATOM 530 CG GLU A 34 -9.025 -7.351 4.267 1.00 73.42 C ATOM 531 CD GLU A 34 -9.363 -8.046 5.589 1.00 42.41 C ATOM 532 OE1 GLU A 34 -10.311 -8.858 5.615 1.00 14.04 O ATOM 533 OE2 GLU A 34 -8.677 -7.807 6.608 1.00 22.52 O ATOM 0 H GLU A 34 -6.396 -6.603 3.657 1.00 44.45 H new ATOM 0 HA GLU A 34 -6.907 -9.140 4.793 1.00 11.51 H new ATOM 0 HB2 GLU A 34 -8.105 -7.733 2.362 1.00 62.44 H new ATOM 0 HB3 GLU A 34 -8.788 -9.156 3.123 1.00 62.44 H new ATOM 0 HG2 GLU A 34 -8.459 -6.443 4.473 1.00 73.42 H new ATOM 0 HG3 GLU A 34 -9.948 -7.046 3.775 1.00 73.42 H new ATOM 540 N LYS A 35 -5.692 -9.110 1.684 1.00 14.32 N ATOM 541 CA LYS A 35 -5.019 -9.906 0.637 1.00 31.52 C ATOM 542 C LYS A 35 -3.788 -10.617 1.216 1.00 24.12 C ATOM 543 O LYS A 35 -3.657 -11.832 1.101 1.00 71.52 O ATOM 544 CB LYS A 35 -4.595 -8.990 -0.551 1.00 23.40 C ATOM 545 CG LYS A 35 -5.752 -8.442 -1.411 1.00 31.31 C ATOM 546 CD LYS A 35 -6.491 -9.546 -2.207 1.00 63.24 C ATOM 547 CE LYS A 35 -7.580 -8.984 -3.138 1.00 4.22 C ATOM 548 NZ LYS A 35 -8.282 -10.062 -3.882 1.00 0.51 N ATOM 0 H LYS A 35 -5.768 -8.119 1.457 1.00 14.32 H new ATOM 0 HA LYS A 35 -5.719 -10.657 0.270 1.00 31.52 H new ATOM 0 HB2 LYS A 35 -4.030 -8.147 -0.154 1.00 23.40 H new ATOM 0 HB3 LYS A 35 -3.919 -9.551 -1.197 1.00 23.40 H new ATOM 0 HG2 LYS A 35 -6.465 -7.928 -0.766 1.00 31.31 H new ATOM 0 HG3 LYS A 35 -5.360 -7.701 -2.107 1.00 31.31 H new ATOM 0 HD2 LYS A 35 -5.767 -10.106 -2.799 1.00 63.24 H new ATOM 0 HD3 LYS A 35 -6.944 -10.249 -1.508 1.00 63.24 H new ATOM 0 HE2 LYS A 35 -8.303 -8.418 -2.551 1.00 4.22 H new ATOM 0 HE3 LYS A 35 -7.129 -8.288 -3.846 1.00 4.22 H new ATOM 0 HZ1 LYS A 35 -9.063 -9.652 -4.433 1.00 0.51 H new ATOM 0 HZ2 LYS A 35 -7.614 -10.532 -4.525 1.00 0.51 H new ATOM 0 HZ3 LYS A 35 -8.662 -10.758 -3.209 1.00 0.51 H new ATOM 562 N ASN A 36 -2.947 -9.832 1.908 1.00 10.54 N ATOM 563 CA ASN A 36 -1.666 -10.290 2.493 1.00 72.44 C ATOM 564 C ASN A 36 -1.918 -11.371 3.567 1.00 25.41 C ATOM 565 O ASN A 36 -1.157 -12.342 3.692 1.00 42.53 O ATOM 566 CB ASN A 36 -0.923 -9.059 3.098 1.00 51.22 C ATOM 567 CG ASN A 36 0.596 -9.223 3.221 1.00 42.32 C ATOM 568 OD1 ASN A 36 1.121 -10.319 3.403 1.00 34.33 O ATOM 569 ND2 ASN A 36 1.316 -8.114 3.118 1.00 0.33 N ATOM 0 H ASN A 36 -3.136 -8.845 2.082 1.00 10.54 H new ATOM 0 HA ASN A 36 -1.045 -10.739 1.718 1.00 72.44 H new ATOM 0 HB2 ASN A 36 -1.131 -8.186 2.479 1.00 51.22 H new ATOM 0 HB3 ASN A 36 -1.334 -8.854 4.087 1.00 51.22 H new ATOM 0 HD21 ASN A 36 2.333 -8.157 3.190 1.00 0.33 H new ATOM 0 HD22 ASN A 36 0.853 -7.218 2.967 1.00 0.33 H new ATOM 576 N LYS A 37 -3.024 -11.182 4.311 1.00 44.42 N ATOM 577 CA LYS A 37 -3.509 -12.108 5.355 1.00 12.15 C ATOM 578 C LYS A 37 -3.992 -13.443 4.740 1.00 73.35 C ATOM 579 O LYS A 37 -3.840 -14.511 5.342 1.00 15.34 O ATOM 580 CB LYS A 37 -4.660 -11.412 6.131 1.00 41.35 C ATOM 581 CG LYS A 37 -5.306 -12.237 7.267 1.00 41.11 C ATOM 582 CD LYS A 37 -6.518 -11.516 7.909 1.00 54.33 C ATOM 583 CE LYS A 37 -7.660 -11.259 6.904 1.00 44.04 C ATOM 584 NZ LYS A 37 -8.809 -10.554 7.529 1.00 44.54 N ATOM 0 H LYS A 37 -3.620 -10.362 4.201 1.00 44.42 H new ATOM 0 HA LYS A 37 -2.692 -12.347 6.036 1.00 12.15 H new ATOM 0 HB2 LYS A 37 -4.277 -10.484 6.555 1.00 41.35 H new ATOM 0 HB3 LYS A 37 -5.439 -11.139 5.419 1.00 41.35 H new ATOM 0 HG2 LYS A 37 -5.628 -13.201 6.874 1.00 41.11 H new ATOM 0 HG3 LYS A 37 -4.559 -12.439 8.035 1.00 41.11 H new ATOM 0 HD2 LYS A 37 -6.896 -12.117 8.736 1.00 54.33 H new ATOM 0 HD3 LYS A 37 -6.189 -10.566 8.329 1.00 54.33 H new ATOM 0 HE2 LYS A 37 -7.282 -10.667 6.071 1.00 44.04 H new ATOM 0 HE3 LYS A 37 -8.000 -12.209 6.492 1.00 44.04 H new ATOM 0 HZ1 LYS A 37 -9.671 -10.739 6.978 1.00 44.54 H new ATOM 0 HZ2 LYS A 37 -8.940 -10.898 8.502 1.00 44.54 H new ATOM 0 HZ3 LYS A 37 -8.621 -9.531 7.546 1.00 44.54 H new ATOM 598 N MET A 38 -4.566 -13.362 3.522 1.00 43.31 N ATOM 599 CA MET A 38 -5.048 -14.540 2.762 1.00 2.44 C ATOM 600 C MET A 38 -3.912 -15.190 1.941 1.00 53.40 C ATOM 601 O MET A 38 -4.135 -16.185 1.245 1.00 43.51 O ATOM 602 CB MET A 38 -6.234 -14.132 1.836 1.00 13.14 C ATOM 603 CG MET A 38 -7.511 -13.726 2.590 1.00 41.24 C ATOM 604 SD MET A 38 -8.888 -13.311 1.492 1.00 53.44 S ATOM 605 CE MET A 38 -8.279 -11.849 0.648 1.00 1.43 C ATOM 0 H MET A 38 -4.710 -12.478 3.035 1.00 43.31 H new ATOM 0 HA MET A 38 -5.398 -15.283 3.478 1.00 2.44 H new ATOM 0 HB2 MET A 38 -5.918 -13.301 1.205 1.00 13.14 H new ATOM 0 HB3 MET A 38 -6.466 -14.966 1.173 1.00 13.14 H new ATOM 0 HG2 MET A 38 -7.812 -14.542 3.247 1.00 41.24 H new ATOM 0 HG3 MET A 38 -7.292 -12.869 3.227 1.00 41.24 H new ATOM 0 HE1 MET A 38 -9.052 -11.464 -0.016 1.00 1.43 H new ATOM 0 HE2 MET A 38 -8.019 -11.087 1.382 1.00 1.43 H new ATOM 0 HE3 MET A 38 -7.395 -12.107 0.065 1.00 1.43 H new ATOM 615 N GLY A 39 -2.695 -14.613 2.031 1.00 62.44 N ATOM 616 CA GLY A 39 -1.513 -15.129 1.332 1.00 71.23 C ATOM 617 C GLY A 39 -1.260 -14.435 -0.001 1.00 55.44 C ATOM 618 O GLY A 39 -0.213 -14.636 -0.614 1.00 0.42 O ATOM 0 H GLY A 39 -2.511 -13.780 2.590 1.00 62.44 H new ATOM 0 HA2 GLY A 39 -0.638 -15.007 1.971 1.00 71.23 H new ATOM 0 HA3 GLY A 39 -1.637 -16.198 1.161 1.00 71.23 H new ATOM 622 N LYS A 40 -2.222 -13.605 -0.436 1.00 22.32 N ATOM 623 CA LYS A 40 -2.166 -12.835 -1.697 1.00 63.34 C ATOM 624 C LYS A 40 -1.320 -11.549 -1.523 1.00 31.10 C ATOM 625 O LYS A 40 -1.799 -10.444 -1.798 1.00 32.13 O ATOM 626 CB LYS A 40 -3.622 -12.471 -2.130 1.00 45.32 C ATOM 627 CG LYS A 40 -4.561 -13.670 -2.354 1.00 44.43 C ATOM 628 CD LYS A 40 -6.030 -13.237 -2.622 1.00 31.24 C ATOM 629 CE LYS A 40 -6.885 -14.372 -3.209 1.00 75.42 C ATOM 630 NZ LYS A 40 -6.332 -14.853 -4.504 1.00 71.33 N ATOM 0 H LYS A 40 -3.082 -13.445 0.089 1.00 22.32 H new ATOM 0 HA LYS A 40 -1.691 -13.442 -2.468 1.00 63.34 H new ATOM 0 HB2 LYS A 40 -4.059 -11.826 -1.368 1.00 45.32 H new ATOM 0 HB3 LYS A 40 -3.575 -11.890 -3.051 1.00 45.32 H new ATOM 0 HG2 LYS A 40 -4.199 -14.257 -3.198 1.00 44.43 H new ATOM 0 HG3 LYS A 40 -4.531 -14.319 -1.478 1.00 44.43 H new ATOM 0 HD2 LYS A 40 -6.479 -12.894 -1.690 1.00 31.24 H new ATOM 0 HD3 LYS A 40 -6.036 -12.391 -3.309 1.00 31.24 H new ATOM 0 HE2 LYS A 40 -6.930 -15.199 -2.501 1.00 75.42 H new ATOM 0 HE3 LYS A 40 -7.907 -14.022 -3.355 1.00 75.42 H new ATOM 0 HZ1 LYS A 40 -7.113 -15.106 -5.142 1.00 71.33 H new ATOM 0 HZ2 LYS A 40 -5.760 -14.101 -4.938 1.00 71.33 H new ATOM 0 HZ3 LYS A 40 -5.736 -15.689 -4.338 1.00 71.33 H new ATOM 644 N ALA A 41 -0.052 -11.698 -1.074 1.00 11.40 N ATOM 645 CA ALA A 41 0.872 -10.559 -0.874 1.00 32.13 C ATOM 646 C ALA A 41 1.269 -9.906 -2.214 1.00 0.12 C ATOM 647 O ALA A 41 1.724 -8.757 -2.232 1.00 65.35 O ATOM 648 CB ALA A 41 2.113 -11.006 -0.094 1.00 11.14 C ATOM 0 H ALA A 41 0.356 -12.604 -0.842 1.00 11.40 H new ATOM 0 HA ALA A 41 0.348 -9.804 -0.288 1.00 32.13 H new ATOM 0 HB1 ALA A 41 2.782 -10.156 0.044 1.00 11.14 H new ATOM 0 HB2 ALA A 41 1.811 -11.392 0.880 1.00 11.14 H new ATOM 0 HB3 ALA A 41 2.630 -11.788 -0.650 1.00 11.14 H new ATOM 654 N ARG A 42 1.081 -10.662 -3.326 1.00 53.20 N ATOM 655 CA ARG A 42 1.253 -10.155 -4.698 1.00 41.34 C ATOM 656 C ARG A 42 0.195 -9.049 -4.937 1.00 21.34 C ATOM 657 O ARG A 42 0.536 -7.890 -5.209 1.00 31.42 O ATOM 658 CB ARG A 42 1.081 -11.337 -5.731 1.00 11.25 C ATOM 659 CG ARG A 42 1.793 -11.194 -7.102 1.00 11.41 C ATOM 660 CD ARG A 42 1.358 -9.998 -7.993 1.00 44.55 C ATOM 661 NE ARG A 42 1.875 -8.701 -7.520 1.00 50.40 N ATOM 662 CZ ARG A 42 1.678 -7.526 -8.127 1.00 54.41 C ATOM 663 NH1 ARG A 42 0.990 -7.436 -9.262 1.00 62.35 N ATOM 664 NH2 ARG A 42 2.108 -6.424 -7.549 1.00 63.10 N ATOM 0 H ARG A 42 0.805 -11.643 -3.288 1.00 53.20 H new ATOM 0 HA ARG A 42 2.251 -9.739 -4.833 1.00 41.34 H new ATOM 0 HB2 ARG A 42 1.439 -12.252 -5.259 1.00 11.25 H new ATOM 0 HB3 ARG A 42 0.015 -11.470 -5.917 1.00 11.25 H new ATOM 0 HG2 ARG A 42 2.865 -11.112 -6.922 1.00 11.41 H new ATOM 0 HG3 ARG A 42 1.634 -12.113 -7.665 1.00 11.41 H new ATOM 0 HD2 ARG A 42 1.703 -10.169 -9.013 1.00 44.55 H new ATOM 0 HD3 ARG A 42 0.269 -9.957 -8.028 1.00 44.55 H new ATOM 0 HE ARG A 42 2.427 -8.700 -6.662 1.00 50.40 H new ATOM 0 HH11 ARG A 42 0.599 -8.276 -9.689 1.00 62.35 H new ATOM 0 HH12 ARG A 42 0.854 -6.527 -9.705 1.00 62.35 H new ATOM 0 HH21 ARG A 42 2.585 -6.473 -6.649 1.00 63.10 H new ATOM 0 HH22 ARG A 42 1.964 -5.521 -8.001 1.00 63.10 H new ATOM 678 N GLU A 43 -1.080 -9.427 -4.737 1.00 30.23 N ATOM 679 CA GLU A 43 -2.245 -8.545 -4.939 1.00 73.51 C ATOM 680 C GLU A 43 -2.240 -7.398 -3.910 1.00 62.34 C ATOM 681 O GLU A 43 -2.603 -6.269 -4.234 1.00 22.12 O ATOM 682 CB GLU A 43 -3.553 -9.383 -4.847 1.00 21.53 C ATOM 683 CG GLU A 43 -3.669 -10.482 -5.931 1.00 13.33 C ATOM 684 CD GLU A 43 -4.849 -11.455 -5.738 1.00 20.32 C ATOM 685 OE1 GLU A 43 -5.982 -10.992 -5.484 1.00 12.43 O ATOM 686 OE2 GLU A 43 -4.650 -12.692 -5.828 1.00 13.04 O ATOM 0 H GLU A 43 -1.334 -10.365 -4.427 1.00 30.23 H new ATOM 0 HA GLU A 43 -2.190 -8.095 -5.930 1.00 73.51 H new ATOM 0 HB2 GLU A 43 -3.606 -9.849 -3.863 1.00 21.53 H new ATOM 0 HB3 GLU A 43 -4.409 -8.713 -4.929 1.00 21.53 H new ATOM 0 HG2 GLU A 43 -3.766 -10.003 -6.905 1.00 13.33 H new ATOM 0 HG3 GLU A 43 -2.742 -11.055 -5.948 1.00 13.33 H new ATOM 693 N ALA A 44 -1.753 -7.708 -2.687 1.00 3.14 N ATOM 694 CA ALA A 44 -1.647 -6.753 -1.571 1.00 22.33 C ATOM 695 C ALA A 44 -0.732 -5.581 -1.928 1.00 72.14 C ATOM 696 O ALA A 44 -1.072 -4.426 -1.653 1.00 13.44 O ATOM 697 CB ALA A 44 -1.125 -7.469 -0.316 1.00 44.22 C ATOM 0 H ALA A 44 -1.419 -8.642 -2.449 1.00 3.14 H new ATOM 0 HA ALA A 44 -2.641 -6.353 -1.371 1.00 22.33 H new ATOM 0 HB1 ALA A 44 -1.049 -6.756 0.505 1.00 44.22 H new ATOM 0 HB2 ALA A 44 -1.813 -8.268 -0.040 1.00 44.22 H new ATOM 0 HB3 ALA A 44 -0.141 -7.892 -0.521 1.00 44.22 H new ATOM 703 N ALA A 45 0.412 -5.912 -2.567 1.00 14.33 N ATOM 704 CA ALA A 45 1.432 -4.937 -2.983 1.00 1.42 C ATOM 705 C ALA A 45 0.846 -3.870 -3.927 1.00 51.22 C ATOM 706 O ALA A 45 1.238 -2.698 -3.864 1.00 31.41 O ATOM 707 CB ALA A 45 2.603 -5.673 -3.651 1.00 41.15 C ATOM 0 H ALA A 45 0.651 -6.874 -2.808 1.00 14.33 H new ATOM 0 HA ALA A 45 1.793 -4.416 -2.096 1.00 1.42 H new ATOM 0 HB1 ALA A 45 3.359 -4.950 -3.959 1.00 41.15 H new ATOM 0 HB2 ALA A 45 3.041 -6.377 -2.944 1.00 41.15 H new ATOM 0 HB3 ALA A 45 2.241 -6.215 -4.525 1.00 41.15 H new ATOM 713 N GLU A 46 -0.089 -4.304 -4.802 1.00 41.43 N ATOM 714 CA GLU A 46 -0.849 -3.411 -5.697 1.00 4.21 C ATOM 715 C GLU A 46 -1.645 -2.374 -4.887 1.00 25.44 C ATOM 716 O GLU A 46 -1.512 -1.167 -5.104 1.00 54.24 O ATOM 717 CB GLU A 46 -1.821 -4.234 -6.584 1.00 22.31 C ATOM 718 CG GLU A 46 -1.149 -5.110 -7.659 1.00 71.43 C ATOM 719 CD GLU A 46 -0.489 -4.283 -8.779 1.00 34.31 C ATOM 720 OE1 GLU A 46 -1.204 -3.513 -9.447 1.00 12.15 O ATOM 721 OE2 GLU A 46 0.733 -4.403 -9.011 1.00 64.41 O ATOM 0 H GLU A 46 -0.336 -5.288 -4.905 1.00 41.43 H new ATOM 0 HA GLU A 46 -0.136 -2.888 -6.334 1.00 4.21 H new ATOM 0 HB2 GLU A 46 -2.421 -4.876 -5.939 1.00 22.31 H new ATOM 0 HB3 GLU A 46 -2.508 -3.546 -7.077 1.00 22.31 H new ATOM 0 HG2 GLU A 46 -0.395 -5.741 -7.188 1.00 71.43 H new ATOM 0 HG3 GLU A 46 -1.894 -5.775 -8.096 1.00 71.43 H new ATOM 728 N TYR A 47 -2.441 -2.880 -3.933 1.00 45.51 N ATOM 729 CA TYR A 47 -3.362 -2.065 -3.122 1.00 41.42 C ATOM 730 C TYR A 47 -2.616 -1.082 -2.195 1.00 62.24 C ATOM 731 O TYR A 47 -3.104 0.027 -1.959 1.00 12.31 O ATOM 732 CB TYR A 47 -4.291 -2.990 -2.303 1.00 63.25 C ATOM 733 CG TYR A 47 -5.301 -3.764 -3.148 1.00 35.12 C ATOM 734 CD1 TYR A 47 -6.384 -3.110 -3.721 1.00 54.34 C ATOM 735 CD2 TYR A 47 -5.185 -5.132 -3.358 1.00 20.20 C ATOM 736 CE1 TYR A 47 -7.319 -3.789 -4.471 1.00 63.34 C ATOM 737 CE2 TYR A 47 -6.106 -5.821 -4.111 1.00 53.34 C ATOM 738 CZ TYR A 47 -7.175 -5.149 -4.667 1.00 42.24 C ATOM 739 OH TYR A 47 -8.108 -5.839 -5.406 1.00 32.23 O ATOM 0 H TYR A 47 -2.465 -3.873 -3.700 1.00 45.51 H new ATOM 0 HA TYR A 47 -3.959 -1.460 -3.804 1.00 41.42 H new ATOM 0 HB2 TYR A 47 -3.680 -3.700 -1.745 1.00 63.25 H new ATOM 0 HB3 TYR A 47 -4.830 -2.389 -1.571 1.00 63.25 H new ATOM 0 HD1 TYR A 47 -6.496 -2.046 -3.575 1.00 54.34 H new ATOM 0 HD2 TYR A 47 -4.354 -5.666 -2.921 1.00 20.20 H new ATOM 0 HE1 TYR A 47 -8.158 -3.263 -4.902 1.00 63.34 H new ATOM 0 HE2 TYR A 47 -5.993 -6.884 -4.267 1.00 53.34 H new ATOM 0 HH TYR A 47 -7.857 -6.785 -5.448 1.00 32.23 H new ATOM 749 N PHE A 48 -1.434 -1.500 -1.691 1.00 4.41 N ATOM 750 CA PHE A 48 -0.578 -0.653 -0.831 1.00 31.33 C ATOM 751 C PHE A 48 0.027 0.505 -1.637 1.00 32.24 C ATOM 752 O PHE A 48 0.206 1.606 -1.109 1.00 13.34 O ATOM 753 CB PHE A 48 0.565 -1.478 -0.177 1.00 2.53 C ATOM 754 CG PHE A 48 0.115 -2.507 0.859 1.00 12.43 C ATOM 755 CD1 PHE A 48 -0.849 -2.183 1.807 1.00 41.12 C ATOM 756 CD2 PHE A 48 0.673 -3.787 0.899 1.00 11.20 C ATOM 757 CE1 PHE A 48 -1.241 -3.096 2.760 1.00 41.05 C ATOM 758 CE2 PHE A 48 0.275 -4.703 1.854 1.00 72.23 C ATOM 759 CZ PHE A 48 -0.683 -4.359 2.780 1.00 24.11 C ATOM 0 H PHE A 48 -1.048 -2.428 -1.867 1.00 4.41 H new ATOM 0 HA PHE A 48 -1.213 -0.251 -0.041 1.00 31.33 H new ATOM 0 HB2 PHE A 48 1.114 -1.995 -0.964 1.00 2.53 H new ATOM 0 HB3 PHE A 48 1.263 -0.789 0.299 1.00 2.53 H new ATOM 0 HD1 PHE A 48 -1.297 -1.200 1.796 1.00 41.12 H new ATOM 0 HD2 PHE A 48 1.425 -4.064 0.175 1.00 11.20 H new ATOM 0 HE1 PHE A 48 -1.986 -2.824 3.493 1.00 41.05 H new ATOM 0 HE2 PHE A 48 0.716 -5.689 1.874 1.00 72.23 H new ATOM 0 HZ PHE A 48 -0.999 -5.077 3.523 1.00 24.11 H new ATOM 769 N PHE A 49 0.339 0.236 -2.920 1.00 32.14 N ATOM 770 CA PHE A 49 0.937 1.229 -3.824 1.00 23.40 C ATOM 771 C PHE A 49 -0.094 2.293 -4.214 1.00 0.42 C ATOM 772 O PHE A 49 0.178 3.493 -4.129 1.00 61.32 O ATOM 773 CB PHE A 49 1.492 0.532 -5.092 1.00 35.52 C ATOM 774 CG PHE A 49 2.291 1.456 -6.007 1.00 43.14 C ATOM 775 CD1 PHE A 49 3.440 2.077 -5.533 1.00 72.21 C ATOM 776 CD2 PHE A 49 1.910 1.704 -7.329 1.00 60.02 C ATOM 777 CE1 PHE A 49 4.186 2.899 -6.338 1.00 10.13 C ATOM 778 CE2 PHE A 49 2.667 2.532 -8.140 1.00 53.53 C ATOM 779 CZ PHE A 49 3.804 3.132 -7.640 1.00 71.13 C ATOM 0 H PHE A 49 0.183 -0.674 -3.354 1.00 32.14 H new ATOM 0 HA PHE A 49 1.759 1.720 -3.303 1.00 23.40 H new ATOM 0 HB2 PHE A 49 2.127 -0.300 -4.788 1.00 35.52 H new ATOM 0 HB3 PHE A 49 0.660 0.109 -5.656 1.00 35.52 H new ATOM 0 HD1 PHE A 49 3.751 1.909 -4.512 1.00 72.21 H new ATOM 0 HD2 PHE A 49 1.015 1.244 -7.722 1.00 60.02 H new ATOM 0 HE1 PHE A 49 5.078 3.366 -5.948 1.00 10.13 H new ATOM 0 HE2 PHE A 49 2.368 2.708 -9.163 1.00 53.53 H new ATOM 0 HZ PHE A 49 4.393 3.783 -8.269 1.00 71.13 H new ATOM 789 N ARG A 50 -1.279 1.814 -4.624 1.00 30.13 N ATOM 790 CA ARG A 50 -2.416 2.659 -5.030 1.00 22.35 C ATOM 791 C ARG A 50 -2.914 3.515 -3.843 1.00 41.32 C ATOM 792 O ARG A 50 -3.393 4.635 -4.035 1.00 24.41 O ATOM 793 CB ARG A 50 -3.544 1.761 -5.585 1.00 21.22 C ATOM 794 CG ARG A 50 -3.166 0.946 -6.852 1.00 32.43 C ATOM 795 CD ARG A 50 -4.204 -0.142 -7.188 1.00 23.21 C ATOM 796 NE ARG A 50 -5.564 0.406 -7.392 1.00 61.23 N ATOM 797 CZ ARG A 50 -6.704 -0.300 -7.299 1.00 54.53 C ATOM 798 NH1 ARG A 50 -6.698 -1.595 -7.008 1.00 65.51 N ATOM 799 NH2 ARG A 50 -7.862 0.303 -7.502 1.00 60.54 N ATOM 0 H ARG A 50 -1.478 0.815 -4.684 1.00 30.13 H new ATOM 0 HA ARG A 50 -2.095 3.346 -5.813 1.00 22.35 H new ATOM 0 HB2 ARG A 50 -3.854 1.067 -4.804 1.00 21.22 H new ATOM 0 HB3 ARG A 50 -4.406 2.387 -5.817 1.00 21.22 H new ATOM 0 HG2 ARG A 50 -3.068 1.624 -7.700 1.00 32.43 H new ATOM 0 HG3 ARG A 50 -2.192 0.480 -6.703 1.00 32.43 H new ATOM 0 HD2 ARG A 50 -3.891 -0.670 -8.089 1.00 23.21 H new ATOM 0 HD3 ARG A 50 -4.230 -0.875 -6.381 1.00 23.21 H new ATOM 0 HE ARG A 50 -5.642 1.397 -7.621 1.00 61.23 H new ATOM 0 HH11 ARG A 50 -5.814 -2.078 -6.849 1.00 65.51 H new ATOM 0 HH12 ARG A 50 -7.578 -2.107 -6.944 1.00 65.51 H new ATOM 0 HH21 ARG A 50 -7.887 1.297 -7.728 1.00 60.54 H new ATOM 0 HH22 ARG A 50 -8.731 -0.226 -7.433 1.00 60.54 H new ATOM 813 N ALA A 51 -2.776 2.955 -2.619 1.00 42.30 N ATOM 814 CA ALA A 51 -3.062 3.663 -1.364 1.00 72.34 C ATOM 815 C ALA A 51 -2.036 4.788 -1.152 1.00 41.11 C ATOM 816 O ALA A 51 -2.413 5.938 -0.897 1.00 4.14 O ATOM 817 CB ALA A 51 -3.038 2.685 -0.179 1.00 13.34 C ATOM 0 H ALA A 51 -2.461 1.995 -2.481 1.00 42.30 H new ATOM 0 HA ALA A 51 -4.058 4.102 -1.426 1.00 72.34 H new ATOM 0 HB1 ALA A 51 -3.252 3.225 0.743 1.00 13.34 H new ATOM 0 HB2 ALA A 51 -3.792 1.912 -0.330 1.00 13.34 H new ATOM 0 HB3 ALA A 51 -2.053 2.223 -0.109 1.00 13.34 H new ATOM 823 N ALA A 52 -0.741 4.430 -1.315 1.00 44.43 N ATOM 824 CA ALA A 52 0.401 5.341 -1.104 1.00 64.53 C ATOM 825 C ALA A 52 0.346 6.561 -2.043 1.00 72.41 C ATOM 826 O ALA A 52 0.769 7.649 -1.653 1.00 73.15 O ATOM 827 CB ALA A 52 1.732 4.582 -1.281 1.00 3.30 C ATOM 0 H ALA A 52 -0.460 3.491 -1.599 1.00 44.43 H new ATOM 0 HA ALA A 52 0.338 5.715 -0.082 1.00 64.53 H new ATOM 0 HB1 ALA A 52 2.565 5.267 -1.122 1.00 3.30 H new ATOM 0 HB2 ALA A 52 1.787 3.770 -0.556 1.00 3.30 H new ATOM 0 HB3 ALA A 52 1.786 4.172 -2.290 1.00 3.30 H new ATOM 833 N ILE A 53 -0.186 6.354 -3.276 1.00 63.41 N ATOM 834 CA ILE A 53 -0.405 7.434 -4.268 1.00 74.41 C ATOM 835 C ILE A 53 -1.313 8.542 -3.677 1.00 70.51 C ATOM 836 O ILE A 53 -0.996 9.730 -3.780 1.00 15.13 O ATOM 837 CB ILE A 53 -1.036 6.871 -5.613 1.00 60.00 C ATOM 838 CG1 ILE A 53 -0.061 5.867 -6.310 1.00 12.11 C ATOM 839 CG2 ILE A 53 -1.428 8.016 -6.588 1.00 73.42 C ATOM 840 CD1 ILE A 53 -0.627 5.139 -7.522 1.00 10.22 C ATOM 0 H ILE A 53 -0.474 5.434 -3.608 1.00 63.41 H new ATOM 0 HA ILE A 53 0.569 7.863 -4.506 1.00 74.41 H new ATOM 0 HB ILE A 53 -1.948 6.338 -5.344 1.00 60.00 H new ATOM 0 HG12 ILE A 53 0.832 6.410 -6.618 1.00 12.11 H new ATOM 0 HG13 ILE A 53 0.254 5.125 -5.577 1.00 12.11 H new ATOM 0 HG21 ILE A 53 -1.856 7.590 -7.496 1.00 73.42 H new ATOM 0 HG22 ILE A 53 -2.162 8.665 -6.111 1.00 73.42 H new ATOM 0 HG23 ILE A 53 -0.541 8.597 -6.842 1.00 73.42 H new ATOM 0 HD11 ILE A 53 0.129 4.468 -7.929 1.00 10.22 H new ATOM 0 HD12 ILE A 53 -1.502 4.561 -7.224 1.00 10.22 H new ATOM 0 HD13 ILE A 53 -0.914 5.866 -8.282 1.00 10.22 H new ATOM 852 N VAL A 54 -2.411 8.120 -3.018 1.00 1.22 N ATOM 853 CA VAL A 54 -3.423 9.033 -2.441 1.00 42.25 C ATOM 854 C VAL A 54 -2.787 9.913 -1.351 1.00 74.41 C ATOM 855 O VAL A 54 -2.887 11.140 -1.399 1.00 71.44 O ATOM 856 CB VAL A 54 -4.652 8.233 -1.854 1.00 23.20 C ATOM 857 CG1 VAL A 54 -5.797 9.183 -1.394 1.00 0.13 C ATOM 858 CG2 VAL A 54 -5.153 7.194 -2.884 1.00 72.05 C ATOM 0 H VAL A 54 -2.623 7.133 -2.870 1.00 1.22 H new ATOM 0 HA VAL A 54 -3.793 9.673 -3.242 1.00 42.25 H new ATOM 0 HB VAL A 54 -4.315 7.700 -0.965 1.00 23.20 H new ATOM 0 HG11 VAL A 54 -6.623 8.592 -0.997 1.00 0.13 H new ATOM 0 HG12 VAL A 54 -5.425 9.853 -0.619 1.00 0.13 H new ATOM 0 HG13 VAL A 54 -6.146 9.770 -2.244 1.00 0.13 H new ATOM 0 HG21 VAL A 54 -6.000 6.649 -2.468 1.00 72.05 H new ATOM 0 HG22 VAL A 54 -5.463 7.705 -3.795 1.00 72.05 H new ATOM 0 HG23 VAL A 54 -4.350 6.495 -3.115 1.00 72.05 H new ATOM 868 N PHE A 55 -2.069 9.256 -0.420 1.00 25.50 N ATOM 869 CA PHE A 55 -1.400 9.925 0.715 1.00 0.32 C ATOM 870 C PHE A 55 -0.234 10.817 0.252 1.00 34.33 C ATOM 871 O PHE A 55 0.082 11.809 0.907 1.00 33.40 O ATOM 872 CB PHE A 55 -0.899 8.879 1.741 1.00 4.14 C ATOM 873 CG PHE A 55 -2.009 8.005 2.311 1.00 74.20 C ATOM 874 CD1 PHE A 55 -3.038 8.572 3.057 1.00 20.34 C ATOM 875 CD2 PHE A 55 -2.024 6.623 2.105 1.00 44.24 C ATOM 876 CE1 PHE A 55 -4.049 7.787 3.572 1.00 31.32 C ATOM 877 CE2 PHE A 55 -3.037 5.844 2.622 1.00 21.10 C ATOM 878 CZ PHE A 55 -4.046 6.428 3.356 1.00 65.24 C ATOM 0 H PHE A 55 -1.936 8.245 -0.433 1.00 25.50 H new ATOM 0 HA PHE A 55 -2.138 10.570 1.192 1.00 0.32 H new ATOM 0 HB2 PHE A 55 -0.155 8.242 1.264 1.00 4.14 H new ATOM 0 HB3 PHE A 55 -0.398 9.396 2.560 1.00 4.14 H new ATOM 0 HD1 PHE A 55 -3.045 9.637 3.235 1.00 20.34 H new ATOM 0 HD2 PHE A 55 -1.233 6.160 1.534 1.00 44.24 H new ATOM 0 HE1 PHE A 55 -4.844 8.240 4.146 1.00 31.32 H new ATOM 0 HE2 PHE A 55 -3.040 4.777 2.452 1.00 21.10 H new ATOM 0 HZ PHE A 55 -4.838 5.817 3.763 1.00 65.24 H new ATOM 888 N TYR A 56 0.393 10.454 -0.884 1.00 21.04 N ATOM 889 CA TYR A 56 1.497 11.232 -1.473 1.00 72.01 C ATOM 890 C TYR A 56 0.985 12.587 -2.018 1.00 54.12 C ATOM 891 O TYR A 56 1.598 13.636 -1.770 1.00 52.31 O ATOM 892 CB TYR A 56 2.199 10.421 -2.594 1.00 13.32 C ATOM 893 CG TYR A 56 3.279 11.220 -3.337 1.00 11.25 C ATOM 894 CD1 TYR A 56 4.408 11.691 -2.662 1.00 64.33 C ATOM 895 CD2 TYR A 56 3.140 11.551 -4.688 1.00 71.43 C ATOM 896 CE1 TYR A 56 5.360 12.448 -3.304 1.00 4.33 C ATOM 897 CE2 TYR A 56 4.084 12.318 -5.327 1.00 12.33 C ATOM 898 CZ TYR A 56 5.194 12.764 -4.634 1.00 40.03 C ATOM 899 OH TYR A 56 6.125 13.556 -5.271 1.00 64.32 O ATOM 0 H TYR A 56 0.149 9.618 -1.415 1.00 21.04 H new ATOM 0 HA TYR A 56 2.226 11.436 -0.689 1.00 72.01 H new ATOM 0 HB2 TYR A 56 2.651 9.530 -2.159 1.00 13.32 H new ATOM 0 HB3 TYR A 56 1.451 10.082 -3.310 1.00 13.32 H new ATOM 0 HD1 TYR A 56 4.536 11.456 -1.616 1.00 64.33 H new ATOM 0 HD2 TYR A 56 2.279 11.199 -5.237 1.00 71.43 H new ATOM 0 HE1 TYR A 56 6.232 12.792 -2.768 1.00 4.33 H new ATOM 0 HE2 TYR A 56 3.959 12.572 -6.369 1.00 12.33 H new ATOM 0 HH TYR A 56 5.861 13.683 -6.206 1.00 64.32 H new ATOM 909 N LYS A 57 -0.127 12.536 -2.782 1.00 62.52 N ATOM 910 CA LYS A 57 -0.809 13.745 -3.313 1.00 41.22 C ATOM 911 C LYS A 57 -1.283 14.661 -2.183 1.00 4.45 C ATOM 912 O LYS A 57 -1.178 15.888 -2.275 1.00 13.42 O ATOM 913 CB LYS A 57 -2.011 13.361 -4.234 1.00 51.42 C ATOM 914 CG LYS A 57 -1.625 13.121 -5.706 1.00 10.21 C ATOM 915 CD LYS A 57 -0.625 11.958 -5.905 1.00 52.42 C ATOM 916 CE LYS A 57 -0.089 11.853 -7.338 1.00 13.43 C ATOM 917 NZ LYS A 57 -1.163 11.599 -8.339 1.00 2.03 N ATOM 0 H LYS A 57 -0.579 11.662 -3.050 1.00 62.52 H new ATOM 0 HA LYS A 57 -0.077 14.288 -3.910 1.00 41.22 H new ATOM 0 HB2 LYS A 57 -2.482 12.460 -3.842 1.00 51.42 H new ATOM 0 HB3 LYS A 57 -2.756 14.155 -4.190 1.00 51.42 H new ATOM 0 HG2 LYS A 57 -2.528 12.914 -6.280 1.00 10.21 H new ATOM 0 HG3 LYS A 57 -1.191 14.035 -6.112 1.00 10.21 H new ATOM 0 HD2 LYS A 57 0.213 12.088 -5.220 1.00 52.42 H new ATOM 0 HD3 LYS A 57 -1.112 11.020 -5.638 1.00 52.42 H new ATOM 0 HE2 LYS A 57 0.430 12.776 -7.595 1.00 13.43 H new ATOM 0 HE3 LYS A 57 0.646 11.049 -7.388 1.00 13.43 H new ATOM 0 HZ1 LYS A 57 -0.745 11.537 -9.289 1.00 2.03 H new ATOM 0 HZ2 LYS A 57 -1.643 10.705 -8.113 1.00 2.03 H new ATOM 0 HZ3 LYS A 57 -1.852 12.378 -8.314 1.00 2.03 H new ATOM 931 N GLU A 58 -1.806 14.044 -1.124 1.00 71.11 N ATOM 932 CA GLU A 58 -2.292 14.764 0.062 1.00 54.21 C ATOM 933 C GLU A 58 -1.141 15.134 1.015 1.00 44.01 C ATOM 934 O GLU A 58 -1.364 15.795 2.040 1.00 62.03 O ATOM 935 CB GLU A 58 -3.393 13.925 0.769 1.00 63.30 C ATOM 936 CG GLU A 58 -4.580 13.570 -0.150 1.00 54.33 C ATOM 937 CD GLU A 58 -5.111 14.788 -0.929 1.00 44.01 C ATOM 938 OE1 GLU A 58 -5.778 15.652 -0.322 1.00 33.41 O ATOM 939 OE2 GLU A 58 -4.827 14.911 -2.142 1.00 40.15 O ATOM 0 H GLU A 58 -1.907 13.031 -1.060 1.00 71.11 H new ATOM 0 HA GLU A 58 -2.734 15.708 -0.257 1.00 54.21 H new ATOM 0 HB2 GLU A 58 -2.950 13.005 1.149 1.00 63.30 H new ATOM 0 HB3 GLU A 58 -3.764 14.479 1.631 1.00 63.30 H new ATOM 0 HG2 GLU A 58 -4.271 12.799 -0.856 1.00 54.33 H new ATOM 0 HG3 GLU A 58 -5.386 13.148 0.450 1.00 54.33 H new ATOM 946 N HIS A 59 0.089 14.682 0.648 1.00 64.50 N ATOM 947 CA HIS A 59 1.352 14.998 1.335 1.00 43.12 C ATOM 948 C HIS A 59 1.350 14.553 2.811 1.00 63.52 C ATOM 949 O HIS A 59 2.120 15.071 3.634 1.00 71.12 O ATOM 950 CB HIS A 59 1.725 16.499 1.154 1.00 35.15 C ATOM 951 CG HIS A 59 2.085 16.857 -0.273 1.00 72.14 C ATOM 952 ND1 HIS A 59 3.334 16.644 -0.804 1.00 10.11 N ATOM 953 CD2 HIS A 59 1.358 17.407 -1.269 1.00 52.44 C ATOM 954 CE1 HIS A 59 3.363 17.039 -2.054 1.00 5.13 C ATOM 955 NE2 HIS A 59 2.174 17.513 -2.363 1.00 51.14 N ATOM 0 H HIS A 59 0.223 14.071 -0.158 1.00 64.50 H new ATOM 0 HA HIS A 59 2.139 14.413 0.859 1.00 43.12 H new ATOM 0 HB2 HIS A 59 0.886 17.116 1.476 1.00 35.15 H new ATOM 0 HB3 HIS A 59 2.566 16.739 1.805 1.00 35.15 H new ATOM 0 HD2 HIS A 59 0.322 17.708 -1.213 1.00 52.44 H new ATOM 0 HE1 HIS A 59 4.215 16.985 -2.716 1.00 5.13 H new ATOM 0 HE2 HIS A 59 1.905 17.896 -3.269 1.00 51.14 H new ATOM 964 N ASP A 60 0.509 13.550 3.108 1.00 61.20 N ATOM 965 CA ASP A 60 0.389 12.948 4.432 1.00 51.55 C ATOM 966 C ASP A 60 1.450 11.846 4.558 1.00 41.34 C ATOM 967 O ASP A 60 1.289 10.743 4.015 1.00 20.43 O ATOM 968 CB ASP A 60 -1.042 12.377 4.647 1.00 15.22 C ATOM 969 CG ASP A 60 -1.250 11.848 6.075 1.00 45.42 C ATOM 970 OD1 ASP A 60 -1.505 12.666 6.983 1.00 74.31 O ATOM 971 OD2 ASP A 60 -1.117 10.631 6.308 1.00 45.34 O ATOM 0 H ASP A 60 -0.115 13.132 2.418 1.00 61.20 H new ATOM 0 HA ASP A 60 0.553 13.702 5.202 1.00 51.55 H new ATOM 0 HB2 ASP A 60 -1.776 13.155 4.440 1.00 15.22 H new ATOM 0 HB3 ASP A 60 -1.221 11.572 3.934 1.00 15.22 H new ATOM 976 N THR A 61 2.547 12.187 5.246 1.00 13.51 N ATOM 977 CA THR A 61 3.734 11.332 5.380 1.00 52.15 C ATOM 978 C THR A 61 3.459 10.072 6.215 1.00 24.12 C ATOM 979 O THR A 61 4.157 9.072 6.058 1.00 2.44 O ATOM 980 CB THR A 61 4.919 12.134 6.015 1.00 35.01 C ATOM 981 OG1 THR A 61 4.528 12.670 7.295 1.00 31.52 O ATOM 982 CG2 THR A 61 5.384 13.277 5.098 1.00 40.41 C ATOM 0 H THR A 61 2.636 13.079 5.733 1.00 13.51 H new ATOM 0 HA THR A 61 4.004 11.010 4.374 1.00 52.15 H new ATOM 0 HB THR A 61 5.751 11.442 6.146 1.00 35.01 H new ATOM 0 HG1 THR A 61 5.277 13.168 7.684 1.00 31.52 H new ATOM 0 HG21 THR A 61 6.208 13.811 5.572 1.00 40.41 H new ATOM 0 HG22 THR A 61 5.718 12.866 4.145 1.00 40.41 H new ATOM 0 HG23 THR A 61 4.556 13.965 4.926 1.00 40.41 H new ATOM 990 N ASP A 62 2.448 10.140 7.110 1.00 4.12 N ATOM 991 CA ASP A 62 2.090 9.030 8.014 1.00 51.24 C ATOM 992 C ASP A 62 1.560 7.834 7.214 1.00 0.31 C ATOM 993 O ASP A 62 2.118 6.735 7.292 1.00 71.31 O ATOM 994 CB ASP A 62 1.035 9.493 9.056 1.00 14.11 C ATOM 995 CG ASP A 62 0.545 8.346 9.968 1.00 60.23 C ATOM 996 OD1 ASP A 62 1.239 8.026 10.958 1.00 14.03 O ATOM 997 OD2 ASP A 62 -0.516 7.738 9.683 1.00 3.14 O ATOM 0 H ASP A 62 1.860 10.966 7.224 1.00 4.12 H new ATOM 0 HA ASP A 62 2.989 8.719 8.547 1.00 51.24 H new ATOM 0 HB2 ASP A 62 1.464 10.283 9.673 1.00 14.11 H new ATOM 0 HB3 ASP A 62 0.181 9.925 8.534 1.00 14.11 H new ATOM 1002 N GLY A 63 0.484 8.085 6.446 1.00 21.52 N ATOM 1003 CA GLY A 63 -0.186 7.059 5.653 1.00 65.34 C ATOM 1004 C GLY A 63 0.646 6.599 4.471 1.00 74.15 C ATOM 1005 O GLY A 63 0.555 5.439 4.061 1.00 1.35 O ATOM 0 H GLY A 63 0.060 9.009 6.363 1.00 21.52 H new ATOM 0 HA2 GLY A 63 -0.411 6.203 6.289 1.00 65.34 H new ATOM 0 HA3 GLY A 63 -1.138 7.448 5.293 1.00 65.34 H new ATOM 1009 N LEU A 64 1.448 7.532 3.918 1.00 14.04 N ATOM 1010 CA LEU A 64 2.377 7.247 2.817 1.00 44.33 C ATOM 1011 C LEU A 64 3.466 6.273 3.286 1.00 2.52 C ATOM 1012 O LEU A 64 3.742 5.293 2.607 1.00 14.12 O ATOM 1013 CB LEU A 64 3.006 8.567 2.296 1.00 12.52 C ATOM 1014 CG LEU A 64 4.115 8.434 1.195 1.00 51.20 C ATOM 1015 CD1 LEU A 64 3.600 7.717 -0.063 1.00 53.11 C ATOM 1016 CD2 LEU A 64 4.708 9.808 0.843 1.00 23.25 C ATOM 0 H LEU A 64 1.466 8.504 4.226 1.00 14.04 H new ATOM 0 HA LEU A 64 1.828 6.781 1.998 1.00 44.33 H new ATOM 0 HB2 LEU A 64 2.206 9.191 1.899 1.00 12.52 H new ATOM 0 HB3 LEU A 64 3.433 9.099 3.146 1.00 12.52 H new ATOM 0 HG LEU A 64 4.909 7.815 1.613 1.00 51.20 H new ATOM 0 HD11 LEU A 64 4.403 7.648 -0.797 1.00 53.11 H new ATOM 0 HD12 LEU A 64 3.264 6.715 0.202 1.00 53.11 H new ATOM 0 HD13 LEU A 64 2.768 8.279 -0.487 1.00 53.11 H new ATOM 0 HD21 LEU A 64 5.475 9.688 0.077 1.00 23.25 H new ATOM 0 HD22 LEU A 64 3.919 10.459 0.468 1.00 23.25 H new ATOM 0 HD23 LEU A 64 5.152 10.252 1.734 1.00 23.25 H new ATOM 1028 N ARG A 65 4.052 6.563 4.471 1.00 61.44 N ATOM 1029 CA ARG A 65 5.114 5.738 5.091 1.00 43.30 C ATOM 1030 C ARG A 65 4.549 4.374 5.510 1.00 43.03 C ATOM 1031 O ARG A 65 5.202 3.351 5.353 1.00 31.44 O ATOM 1032 CB ARG A 65 5.701 6.469 6.325 1.00 13.04 C ATOM 1033 CG ARG A 65 6.956 5.817 6.953 1.00 44.22 C ATOM 1034 CD ARG A 65 7.549 6.682 8.079 1.00 52.45 C ATOM 1035 NE ARG A 65 8.893 6.248 8.496 1.00 15.54 N ATOM 1036 CZ ARG A 65 9.856 7.074 8.949 1.00 34.00 C ATOM 1037 NH1 ARG A 65 9.639 8.390 9.056 1.00 24.13 N ATOM 1038 NH2 ARG A 65 11.036 6.579 9.284 1.00 20.43 N ATOM 0 H ARG A 65 3.800 7.380 5.026 1.00 61.44 H new ATOM 0 HA ARG A 65 5.907 5.581 4.360 1.00 43.30 H new ATOM 0 HB2 ARG A 65 5.950 7.490 6.036 1.00 13.04 H new ATOM 0 HB3 ARG A 65 4.926 6.534 7.089 1.00 13.04 H new ATOM 0 HG2 ARG A 65 6.696 4.835 7.348 1.00 44.22 H new ATOM 0 HG3 ARG A 65 7.709 5.660 6.181 1.00 44.22 H new ATOM 0 HD2 ARG A 65 7.596 7.719 7.746 1.00 52.45 H new ATOM 0 HD3 ARG A 65 6.881 6.654 8.940 1.00 52.45 H new ATOM 0 HE ARG A 65 9.110 5.253 8.438 1.00 15.54 H new ATOM 0 HH11 ARG A 65 8.734 8.781 8.793 1.00 24.13 H new ATOM 0 HH12 ARG A 65 10.378 9.002 9.401 1.00 24.13 H new ATOM 0 HH21 ARG A 65 11.212 5.578 9.199 1.00 20.43 H new ATOM 0 HH22 ARG A 65 11.770 7.198 9.628 1.00 20.43 H new ATOM 1052 N ARG A 66 3.315 4.405 6.028 1.00 0.15 N ATOM 1053 CA ARG A 66 2.578 3.219 6.498 1.00 62.43 C ATOM 1054 C ARG A 66 2.357 2.235 5.334 1.00 25.42 C ATOM 1055 O ARG A 66 2.626 1.037 5.457 1.00 24.23 O ATOM 1056 CB ARG A 66 1.226 3.684 7.097 1.00 21.31 C ATOM 1057 CG ARG A 66 0.374 2.592 7.763 1.00 70.53 C ATOM 1058 CD ARG A 66 -0.965 3.146 8.288 1.00 20.51 C ATOM 1059 NE ARG A 66 -0.787 4.276 9.226 1.00 4.30 N ATOM 1060 CZ ARG A 66 -0.798 4.184 10.567 1.00 75.14 C ATOM 1061 NH1 ARG A 66 -0.986 3.018 11.183 1.00 53.22 N ATOM 1062 NH2 ARG A 66 -0.600 5.265 11.292 1.00 41.12 N ATOM 0 H ARG A 66 2.788 5.271 6.136 1.00 0.15 H new ATOM 0 HA ARG A 66 3.152 2.700 7.265 1.00 62.43 H new ATOM 0 HB2 ARG A 66 1.426 4.461 7.834 1.00 21.31 H new ATOM 0 HB3 ARG A 66 0.637 4.142 6.302 1.00 21.31 H new ATOM 0 HG2 ARG A 66 0.180 1.795 7.045 1.00 70.53 H new ATOM 0 HG3 ARG A 66 0.932 2.149 8.588 1.00 70.53 H new ATOM 0 HD2 ARG A 66 -1.574 3.472 7.445 1.00 20.51 H new ATOM 0 HD3 ARG A 66 -1.513 2.347 8.788 1.00 20.51 H new ATOM 0 HE ARG A 66 -0.644 5.202 8.822 1.00 4.30 H new ATOM 0 HH11 ARG A 66 -1.126 2.169 10.636 1.00 53.22 H new ATOM 0 HH12 ARG A 66 -0.990 2.974 12.202 1.00 53.22 H new ATOM 0 HH21 ARG A 66 -0.440 6.163 10.835 1.00 41.12 H new ATOM 0 HH22 ARG A 66 -0.607 5.204 12.310 1.00 41.12 H new ATOM 1076 N ALA A 67 1.900 2.787 4.195 1.00 15.24 N ATOM 1077 CA ALA A 67 1.629 2.022 2.971 1.00 72.24 C ATOM 1078 C ALA A 67 2.932 1.629 2.252 1.00 52.24 C ATOM 1079 O ALA A 67 2.980 0.577 1.627 1.00 31.32 O ATOM 1080 CB ALA A 67 0.707 2.823 2.038 1.00 60.31 C ATOM 0 H ALA A 67 1.708 3.784 4.101 1.00 15.24 H new ATOM 0 HA ALA A 67 1.123 1.099 3.253 1.00 72.24 H new ATOM 0 HB1 ALA A 67 0.513 2.245 1.134 1.00 60.31 H new ATOM 0 HB2 ALA A 67 -0.235 3.028 2.546 1.00 60.31 H new ATOM 0 HB3 ALA A 67 1.188 3.764 1.771 1.00 60.31 H new ATOM 1086 N ALA A 68 3.976 2.490 2.362 1.00 20.12 N ATOM 1087 CA ALA A 68 5.297 2.273 1.721 1.00 73.44 C ATOM 1088 C ALA A 68 6.038 1.088 2.353 1.00 14.30 C ATOM 1089 O ALA A 68 6.611 0.246 1.646 1.00 23.53 O ATOM 1090 CB ALA A 68 6.169 3.541 1.833 1.00 63.43 C ATOM 0 H ALA A 68 3.924 3.356 2.899 1.00 20.12 H new ATOM 0 HA ALA A 68 5.116 2.049 0.670 1.00 73.44 H new ATOM 0 HB1 ALA A 68 7.133 3.363 1.357 1.00 63.43 H new ATOM 0 HB2 ALA A 68 5.668 4.372 1.337 1.00 63.43 H new ATOM 0 HB3 ALA A 68 6.322 3.785 2.884 1.00 63.43 H new ATOM 1096 N LYS A 69 6.037 1.070 3.695 1.00 34.44 N ATOM 1097 CA LYS A 69 6.667 0.018 4.493 1.00 62.44 C ATOM 1098 C LYS A 69 5.925 -1.308 4.308 1.00 51.31 C ATOM 1099 O LYS A 69 6.550 -2.324 4.009 1.00 53.03 O ATOM 1100 CB LYS A 69 6.691 0.408 5.983 1.00 13.04 C ATOM 1101 CG LYS A 69 7.615 1.600 6.319 1.00 63.50 C ATOM 1102 CD LYS A 69 7.686 1.904 7.837 1.00 53.22 C ATOM 1103 CE LYS A 69 8.457 0.836 8.644 1.00 0.24 C ATOM 1104 NZ LYS A 69 7.757 -0.474 8.736 1.00 42.05 N ATOM 0 H LYS A 69 5.593 1.795 4.258 1.00 34.44 H new ATOM 0 HA LYS A 69 7.694 -0.103 4.149 1.00 62.44 H new ATOM 0 HB2 LYS A 69 5.676 0.651 6.298 1.00 13.04 H new ATOM 0 HB3 LYS A 69 7.008 -0.456 6.567 1.00 13.04 H new ATOM 0 HG2 LYS A 69 8.619 1.390 5.949 1.00 63.50 H new ATOM 0 HG3 LYS A 69 7.261 2.486 5.793 1.00 63.50 H new ATOM 0 HD2 LYS A 69 8.163 2.873 7.983 1.00 53.22 H new ATOM 0 HD3 LYS A 69 6.673 1.985 8.231 1.00 53.22 H new ATOM 0 HE2 LYS A 69 9.434 0.683 8.185 1.00 0.24 H new ATOM 0 HE3 LYS A 69 8.634 1.214 9.651 1.00 0.24 H new ATOM 0 HZ1 LYS A 69 7.815 -0.831 9.711 1.00 42.05 H new ATOM 0 HZ2 LYS A 69 6.759 -0.354 8.471 1.00 42.05 H new ATOM 0 HZ3 LYS A 69 8.207 -1.154 8.091 1.00 42.05 H new ATOM 1118 N SER A 70 4.579 -1.260 4.459 1.00 63.42 N ATOM 1119 CA SER A 70 3.706 -2.436 4.328 1.00 12.00 C ATOM 1120 C SER A 70 3.765 -3.010 2.896 1.00 1.42 C ATOM 1121 O SER A 70 3.574 -4.217 2.705 1.00 31.02 O ATOM 1122 CB SER A 70 2.254 -2.080 4.728 1.00 60.34 C ATOM 1123 OG SER A 70 1.453 -3.245 4.846 1.00 12.04 O ATOM 0 H SER A 70 4.075 -0.400 4.675 1.00 63.42 H new ATOM 0 HA SER A 70 4.065 -3.208 5.008 1.00 12.00 H new ATOM 0 HB2 SER A 70 2.257 -1.540 5.675 1.00 60.34 H new ATOM 0 HB3 SER A 70 1.822 -1.413 3.982 1.00 60.34 H new ATOM 0 HG SER A 70 0.819 -3.283 4.100 1.00 12.04 H new ATOM 1129 N LEU A 71 4.021 -2.118 1.901 1.00 51.13 N ATOM 1130 CA LEU A 71 4.248 -2.504 0.491 1.00 62.31 C ATOM 1131 C LEU A 71 5.486 -3.410 0.423 1.00 60.35 C ATOM 1132 O LEU A 71 5.402 -4.548 -0.030 1.00 21.43 O ATOM 1133 CB LEU A 71 4.452 -1.232 -0.399 1.00 33.35 C ATOM 1134 CG LEU A 71 3.941 -1.280 -1.878 1.00 24.22 C ATOM 1135 CD1 LEU A 71 4.156 0.077 -2.552 1.00 13.54 C ATOM 1136 CD2 LEU A 71 4.585 -2.402 -2.710 1.00 72.40 C ATOM 0 H LEU A 71 4.075 -1.112 2.060 1.00 51.13 H new ATOM 0 HA LEU A 71 3.378 -3.041 0.113 1.00 62.31 H new ATOM 0 HB2 LEU A 71 3.960 -0.395 0.097 1.00 33.35 H new ATOM 0 HB3 LEU A 71 5.518 -1.008 -0.421 1.00 33.35 H new ATOM 0 HG LEU A 71 2.876 -1.506 -1.834 1.00 24.22 H new ATOM 0 HD11 LEU A 71 3.797 0.033 -3.580 1.00 13.54 H new ATOM 0 HD12 LEU A 71 3.606 0.845 -2.008 1.00 13.54 H new ATOM 0 HD13 LEU A 71 5.218 0.321 -2.548 1.00 13.54 H new ATOM 0 HD21 LEU A 71 4.186 -2.378 -3.724 1.00 72.40 H new ATOM 0 HD22 LEU A 71 5.665 -2.258 -2.741 1.00 72.40 H new ATOM 0 HD23 LEU A 71 4.361 -3.367 -2.255 1.00 72.40 H new ATOM 1148 N LYS A 72 6.608 -2.886 0.958 1.00 33.11 N ATOM 1149 CA LYS A 72 7.923 -3.557 0.983 1.00 51.53 C ATOM 1150 C LYS A 72 7.865 -4.890 1.773 1.00 62.23 C ATOM 1151 O LYS A 72 8.519 -5.885 1.406 1.00 14.51 O ATOM 1152 CB LYS A 72 8.958 -2.552 1.579 1.00 13.12 C ATOM 1153 CG LYS A 72 10.420 -3.063 1.691 1.00 14.51 C ATOM 1154 CD LYS A 72 10.741 -3.736 3.058 1.00 21.33 C ATOM 1155 CE LYS A 72 12.122 -4.402 3.085 1.00 22.01 C ATOM 1156 NZ LYS A 72 12.434 -4.956 4.427 1.00 65.00 N ATOM 0 H LYS A 72 6.625 -1.964 1.394 1.00 33.11 H new ATOM 0 HA LYS A 72 8.229 -3.832 -0.026 1.00 51.53 H new ATOM 0 HB2 LYS A 72 8.955 -1.652 0.964 1.00 13.12 H new ATOM 0 HB3 LYS A 72 8.619 -2.260 2.573 1.00 13.12 H new ATOM 0 HG2 LYS A 72 10.609 -3.778 0.890 1.00 14.51 H new ATOM 0 HG3 LYS A 72 11.101 -2.226 1.538 1.00 14.51 H new ATOM 0 HD2 LYS A 72 10.689 -2.986 3.848 1.00 21.33 H new ATOM 0 HD3 LYS A 72 9.978 -4.483 3.277 1.00 21.33 H new ATOM 0 HE2 LYS A 72 12.156 -5.201 2.344 1.00 22.01 H new ATOM 0 HE3 LYS A 72 12.883 -3.674 2.805 1.00 22.01 H new ATOM 0 HZ1 LYS A 72 13.375 -5.399 4.410 1.00 65.00 H new ATOM 0 HZ2 LYS A 72 12.425 -4.189 5.130 1.00 65.00 H new ATOM 0 HZ3 LYS A 72 11.721 -5.668 4.683 1.00 65.00 H new ATOM 1170 N GLU A 73 7.063 -4.886 2.846 1.00 41.20 N ATOM 1171 CA GLU A 73 6.835 -6.055 3.714 1.00 2.22 C ATOM 1172 C GLU A 73 5.993 -7.112 2.977 1.00 2.25 C ATOM 1173 O GLU A 73 6.156 -8.316 3.206 1.00 2.32 O ATOM 1174 CB GLU A 73 6.159 -5.582 5.031 1.00 14.45 C ATOM 1175 CG GLU A 73 7.091 -4.747 5.948 1.00 15.11 C ATOM 1176 CD GLU A 73 6.367 -4.031 7.105 1.00 22.41 C ATOM 1177 OE1 GLU A 73 5.489 -4.649 7.748 1.00 45.03 O ATOM 1178 OE2 GLU A 73 6.658 -2.837 7.370 1.00 70.51 O ATOM 0 H GLU A 73 6.545 -4.059 3.142 1.00 41.20 H new ATOM 0 HA GLU A 73 7.785 -6.527 3.967 1.00 2.22 H new ATOM 0 HB2 GLU A 73 5.280 -4.987 4.784 1.00 14.45 H new ATOM 0 HB3 GLU A 73 5.809 -6.455 5.582 1.00 14.45 H new ATOM 0 HG2 GLU A 73 7.855 -5.404 6.364 1.00 15.11 H new ATOM 0 HG3 GLU A 73 7.606 -4.002 5.341 1.00 15.11 H new ATOM 1185 N ALA A 74 5.106 -6.645 2.074 1.00 42.34 N ATOM 1186 CA ALA A 74 4.319 -7.521 1.193 1.00 70.24 C ATOM 1187 C ALA A 74 5.207 -8.126 0.089 1.00 40.51 C ATOM 1188 O ALA A 74 4.980 -9.265 -0.307 1.00 34.13 O ATOM 1189 CB ALA A 74 3.128 -6.763 0.573 1.00 25.15 C ATOM 0 H ALA A 74 4.918 -5.652 1.938 1.00 42.34 H new ATOM 0 HA ALA A 74 3.922 -8.334 1.801 1.00 70.24 H new ATOM 0 HB1 ALA A 74 2.565 -7.436 -0.073 1.00 25.15 H new ATOM 0 HB2 ALA A 74 2.478 -6.394 1.367 1.00 25.15 H new ATOM 0 HB3 ALA A 74 3.498 -5.922 -0.013 1.00 25.15 H new ATOM 1195 N ILE A 75 6.230 -7.354 -0.368 1.00 75.12 N ATOM 1196 CA ILE A 75 7.140 -7.768 -1.467 1.00 1.04 C ATOM 1197 C ILE A 75 7.933 -9.015 -1.084 1.00 74.23 C ATOM 1198 O ILE A 75 7.967 -10.011 -1.820 1.00 35.34 O ATOM 1199 CB ILE A 75 8.152 -6.632 -1.874 1.00 31.11 C ATOM 1200 CG1 ILE A 75 7.406 -5.325 -2.258 1.00 0.23 C ATOM 1201 CG2 ILE A 75 9.073 -7.094 -3.026 1.00 32.23 C ATOM 1202 CD1 ILE A 75 6.308 -5.500 -3.272 1.00 55.01 C ATOM 0 H ILE A 75 6.445 -6.433 0.014 1.00 75.12 H new ATOM 0 HA ILE A 75 6.498 -7.982 -2.322 1.00 1.04 H new ATOM 0 HB ILE A 75 8.776 -6.421 -1.005 1.00 31.11 H new ATOM 0 HG12 ILE A 75 6.981 -4.887 -1.355 1.00 0.23 H new ATOM 0 HG13 ILE A 75 8.131 -4.611 -2.648 1.00 0.23 H new ATOM 0 HG21 ILE A 75 9.761 -6.290 -3.286 1.00 32.23 H new ATOM 0 HG22 ILE A 75 9.640 -7.969 -2.709 1.00 32.23 H new ATOM 0 HG23 ILE A 75 8.468 -7.349 -3.896 1.00 32.23 H new ATOM 0 HD11 ILE A 75 5.845 -4.535 -3.477 1.00 55.01 H new ATOM 0 HD12 ILE A 75 6.725 -5.906 -4.194 1.00 55.01 H new ATOM 0 HD13 ILE A 75 5.557 -6.186 -2.881 1.00 55.01 H new ATOM 1214 N THR A 76 8.558 -8.939 0.083 1.00 41.52 N ATOM 1215 CA THR A 76 9.366 -10.026 0.632 1.00 64.53 C ATOM 1216 C THR A 76 8.483 -11.187 1.161 1.00 33.52 C ATOM 1217 O THR A 76 9.005 -12.224 1.576 1.00 41.42 O ATOM 1218 CB THR A 76 10.316 -9.463 1.738 1.00 12.42 C ATOM 1219 OG1 THR A 76 9.552 -8.705 2.701 1.00 25.31 O ATOM 1220 CG2 THR A 76 11.413 -8.557 1.127 1.00 75.21 C ATOM 0 H THR A 76 8.520 -8.115 0.683 1.00 41.52 H new ATOM 0 HA THR A 76 9.976 -10.448 -0.167 1.00 64.53 H new ATOM 0 HB THR A 76 10.799 -10.308 2.229 1.00 12.42 H new ATOM 0 HG1 THR A 76 10.152 -8.356 3.393 1.00 25.31 H new ATOM 0 HG21 THR A 76 12.058 -8.181 1.921 1.00 75.21 H new ATOM 0 HG22 THR A 76 12.008 -9.133 0.419 1.00 75.21 H new ATOM 0 HG23 THR A 76 10.946 -7.718 0.611 1.00 75.21 H new ATOM 1228 N ALA A 77 7.146 -10.993 1.133 1.00 3.41 N ATOM 1229 CA ALA A 77 6.151 -12.028 1.483 1.00 50.03 C ATOM 1230 C ALA A 77 5.407 -12.584 0.238 1.00 2.22 C ATOM 1231 O ALA A 77 4.596 -13.507 0.384 1.00 3.32 O ATOM 1232 CB ALA A 77 5.146 -11.436 2.490 1.00 30.33 C ATOM 0 H ALA A 77 6.724 -10.104 0.864 1.00 3.41 H new ATOM 0 HA ALA A 77 6.681 -12.870 1.929 1.00 50.03 H new ATOM 0 HB1 ALA A 77 4.407 -12.193 2.754 1.00 30.33 H new ATOM 0 HB2 ALA A 77 5.676 -11.117 3.388 1.00 30.33 H new ATOM 0 HB3 ALA A 77 4.643 -10.579 2.041 1.00 30.33 H new ATOM 1238 N ILE A 78 5.667 -12.007 -0.969 1.00 23.24 N ATOM 1239 CA ILE A 78 4.955 -12.389 -2.225 1.00 64.33 C ATOM 1240 C ILE A 78 5.111 -13.903 -2.538 1.00 53.21 C ATOM 1241 O ILE A 78 6.238 -14.401 -2.603 1.00 22.54 O ATOM 1242 CB ILE A 78 5.424 -11.518 -3.476 1.00 65.21 C ATOM 1243 CG1 ILE A 78 4.921 -10.049 -3.343 1.00 51.40 C ATOM 1244 CG2 ILE A 78 4.971 -12.124 -4.834 1.00 75.03 C ATOM 1245 CD1 ILE A 78 5.369 -9.105 -4.448 1.00 65.24 C ATOM 0 H ILE A 78 6.365 -11.275 -1.099 1.00 23.24 H new ATOM 0 HA ILE A 78 3.900 -12.180 -2.050 1.00 64.33 H new ATOM 0 HB ILE A 78 6.514 -11.526 -3.471 1.00 65.21 H new ATOM 0 HG12 ILE A 78 3.831 -10.057 -3.314 1.00 51.40 H new ATOM 0 HG13 ILE A 78 5.262 -9.651 -2.387 1.00 51.40 H new ATOM 0 HG21 ILE A 78 5.318 -11.489 -5.649 1.00 75.03 H new ATOM 0 HG22 ILE A 78 5.394 -13.122 -4.946 1.00 75.03 H new ATOM 0 HG23 ILE A 78 3.883 -12.186 -4.860 1.00 75.03 H new ATOM 0 HD11 ILE A 78 4.966 -8.110 -4.262 1.00 65.24 H new ATOM 0 HD12 ILE A 78 6.458 -9.058 -4.467 1.00 65.24 H new ATOM 0 HD13 ILE A 78 5.005 -9.470 -5.408 1.00 65.24 H new ATOM 1369 N GLU A 86 7.808 -6.953 -10.537 1.00 14.30 N ATOM 1370 CA GLU A 86 6.881 -5.857 -10.897 1.00 71.11 C ATOM 1371 C GLU A 86 6.472 -5.027 -9.661 1.00 62.24 C ATOM 1372 O GLU A 86 6.417 -3.795 -9.713 1.00 41.11 O ATOM 1373 CB GLU A 86 5.630 -6.444 -11.610 1.00 54.21 C ATOM 1374 CG GLU A 86 4.816 -7.448 -10.763 1.00 50.34 C ATOM 1375 CD GLU A 86 3.673 -8.129 -11.523 1.00 3.05 C ATOM 1376 OE1 GLU A 86 2.621 -7.490 -11.724 1.00 54.04 O ATOM 1377 OE2 GLU A 86 3.819 -9.314 -11.920 1.00 12.50 O ATOM 0 HA GLU A 86 7.397 -5.181 -11.579 1.00 71.11 H new ATOM 0 HB2 GLU A 86 4.976 -5.622 -11.902 1.00 54.21 H new ATOM 0 HB3 GLU A 86 5.950 -6.939 -12.527 1.00 54.21 H new ATOM 0 HG2 GLU A 86 5.490 -8.214 -10.381 1.00 50.34 H new ATOM 0 HG3 GLU A 86 4.403 -6.927 -9.899 1.00 50.34 H new ATOM 1384 N ALA A 87 6.209 -5.734 -8.556 1.00 14.14 N ATOM 1385 CA ALA A 87 5.773 -5.127 -7.305 1.00 52.22 C ATOM 1386 C ALA A 87 6.946 -4.475 -6.551 1.00 61.35 C ATOM 1387 O ALA A 87 6.744 -3.484 -5.837 1.00 55.34 O ATOM 1388 CB ALA A 87 5.072 -6.163 -6.442 1.00 12.43 C ATOM 0 H ALA A 87 6.295 -6.749 -8.510 1.00 14.14 H new ATOM 0 HA ALA A 87 5.066 -4.332 -7.540 1.00 52.22 H new ATOM 0 HB1 ALA A 87 4.749 -5.701 -5.509 1.00 12.43 H new ATOM 0 HB2 ALA A 87 4.204 -6.552 -6.974 1.00 12.43 H new ATOM 0 HB3 ALA A 87 5.760 -6.980 -6.224 1.00 12.43 H new ATOM 1394 N LYS A 88 8.162 -5.055 -6.707 1.00 5.51 N ATOM 1395 CA LYS A 88 9.393 -4.558 -6.045 1.00 32.03 C ATOM 1396 C LYS A 88 9.714 -3.138 -6.554 1.00 73.04 C ATOM 1397 O LYS A 88 10.160 -2.278 -5.787 1.00 32.10 O ATOM 1398 CB LYS A 88 10.598 -5.532 -6.311 1.00 11.11 C ATOM 1399 CG LYS A 88 11.618 -5.708 -5.153 1.00 2.11 C ATOM 1400 CD LYS A 88 12.434 -4.440 -4.799 1.00 33.35 C ATOM 1401 CE LYS A 88 13.404 -4.692 -3.632 1.00 25.42 C ATOM 1402 NZ LYS A 88 14.234 -3.500 -3.326 1.00 32.41 N ATOM 0 H LYS A 88 8.316 -5.876 -7.292 1.00 5.51 H new ATOM 0 HA LYS A 88 9.228 -4.519 -4.968 1.00 32.03 H new ATOM 0 HB2 LYS A 88 10.194 -6.513 -6.562 1.00 11.11 H new ATOM 0 HB3 LYS A 88 11.137 -5.175 -7.189 1.00 11.11 H new ATOM 0 HG2 LYS A 88 11.081 -6.036 -4.263 1.00 2.11 H new ATOM 0 HG3 LYS A 88 12.312 -6.506 -5.419 1.00 2.11 H new ATOM 0 HD2 LYS A 88 12.996 -4.113 -5.674 1.00 33.35 H new ATOM 0 HD3 LYS A 88 11.753 -3.631 -4.537 1.00 33.35 H new ATOM 0 HE2 LYS A 88 12.837 -4.975 -2.745 1.00 25.42 H new ATOM 0 HE3 LYS A 88 14.054 -5.532 -3.877 1.00 25.42 H new ATOM 0 HZ1 LYS A 88 14.872 -3.716 -2.534 1.00 32.41 H new ATOM 0 HZ2 LYS A 88 14.795 -3.244 -4.163 1.00 32.41 H new ATOM 0 HZ3 LYS A 88 13.617 -2.704 -3.067 1.00 32.41 H new ATOM 1416 N GLU A 89 9.461 -2.920 -7.863 1.00 61.25 N ATOM 1417 CA GLU A 89 9.636 -1.613 -8.527 1.00 75.52 C ATOM 1418 C GLU A 89 8.735 -0.547 -7.875 1.00 40.53 C ATOM 1419 O GLU A 89 9.136 0.611 -7.702 1.00 55.24 O ATOM 1420 CB GLU A 89 9.314 -1.715 -10.046 1.00 41.44 C ATOM 1421 CG GLU A 89 10.059 -2.833 -10.808 1.00 10.51 C ATOM 1422 CD GLU A 89 11.583 -2.805 -10.606 1.00 73.22 C ATOM 1423 OE1 GLU A 89 12.268 -1.968 -11.234 1.00 2.15 O ATOM 1424 OE2 GLU A 89 12.105 -3.610 -9.807 1.00 44.14 O ATOM 0 H GLU A 89 9.128 -3.651 -8.491 1.00 61.25 H new ATOM 0 HA GLU A 89 10.678 -1.317 -8.409 1.00 75.52 H new ATOM 0 HB2 GLU A 89 8.242 -1.871 -10.163 1.00 41.44 H new ATOM 0 HB3 GLU A 89 9.550 -0.760 -10.515 1.00 41.44 H new ATOM 0 HG2 GLU A 89 9.676 -3.800 -10.483 1.00 10.51 H new ATOM 0 HG3 GLU A 89 9.840 -2.744 -11.872 1.00 10.51 H new ATOM 1431 N MET A 90 7.519 -0.972 -7.511 1.00 34.14 N ATOM 1432 CA MET A 90 6.522 -0.105 -6.867 1.00 42.11 C ATOM 1433 C MET A 90 6.943 0.232 -5.419 1.00 11.42 C ATOM 1434 O MET A 90 6.709 1.348 -4.943 1.00 53.52 O ATOM 1435 CB MET A 90 5.138 -0.795 -6.876 1.00 44.40 C ATOM 1436 CG MET A 90 4.631 -1.223 -8.265 1.00 62.53 C ATOM 1437 SD MET A 90 2.879 -1.682 -8.261 1.00 52.05 S ATOM 1438 CE MET A 90 2.796 -2.837 -6.893 1.00 11.11 C ATOM 0 H MET A 90 7.197 -1.929 -7.655 1.00 34.14 H new ATOM 0 HA MET A 90 6.458 0.827 -7.429 1.00 42.11 H new ATOM 0 HB2 MET A 90 5.184 -1.676 -6.236 1.00 44.40 H new ATOM 0 HB3 MET A 90 4.408 -0.117 -6.433 1.00 44.40 H new ATOM 0 HG2 MET A 90 4.787 -0.407 -8.971 1.00 62.53 H new ATOM 0 HG3 MET A 90 5.222 -2.068 -8.618 1.00 62.53 H new ATOM 0 HE1 MET A 90 2.138 -3.665 -7.156 1.00 11.11 H new ATOM 0 HE2 MET A 90 3.794 -3.220 -6.679 1.00 11.11 H new ATOM 0 HE3 MET A 90 2.406 -2.329 -6.011 1.00 11.11 H new ATOM 1448 N ALA A 91 7.577 -0.751 -4.740 1.00 71.44 N ATOM 1449 CA ALA A 91 8.118 -0.583 -3.374 1.00 54.04 C ATOM 1450 C ALA A 91 9.240 0.471 -3.359 1.00 61.32 C ATOM 1451 O ALA A 91 9.401 1.201 -2.372 1.00 74.12 O ATOM 1452 CB ALA A 91 8.630 -1.927 -2.828 1.00 62.25 C ATOM 0 H ALA A 91 7.727 -1.683 -5.125 1.00 71.44 H new ATOM 0 HA ALA A 91 7.313 -0.233 -2.727 1.00 54.04 H new ATOM 0 HB1 ALA A 91 9.025 -1.784 -1.822 1.00 62.25 H new ATOM 0 HB2 ALA A 91 7.809 -2.644 -2.798 1.00 62.25 H new ATOM 0 HB3 ALA A 91 9.419 -2.306 -3.477 1.00 62.25 H new ATOM 1458 N LYS A 92 10.005 0.534 -4.479 1.00 42.33 N ATOM 1459 CA LYS A 92 11.043 1.560 -4.697 1.00 11.35 C ATOM 1460 C LYS A 92 10.393 2.950 -4.749 1.00 25.14 C ATOM 1461 O LYS A 92 10.851 3.875 -4.079 1.00 54.12 O ATOM 1462 CB LYS A 92 11.829 1.301 -6.012 1.00 60.15 C ATOM 1463 CG LYS A 92 12.544 -0.063 -6.068 1.00 72.21 C ATOM 1464 CD LYS A 92 13.181 -0.346 -7.448 1.00 5.43 C ATOM 1465 CE LYS A 92 13.816 -1.739 -7.533 1.00 41.14 C ATOM 1466 NZ LYS A 92 14.383 -2.014 -8.882 1.00 72.35 N ATOM 0 H LYS A 92 9.915 -0.126 -5.251 1.00 42.33 H new ATOM 0 HA LYS A 92 11.747 1.511 -3.866 1.00 11.35 H new ATOM 0 HB2 LYS A 92 11.139 1.371 -6.853 1.00 60.15 H new ATOM 0 HB3 LYS A 92 12.569 2.091 -6.140 1.00 60.15 H new ATOM 0 HG2 LYS A 92 13.318 -0.095 -5.302 1.00 72.21 H new ATOM 0 HG3 LYS A 92 11.830 -0.853 -5.833 1.00 72.21 H new ATOM 0 HD2 LYS A 92 12.419 -0.251 -8.222 1.00 5.43 H new ATOM 0 HD3 LYS A 92 13.941 0.408 -7.654 1.00 5.43 H new ATOM 0 HE2 LYS A 92 14.604 -1.824 -6.785 1.00 41.14 H new ATOM 0 HE3 LYS A 92 13.067 -2.494 -7.294 1.00 41.14 H new ATOM 0 HZ1 LYS A 92 13.846 -2.781 -9.334 1.00 72.35 H new ATOM 0 HZ2 LYS A 92 14.320 -1.156 -9.467 1.00 72.35 H new ATOM 0 HZ3 LYS A 92 15.379 -2.297 -8.789 1.00 72.35 H new ATOM 1480 N LYS A 93 9.299 3.056 -5.535 1.00 55.53 N ATOM 1481 CA LYS A 93 8.566 4.324 -5.754 1.00 22.14 C ATOM 1482 C LYS A 93 8.005 4.896 -4.447 1.00 53.31 C ATOM 1483 O LYS A 93 8.192 6.080 -4.162 1.00 31.54 O ATOM 1484 CB LYS A 93 7.431 4.127 -6.805 1.00 23.54 C ATOM 1485 CG LYS A 93 7.859 4.408 -8.255 1.00 0.14 C ATOM 1486 CD LYS A 93 8.155 5.915 -8.475 1.00 40.04 C ATOM 1487 CE LYS A 93 8.637 6.241 -9.895 1.00 50.41 C ATOM 1488 NZ LYS A 93 7.657 5.816 -10.926 1.00 20.11 N ATOM 0 H LYS A 93 8.898 2.264 -6.037 1.00 55.53 H new ATOM 0 HA LYS A 93 9.280 5.050 -6.143 1.00 22.14 H new ATOM 0 HB2 LYS A 93 7.063 3.103 -6.738 1.00 23.54 H new ATOM 0 HB3 LYS A 93 6.598 4.782 -6.551 1.00 23.54 H new ATOM 0 HG2 LYS A 93 8.747 3.822 -8.494 1.00 0.14 H new ATOM 0 HG3 LYS A 93 7.072 4.087 -8.937 1.00 0.14 H new ATOM 0 HD2 LYS A 93 7.253 6.489 -8.265 1.00 40.04 H new ATOM 0 HD3 LYS A 93 8.912 6.237 -7.760 1.00 40.04 H new ATOM 0 HE2 LYS A 93 8.812 7.313 -9.981 1.00 50.41 H new ATOM 0 HE3 LYS A 93 9.591 5.747 -10.076 1.00 50.41 H new ATOM 0 HZ1 LYS A 93 7.981 6.130 -11.863 1.00 20.11 H new ATOM 0 HZ2 LYS A 93 7.572 4.779 -10.918 1.00 20.11 H new ATOM 0 HZ3 LYS A 93 6.730 6.241 -10.720 1.00 20.11 H new ATOM 1502 N ALA A 94 7.340 4.030 -3.665 1.00 4.43 N ATOM 1503 CA ALA A 94 6.732 4.400 -2.372 1.00 25.13 C ATOM 1504 C ALA A 94 7.799 4.882 -1.356 1.00 52.41 C ATOM 1505 O ALA A 94 7.537 5.784 -0.546 1.00 31.04 O ATOM 1506 CB ALA A 94 5.936 3.205 -1.821 1.00 31.03 C ATOM 0 H ALA A 94 7.207 3.049 -3.911 1.00 4.43 H new ATOM 0 HA ALA A 94 6.052 5.237 -2.533 1.00 25.13 H new ATOM 0 HB1 ALA A 94 5.486 3.477 -0.866 1.00 31.03 H new ATOM 0 HB2 ALA A 94 5.151 2.934 -2.527 1.00 31.03 H new ATOM 0 HB3 ALA A 94 6.605 2.357 -1.679 1.00 31.03 H new ATOM 1512 N GLU A 95 9.001 4.271 -1.445 1.00 73.43 N ATOM 1513 CA GLU A 95 10.186 4.619 -0.628 1.00 34.12 C ATOM 1514 C GLU A 95 10.709 6.023 -1.042 1.00 52.43 C ATOM 1515 O GLU A 95 11.039 6.847 -0.185 1.00 23.13 O ATOM 1516 CB GLU A 95 11.277 3.510 -0.828 1.00 54.43 C ATOM 1517 CG GLU A 95 12.402 3.419 0.240 1.00 63.33 C ATOM 1518 CD GLU A 95 13.440 4.560 0.207 1.00 12.02 C ATOM 1519 OE1 GLU A 95 14.228 4.632 -0.761 1.00 73.12 O ATOM 1520 OE2 GLU A 95 13.493 5.368 1.163 1.00 22.00 O ATOM 0 H GLU A 95 9.179 3.508 -2.098 1.00 73.43 H new ATOM 0 HA GLU A 95 9.927 4.662 0.430 1.00 34.12 H new ATOM 0 HB2 GLU A 95 10.773 2.544 -0.871 1.00 54.43 H new ATOM 0 HB3 GLU A 95 11.745 3.668 -1.799 1.00 54.43 H new ATOM 0 HG2 GLU A 95 11.941 3.398 1.228 1.00 63.33 H new ATOM 0 HG3 GLU A 95 12.925 2.471 0.112 1.00 63.33 H new ATOM 1527 N GLU A 96 10.732 6.277 -2.372 1.00 55.12 N ATOM 1528 CA GLU A 96 11.218 7.549 -2.972 1.00 21.10 C ATOM 1529 C GLU A 96 10.272 8.718 -2.676 1.00 73.34 C ATOM 1530 O GLU A 96 10.719 9.865 -2.550 1.00 12.44 O ATOM 1531 CB GLU A 96 11.384 7.391 -4.504 1.00 63.33 C ATOM 1532 CG GLU A 96 12.503 6.426 -4.909 1.00 15.12 C ATOM 1533 CD GLU A 96 12.513 6.120 -6.409 1.00 12.13 C ATOM 1534 OE1 GLU A 96 13.047 6.939 -7.193 1.00 64.23 O ATOM 1535 OE2 GLU A 96 11.979 5.066 -6.815 1.00 43.30 O ATOM 0 H GLU A 96 10.412 5.602 -3.066 1.00 55.12 H new ATOM 0 HA GLU A 96 12.184 7.773 -2.519 1.00 21.10 H new ATOM 0 HB2 GLU A 96 10.443 7.040 -4.928 1.00 63.33 H new ATOM 0 HB3 GLU A 96 11.585 8.369 -4.941 1.00 63.33 H new ATOM 0 HG2 GLU A 96 13.465 6.853 -4.624 1.00 15.12 H new ATOM 0 HG3 GLU A 96 12.391 5.494 -4.354 1.00 15.12 H new ATOM 1542 N TRP A 97 8.965 8.408 -2.585 1.00 15.14 N ATOM 1543 CA TRP A 97 7.932 9.395 -2.237 1.00 14.35 C ATOM 1544 C TRP A 97 8.133 9.856 -0.797 1.00 40.24 C ATOM 1545 O TRP A 97 8.057 11.048 -0.513 1.00 44.15 O ATOM 1546 CB TRP A 97 6.508 8.812 -2.443 1.00 24.51 C ATOM 1547 CG TRP A 97 6.178 8.476 -3.875 1.00 62.52 C ATOM 1548 CD1 TRP A 97 6.803 8.939 -4.999 1.00 11.22 C ATOM 1549 CD2 TRP A 97 5.129 7.622 -4.338 1.00 60.30 C ATOM 1550 NE1 TRP A 97 6.226 8.410 -6.118 1.00 42.13 N ATOM 1551 CE2 TRP A 97 5.196 7.602 -5.741 1.00 74.25 C ATOM 1552 CE3 TRP A 97 4.145 6.869 -3.698 1.00 72.04 C ATOM 1553 CZ2 TRP A 97 4.325 6.862 -6.513 1.00 62.12 C ATOM 1554 CZ3 TRP A 97 3.279 6.132 -4.467 1.00 3.03 C ATOM 1555 CH2 TRP A 97 3.376 6.136 -5.863 1.00 63.25 C ATOM 0 H TRP A 97 8.599 7.470 -2.750 1.00 15.14 H new ATOM 0 HA TRP A 97 8.028 10.254 -2.900 1.00 14.35 H new ATOM 0 HB2 TRP A 97 6.405 7.911 -1.838 1.00 24.51 H new ATOM 0 HB3 TRP A 97 5.777 9.530 -2.072 1.00 24.51 H new ATOM 0 HD1 TRP A 97 7.636 9.626 -5.002 1.00 11.22 H new ATOM 0 HE1 TRP A 97 6.518 8.590 -7.078 1.00 42.13 H new ATOM 0 HE3 TRP A 97 4.066 6.866 -2.621 1.00 72.04 H new ATOM 0 HZ2 TRP A 97 4.394 6.859 -7.591 1.00 62.12 H new ATOM 0 HZ3 TRP A 97 2.512 5.541 -3.988 1.00 3.03 H new ATOM 0 HH2 TRP A 97 2.679 5.547 -6.440 1.00 63.25 H new ATOM 1566 N LEU A 98 8.442 8.885 0.087 1.00 32.45 N ATOM 1567 CA LEU A 98 8.757 9.144 1.498 1.00 2.22 C ATOM 1568 C LEU A 98 9.998 10.064 1.626 1.00 62.34 C ATOM 1569 O LEU A 98 10.011 10.979 2.456 1.00 32.43 O ATOM 1570 CB LEU A 98 8.991 7.802 2.236 1.00 1.33 C ATOM 1571 CG LEU A 98 9.252 7.911 3.768 1.00 1.43 C ATOM 1572 CD1 LEU A 98 8.056 8.569 4.485 1.00 2.32 C ATOM 1573 CD2 LEU A 98 9.603 6.534 4.376 1.00 75.24 C ATOM 0 H LEU A 98 8.479 7.897 -0.164 1.00 32.45 H new ATOM 0 HA LEU A 98 7.913 9.658 1.958 1.00 2.22 H new ATOM 0 HB2 LEU A 98 8.120 7.165 2.079 1.00 1.33 H new ATOM 0 HB3 LEU A 98 9.841 7.299 1.776 1.00 1.33 H new ATOM 0 HG LEU A 98 10.117 8.556 3.919 1.00 1.43 H new ATOM 0 HD11 LEU A 98 8.263 8.634 5.553 1.00 2.32 H new ATOM 0 HD12 LEU A 98 7.898 9.570 4.085 1.00 2.32 H new ATOM 0 HD13 LEU A 98 7.160 7.969 4.324 1.00 2.32 H new ATOM 0 HD21 LEU A 98 9.780 6.643 5.446 1.00 75.24 H new ATOM 0 HD22 LEU A 98 8.776 5.843 4.213 1.00 75.24 H new ATOM 0 HD23 LEU A 98 10.501 6.144 3.898 1.00 75.24 H new ATOM 1585 N GLN A 99 11.030 9.807 0.785 1.00 13.25 N ATOM 1586 CA GLN A 99 12.264 10.632 0.720 1.00 0.41 C ATOM 1587 C GLN A 99 11.943 12.076 0.283 1.00 64.51 C ATOM 1588 O GLN A 99 12.437 13.042 0.881 1.00 61.53 O ATOM 1589 CB GLN A 99 13.286 10.017 -0.275 1.00 33.05 C ATOM 1590 CG GLN A 99 13.834 8.638 0.125 1.00 5.22 C ATOM 1591 CD GLN A 99 14.840 8.088 -0.887 1.00 74.25 C ATOM 1592 OE1 GLN A 99 14.733 8.337 -2.090 1.00 54.51 O ATOM 1593 NE2 GLN A 99 15.826 7.345 -0.415 1.00 52.23 N ATOM 0 H GLN A 99 11.031 9.023 0.133 1.00 13.25 H new ATOM 0 HA GLN A 99 12.697 10.649 1.720 1.00 0.41 H new ATOM 0 HB2 GLN A 99 12.812 9.933 -1.253 1.00 33.05 H new ATOM 0 HB3 GLN A 99 14.123 10.706 -0.384 1.00 33.05 H new ATOM 0 HG2 GLN A 99 14.311 8.710 1.103 1.00 5.22 H new ATOM 0 HG3 GLN A 99 13.005 7.937 0.225 1.00 5.22 H new ATOM 0 HE21 GLN A 99 15.888 7.156 0.585 1.00 52.23 H new ATOM 0 HE22 GLN A 99 16.524 6.961 -1.051 1.00 52.23 H new ATOM 1602 N ALA A 100 11.095 12.187 -0.757 1.00 43.51 N ATOM 1603 CA ALA A 100 10.731 13.466 -1.391 1.00 51.10 C ATOM 1604 C ALA A 100 9.904 14.350 -0.443 1.00 62.25 C ATOM 1605 O ALA A 100 9.958 15.579 -0.531 1.00 23.23 O ATOM 1606 CB ALA A 100 9.958 13.205 -2.696 1.00 12.52 C ATOM 0 H ALA A 100 10.639 11.381 -1.185 1.00 43.51 H new ATOM 0 HA ALA A 100 11.651 14.003 -1.622 1.00 51.10 H new ATOM 0 HB1 ALA A 100 9.693 14.156 -3.158 1.00 12.52 H new ATOM 0 HB2 ALA A 100 10.583 12.631 -3.380 1.00 12.52 H new ATOM 0 HB3 ALA A 100 9.050 12.643 -2.475 1.00 12.52 H new ATOM 1612 N GLU A 101 9.119 13.699 0.432 1.00 74.20 N ATOM 1613 CA GLU A 101 8.317 14.376 1.463 1.00 3.35 C ATOM 1614 C GLU A 101 9.210 14.874 2.612 1.00 55.02 C ATOM 1615 O GLU A 101 9.027 15.990 3.118 1.00 13.22 O ATOM 1616 CB GLU A 101 7.233 13.410 2.001 1.00 62.52 C ATOM 1617 CG GLU A 101 6.144 13.034 0.981 1.00 4.13 C ATOM 1618 CD GLU A 101 5.370 14.240 0.458 1.00 20.50 C ATOM 1619 OE1 GLU A 101 4.649 14.869 1.251 1.00 21.51 O ATOM 1620 OE2 GLU A 101 5.485 14.585 -0.739 1.00 21.31 O ATOM 0 H GLU A 101 9.023 12.684 0.443 1.00 74.20 H new ATOM 0 HA GLU A 101 7.832 15.243 1.014 1.00 3.35 H new ATOM 0 HB2 GLU A 101 7.718 12.497 2.347 1.00 62.52 H new ATOM 0 HB3 GLU A 101 6.757 13.867 2.869 1.00 62.52 H new ATOM 0 HG2 GLU A 101 6.605 12.514 0.141 1.00 4.13 H new ATOM 0 HG3 GLU A 101 5.447 12.336 1.444 1.00 4.13 H new