USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 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 -11:sc= 0.638 USER MOD Set 1.2: A 70 SER OG : rot 80:sc= 1.52 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.178 (180deg=-0.773) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= -0.0385 (180deg=-0.774) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 0.545 (180deg=0.357) USER MOD Single : A 38 MET CE :methyl 178:sc= -2.35! (180deg=-2.43!) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= 1.01 (180deg=-0.0941) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.0987 K(o=0.099,f=-0.84) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc=-0.00866 (180deg=-0.0536) USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= -0.087 (180deg=-2.45!) USER MOD Single : A 76 THR OG1 : rot 13:sc= 0.144 USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -0.0294 (180deg=-0.264) USER MOD Single : A 90 MET CE :methyl -159:sc= -1.95 (180deg=-2.75) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= -0.011 (180deg=-0.093) USER MOD Single : A 99 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -10.165 8.899 1.508 1.00 42.35 N ATOM 369 CA MET A 24 -9.851 7.549 0.996 1.00 61.21 C ATOM 370 C MET A 24 -8.347 7.266 1.169 1.00 72.13 C ATOM 371 O MET A 24 -7.720 7.815 2.081 1.00 75.22 O ATOM 372 CB MET A 24 -10.312 7.472 -0.486 1.00 41.53 C ATOM 373 CG MET A 24 -11.833 7.347 -0.676 1.00 61.55 C ATOM 374 SD MET A 24 -12.353 7.739 -2.357 1.00 73.14 S ATOM 375 CE MET A 24 -11.965 9.492 -2.445 1.00 55.22 C ATOM 0 HA MET A 24 -10.380 6.778 1.556 1.00 61.21 H new ATOM 0 HB2 MET A 24 -9.966 8.364 -1.008 1.00 41.53 H new ATOM 0 HB3 MET A 24 -9.828 6.618 -0.960 1.00 41.53 H new ATOM 0 HG2 MET A 24 -12.144 6.332 -0.430 1.00 61.55 H new ATOM 0 HG3 MET A 24 -12.339 8.014 0.022 1.00 61.55 H new ATOM 0 HE1 MET A 24 -12.586 9.964 -3.206 1.00 55.22 H new ATOM 0 HE2 MET A 24 -12.159 9.957 -1.478 1.00 55.22 H new ATOM 0 HE3 MET A 24 -10.914 9.619 -2.704 1.00 55.22 H new ATOM 385 N GLY A 25 -7.782 6.382 0.323 1.00 72.22 N ATOM 386 CA GLY A 25 -6.362 6.023 0.397 1.00 71.54 C ATOM 387 C GLY A 25 -6.131 4.876 1.357 1.00 63.42 C ATOM 388 O GLY A 25 -5.713 3.786 0.952 1.00 23.03 O ATOM 0 H GLY A 25 -8.294 5.905 -0.420 1.00 72.22 H new ATOM 0 HA2 GLY A 25 -6.003 5.747 -0.595 1.00 71.54 H new ATOM 0 HA3 GLY A 25 -5.782 6.889 0.717 1.00 71.54 H new ATOM 392 N ARG A 26 -6.455 5.127 2.645 1.00 11.21 N ATOM 393 CA ARG A 26 -6.367 4.118 3.712 1.00 0.14 C ATOM 394 C ARG A 26 -7.356 2.973 3.457 1.00 33.53 C ATOM 395 O ARG A 26 -7.170 1.876 3.964 1.00 30.33 O ATOM 396 CB ARG A 26 -6.617 4.758 5.109 1.00 21.14 C ATOM 397 CG ARG A 26 -6.301 3.823 6.307 1.00 61.30 C ATOM 398 CD ARG A 26 -6.686 4.428 7.666 1.00 74.04 C ATOM 399 NE ARG A 26 -6.279 3.546 8.782 1.00 53.55 N ATOM 400 CZ ARG A 26 -7.102 2.984 9.689 1.00 14.51 C ATOM 401 NH1 ARG A 26 -8.418 3.178 9.643 1.00 3.44 N ATOM 402 NH2 ARG A 26 -6.590 2.241 10.656 1.00 64.05 N ATOM 0 H ARG A 26 -6.784 6.036 2.969 1.00 11.21 H new ATOM 0 HA ARG A 26 -5.357 3.708 3.705 1.00 0.14 H new ATOM 0 HB2 ARG A 26 -6.010 5.659 5.197 1.00 21.14 H new ATOM 0 HB3 ARG A 26 -7.660 5.069 5.172 1.00 21.14 H new ATOM 0 HG2 ARG A 26 -6.831 2.880 6.173 1.00 61.30 H new ATOM 0 HG3 ARG A 26 -5.236 3.592 6.308 1.00 61.30 H new ATOM 0 HD2 ARG A 26 -6.213 5.403 7.779 1.00 74.04 H new ATOM 0 HD3 ARG A 26 -7.763 4.590 7.702 1.00 74.04 H new ATOM 0 HE ARG A 26 -5.283 3.345 8.873 1.00 53.55 H new ATOM 0 HH11 ARG A 26 -8.822 3.762 8.911 1.00 3.44 H new ATOM 0 HH12 ARG A 26 -9.022 2.743 10.340 1.00 3.44 H new ATOM 0 HH21 ARG A 26 -5.581 2.098 10.710 1.00 64.05 H new ATOM 0 HH22 ARG A 26 -7.204 1.811 11.348 1.00 64.05 H new ATOM 416 N ALA A 27 -8.410 3.253 2.667 1.00 31.30 N ATOM 417 CA ALA A 27 -9.371 2.238 2.236 1.00 65.13 C ATOM 418 C ALA A 27 -8.700 1.181 1.345 1.00 61.43 C ATOM 419 O ALA A 27 -8.886 -0.006 1.584 1.00 42.51 O ATOM 420 CB ALA A 27 -10.560 2.887 1.532 1.00 54.31 C ATOM 0 H ALA A 27 -8.613 4.188 2.314 1.00 31.30 H new ATOM 0 HA ALA A 27 -9.745 1.726 3.123 1.00 65.13 H new ATOM 0 HB1 ALA A 27 -11.263 2.115 1.219 1.00 54.31 H new ATOM 0 HB2 ALA A 27 -11.057 3.575 2.216 1.00 54.31 H new ATOM 0 HB3 ALA A 27 -10.210 3.435 0.657 1.00 54.31 H new ATOM 426 N LEU A 28 -7.893 1.620 0.335 1.00 75.32 N ATOM 427 CA LEU A 28 -7.152 0.679 -0.533 1.00 23.32 C ATOM 428 C LEU A 28 -6.070 -0.061 0.273 1.00 11.22 C ATOM 429 O LEU A 28 -5.833 -1.248 0.067 1.00 31.24 O ATOM 430 CB LEU A 28 -6.521 1.361 -1.779 1.00 60.53 C ATOM 431 CG LEU A 28 -7.506 1.656 -2.943 1.00 33.43 C ATOM 432 CD1 LEU A 28 -6.798 2.323 -4.128 1.00 1.54 C ATOM 433 CD2 LEU A 28 -8.265 0.398 -3.390 1.00 31.13 C ATOM 0 H LEU A 28 -7.746 2.604 0.111 1.00 75.32 H new ATOM 0 HA LEU A 28 -7.885 -0.037 -0.905 1.00 23.32 H new ATOM 0 HB2 LEU A 28 -6.062 2.299 -1.466 1.00 60.53 H new ATOM 0 HB3 LEU A 28 -5.720 0.724 -2.155 1.00 60.53 H new ATOM 0 HG LEU A 28 -8.244 2.360 -2.557 1.00 33.43 H new ATOM 0 HD11 LEU A 28 -7.520 2.514 -4.922 1.00 1.54 H new ATOM 0 HD12 LEU A 28 -6.357 3.266 -3.804 1.00 1.54 H new ATOM 0 HD13 LEU A 28 -6.014 1.664 -4.501 1.00 1.54 H new ATOM 0 HD21 LEU A 28 -8.942 0.652 -4.206 1.00 31.13 H new ATOM 0 HD22 LEU A 28 -7.554 -0.355 -3.730 1.00 31.13 H new ATOM 0 HD23 LEU A 28 -8.839 0.002 -2.552 1.00 31.13 H new ATOM 445 N TYR A 29 -5.423 0.686 1.190 1.00 53.10 N ATOM 446 CA TYR A 29 -4.442 0.152 2.151 1.00 43.45 C ATOM 447 C TYR A 29 -5.062 -0.982 3.008 1.00 12.43 C ATOM 448 O TYR A 29 -4.437 -2.024 3.225 1.00 41.21 O ATOM 449 CB TYR A 29 -3.927 1.310 3.052 1.00 13.15 C ATOM 450 CG TYR A 29 -2.974 0.876 4.166 1.00 75.13 C ATOM 451 CD1 TYR A 29 -1.660 0.525 3.871 1.00 24.11 C ATOM 452 CD2 TYR A 29 -3.390 0.795 5.502 1.00 52.24 C ATOM 453 CE1 TYR A 29 -0.797 0.113 4.856 1.00 51.14 C ATOM 454 CE2 TYR A 29 -2.523 0.377 6.490 1.00 73.12 C ATOM 455 CZ TYR A 29 -1.232 0.039 6.160 1.00 55.45 C ATOM 456 OH TYR A 29 -0.370 -0.407 7.138 1.00 72.23 O ATOM 0 H TYR A 29 -5.571 1.691 1.284 1.00 53.10 H new ATOM 0 HA TYR A 29 -3.603 -0.277 1.603 1.00 43.45 H new ATOM 0 HB2 TYR A 29 -3.421 2.043 2.424 1.00 13.15 H new ATOM 0 HB3 TYR A 29 -4.784 1.812 3.501 1.00 13.15 H new ATOM 0 HD1 TYR A 29 -1.313 0.578 2.850 1.00 24.11 H new ATOM 0 HD2 TYR A 29 -4.403 1.064 5.761 1.00 52.24 H new ATOM 0 HE1 TYR A 29 0.220 -0.152 4.609 1.00 51.14 H new ATOM 0 HE2 TYR A 29 -2.856 0.316 7.516 1.00 73.12 H new ATOM 0 HH TYR A 29 0.428 -0.792 6.720 1.00 72.23 H new ATOM 466 N ASN A 30 -6.307 -0.753 3.451 1.00 11.12 N ATOM 467 CA ASN A 30 -7.038 -1.654 4.364 1.00 15.50 C ATOM 468 C ASN A 30 -7.455 -2.943 3.629 1.00 71.24 C ATOM 469 O ASN A 30 -7.400 -4.035 4.198 1.00 13.33 O ATOM 470 CB ASN A 30 -8.273 -0.916 4.946 1.00 5.21 C ATOM 471 CG ASN A 30 -8.862 -1.609 6.170 1.00 51.31 C ATOM 472 OD1 ASN A 30 -9.751 -2.449 6.055 1.00 63.32 O ATOM 473 ND2 ASN A 30 -8.354 -1.277 7.359 1.00 61.03 N ATOM 0 H ASN A 30 -6.844 0.072 3.184 1.00 11.12 H new ATOM 0 HA ASN A 30 -6.384 -1.940 5.188 1.00 15.50 H new ATOM 0 HB2 ASN A 30 -7.988 0.101 5.214 1.00 5.21 H new ATOM 0 HB3 ASN A 30 -9.040 -0.840 4.175 1.00 5.21 H new ATOM 0 HD21 ASN A 30 -8.704 -1.725 8.206 1.00 61.03 H new ATOM 0 HD22 ASN A 30 -7.616 -0.575 7.420 1.00 61.03 H new ATOM 480 N ILE A 31 -7.860 -2.779 2.347 1.00 70.11 N ATOM 481 CA ILE A 31 -8.148 -3.899 1.430 1.00 32.01 C ATOM 482 C ILE A 31 -6.873 -4.747 1.233 1.00 52.44 C ATOM 483 O ILE A 31 -6.932 -5.981 1.222 1.00 40.41 O ATOM 484 CB ILE A 31 -8.667 -3.388 0.022 1.00 22.33 C ATOM 485 CG1 ILE A 31 -10.010 -2.601 0.161 1.00 41.34 C ATOM 486 CG2 ILE A 31 -8.828 -4.558 -0.975 1.00 3.13 C ATOM 487 CD1 ILE A 31 -10.508 -1.951 -1.127 1.00 60.12 C ATOM 0 H ILE A 31 -7.995 -1.862 1.922 1.00 70.11 H new ATOM 0 HA ILE A 31 -8.936 -4.504 1.878 1.00 32.01 H new ATOM 0 HB ILE A 31 -7.913 -2.706 -0.371 1.00 22.33 H new ATOM 0 HG12 ILE A 31 -10.778 -3.282 0.528 1.00 41.34 H new ATOM 0 HG13 ILE A 31 -9.884 -1.826 0.917 1.00 41.34 H new ATOM 0 HG21 ILE A 31 -9.185 -4.175 -1.931 1.00 3.13 H new ATOM 0 HG22 ILE A 31 -7.866 -5.049 -1.118 1.00 3.13 H new ATOM 0 HG23 ILE A 31 -9.547 -5.276 -0.580 1.00 3.13 H new ATOM 0 HD11 ILE A 31 -11.445 -1.428 -0.932 1.00 60.12 H new ATOM 0 HD12 ILE A 31 -9.764 -1.240 -1.487 1.00 60.12 H new ATOM 0 HD13 ILE A 31 -10.672 -2.719 -1.883 1.00 60.12 H new ATOM 499 N GLY A 32 -5.729 -4.043 1.081 1.00 51.54 N ATOM 500 CA GLY A 32 -4.416 -4.667 0.941 1.00 70.25 C ATOM 501 C GLY A 32 -4.037 -5.519 2.146 1.00 72.41 C ATOM 502 O GLY A 32 -3.407 -6.565 1.990 1.00 62.43 O ATOM 0 H GLY A 32 -5.702 -3.024 1.053 1.00 51.54 H new ATOM 0 HA2 GLY A 32 -4.407 -5.288 0.045 1.00 70.25 H new ATOM 0 HA3 GLY A 32 -3.663 -3.892 0.799 1.00 70.25 H new ATOM 506 N LEU A 33 -4.428 -5.057 3.349 1.00 72.12 N ATOM 507 CA LEU A 33 -4.212 -5.793 4.606 1.00 4.12 C ATOM 508 C LEU A 33 -5.084 -7.061 4.639 1.00 32.33 C ATOM 509 O LEU A 33 -4.609 -8.128 5.024 1.00 2.31 O ATOM 510 CB LEU A 33 -4.537 -4.896 5.830 1.00 72.31 C ATOM 511 CG LEU A 33 -3.623 -3.652 6.053 1.00 50.01 C ATOM 512 CD1 LEU A 33 -4.124 -2.823 7.251 1.00 50.51 C ATOM 513 CD2 LEU A 33 -2.146 -4.054 6.242 1.00 34.31 C ATOM 0 H LEU A 33 -4.902 -4.163 3.475 1.00 72.12 H new ATOM 0 HA LEU A 33 -3.162 -6.082 4.655 1.00 4.12 H new ATOM 0 HB2 LEU A 33 -5.566 -4.549 5.733 1.00 72.31 H new ATOM 0 HB3 LEU A 33 -4.493 -5.515 6.726 1.00 72.31 H new ATOM 0 HG LEU A 33 -3.678 -3.036 5.156 1.00 50.01 H new ATOM 0 HD11 LEU A 33 -3.475 -1.959 7.392 1.00 50.51 H new ATOM 0 HD12 LEU A 33 -5.142 -2.484 7.059 1.00 50.51 H new ATOM 0 HD13 LEU A 33 -4.110 -3.438 8.151 1.00 50.51 H new ATOM 0 HD21 LEU A 33 -1.542 -3.159 6.394 1.00 34.31 H new ATOM 0 HD22 LEU A 33 -2.055 -4.706 7.111 1.00 34.31 H new ATOM 0 HD23 LEU A 33 -1.796 -4.581 5.354 1.00 34.31 H new ATOM 525 N GLU A 34 -6.358 -6.918 4.225 1.00 5.52 N ATOM 526 CA GLU A 34 -7.323 -8.036 4.166 1.00 32.54 C ATOM 527 C GLU A 34 -6.864 -9.112 3.162 1.00 20.52 C ATOM 528 O GLU A 34 -7.103 -10.306 3.364 1.00 62.33 O ATOM 529 CB GLU A 34 -8.738 -7.516 3.793 1.00 51.54 C ATOM 530 CG GLU A 34 -9.383 -6.587 4.844 1.00 61.53 C ATOM 531 CD GLU A 34 -9.532 -7.240 6.233 1.00 2.41 C ATOM 532 OE1 GLU A 34 -10.334 -8.194 6.376 1.00 54.43 O ATOM 533 OE2 GLU A 34 -8.836 -6.825 7.185 1.00 12.23 O ATOM 0 H GLU A 34 -6.748 -6.026 3.922 1.00 5.52 H new ATOM 0 HA GLU A 34 -7.369 -8.493 5.155 1.00 32.54 H new ATOM 0 HB2 GLU A 34 -8.675 -6.981 2.845 1.00 51.54 H new ATOM 0 HB3 GLU A 34 -9.394 -8.372 3.633 1.00 51.54 H new ATOM 0 HG2 GLU A 34 -8.780 -5.684 4.939 1.00 61.53 H new ATOM 0 HG3 GLU A 34 -10.366 -6.278 4.489 1.00 61.53 H new ATOM 540 N LYS A 35 -6.199 -8.663 2.084 1.00 14.44 N ATOM 541 CA LYS A 35 -5.610 -9.548 1.069 1.00 74.43 C ATOM 542 C LYS A 35 -4.360 -10.246 1.620 1.00 32.20 C ATOM 543 O LYS A 35 -4.231 -11.464 1.501 1.00 24.43 O ATOM 544 CB LYS A 35 -5.319 -8.744 -0.221 1.00 61.31 C ATOM 545 CG LYS A 35 -6.604 -8.433 -1.017 1.00 4.11 C ATOM 546 CD LYS A 35 -6.355 -7.571 -2.253 1.00 0.53 C ATOM 547 CE LYS A 35 -7.608 -7.444 -3.138 1.00 54.32 C ATOM 548 NZ LYS A 35 -8.041 -8.757 -3.701 1.00 50.13 N ATOM 0 H LYS A 35 -6.055 -7.671 1.893 1.00 14.44 H new ATOM 0 HA LYS A 35 -6.320 -10.334 0.814 1.00 74.43 H new ATOM 0 HB2 LYS A 35 -4.820 -7.810 0.040 1.00 61.31 H new ATOM 0 HB3 LYS A 35 -4.631 -9.308 -0.851 1.00 61.31 H new ATOM 0 HG2 LYS A 35 -7.069 -9.370 -1.324 1.00 4.11 H new ATOM 0 HG3 LYS A 35 -7.313 -7.924 -0.364 1.00 4.11 H new ATOM 0 HD2 LYS A 35 -6.031 -6.578 -1.942 1.00 0.53 H new ATOM 0 HD3 LYS A 35 -5.542 -8.003 -2.837 1.00 0.53 H new ATOM 0 HE2 LYS A 35 -8.422 -7.017 -2.552 1.00 54.32 H new ATOM 0 HE3 LYS A 35 -7.405 -6.751 -3.954 1.00 54.32 H new ATOM 0 HZ1 LYS A 35 -8.120 -8.682 -4.735 1.00 50.13 H new ATOM 0 HZ2 LYS A 35 -7.340 -9.487 -3.459 1.00 50.13 H new ATOM 0 HZ3 LYS A 35 -8.965 -9.018 -3.302 1.00 50.13 H new ATOM 562 N ASN A 36 -3.485 -9.464 2.276 1.00 75.32 N ATOM 563 CA ASN A 36 -2.239 -9.972 2.900 1.00 70.24 C ATOM 564 C ASN A 36 -2.571 -11.040 3.973 1.00 30.31 C ATOM 565 O ASN A 36 -1.844 -12.019 4.138 1.00 14.51 O ATOM 566 CB ASN A 36 -1.437 -8.785 3.511 1.00 74.13 C ATOM 567 CG ASN A 36 -0.027 -9.169 3.989 1.00 31.41 C ATOM 568 OD1 ASN A 36 0.179 -9.554 5.139 1.00 44.12 O ATOM 569 ND2 ASN A 36 0.950 -9.074 3.101 1.00 33.12 N ATOM 0 H ASN A 36 -3.617 -8.459 2.392 1.00 75.32 H new ATOM 0 HA ASN A 36 -1.621 -10.448 2.139 1.00 70.24 H new ATOM 0 HB2 ASN A 36 -1.355 -7.993 2.767 1.00 74.13 H new ATOM 0 HB3 ASN A 36 -1.997 -8.375 4.352 1.00 74.13 H new ATOM 0 HD21 ASN A 36 1.904 -9.323 3.363 1.00 33.12 H new ATOM 0 HD22 ASN A 36 0.749 -8.752 2.154 1.00 33.12 H new ATOM 576 N LYS A 37 -3.727 -10.836 4.647 1.00 13.24 N ATOM 577 CA LYS A 37 -4.289 -11.750 5.664 1.00 61.51 C ATOM 578 C LYS A 37 -4.648 -13.119 5.042 1.00 43.11 C ATOM 579 O LYS A 37 -4.435 -14.172 5.655 1.00 24.21 O ATOM 580 CB LYS A 37 -5.549 -11.095 6.288 1.00 61.54 C ATOM 581 CG LYS A 37 -6.232 -11.914 7.407 1.00 52.32 C ATOM 582 CD LYS A 37 -7.600 -11.325 7.822 1.00 72.23 C ATOM 583 CE LYS A 37 -7.520 -9.877 8.327 1.00 61.45 C ATOM 584 NZ LYS A 37 -8.863 -9.345 8.686 1.00 22.04 N ATOM 0 H LYS A 37 -4.307 -10.011 4.494 1.00 13.24 H new ATOM 0 HA LYS A 37 -3.542 -11.924 6.438 1.00 61.51 H new ATOM 0 HB2 LYS A 37 -5.271 -10.121 6.691 1.00 61.54 H new ATOM 0 HB3 LYS A 37 -6.276 -10.916 5.496 1.00 61.54 H new ATOM 0 HG2 LYS A 37 -6.370 -12.941 7.068 1.00 52.32 H new ATOM 0 HG3 LYS A 37 -5.577 -11.951 8.277 1.00 52.32 H new ATOM 0 HD2 LYS A 37 -8.277 -11.366 6.969 1.00 72.23 H new ATOM 0 HD3 LYS A 37 -8.033 -11.950 8.603 1.00 72.23 H new ATOM 0 HE2 LYS A 37 -6.865 -9.831 9.197 1.00 61.45 H new ATOM 0 HE3 LYS A 37 -7.073 -9.247 7.558 1.00 61.45 H new ATOM 0 HZ1 LYS A 37 -8.904 -8.329 8.466 1.00 22.04 H new ATOM 0 HZ2 LYS A 37 -9.592 -9.847 8.140 1.00 22.04 H new ATOM 0 HZ3 LYS A 37 -9.032 -9.487 9.702 1.00 22.04 H new ATOM 598 N MET A 38 -5.177 -13.084 3.800 1.00 4.35 N ATOM 599 CA MET A 38 -5.559 -14.292 3.038 1.00 20.30 C ATOM 600 C MET A 38 -4.343 -14.906 2.308 1.00 51.43 C ATOM 601 O MET A 38 -4.507 -15.840 1.515 1.00 41.01 O ATOM 602 CB MET A 38 -6.666 -13.942 1.998 1.00 13.34 C ATOM 603 CG MET A 38 -7.973 -13.395 2.594 1.00 70.33 C ATOM 604 SD MET A 38 -9.230 -13.048 1.334 1.00 64.24 S ATOM 605 CE MET A 38 -8.354 -11.957 0.203 1.00 43.11 C ATOM 0 H MET A 38 -5.352 -12.214 3.296 1.00 4.35 H new ATOM 0 HA MET A 38 -5.940 -15.025 3.748 1.00 20.30 H new ATOM 0 HB2 MET A 38 -6.267 -13.206 1.300 1.00 13.34 H new ATOM 0 HB3 MET A 38 -6.895 -14.837 1.420 1.00 13.34 H new ATOM 0 HG2 MET A 38 -8.371 -14.116 3.308 1.00 70.33 H new ATOM 0 HG3 MET A 38 -7.759 -12.481 3.149 1.00 70.33 H new ATOM 0 HE1 MET A 38 -9.005 -11.701 -0.633 1.00 43.11 H new ATOM 0 HE2 MET A 38 -8.062 -11.047 0.728 1.00 43.11 H new ATOM 0 HE3 MET A 38 -7.463 -12.461 -0.172 1.00 43.11 H new ATOM 615 N GLY A 39 -3.126 -14.370 2.571 1.00 61.32 N ATOM 616 CA GLY A 39 -1.892 -14.842 1.925 1.00 2.34 C ATOM 617 C GLY A 39 -1.659 -14.218 0.558 1.00 11.14 C ATOM 618 O GLY A 39 -0.688 -14.557 -0.120 1.00 51.43 O ATOM 0 H GLY A 39 -2.980 -13.606 3.231 1.00 61.32 H new ATOM 0 HA2 GLY A 39 -1.042 -14.618 2.570 1.00 2.34 H new ATOM 0 HA3 GLY A 39 -1.935 -15.926 1.820 1.00 2.34 H new ATOM 622 N LYS A 40 -2.566 -13.309 0.151 1.00 25.32 N ATOM 623 CA LYS A 40 -2.475 -12.594 -1.128 1.00 41.32 C ATOM 624 C LYS A 40 -1.527 -11.384 -0.987 1.00 53.35 C ATOM 625 O LYS A 40 -1.977 -10.251 -0.801 1.00 14.53 O ATOM 626 CB LYS A 40 -3.884 -12.116 -1.592 1.00 4.20 C ATOM 627 CG LYS A 40 -4.966 -13.203 -1.680 1.00 71.34 C ATOM 628 CD LYS A 40 -4.580 -14.379 -2.614 1.00 73.12 C ATOM 629 CE LYS A 40 -5.810 -15.104 -3.184 1.00 15.42 C ATOM 630 NZ LYS A 40 -6.535 -14.256 -4.174 1.00 0.54 N ATOM 0 H LYS A 40 -3.383 -13.052 0.705 1.00 25.32 H new ATOM 0 HA LYS A 40 -2.077 -13.276 -1.879 1.00 41.32 H new ATOM 0 HB2 LYS A 40 -4.228 -11.343 -0.905 1.00 4.20 H new ATOM 0 HB3 LYS A 40 -3.784 -11.650 -2.572 1.00 4.20 H new ATOM 0 HG2 LYS A 40 -5.163 -13.591 -0.681 1.00 71.34 H new ATOM 0 HG3 LYS A 40 -5.893 -12.755 -2.036 1.00 71.34 H new ATOM 0 HD2 LYS A 40 -3.971 -14.002 -3.436 1.00 73.12 H new ATOM 0 HD3 LYS A 40 -3.966 -15.091 -2.062 1.00 73.12 H new ATOM 0 HE2 LYS A 40 -5.498 -16.034 -3.660 1.00 15.42 H new ATOM 0 HE3 LYS A 40 -6.484 -15.373 -2.371 1.00 15.42 H new ATOM 0 HZ1 LYS A 40 -7.552 -14.263 -3.958 1.00 0.54 H new ATOM 0 HZ2 LYS A 40 -6.177 -13.281 -4.123 1.00 0.54 H new ATOM 0 HZ3 LYS A 40 -6.381 -14.632 -5.131 1.00 0.54 H new ATOM 644 N ALA A 41 -0.215 -11.656 -1.026 1.00 14.21 N ATOM 645 CA ALA A 41 0.838 -10.626 -0.928 1.00 54.25 C ATOM 646 C ALA A 41 1.006 -9.879 -2.261 1.00 54.13 C ATOM 647 O ALA A 41 1.312 -8.680 -2.280 1.00 30.24 O ATOM 648 CB ALA A 41 2.158 -11.282 -0.510 1.00 53.01 C ATOM 0 H ALA A 41 0.152 -12.602 -1.127 1.00 14.21 H new ATOM 0 HA ALA A 41 0.544 -9.896 -0.174 1.00 54.25 H new ATOM 0 HB1 ALA A 41 2.935 -10.521 -0.438 1.00 53.01 H new ATOM 0 HB2 ALA A 41 2.033 -11.766 0.458 1.00 53.01 H new ATOM 0 HB3 ALA A 41 2.446 -12.026 -1.253 1.00 53.01 H new ATOM 654 N ARG A 42 0.788 -10.617 -3.370 1.00 10.23 N ATOM 655 CA ARG A 42 0.918 -10.094 -4.739 1.00 55.21 C ATOM 656 C ARG A 42 -0.162 -9.022 -5.012 1.00 12.11 C ATOM 657 O ARG A 42 0.146 -7.948 -5.550 1.00 72.54 O ATOM 658 CB ARG A 42 0.829 -11.265 -5.756 1.00 54.24 C ATOM 659 CG ARG A 42 0.847 -10.857 -7.239 1.00 70.11 C ATOM 660 CD ARG A 42 2.216 -10.332 -7.690 1.00 54.41 C ATOM 661 NE ARG A 42 2.139 -9.707 -9.007 1.00 13.15 N ATOM 662 CZ ARG A 42 1.886 -8.414 -9.222 1.00 63.44 C ATOM 663 NH1 ARG A 42 1.685 -7.576 -8.214 1.00 4.31 N ATOM 664 NH2 ARG A 42 1.827 -7.976 -10.460 1.00 34.21 N ATOM 0 H ARG A 42 0.515 -11.599 -3.336 1.00 10.23 H new ATOM 0 HA ARG A 42 1.890 -9.615 -4.853 1.00 55.21 H new ATOM 0 HB2 ARG A 42 1.661 -11.945 -5.574 1.00 54.24 H new ATOM 0 HB3 ARG A 42 -0.087 -11.823 -5.562 1.00 54.24 H new ATOM 0 HG2 ARG A 42 0.572 -11.716 -7.852 1.00 70.11 H new ATOM 0 HG3 ARG A 42 0.093 -10.089 -7.410 1.00 70.11 H new ATOM 0 HD2 ARG A 42 2.587 -9.609 -6.964 1.00 54.41 H new ATOM 0 HD3 ARG A 42 2.932 -11.154 -7.717 1.00 54.41 H new ATOM 0 HE ARG A 42 2.289 -10.301 -9.822 1.00 13.15 H new ATOM 0 HH11 ARG A 42 1.722 -7.916 -7.253 1.00 4.31 H new ATOM 0 HH12 ARG A 42 1.493 -6.592 -8.400 1.00 4.31 H new ATOM 0 HH21 ARG A 42 1.973 -8.621 -11.237 1.00 34.21 H new ATOM 0 HH22 ARG A 42 1.635 -6.991 -10.644 1.00 34.21 H new ATOM 678 N GLU A 43 -1.420 -9.331 -4.620 1.00 43.54 N ATOM 679 CA GLU A 43 -2.546 -8.388 -4.722 1.00 74.41 C ATOM 680 C GLU A 43 -2.383 -7.238 -3.714 1.00 20.43 C ATOM 681 O GLU A 43 -2.669 -6.084 -4.037 1.00 61.13 O ATOM 682 CB GLU A 43 -3.900 -9.094 -4.476 1.00 54.55 C ATOM 683 CG GLU A 43 -4.312 -10.145 -5.523 1.00 33.23 C ATOM 684 CD GLU A 43 -5.746 -10.645 -5.284 1.00 74.24 C ATOM 685 OE1 GLU A 43 -5.958 -11.463 -4.367 1.00 71.14 O ATOM 686 OE2 GLU A 43 -6.685 -10.173 -5.964 1.00 55.54 O ATOM 0 H GLU A 43 -1.677 -10.237 -4.227 1.00 43.54 H new ATOM 0 HA GLU A 43 -2.541 -7.987 -5.736 1.00 74.41 H new ATOM 0 HB2 GLU A 43 -3.863 -9.577 -3.500 1.00 54.55 H new ATOM 0 HB3 GLU A 43 -4.680 -8.334 -4.426 1.00 54.55 H new ATOM 0 HG2 GLU A 43 -4.237 -9.714 -6.522 1.00 33.23 H new ATOM 0 HG3 GLU A 43 -3.621 -10.987 -5.486 1.00 33.23 H new ATOM 693 N ALA A 44 -1.913 -7.582 -2.494 1.00 63.44 N ATOM 694 CA ALA A 44 -1.704 -6.613 -1.404 1.00 54.34 C ATOM 695 C ALA A 44 -0.798 -5.457 -1.852 1.00 14.43 C ATOM 696 O ALA A 44 -1.114 -4.297 -1.604 1.00 4.14 O ATOM 697 CB ALA A 44 -1.122 -7.315 -0.170 1.00 42.24 C ATOM 0 H ALA A 44 -1.669 -8.540 -2.241 1.00 63.44 H new ATOM 0 HA ALA A 44 -2.672 -6.189 -1.138 1.00 54.34 H new ATOM 0 HB1 ALA A 44 -0.973 -6.586 0.627 1.00 42.24 H new ATOM 0 HB2 ALA A 44 -1.813 -8.087 0.169 1.00 42.24 H new ATOM 0 HB3 ALA A 44 -0.166 -7.771 -0.428 1.00 42.24 H new ATOM 703 N ALA A 45 0.283 -5.807 -2.572 1.00 22.10 N ATOM 704 CA ALA A 45 1.282 -4.846 -3.065 1.00 24.21 C ATOM 705 C ALA A 45 0.677 -3.789 -4.009 1.00 23.13 C ATOM 706 O ALA A 45 1.056 -2.613 -3.943 1.00 2.22 O ATOM 707 CB ALA A 45 2.417 -5.601 -3.754 1.00 34.51 C ATOM 0 H ALA A 45 0.488 -6.773 -2.829 1.00 22.10 H new ATOM 0 HA ALA A 45 1.670 -4.301 -2.205 1.00 24.21 H new ATOM 0 HB1 ALA A 45 3.158 -4.890 -4.120 1.00 34.51 H new ATOM 0 HB2 ALA A 45 2.886 -6.280 -3.043 1.00 34.51 H new ATOM 0 HB3 ALA A 45 2.018 -6.172 -4.592 1.00 34.51 H new ATOM 713 N GLU A 46 -0.263 -4.228 -4.872 1.00 3.01 N ATOM 714 CA GLU A 46 -0.981 -3.339 -5.807 1.00 44.14 C ATOM 715 C GLU A 46 -1.718 -2.228 -5.031 1.00 3.13 C ATOM 716 O GLU A 46 -1.542 -1.045 -5.295 1.00 41.14 O ATOM 717 CB GLU A 46 -2.003 -4.160 -6.641 1.00 11.32 C ATOM 718 CG GLU A 46 -1.418 -5.341 -7.451 1.00 44.14 C ATOM 719 CD GLU A 46 -0.417 -4.909 -8.534 1.00 1.11 C ATOM 720 OE1 GLU A 46 -0.847 -4.576 -9.657 1.00 73.55 O ATOM 721 OE2 GLU A 46 0.800 -4.893 -8.273 1.00 71.32 O ATOM 0 H GLU A 46 -0.544 -5.206 -4.940 1.00 3.01 H new ATOM 0 HA GLU A 46 -0.255 -2.880 -6.478 1.00 44.14 H new ATOM 0 HB2 GLU A 46 -2.765 -4.549 -5.966 1.00 11.32 H new ATOM 0 HB3 GLU A 46 -2.506 -3.484 -7.332 1.00 11.32 H new ATOM 0 HG2 GLU A 46 -0.924 -6.031 -6.766 1.00 44.14 H new ATOM 0 HG3 GLU A 46 -2.235 -5.888 -7.921 1.00 44.14 H new ATOM 728 N TYR A 47 -2.496 -2.657 -4.028 1.00 71.34 N ATOM 729 CA TYR A 47 -3.383 -1.790 -3.236 1.00 54.11 C ATOM 730 C TYR A 47 -2.600 -0.888 -2.267 1.00 3.44 C ATOM 731 O TYR A 47 -3.038 0.226 -1.969 1.00 74.54 O ATOM 732 CB TYR A 47 -4.422 -2.671 -2.500 1.00 31.30 C ATOM 733 CG TYR A 47 -5.477 -3.263 -3.450 1.00 22.42 C ATOM 734 CD1 TYR A 47 -5.153 -4.256 -4.377 1.00 34.32 C ATOM 735 CD2 TYR A 47 -6.792 -2.814 -3.428 1.00 4.24 C ATOM 736 CE1 TYR A 47 -6.099 -4.779 -5.234 1.00 13.03 C ATOM 737 CE2 TYR A 47 -7.740 -3.332 -4.280 1.00 72.44 C ATOM 738 CZ TYR A 47 -7.390 -4.314 -5.180 1.00 74.31 C ATOM 739 OH TYR A 47 -8.344 -4.841 -6.027 1.00 53.22 O ATOM 0 H TYR A 47 -2.528 -3.634 -3.738 1.00 71.34 H new ATOM 0 HA TYR A 47 -3.906 -1.111 -3.909 1.00 54.11 H new ATOM 0 HB2 TYR A 47 -3.906 -3.482 -1.986 1.00 31.30 H new ATOM 0 HB3 TYR A 47 -4.921 -2.075 -1.735 1.00 31.30 H new ATOM 0 HD1 TYR A 47 -4.138 -4.623 -4.424 1.00 34.32 H new ATOM 0 HD2 TYR A 47 -7.076 -2.042 -2.728 1.00 4.24 H new ATOM 0 HE1 TYR A 47 -5.827 -5.548 -5.942 1.00 13.03 H new ATOM 0 HE2 TYR A 47 -8.757 -2.969 -4.243 1.00 72.44 H new ATOM 0 HH TYR A 47 -9.206 -4.405 -5.861 1.00 53.22 H new ATOM 749 N PHE A 48 -1.441 -1.381 -1.785 1.00 72.43 N ATOM 750 CA PHE A 48 -0.519 -0.587 -0.950 1.00 0.32 C ATOM 751 C PHE A 48 0.141 0.536 -1.771 1.00 70.11 C ATOM 752 O PHE A 48 0.448 1.599 -1.226 1.00 11.13 O ATOM 753 CB PHE A 48 0.582 -1.477 -0.300 1.00 45.12 C ATOM 754 CG PHE A 48 0.096 -2.441 0.784 1.00 41.44 C ATOM 755 CD1 PHE A 48 -0.917 -2.079 1.671 1.00 42.14 C ATOM 756 CD2 PHE A 48 0.681 -3.698 0.936 1.00 32.11 C ATOM 757 CE1 PHE A 48 -1.330 -2.940 2.664 1.00 13.52 C ATOM 758 CE2 PHE A 48 0.262 -4.564 1.931 1.00 41.12 C ATOM 759 CZ PHE A 48 -0.741 -4.185 2.794 1.00 3.12 C ATOM 0 H PHE A 48 -1.120 -2.333 -1.962 1.00 72.43 H new ATOM 0 HA PHE A 48 -1.116 -0.143 -0.153 1.00 0.32 H new ATOM 0 HB2 PHE A 48 1.067 -2.056 -1.086 1.00 45.12 H new ATOM 0 HB3 PHE A 48 1.342 -0.826 0.132 1.00 45.12 H new ATOM 0 HD1 PHE A 48 -1.385 -1.110 1.578 1.00 42.14 H new ATOM 0 HD2 PHE A 48 1.473 -4.000 0.267 1.00 32.11 H new ATOM 0 HE1 PHE A 48 -2.116 -2.642 3.343 1.00 13.52 H new ATOM 0 HE2 PHE A 48 0.722 -5.536 2.030 1.00 41.12 H new ATOM 0 HZ PHE A 48 -1.068 -4.859 3.572 1.00 3.12 H new ATOM 769 N PHE A 49 0.363 0.278 -3.079 1.00 33.23 N ATOM 770 CA PHE A 49 0.949 1.269 -3.997 1.00 60.24 C ATOM 771 C PHE A 49 -0.051 2.371 -4.314 1.00 42.14 C ATOM 772 O PHE A 49 0.291 3.550 -4.275 1.00 55.25 O ATOM 773 CB PHE A 49 1.409 0.612 -5.320 1.00 73.21 C ATOM 774 CG PHE A 49 2.105 1.585 -6.277 1.00 55.53 C ATOM 775 CD1 PHE A 49 3.162 2.376 -5.825 1.00 34.42 C ATOM 776 CD2 PHE A 49 1.726 1.703 -7.620 1.00 34.21 C ATOM 777 CE1 PHE A 49 3.815 3.243 -6.670 1.00 14.21 C ATOM 778 CE2 PHE A 49 2.392 2.580 -8.468 1.00 35.24 C ATOM 779 CZ PHE A 49 3.436 3.349 -7.990 1.00 35.35 C ATOM 0 H PHE A 49 0.142 -0.615 -3.521 1.00 33.23 H new ATOM 0 HA PHE A 49 1.816 1.696 -3.493 1.00 60.24 H new ATOM 0 HB2 PHE A 49 2.089 -0.209 -5.091 1.00 73.21 H new ATOM 0 HB3 PHE A 49 0.543 0.179 -5.821 1.00 73.21 H new ATOM 0 HD1 PHE A 49 3.473 2.306 -4.793 1.00 34.42 H new ATOM 0 HD2 PHE A 49 0.909 1.107 -8.000 1.00 34.21 H new ATOM 0 HE1 PHE A 49 4.630 3.845 -6.296 1.00 14.21 H new ATOM 0 HE2 PHE A 49 2.093 2.661 -9.503 1.00 35.24 H new ATOM 0 HZ PHE A 49 3.953 4.031 -8.649 1.00 35.35 H new ATOM 789 N ARG A 50 -1.276 1.956 -4.659 1.00 54.04 N ATOM 790 CA ARG A 50 -2.371 2.872 -5.005 1.00 44.51 C ATOM 791 C ARG A 50 -2.689 3.780 -3.804 1.00 3.42 C ATOM 792 O ARG A 50 -2.942 4.973 -3.967 1.00 23.33 O ATOM 793 CB ARG A 50 -3.616 2.063 -5.428 1.00 4.23 C ATOM 794 CG ARG A 50 -3.389 1.098 -6.607 1.00 33.31 C ATOM 795 CD ARG A 50 -4.589 0.161 -6.859 1.00 23.42 C ATOM 796 NE ARG A 50 -4.251 -0.898 -7.825 1.00 61.42 N ATOM 797 CZ ARG A 50 -5.130 -1.687 -8.472 1.00 75.31 C ATOM 798 NH1 ARG A 50 -6.448 -1.566 -8.281 1.00 24.33 N ATOM 799 NH2 ARG A 50 -4.671 -2.598 -9.316 1.00 50.31 N ATOM 0 H ARG A 50 -1.537 0.971 -4.706 1.00 54.04 H new ATOM 0 HA ARG A 50 -2.069 3.501 -5.842 1.00 44.51 H new ATOM 0 HB2 ARG A 50 -3.968 1.490 -4.570 1.00 4.23 H new ATOM 0 HB3 ARG A 50 -4.411 2.759 -5.694 1.00 4.23 H new ATOM 0 HG2 ARG A 50 -3.191 1.676 -7.510 1.00 33.31 H new ATOM 0 HG3 ARG A 50 -2.501 0.497 -6.412 1.00 33.31 H new ATOM 0 HD2 ARG A 50 -4.904 -0.290 -5.918 1.00 23.42 H new ATOM 0 HD3 ARG A 50 -5.433 0.741 -7.233 1.00 23.42 H new ATOM 0 HE ARG A 50 -3.261 -1.047 -8.022 1.00 61.42 H new ATOM 0 HH11 ARG A 50 -6.807 -0.864 -7.634 1.00 24.33 H new ATOM 0 HH12 ARG A 50 -7.094 -2.175 -8.783 1.00 24.33 H new ATOM 0 HH21 ARG A 50 -3.667 -2.693 -9.467 1.00 50.31 H new ATOM 0 HH22 ARG A 50 -5.322 -3.205 -9.815 1.00 50.31 H new ATOM 813 N ALA A 51 -2.628 3.178 -2.599 1.00 60.34 N ATOM 814 CA ALA A 51 -2.753 3.892 -1.327 1.00 54.14 C ATOM 815 C ALA A 51 -1.611 4.908 -1.165 1.00 21.11 C ATOM 816 O ALA A 51 -1.859 6.067 -0.840 1.00 43.34 O ATOM 817 CB ALA A 51 -2.756 2.893 -0.168 1.00 22.11 C ATOM 0 H ALA A 51 -2.489 2.174 -2.488 1.00 60.34 H new ATOM 0 HA ALA A 51 -3.696 4.439 -1.320 1.00 54.14 H new ATOM 0 HB1 ALA A 51 -2.849 3.431 0.776 1.00 22.11 H new ATOM 0 HB2 ALA A 51 -3.597 2.208 -0.280 1.00 22.11 H new ATOM 0 HB3 ALA A 51 -1.824 2.327 -0.173 1.00 22.11 H new ATOM 823 N ALA A 52 -0.367 4.455 -1.433 1.00 3.54 N ATOM 824 CA ALA A 52 0.847 5.284 -1.306 1.00 62.40 C ATOM 825 C ALA A 52 0.821 6.502 -2.255 1.00 43.23 C ATOM 826 O ALA A 52 1.297 7.575 -1.889 1.00 11.40 O ATOM 827 CB ALA A 52 2.100 4.430 -1.554 1.00 2.42 C ATOM 0 H ALA A 52 -0.178 3.502 -1.744 1.00 3.54 H new ATOM 0 HA ALA A 52 0.875 5.672 -0.288 1.00 62.40 H new ATOM 0 HB1 ALA A 52 2.990 5.053 -1.458 1.00 2.42 H new ATOM 0 HB2 ALA A 52 2.141 3.623 -0.822 1.00 2.42 H new ATOM 0 HB3 ALA A 52 2.060 4.008 -2.558 1.00 2.42 H new ATOM 833 N ILE A 53 0.251 6.309 -3.471 1.00 65.02 N ATOM 834 CA ILE A 53 0.035 7.385 -4.463 1.00 2.15 C ATOM 835 C ILE A 53 -0.857 8.484 -3.864 1.00 53.12 C ATOM 836 O ILE A 53 -0.519 9.670 -3.933 1.00 73.01 O ATOM 837 CB ILE A 53 -0.618 6.830 -5.796 1.00 15.45 C ATOM 838 CG1 ILE A 53 0.362 5.879 -6.559 1.00 65.20 C ATOM 839 CG2 ILE A 53 -1.090 7.979 -6.727 1.00 2.10 C ATOM 840 CD1 ILE A 53 -0.256 5.152 -7.745 1.00 33.13 C ATOM 0 H ILE A 53 -0.073 5.396 -3.790 1.00 65.02 H new ATOM 0 HA ILE A 53 1.010 7.802 -4.715 1.00 2.15 H new ATOM 0 HB ILE A 53 -1.495 6.254 -5.502 1.00 15.45 H new ATOM 0 HG12 ILE A 53 1.213 6.462 -6.910 1.00 65.20 H new ATOM 0 HG13 ILE A 53 0.749 5.140 -5.858 1.00 65.20 H new ATOM 0 HG21 ILE A 53 -1.532 7.557 -7.630 1.00 2.10 H new ATOM 0 HG22 ILE A 53 -1.833 8.585 -6.209 1.00 2.10 H new ATOM 0 HG23 ILE A 53 -0.237 8.602 -6.997 1.00 2.10 H new ATOM 0 HD11 ILE A 53 0.495 4.516 -8.213 1.00 33.13 H new ATOM 0 HD12 ILE A 53 -1.089 4.538 -7.402 1.00 33.13 H new ATOM 0 HD13 ILE A 53 -0.618 5.881 -8.470 1.00 33.13 H new ATOM 852 N VAL A 54 -1.986 8.051 -3.261 1.00 13.13 N ATOM 853 CA VAL A 54 -2.967 8.951 -2.644 1.00 51.14 C ATOM 854 C VAL A 54 -2.308 9.761 -1.511 1.00 43.10 C ATOM 855 O VAL A 54 -2.324 10.984 -1.546 1.00 31.04 O ATOM 856 CB VAL A 54 -4.220 8.154 -2.116 1.00 15.13 C ATOM 857 CG1 VAL A 54 -5.230 9.086 -1.413 1.00 34.30 C ATOM 858 CG2 VAL A 54 -4.909 7.389 -3.270 1.00 1.05 C ATOM 0 H VAL A 54 -2.237 7.065 -3.192 1.00 13.13 H new ATOM 0 HA VAL A 54 -3.320 9.646 -3.406 1.00 51.14 H new ATOM 0 HB VAL A 54 -3.862 7.432 -1.382 1.00 15.13 H new ATOM 0 HG11 VAL A 54 -6.081 8.502 -1.062 1.00 34.30 H new ATOM 0 HG12 VAL A 54 -4.748 9.571 -0.564 1.00 34.30 H new ATOM 0 HG13 VAL A 54 -5.576 9.844 -2.116 1.00 34.30 H new ATOM 0 HG21 VAL A 54 -5.771 6.846 -2.883 1.00 1.05 H new ATOM 0 HG22 VAL A 54 -5.238 8.097 -4.031 1.00 1.05 H new ATOM 0 HG23 VAL A 54 -4.204 6.684 -3.711 1.00 1.05 H new ATOM 868 N PHE A 55 -1.659 9.052 -0.569 1.00 10.24 N ATOM 869 CA PHE A 55 -0.990 9.673 0.597 1.00 31.25 C ATOM 870 C PHE A 55 0.133 10.644 0.182 1.00 63.33 C ATOM 871 O PHE A 55 0.394 11.630 0.870 1.00 4.40 O ATOM 872 CB PHE A 55 -0.418 8.583 1.532 1.00 64.12 C ATOM 873 CG PHE A 55 -1.474 7.693 2.183 1.00 1.32 C ATOM 874 CD1 PHE A 55 -2.571 8.252 2.840 1.00 4.22 C ATOM 875 CD2 PHE A 55 -1.351 6.299 2.174 1.00 71.24 C ATOM 876 CE1 PHE A 55 -3.512 7.445 3.450 1.00 34.44 C ATOM 877 CE2 PHE A 55 -2.293 5.500 2.781 1.00 73.30 C ATOM 878 CZ PHE A 55 -3.364 6.073 3.424 1.00 51.30 C ATOM 0 H PHE A 55 -1.582 8.035 -0.591 1.00 10.24 H new ATOM 0 HA PHE A 55 -1.747 10.252 1.126 1.00 31.25 H new ATOM 0 HB2 PHE A 55 0.267 7.956 0.962 1.00 64.12 H new ATOM 0 HB3 PHE A 55 0.167 9.064 2.316 1.00 64.12 H new ATOM 0 HD1 PHE A 55 -2.685 9.325 2.872 1.00 4.22 H new ATOM 0 HD2 PHE A 55 -0.504 5.843 1.683 1.00 71.24 H new ATOM 0 HE1 PHE A 55 -4.363 7.887 3.947 1.00 34.44 H new ATOM 0 HE2 PHE A 55 -2.191 4.425 2.752 1.00 73.30 H new ATOM 0 HZ PHE A 55 -4.095 5.445 3.912 1.00 51.30 H new ATOM 888 N TYR A 56 0.779 10.356 -0.951 1.00 22.21 N ATOM 889 CA TYR A 56 1.844 11.202 -1.511 1.00 51.12 C ATOM 890 C TYR A 56 1.275 12.525 -2.068 1.00 62.11 C ATOM 891 O TYR A 56 1.793 13.608 -1.767 1.00 22.12 O ATOM 892 CB TYR A 56 2.603 10.412 -2.611 1.00 4.02 C ATOM 893 CG TYR A 56 3.618 11.239 -3.403 1.00 20.30 C ATOM 894 CD1 TYR A 56 4.651 11.925 -2.755 1.00 53.11 C ATOM 895 CD2 TYR A 56 3.531 11.351 -4.791 1.00 50.51 C ATOM 896 CE1 TYR A 56 5.555 12.683 -3.462 1.00 51.04 C ATOM 897 CE2 TYR A 56 4.431 12.111 -5.501 1.00 61.13 C ATOM 898 CZ TYR A 56 5.443 12.775 -4.837 1.00 40.13 C ATOM 899 OH TYR A 56 6.338 13.542 -5.553 1.00 43.21 O ATOM 0 H TYR A 56 0.579 9.527 -1.510 1.00 22.21 H new ATOM 0 HA TYR A 56 2.541 11.465 -0.716 1.00 51.12 H new ATOM 0 HB2 TYR A 56 3.121 9.573 -2.146 1.00 4.02 H new ATOM 0 HB3 TYR A 56 1.876 9.992 -3.305 1.00 4.02 H new ATOM 0 HD1 TYR A 56 4.740 11.858 -1.681 1.00 53.11 H new ATOM 0 HD2 TYR A 56 2.743 10.832 -5.317 1.00 50.51 H new ATOM 0 HE1 TYR A 56 6.348 13.204 -2.946 1.00 51.04 H new ATOM 0 HE2 TYR A 56 4.346 12.188 -6.575 1.00 61.13 H new ATOM 0 HH TYR A 56 6.118 13.497 -6.507 1.00 43.21 H new ATOM 909 N LYS A 57 0.226 12.428 -2.899 1.00 72.52 N ATOM 910 CA LYS A 57 -0.395 13.606 -3.546 1.00 21.40 C ATOM 911 C LYS A 57 -1.250 14.443 -2.564 1.00 13.13 C ATOM 912 O LYS A 57 -1.498 15.630 -2.819 1.00 71.22 O ATOM 913 CB LYS A 57 -1.198 13.179 -4.802 1.00 71.25 C ATOM 914 CG LYS A 57 -2.378 12.225 -4.530 1.00 42.31 C ATOM 915 CD LYS A 57 -2.978 11.599 -5.816 1.00 44.22 C ATOM 916 CE LYS A 57 -3.493 12.644 -6.820 1.00 52.11 C ATOM 917 NZ LYS A 57 -4.130 12.009 -8.007 1.00 3.03 N ATOM 0 H LYS A 57 -0.216 11.542 -3.143 1.00 72.52 H new ATOM 0 HA LYS A 57 0.412 14.263 -3.870 1.00 21.40 H new ATOM 0 HB2 LYS A 57 -1.580 14.075 -5.292 1.00 71.25 H new ATOM 0 HB3 LYS A 57 -0.517 12.698 -5.504 1.00 71.25 H new ATOM 0 HG2 LYS A 57 -2.043 11.426 -3.869 1.00 42.31 H new ATOM 0 HG3 LYS A 57 -3.161 12.770 -4.002 1.00 42.31 H new ATOM 0 HD2 LYS A 57 -2.219 10.984 -6.300 1.00 44.22 H new ATOM 0 HD3 LYS A 57 -3.798 10.936 -5.540 1.00 44.22 H new ATOM 0 HE2 LYS A 57 -4.214 13.296 -6.327 1.00 52.11 H new ATOM 0 HE3 LYS A 57 -2.665 13.273 -7.146 1.00 52.11 H new ATOM 0 HZ1 LYS A 57 -4.463 12.748 -8.659 1.00 3.03 H new ATOM 0 HZ2 LYS A 57 -3.436 11.406 -8.493 1.00 3.03 H new ATOM 0 HZ3 LYS A 57 -4.937 11.429 -7.699 1.00 3.03 H new ATOM 931 N GLU A 58 -1.698 13.835 -1.443 1.00 2.13 N ATOM 932 CA GLU A 58 -2.319 14.585 -0.322 1.00 3.24 C ATOM 933 C GLU A 58 -1.219 15.114 0.624 1.00 51.11 C ATOM 934 O GLU A 58 -1.481 15.962 1.479 1.00 1.42 O ATOM 935 CB GLU A 58 -3.305 13.690 0.499 1.00 1.40 C ATOM 936 CG GLU A 58 -4.378 12.929 -0.316 1.00 22.14 C ATOM 937 CD GLU A 58 -5.163 13.791 -1.317 1.00 42.31 C ATOM 938 OE1 GLU A 58 -6.215 14.353 -0.945 1.00 33.11 O ATOM 939 OE2 GLU A 58 -4.752 13.893 -2.493 1.00 41.41 O ATOM 0 H GLU A 58 -1.642 12.828 -1.288 1.00 2.13 H new ATOM 0 HA GLU A 58 -2.883 15.413 -0.753 1.00 3.24 H new ATOM 0 HB2 GLU A 58 -2.720 12.961 1.060 1.00 1.40 H new ATOM 0 HB3 GLU A 58 -3.813 14.320 1.229 1.00 1.40 H new ATOM 0 HG2 GLU A 58 -3.893 12.118 -0.859 1.00 22.14 H new ATOM 0 HG3 GLU A 58 -5.083 12.471 0.378 1.00 22.14 H new ATOM 946 N HIS A 59 0.017 14.593 0.428 1.00 22.03 N ATOM 947 CA HIS A 59 1.222 14.925 1.216 1.00 15.34 C ATOM 948 C HIS A 59 1.082 14.527 2.699 1.00 4.32 C ATOM 949 O HIS A 59 1.720 15.119 3.578 1.00 53.33 O ATOM 950 CB HIS A 59 1.648 16.411 1.015 1.00 14.43 C ATOM 951 CG HIS A 59 2.286 16.686 -0.335 1.00 55.14 C ATOM 952 ND1 HIS A 59 3.656 16.665 -0.536 1.00 71.41 N ATOM 953 CD2 HIS A 59 1.749 16.964 -1.546 1.00 73.13 C ATOM 954 CE1 HIS A 59 3.925 16.924 -1.796 1.00 1.11 C ATOM 955 NE2 HIS A 59 2.790 17.112 -2.427 1.00 65.34 N ATOM 0 H HIS A 59 0.205 13.910 -0.306 1.00 22.03 H new ATOM 0 HA HIS A 59 2.040 14.317 0.829 1.00 15.34 H new ATOM 0 HB2 HIS A 59 0.772 17.049 1.130 1.00 14.43 H new ATOM 0 HB3 HIS A 59 2.350 16.688 1.802 1.00 14.43 H new ATOM 0 HD1 HIS A 59 4.352 16.477 0.186 1.00 71.41 H new ATOM 0 HD2 HIS A 59 0.697 17.053 -1.776 1.00 73.13 H new ATOM 0 HE1 HIS A 59 4.910 16.974 -2.236 1.00 1.11 H new ATOM 964 N ASP A 60 0.291 13.466 2.941 1.00 52.13 N ATOM 965 CA ASP A 60 0.204 12.797 4.243 1.00 74.12 C ATOM 966 C ASP A 60 1.412 11.850 4.373 1.00 71.31 C ATOM 967 O ASP A 60 1.364 10.686 3.962 1.00 34.22 O ATOM 968 CB ASP A 60 -1.139 12.024 4.364 1.00 52.54 C ATOM 969 CG ASP A 60 -1.324 11.338 5.732 1.00 2.01 C ATOM 970 OD1 ASP A 60 -1.390 12.052 6.757 1.00 71.05 O ATOM 971 OD2 ASP A 60 -1.405 10.101 5.793 1.00 73.31 O ATOM 0 H ASP A 60 -0.309 13.049 2.230 1.00 52.13 H new ATOM 0 HA ASP A 60 0.227 13.528 5.051 1.00 74.12 H new ATOM 0 HB2 ASP A 60 -1.965 12.715 4.197 1.00 52.54 H new ATOM 0 HB3 ASP A 60 -1.189 11.271 3.577 1.00 52.54 H new ATOM 976 N THR A 61 2.523 12.414 4.880 1.00 34.23 N ATOM 977 CA THR A 61 3.830 11.737 4.985 1.00 4.12 C ATOM 978 C THR A 61 3.774 10.481 5.899 1.00 71.25 C ATOM 979 O THR A 61 4.500 9.505 5.674 1.00 24.43 O ATOM 980 CB THR A 61 4.904 12.756 5.508 1.00 4.01 C ATOM 981 OG1 THR A 61 4.908 13.941 4.677 1.00 3.54 O ATOM 982 CG2 THR A 61 6.324 12.160 5.544 1.00 4.40 C ATOM 0 H THR A 61 2.539 13.370 5.235 1.00 34.23 H new ATOM 0 HA THR A 61 4.108 11.387 3.991 1.00 4.12 H new ATOM 0 HB THR A 61 4.625 13.007 6.531 1.00 4.01 H new ATOM 0 HG1 THR A 61 5.579 14.572 5.011 1.00 3.54 H new ATOM 0 HG21 THR A 61 7.024 12.909 5.914 1.00 4.40 H new ATOM 0 HG22 THR A 61 6.338 11.293 6.205 1.00 4.40 H new ATOM 0 HG23 THR A 61 6.616 11.855 4.539 1.00 4.40 H new ATOM 990 N ASP A 62 2.888 10.532 6.910 1.00 61.23 N ATOM 991 CA ASP A 62 2.665 9.439 7.873 1.00 43.40 C ATOM 992 C ASP A 62 2.104 8.192 7.174 1.00 3.34 C ATOM 993 O ASP A 62 2.640 7.085 7.327 1.00 71.44 O ATOM 994 CB ASP A 62 1.694 9.923 8.985 1.00 44.05 C ATOM 995 CG ASP A 62 1.245 8.802 9.945 1.00 23.13 C ATOM 996 OD1 ASP A 62 2.088 8.285 10.700 1.00 42.54 O ATOM 997 OD2 ASP A 62 0.053 8.435 9.941 1.00 14.52 O ATOM 0 H ASP A 62 2.298 11.346 7.083 1.00 61.23 H new ATOM 0 HA ASP A 62 3.620 9.164 8.320 1.00 43.40 H new ATOM 0 HB2 ASP A 62 2.179 10.711 9.561 1.00 44.05 H new ATOM 0 HB3 ASP A 62 0.813 10.365 8.519 1.00 44.05 H new ATOM 1002 N GLY A 63 1.007 8.393 6.422 1.00 54.13 N ATOM 1003 CA GLY A 63 0.369 7.316 5.674 1.00 22.14 C ATOM 1004 C GLY A 63 1.204 6.833 4.513 1.00 44.00 C ATOM 1005 O GLY A 63 1.124 5.660 4.141 1.00 0.43 O ATOM 0 H GLY A 63 0.549 9.299 6.322 1.00 54.13 H new ATOM 0 HA2 GLY A 63 0.172 6.481 6.346 1.00 22.14 H new ATOM 0 HA3 GLY A 63 -0.596 7.660 5.303 1.00 22.14 H new ATOM 1009 N LEU A 64 2.001 7.747 3.930 1.00 64.03 N ATOM 1010 CA LEU A 64 2.924 7.424 2.836 1.00 63.42 C ATOM 1011 C LEU A 64 4.030 6.491 3.343 1.00 40.14 C ATOM 1012 O LEU A 64 4.389 5.540 2.657 1.00 42.44 O ATOM 1013 CB LEU A 64 3.522 8.724 2.247 1.00 15.52 C ATOM 1014 CG LEU A 64 4.592 8.558 1.114 1.00 20.00 C ATOM 1015 CD1 LEU A 64 4.046 7.803 -0.110 1.00 51.51 C ATOM 1016 CD2 LEU A 64 5.160 9.915 0.696 1.00 25.22 C ATOM 0 H LEU A 64 2.020 8.729 4.207 1.00 64.03 H new ATOM 0 HA LEU A 64 2.379 6.910 2.044 1.00 63.42 H new ATOM 0 HB2 LEU A 64 2.703 9.328 1.856 1.00 15.52 H new ATOM 0 HB3 LEU A 64 3.974 9.290 3.062 1.00 15.52 H new ATOM 0 HG LEU A 64 5.396 7.952 1.532 1.00 20.00 H new ATOM 0 HD11 LEU A 64 4.829 7.717 -0.863 1.00 51.51 H new ATOM 0 HD12 LEU A 64 3.722 6.807 0.192 1.00 51.51 H new ATOM 0 HD13 LEU A 64 3.200 8.349 -0.527 1.00 51.51 H new ATOM 0 HD21 LEU A 64 5.900 9.773 -0.091 1.00 25.22 H new ATOM 0 HD22 LEU A 64 4.354 10.548 0.326 1.00 25.22 H new ATOM 0 HD23 LEU A 64 5.631 10.392 1.555 1.00 25.22 H new ATOM 1028 N ARG A 65 4.531 6.767 4.569 1.00 35.30 N ATOM 1029 CA ARG A 65 5.531 5.914 5.243 1.00 64.51 C ATOM 1030 C ARG A 65 4.954 4.515 5.477 1.00 33.14 C ATOM 1031 O ARG A 65 5.607 3.515 5.206 1.00 61.31 O ATOM 1032 CB ARG A 65 5.948 6.523 6.613 1.00 14.12 C ATOM 1033 CG ARG A 65 6.954 5.650 7.418 1.00 22.42 C ATOM 1034 CD ARG A 65 7.222 6.192 8.828 1.00 2.23 C ATOM 1035 NE ARG A 65 7.777 7.554 8.796 1.00 1.32 N ATOM 1036 CZ ARG A 65 7.320 8.599 9.506 1.00 51.12 C ATOM 1037 NH1 ARG A 65 6.274 8.473 10.327 1.00 62.01 N ATOM 1038 NH2 ARG A 65 7.929 9.770 9.388 1.00 74.21 N ATOM 0 H ARG A 65 4.254 7.583 5.114 1.00 35.30 H new ATOM 0 HA ARG A 65 6.408 5.852 4.599 1.00 64.51 H new ATOM 0 HB2 ARG A 65 6.391 7.504 6.442 1.00 14.12 H new ATOM 0 HB3 ARG A 65 5.054 6.678 7.217 1.00 14.12 H new ATOM 0 HG2 ARG A 65 6.566 4.634 7.493 1.00 22.42 H new ATOM 0 HG3 ARG A 65 7.895 5.593 6.872 1.00 22.42 H new ATOM 0 HD2 ARG A 65 6.294 6.192 9.400 1.00 2.23 H new ATOM 0 HD3 ARG A 65 7.916 5.529 9.346 1.00 2.23 H new ATOM 0 HE ARG A 65 8.576 7.719 8.183 1.00 1.32 H new ATOM 0 HH11 ARG A 65 5.807 7.571 10.423 1.00 62.01 H new ATOM 0 HH12 ARG A 65 5.942 9.278 10.858 1.00 62.01 H new ATOM 0 HH21 ARG A 65 8.731 9.867 8.766 1.00 74.21 H new ATOM 0 HH22 ARG A 65 7.595 10.574 9.920 1.00 74.21 H new ATOM 1052 N ARG A 66 3.708 4.503 5.976 1.00 10.40 N ATOM 1053 CA ARG A 66 3.003 3.285 6.395 1.00 4.13 C ATOM 1054 C ARG A 66 2.671 2.381 5.192 1.00 53.34 C ATOM 1055 O ARG A 66 2.814 1.159 5.272 1.00 15.41 O ATOM 1056 CB ARG A 66 1.719 3.687 7.169 1.00 42.40 C ATOM 1057 CG ARG A 66 0.985 2.509 7.834 1.00 33.11 C ATOM 1058 CD ARG A 66 -0.235 2.954 8.655 1.00 64.31 C ATOM 1059 NE ARG A 66 0.115 3.934 9.702 1.00 31.12 N ATOM 1060 CZ ARG A 66 0.640 3.643 10.904 1.00 35.32 C ATOM 1061 NH1 ARG A 66 0.893 2.386 11.258 1.00 71.42 N ATOM 1062 NH2 ARG A 66 0.896 4.620 11.752 1.00 51.24 N ATOM 0 H ARG A 66 3.156 5.351 6.101 1.00 10.40 H new ATOM 0 HA ARG A 66 3.653 2.705 7.050 1.00 4.13 H new ATOM 0 HB2 ARG A 66 1.984 4.414 7.936 1.00 42.40 H new ATOM 0 HB3 ARG A 66 1.035 4.184 6.481 1.00 42.40 H new ATOM 0 HG2 ARG A 66 0.663 1.807 7.065 1.00 33.11 H new ATOM 0 HG3 ARG A 66 1.679 1.975 8.483 1.00 33.11 H new ATOM 0 HD2 ARG A 66 -0.978 3.390 7.988 1.00 64.31 H new ATOM 0 HD3 ARG A 66 -0.695 2.081 9.118 1.00 64.31 H new ATOM 0 HE ARG A 66 -0.057 4.918 9.495 1.00 31.12 H new ATOM 0 HH11 ARG A 66 0.688 1.623 10.612 1.00 71.42 H new ATOM 0 HH12 ARG A 66 1.292 2.185 12.175 1.00 71.42 H new ATOM 0 HH21 ARG A 66 0.695 5.586 11.493 1.00 51.24 H new ATOM 0 HH22 ARG A 66 1.295 4.410 12.667 1.00 51.24 H new ATOM 1076 N ALA A 67 2.245 3.004 4.083 1.00 43.34 N ATOM 1077 CA ALA A 67 1.895 2.302 2.840 1.00 31.43 C ATOM 1078 C ALA A 67 3.158 1.838 2.100 1.00 73.22 C ATOM 1079 O ALA A 67 3.150 0.777 1.484 1.00 34.54 O ATOM 1080 CB ALA A 67 1.026 3.200 1.954 1.00 54.15 C ATOM 0 H ALA A 67 2.133 4.016 4.024 1.00 43.34 H new ATOM 0 HA ALA A 67 1.318 1.412 3.091 1.00 31.43 H new ATOM 0 HB1 ALA A 67 0.773 2.670 1.036 1.00 54.15 H new ATOM 0 HB2 ALA A 67 0.111 3.461 2.486 1.00 54.15 H new ATOM 0 HB3 ALA A 67 1.575 4.109 1.708 1.00 54.15 H new ATOM 1086 N ALA A 68 4.241 2.643 2.188 1.00 63.23 N ATOM 1087 CA ALA A 68 5.563 2.288 1.627 1.00 54.14 C ATOM 1088 C ALA A 68 6.174 1.094 2.366 1.00 71.35 C ATOM 1089 O ALA A 68 6.792 0.210 1.754 1.00 34.52 O ATOM 1090 CB ALA A 68 6.518 3.484 1.710 1.00 71.11 C ATOM 0 H ALA A 68 4.223 3.553 2.648 1.00 63.23 H new ATOM 0 HA ALA A 68 5.417 2.014 0.582 1.00 54.14 H new ATOM 0 HB1 ALA A 68 7.486 3.206 1.293 1.00 71.11 H new ATOM 0 HB2 ALA A 68 6.105 4.319 1.144 1.00 71.11 H new ATOM 0 HB3 ALA A 68 6.643 3.778 2.752 1.00 71.11 H new ATOM 1096 N LYS A 69 5.997 1.110 3.702 1.00 54.21 N ATOM 1097 CA LYS A 69 6.506 0.073 4.592 1.00 71.31 C ATOM 1098 C LYS A 69 5.752 -1.235 4.345 1.00 1.14 C ATOM 1099 O LYS A 69 6.366 -2.255 4.087 1.00 32.52 O ATOM 1100 CB LYS A 69 6.376 0.504 6.077 1.00 31.31 C ATOM 1101 CG LYS A 69 7.080 -0.455 7.063 1.00 14.15 C ATOM 1102 CD LYS A 69 8.620 -0.462 6.882 1.00 74.11 C ATOM 1103 CE LYS A 69 9.318 -1.494 7.785 1.00 1.13 C ATOM 1104 NZ LYS A 69 8.966 -1.336 9.222 1.00 52.20 N ATOM 0 H LYS A 69 5.492 1.852 4.187 1.00 54.21 H new ATOM 0 HA LYS A 69 7.564 -0.080 4.380 1.00 71.31 H new ATOM 0 HB2 LYS A 69 6.794 1.504 6.194 1.00 31.31 H new ATOM 0 HB3 LYS A 69 5.319 0.568 6.337 1.00 31.31 H new ATOM 0 HG2 LYS A 69 6.838 -0.163 8.085 1.00 14.15 H new ATOM 0 HG3 LYS A 69 6.695 -1.465 6.921 1.00 14.15 H new ATOM 0 HD2 LYS A 69 8.859 -0.676 5.840 1.00 74.11 H new ATOM 0 HD3 LYS A 69 9.012 0.531 7.101 1.00 74.11 H new ATOM 0 HE2 LYS A 69 9.047 -2.498 7.458 1.00 1.13 H new ATOM 0 HE3 LYS A 69 10.398 -1.401 7.668 1.00 1.13 H new ATOM 0 HZ1 LYS A 69 9.528 -2.000 9.792 1.00 52.20 H new ATOM 0 HZ2 LYS A 69 9.170 -0.362 9.524 1.00 52.20 H new ATOM 0 HZ3 LYS A 69 7.954 -1.535 9.356 1.00 52.20 H new ATOM 1118 N SER A 70 4.410 -1.172 4.355 1.00 34.12 N ATOM 1119 CA SER A 70 3.557 -2.355 4.157 1.00 14.55 C ATOM 1120 C SER A 70 3.737 -2.936 2.745 1.00 54.03 C ATOM 1121 O SER A 70 3.570 -4.141 2.549 1.00 43.51 O ATOM 1122 CB SER A 70 2.087 -1.999 4.416 1.00 2.15 C ATOM 1123 OG SER A 70 1.909 -1.500 5.732 1.00 65.34 O ATOM 0 H SER A 70 3.890 -0.307 4.499 1.00 34.12 H new ATOM 0 HA SER A 70 3.861 -3.120 4.872 1.00 14.55 H new ATOM 0 HB2 SER A 70 1.757 -1.253 3.693 1.00 2.15 H new ATOM 0 HB3 SER A 70 1.464 -2.882 4.271 1.00 2.15 H new ATOM 0 HG SER A 70 2.183 -0.560 5.765 1.00 65.34 H new ATOM 1129 N LEU A 71 4.071 -2.055 1.772 1.00 4.32 N ATOM 1130 CA LEU A 71 4.352 -2.453 0.382 1.00 71.02 C ATOM 1131 C LEU A 71 5.561 -3.408 0.359 1.00 50.45 C ATOM 1132 O LEU A 71 5.462 -4.521 -0.154 1.00 63.12 O ATOM 1133 CB LEU A 71 4.597 -1.192 -0.520 1.00 33.23 C ATOM 1134 CG LEU A 71 3.884 -1.177 -1.910 1.00 53.23 C ATOM 1135 CD1 LEU A 71 4.069 0.183 -2.590 1.00 63.41 C ATOM 1136 CD2 LEU A 71 4.358 -2.324 -2.826 1.00 4.41 C ATOM 0 H LEU A 71 4.152 -1.051 1.934 1.00 4.32 H new ATOM 0 HA LEU A 71 3.487 -2.976 -0.026 1.00 71.02 H new ATOM 0 HB2 LEU A 71 4.280 -0.309 0.035 1.00 33.23 H new ATOM 0 HB3 LEU A 71 5.670 -1.095 -0.686 1.00 33.23 H new ATOM 0 HG LEU A 71 2.821 -1.339 -1.732 1.00 53.23 H new ATOM 0 HD11 LEU A 71 3.567 0.177 -3.557 1.00 63.41 H new ATOM 0 HD12 LEU A 71 3.640 0.965 -1.963 1.00 63.41 H new ATOM 0 HD13 LEU A 71 5.132 0.376 -2.734 1.00 63.41 H new ATOM 0 HD21 LEU A 71 3.833 -2.269 -3.779 1.00 4.41 H new ATOM 0 HD22 LEU A 71 5.431 -2.233 -2.997 1.00 4.41 H new ATOM 0 HD23 LEU A 71 4.146 -3.281 -2.350 1.00 4.41 H new ATOM 1148 N LYS A 72 6.687 -2.972 0.972 1.00 42.41 N ATOM 1149 CA LYS A 72 7.937 -3.756 0.997 1.00 54.12 C ATOM 1150 C LYS A 72 7.819 -5.005 1.908 1.00 24.23 C ATOM 1151 O LYS A 72 8.491 -6.015 1.650 1.00 2.12 O ATOM 1152 CB LYS A 72 9.162 -2.880 1.394 1.00 2.31 C ATOM 1153 CG LYS A 72 9.081 -2.218 2.789 1.00 41.44 C ATOM 1154 CD LYS A 72 10.399 -1.579 3.308 1.00 5.03 C ATOM 1155 CE LYS A 72 11.052 -0.557 2.349 1.00 70.04 C ATOM 1156 NZ LYS A 72 11.880 -1.200 1.288 1.00 42.24 N ATOM 0 H LYS A 72 6.751 -2.077 1.457 1.00 42.41 H new ATOM 0 HA LYS A 72 8.105 -4.111 -0.020 1.00 54.12 H new ATOM 0 HB2 LYS A 72 10.058 -3.500 1.356 1.00 2.31 H new ATOM 0 HB3 LYS A 72 9.285 -2.097 0.646 1.00 2.31 H new ATOM 0 HG2 LYS A 72 8.311 -1.447 2.761 1.00 41.44 H new ATOM 0 HG3 LYS A 72 8.754 -2.968 3.509 1.00 41.44 H new ATOM 0 HD2 LYS A 72 10.196 -1.085 4.258 1.00 5.03 H new ATOM 0 HD3 LYS A 72 11.116 -2.375 3.510 1.00 5.03 H new ATOM 0 HE2 LYS A 72 10.272 0.043 1.880 1.00 70.04 H new ATOM 0 HE3 LYS A 72 11.676 0.126 2.925 1.00 70.04 H new ATOM 0 HZ1 LYS A 72 12.803 -0.724 1.232 1.00 42.24 H new ATOM 0 HZ2 LYS A 72 12.022 -2.204 1.519 1.00 42.24 H new ATOM 0 HZ3 LYS A 72 11.393 -1.121 0.372 1.00 42.24 H new ATOM 1170 N GLU A 73 6.972 -4.933 2.972 1.00 74.03 N ATOM 1171 CA GLU A 73 6.663 -6.118 3.811 1.00 40.40 C ATOM 1172 C GLU A 73 5.888 -7.158 2.974 1.00 4.12 C ATOM 1173 O GLU A 73 6.056 -8.371 3.152 1.00 53.21 O ATOM 1174 CB GLU A 73 5.839 -5.760 5.090 1.00 3.23 C ATOM 1175 CG GLU A 73 6.439 -4.661 6.000 1.00 2.15 C ATOM 1176 CD GLU A 73 7.929 -4.844 6.361 1.00 73.04 C ATOM 1177 OE1 GLU A 73 8.233 -5.584 7.324 1.00 12.34 O ATOM 1178 OE2 GLU A 73 8.800 -4.231 5.702 1.00 40.53 O ATOM 0 H GLU A 73 6.499 -4.078 3.263 1.00 74.03 H new ATOM 0 HA GLU A 73 7.616 -6.528 4.146 1.00 40.40 H new ATOM 0 HB2 GLU A 73 4.844 -5.443 4.779 1.00 3.23 H new ATOM 0 HB3 GLU A 73 5.714 -6.666 5.683 1.00 3.23 H new ATOM 0 HG2 GLU A 73 6.318 -3.697 5.506 1.00 2.15 H new ATOM 0 HG3 GLU A 73 5.861 -4.621 6.923 1.00 2.15 H new ATOM 1185 N ALA A 74 5.035 -6.659 2.056 1.00 24.51 N ATOM 1186 CA ALA A 74 4.276 -7.499 1.124 1.00 43.04 C ATOM 1187 C ALA A 74 5.205 -8.123 0.062 1.00 23.44 C ATOM 1188 O ALA A 74 5.007 -9.273 -0.293 1.00 34.13 O ATOM 1189 CB ALA A 74 3.122 -6.703 0.481 1.00 3.40 C ATOM 0 H ALA A 74 4.857 -5.661 1.945 1.00 24.51 H new ATOM 0 HA ALA A 74 3.831 -8.319 1.687 1.00 43.04 H new ATOM 0 HB1 ALA A 74 2.574 -7.348 -0.206 1.00 3.40 H new ATOM 0 HB2 ALA A 74 2.448 -6.346 1.260 1.00 3.40 H new ATOM 0 HB3 ALA A 74 3.528 -5.852 -0.066 1.00 3.40 H new ATOM 1195 N ILE A 75 6.246 -7.374 -0.395 1.00 62.42 N ATOM 1196 CA ILE A 75 7.188 -7.841 -1.448 1.00 74.24 C ATOM 1197 C ILE A 75 8.003 -9.059 -0.974 1.00 41.22 C ATOM 1198 O ILE A 75 8.157 -10.048 -1.705 1.00 72.33 O ATOM 1199 CB ILE A 75 8.189 -6.709 -1.898 1.00 35.54 C ATOM 1200 CG1 ILE A 75 7.448 -5.430 -2.398 1.00 14.32 C ATOM 1201 CG2 ILE A 75 9.177 -7.216 -2.974 1.00 3.12 C ATOM 1202 CD1 ILE A 75 6.445 -5.640 -3.513 1.00 21.05 C ATOM 0 H ILE A 75 6.454 -6.438 -0.047 1.00 62.42 H new ATOM 0 HA ILE A 75 6.569 -8.122 -2.300 1.00 74.24 H new ATOM 0 HB ILE A 75 8.760 -6.435 -1.011 1.00 35.54 H new ATOM 0 HG12 ILE A 75 6.931 -4.978 -1.551 1.00 14.32 H new ATOM 0 HG13 ILE A 75 8.194 -4.711 -2.737 1.00 14.32 H new ATOM 0 HG21 ILE A 75 9.851 -6.408 -3.259 1.00 3.12 H new ATOM 0 HG22 ILE A 75 9.757 -8.047 -2.573 1.00 3.12 H new ATOM 0 HG23 ILE A 75 8.621 -7.551 -3.850 1.00 3.12 H new ATOM 0 HD11 ILE A 75 5.992 -4.685 -3.780 1.00 21.05 H new ATOM 0 HD12 ILE A 75 6.951 -6.057 -4.384 1.00 21.05 H new ATOM 0 HD13 ILE A 75 5.669 -6.329 -3.179 1.00 21.05 H new ATOM 1214 N THR A 76 8.506 -8.975 0.272 1.00 24.34 N ATOM 1215 CA THR A 76 9.253 -10.069 0.912 1.00 52.12 C ATOM 1216 C THR A 76 8.332 -11.280 1.211 1.00 42.12 C ATOM 1217 O THR A 76 8.817 -12.373 1.529 1.00 73.13 O ATOM 1218 CB THR A 76 9.946 -9.568 2.219 1.00 72.53 C ATOM 1219 OG1 THR A 76 8.984 -8.899 3.058 1.00 73.44 O ATOM 1220 CG2 THR A 76 11.119 -8.616 1.920 1.00 43.53 C ATOM 0 H THR A 76 8.405 -8.148 0.860 1.00 24.34 H new ATOM 0 HA THR A 76 10.023 -10.401 0.216 1.00 52.12 H new ATOM 0 HB THR A 76 10.347 -10.441 2.734 1.00 72.53 H new ATOM 0 HG1 THR A 76 8.079 -9.086 2.731 1.00 73.44 H new ATOM 0 HG21 THR A 76 11.572 -8.292 2.857 1.00 43.53 H new ATOM 0 HG22 THR A 76 11.864 -9.135 1.317 1.00 43.53 H new ATOM 0 HG23 THR A 76 10.752 -7.747 1.374 1.00 43.53 H new ATOM 1228 N ALA A 77 7.007 -11.056 1.114 1.00 44.13 N ATOM 1229 CA ALA A 77 5.985 -12.106 1.233 1.00 14.52 C ATOM 1230 C ALA A 77 5.529 -12.613 -0.156 1.00 33.34 C ATOM 1231 O ALA A 77 4.908 -13.676 -0.238 1.00 75.33 O ATOM 1232 CB ALA A 77 4.793 -11.572 2.045 1.00 32.42 C ATOM 0 H ALA A 77 6.615 -10.129 0.949 1.00 44.13 H new ATOM 0 HA ALA A 77 6.420 -12.958 1.756 1.00 14.52 H new ATOM 0 HB1 ALA A 77 4.035 -12.350 2.133 1.00 32.42 H new ATOM 0 HB2 ALA A 77 5.131 -11.281 3.039 1.00 32.42 H new ATOM 0 HB3 ALA A 77 4.367 -10.706 1.539 1.00 32.42 H new ATOM 1238 N ILE A 78 5.803 -11.840 -1.236 1.00 53.03 N ATOM 1239 CA ILE A 78 5.537 -12.289 -2.626 1.00 12.20 C ATOM 1240 C ILE A 78 6.660 -13.268 -3.058 1.00 54.41 C ATOM 1241 O ILE A 78 7.838 -12.985 -2.815 1.00 13.32 O ATOM 1242 CB ILE A 78 5.486 -11.103 -3.691 1.00 22.12 C ATOM 1243 CG1 ILE A 78 4.538 -9.951 -3.260 1.00 22.12 C ATOM 1244 CG2 ILE A 78 5.039 -11.640 -5.073 1.00 21.12 C ATOM 1245 CD1 ILE A 78 4.525 -8.738 -4.192 1.00 20.53 C ATOM 0 H ILE A 78 6.207 -10.906 -1.172 1.00 53.03 H new ATOM 0 HA ILE A 78 4.553 -12.758 -2.615 1.00 12.20 H new ATOM 0 HB ILE A 78 6.496 -10.697 -3.753 1.00 22.12 H new ATOM 0 HG12 ILE A 78 3.524 -10.344 -3.187 1.00 22.12 H new ATOM 0 HG13 ILE A 78 4.825 -9.620 -2.262 1.00 22.12 H new ATOM 0 HG21 ILE A 78 5.009 -10.819 -5.790 1.00 21.12 H new ATOM 0 HG22 ILE A 78 5.746 -12.395 -5.416 1.00 21.12 H new ATOM 0 HG23 ILE A 78 4.047 -12.084 -4.987 1.00 21.12 H new ATOM 0 HD11 ILE A 78 3.833 -7.990 -3.805 1.00 20.53 H new ATOM 0 HD12 ILE A 78 5.527 -8.312 -4.248 1.00 20.53 H new ATOM 0 HD13 ILE A 78 4.206 -9.047 -5.187 1.00 20.53 H new ATOM 1369 N GLU A 86 8.419 -7.474 -9.988 1.00 22.23 N ATOM 1370 CA GLU A 86 7.551 -6.511 -10.705 1.00 44.32 C ATOM 1371 C GLU A 86 6.997 -5.435 -9.749 1.00 1.02 C ATOM 1372 O GLU A 86 7.340 -4.254 -9.858 1.00 11.33 O ATOM 1373 CB GLU A 86 6.385 -7.303 -11.377 1.00 72.15 C ATOM 1374 CG GLU A 86 5.483 -6.482 -12.321 1.00 70.51 C ATOM 1375 CD GLU A 86 6.239 -5.925 -13.538 1.00 62.33 C ATOM 1376 OE1 GLU A 86 6.672 -6.738 -14.390 1.00 14.24 O ATOM 1377 OE2 GLU A 86 6.411 -4.692 -13.651 1.00 31.32 O ATOM 0 HA GLU A 86 8.137 -5.993 -11.464 1.00 44.32 H new ATOM 0 HB2 GLU A 86 6.810 -8.134 -11.940 1.00 72.15 H new ATOM 0 HB3 GLU A 86 5.763 -7.735 -10.593 1.00 72.15 H new ATOM 0 HG2 GLU A 86 4.661 -7.109 -12.666 1.00 70.51 H new ATOM 0 HG3 GLU A 86 5.041 -5.655 -11.765 1.00 70.51 H new ATOM 1384 N ALA A 87 6.149 -5.887 -8.801 1.00 22.22 N ATOM 1385 CA ALA A 87 5.499 -5.040 -7.786 1.00 50.01 C ATOM 1386 C ALA A 87 6.519 -4.329 -6.868 1.00 44.04 C ATOM 1387 O ALA A 87 6.193 -3.313 -6.246 1.00 25.45 O ATOM 1388 CB ALA A 87 4.517 -5.886 -6.958 1.00 75.41 C ATOM 0 H ALA A 87 5.894 -6.871 -8.721 1.00 22.22 H new ATOM 0 HA ALA A 87 4.953 -4.255 -8.309 1.00 50.01 H new ATOM 0 HB1 ALA A 87 4.038 -5.257 -6.208 1.00 75.41 H new ATOM 0 HB2 ALA A 87 3.758 -6.310 -7.615 1.00 75.41 H new ATOM 0 HB3 ALA A 87 5.059 -6.692 -6.463 1.00 75.41 H new ATOM 1394 N LYS A 88 7.728 -4.914 -6.750 1.00 3.11 N ATOM 1395 CA LYS A 88 8.836 -4.341 -5.964 1.00 72.35 C ATOM 1396 C LYS A 88 9.237 -2.927 -6.455 1.00 24.54 C ATOM 1397 O LYS A 88 9.633 -2.081 -5.650 1.00 72.25 O ATOM 1398 CB LYS A 88 10.051 -5.290 -5.994 1.00 13.54 C ATOM 1399 CG LYS A 88 11.248 -4.801 -5.142 1.00 4.22 C ATOM 1400 CD LYS A 88 12.306 -5.894 -4.911 1.00 71.04 C ATOM 1401 CE LYS A 88 13.547 -5.355 -4.188 1.00 42.32 C ATOM 1402 NZ LYS A 88 14.256 -4.325 -5.000 1.00 10.31 N ATOM 0 H LYS A 88 7.963 -5.799 -7.199 1.00 3.11 H new ATOM 0 HA LYS A 88 8.487 -4.233 -4.937 1.00 72.35 H new ATOM 0 HB2 LYS A 88 9.741 -6.273 -5.638 1.00 13.54 H new ATOM 0 HB3 LYS A 88 10.378 -5.413 -7.026 1.00 13.54 H new ATOM 0 HG2 LYS A 88 11.715 -3.949 -5.636 1.00 4.22 H new ATOM 0 HG3 LYS A 88 10.881 -4.448 -4.178 1.00 4.22 H new ATOM 0 HD2 LYS A 88 11.869 -6.703 -4.325 1.00 71.04 H new ATOM 0 HD3 LYS A 88 12.602 -6.319 -5.870 1.00 71.04 H new ATOM 0 HE2 LYS A 88 13.252 -4.924 -3.231 1.00 42.32 H new ATOM 0 HE3 LYS A 88 14.227 -6.178 -3.970 1.00 42.32 H new ATOM 0 HZ1 LYS A 88 15.207 -4.170 -4.610 1.00 10.31 H new ATOM 0 HZ2 LYS A 88 14.335 -4.652 -5.984 1.00 10.31 H new ATOM 0 HZ3 LYS A 88 13.721 -3.433 -4.973 1.00 10.31 H new ATOM 1416 N GLU A 89 9.114 -2.683 -7.775 1.00 25.34 N ATOM 1417 CA GLU A 89 9.409 -1.369 -8.395 1.00 61.32 C ATOM 1418 C GLU A 89 8.489 -0.272 -7.813 1.00 11.51 C ATOM 1419 O GLU A 89 8.888 0.886 -7.661 1.00 12.35 O ATOM 1420 CB GLU A 89 9.235 -1.464 -9.939 1.00 11.51 C ATOM 1421 CG GLU A 89 9.646 -0.193 -10.707 1.00 34.23 C ATOM 1422 CD GLU A 89 9.419 -0.304 -12.223 1.00 52.02 C ATOM 1423 OE1 GLU A 89 8.280 -0.074 -12.673 1.00 62.32 O ATOM 1424 OE2 GLU A 89 10.369 -0.632 -12.972 1.00 4.31 O ATOM 0 H GLU A 89 8.808 -3.389 -8.444 1.00 25.34 H new ATOM 0 HA GLU A 89 10.441 -1.099 -8.171 1.00 61.32 H new ATOM 0 HB2 GLU A 89 9.825 -2.303 -10.308 1.00 11.51 H new ATOM 0 HB3 GLU A 89 8.191 -1.686 -10.161 1.00 11.51 H new ATOM 0 HG2 GLU A 89 9.080 0.656 -10.322 1.00 34.23 H new ATOM 0 HG3 GLU A 89 10.699 0.014 -10.518 1.00 34.23 H new ATOM 1431 N MET A 90 7.265 -0.690 -7.460 1.00 34.13 N ATOM 1432 CA MET A 90 6.246 0.175 -6.855 1.00 75.34 C ATOM 1433 C MET A 90 6.581 0.482 -5.389 1.00 24.12 C ATOM 1434 O MET A 90 6.333 1.597 -4.912 1.00 5.31 O ATOM 1435 CB MET A 90 4.872 -0.506 -6.922 1.00 20.32 C ATOM 1436 CG MET A 90 4.424 -0.918 -8.317 1.00 13.25 C ATOM 1437 SD MET A 90 2.705 -1.479 -8.342 1.00 51.13 S ATOM 1438 CE MET A 90 2.645 -2.587 -6.931 1.00 34.25 C ATOM 0 H MET A 90 6.952 -1.652 -7.589 1.00 34.13 H new ATOM 0 HA MET A 90 6.226 1.110 -7.415 1.00 75.34 H new ATOM 0 HB2 MET A 90 4.891 -1.392 -6.287 1.00 20.32 H new ATOM 0 HB3 MET A 90 4.127 0.171 -6.503 1.00 20.32 H new ATOM 0 HG2 MET A 90 4.540 -0.075 -8.998 1.00 13.25 H new ATOM 0 HG3 MET A 90 5.070 -1.715 -8.684 1.00 13.25 H new ATOM 0 HE1 MET A 90 1.802 -3.269 -7.040 1.00 34.25 H new ATOM 0 HE2 MET A 90 3.571 -3.160 -6.879 1.00 34.25 H new ATOM 0 HE3 MET A 90 2.526 -2.006 -6.017 1.00 34.25 H new ATOM 1448 N ALA A 91 7.118 -0.536 -4.680 1.00 64.23 N ATOM 1449 CA ALA A 91 7.617 -0.370 -3.306 1.00 11.52 C ATOM 1450 C ALA A 91 8.704 0.701 -3.279 1.00 1.35 C ATOM 1451 O ALA A 91 8.684 1.586 -2.425 1.00 15.20 O ATOM 1452 CB ALA A 91 8.130 -1.704 -2.743 1.00 54.23 C ATOM 0 H ALA A 91 7.215 -1.484 -5.044 1.00 64.23 H new ATOM 0 HA ALA A 91 6.796 -0.045 -2.667 1.00 11.52 H new ATOM 0 HB1 ALA A 91 8.493 -1.554 -1.726 1.00 54.23 H new ATOM 0 HB2 ALA A 91 7.318 -2.432 -2.735 1.00 54.23 H new ATOM 0 HB3 ALA A 91 8.943 -2.074 -3.368 1.00 54.23 H new ATOM 1458 N LYS A 92 9.596 0.635 -4.291 1.00 71.51 N ATOM 1459 CA LYS A 92 10.692 1.594 -4.470 1.00 64.13 C ATOM 1460 C LYS A 92 10.163 3.018 -4.700 1.00 54.25 C ATOM 1461 O LYS A 92 10.705 3.962 -4.143 1.00 1.12 O ATOM 1462 CB LYS A 92 11.592 1.184 -5.654 1.00 11.44 C ATOM 1463 CG LYS A 92 12.321 -0.164 -5.475 1.00 1.31 C ATOM 1464 CD LYS A 92 13.253 -0.478 -6.674 1.00 63.21 C ATOM 1465 CE LYS A 92 14.363 0.575 -6.878 1.00 53.42 C ATOM 1466 NZ LYS A 92 15.165 0.311 -8.112 1.00 60.43 N ATOM 0 H LYS A 92 9.570 -0.091 -5.007 1.00 71.51 H new ATOM 0 HA LYS A 92 11.279 1.585 -3.551 1.00 64.13 H new ATOM 0 HB2 LYS A 92 10.982 1.134 -6.556 1.00 11.44 H new ATOM 0 HB3 LYS A 92 12.335 1.965 -5.815 1.00 11.44 H new ATOM 0 HG2 LYS A 92 12.906 -0.141 -4.556 1.00 1.31 H new ATOM 0 HG3 LYS A 92 11.587 -0.963 -5.366 1.00 1.31 H new ATOM 0 HD2 LYS A 92 13.712 -1.455 -6.522 1.00 63.21 H new ATOM 0 HD3 LYS A 92 12.654 -0.545 -7.582 1.00 63.21 H new ATOM 0 HE2 LYS A 92 13.915 1.567 -6.942 1.00 53.42 H new ATOM 0 HE3 LYS A 92 15.023 0.579 -6.011 1.00 53.42 H new ATOM 0 HZ1 LYS A 92 15.899 1.041 -8.212 1.00 60.43 H new ATOM 0 HZ2 LYS A 92 15.614 -0.624 -8.041 1.00 60.43 H new ATOM 0 HZ3 LYS A 92 14.540 0.333 -8.943 1.00 60.43 H new ATOM 1480 N LYS A 93 9.101 3.142 -5.529 1.00 74.12 N ATOM 1481 CA LYS A 93 8.430 4.434 -5.813 1.00 31.22 C ATOM 1482 C LYS A 93 7.956 5.094 -4.516 1.00 42.44 C ATOM 1483 O LYS A 93 8.265 6.256 -4.252 1.00 50.50 O ATOM 1484 CB LYS A 93 7.221 4.220 -6.772 1.00 61.32 C ATOM 1485 CG LYS A 93 7.589 4.098 -8.261 1.00 2.35 C ATOM 1486 CD LYS A 93 7.987 5.462 -8.872 1.00 64.25 C ATOM 1487 CE LYS A 93 8.379 5.358 -10.356 1.00 41.25 C ATOM 1488 NZ LYS A 93 7.293 4.773 -11.196 1.00 63.13 N ATOM 0 H LYS A 93 8.685 2.351 -6.020 1.00 74.12 H new ATOM 0 HA LYS A 93 9.152 5.092 -6.296 1.00 31.22 H new ATOM 0 HB2 LYS A 93 6.691 3.317 -6.469 1.00 61.32 H new ATOM 0 HB3 LYS A 93 6.528 5.053 -6.651 1.00 61.32 H new ATOM 0 HG2 LYS A 93 8.414 3.395 -8.374 1.00 2.35 H new ATOM 0 HG3 LYS A 93 6.743 3.687 -8.811 1.00 2.35 H new ATOM 0 HD2 LYS A 93 7.155 6.158 -8.769 1.00 64.25 H new ATOM 0 HD3 LYS A 93 8.822 5.878 -8.308 1.00 64.25 H new ATOM 0 HE2 LYS A 93 8.630 6.350 -10.732 1.00 41.25 H new ATOM 0 HE3 LYS A 93 9.276 4.745 -10.449 1.00 41.25 H new ATOM 0 HZ1 LYS A 93 7.552 4.849 -12.200 1.00 63.13 H new ATOM 0 HZ2 LYS A 93 7.163 3.772 -10.947 1.00 63.13 H new ATOM 0 HZ3 LYS A 93 6.407 5.290 -11.027 1.00 63.13 H new ATOM 1502 N ALA A 94 7.235 4.301 -3.705 1.00 11.42 N ATOM 1503 CA ALA A 94 6.685 4.732 -2.413 1.00 21.52 C ATOM 1504 C ALA A 94 7.801 5.170 -1.427 1.00 52.44 C ATOM 1505 O ALA A 94 7.598 6.080 -0.611 1.00 3.31 O ATOM 1506 CB ALA A 94 5.834 3.601 -1.830 1.00 30.14 C ATOM 0 H ALA A 94 7.016 3.331 -3.933 1.00 11.42 H new ATOM 0 HA ALA A 94 6.057 5.608 -2.572 1.00 21.52 H new ATOM 0 HB1 ALA A 94 5.422 3.913 -0.870 1.00 30.14 H new ATOM 0 HB2 ALA A 94 5.020 3.368 -2.516 1.00 30.14 H new ATOM 0 HB3 ALA A 94 6.454 2.716 -1.688 1.00 30.14 H new ATOM 1512 N GLU A 95 8.980 4.504 -1.532 1.00 41.45 N ATOM 1513 CA GLU A 95 10.202 4.846 -0.768 1.00 71.33 C ATOM 1514 C GLU A 95 10.770 6.198 -1.228 1.00 64.02 C ATOM 1515 O GLU A 95 11.089 7.036 -0.396 1.00 64.43 O ATOM 1516 CB GLU A 95 11.273 3.734 -0.934 1.00 31.15 C ATOM 1517 CG GLU A 95 10.882 2.381 -0.325 1.00 31.11 C ATOM 1518 CD GLU A 95 11.891 1.271 -0.652 1.00 40.41 C ATOM 1519 OE1 GLU A 95 13.046 1.358 -0.182 1.00 52.22 O ATOM 1520 OE2 GLU A 95 11.540 0.290 -1.346 1.00 54.50 O ATOM 0 H GLU A 95 9.107 3.707 -2.156 1.00 41.45 H new ATOM 0 HA GLU A 95 9.934 4.923 0.286 1.00 71.33 H new ATOM 0 HB2 GLU A 95 11.474 3.596 -1.996 1.00 31.15 H new ATOM 0 HB3 GLU A 95 12.203 4.070 -0.475 1.00 31.15 H new ATOM 0 HG2 GLU A 95 10.800 2.484 0.757 1.00 31.11 H new ATOM 0 HG3 GLU A 95 9.898 2.092 -0.694 1.00 31.11 H new ATOM 1527 N GLU A 96 10.853 6.396 -2.563 1.00 75.13 N ATOM 1528 CA GLU A 96 11.407 7.626 -3.179 1.00 20.11 C ATOM 1529 C GLU A 96 10.589 8.855 -2.769 1.00 73.04 C ATOM 1530 O GLU A 96 11.145 9.927 -2.511 1.00 31.20 O ATOM 1531 CB GLU A 96 11.430 7.505 -4.730 1.00 22.33 C ATOM 1532 CG GLU A 96 12.350 6.400 -5.275 1.00 54.12 C ATOM 1533 CD GLU A 96 13.832 6.589 -4.909 1.00 21.22 C ATOM 1534 OE1 GLU A 96 14.541 7.313 -5.642 1.00 12.14 O ATOM 1535 OE2 GLU A 96 14.300 6.005 -3.902 1.00 41.51 O ATOM 0 H GLU A 96 10.538 5.707 -3.246 1.00 75.13 H new ATOM 0 HA GLU A 96 12.429 7.746 -2.820 1.00 20.11 H new ATOM 0 HB2 GLU A 96 10.415 7.320 -5.081 1.00 22.33 H new ATOM 0 HB3 GLU A 96 11.744 8.460 -5.151 1.00 22.33 H new ATOM 0 HG2 GLU A 96 12.011 5.437 -4.893 1.00 54.12 H new ATOM 0 HG3 GLU A 96 12.255 6.364 -6.360 1.00 54.12 H new ATOM 1542 N TRP A 97 9.268 8.659 -2.707 1.00 1.03 N ATOM 1543 CA TRP A 97 8.310 9.683 -2.286 1.00 60.34 C ATOM 1544 C TRP A 97 8.516 10.025 -0.810 1.00 10.13 C ATOM 1545 O TRP A 97 8.489 11.192 -0.434 1.00 73.20 O ATOM 1546 CB TRP A 97 6.871 9.180 -2.532 1.00 41.23 C ATOM 1547 CG TRP A 97 6.560 8.873 -3.979 1.00 34.23 C ATOM 1548 CD1 TRP A 97 7.203 9.348 -5.089 1.00 34.02 C ATOM 1549 CD2 TRP A 97 5.515 8.024 -4.464 1.00 25.25 C ATOM 1550 NE1 TRP A 97 6.639 8.828 -6.220 1.00 23.50 N ATOM 1551 CE2 TRP A 97 5.599 8.016 -5.865 1.00 14.13 C ATOM 1552 CE3 TRP A 97 4.522 7.269 -3.845 1.00 70.31 C ATOM 1553 CZ2 TRP A 97 4.722 7.287 -6.655 1.00 2.05 C ATOM 1554 CZ3 TRP A 97 3.660 6.539 -4.626 1.00 2.31 C ATOM 1555 CH2 TRP A 97 3.770 6.553 -6.019 1.00 13.02 C ATOM 0 H TRP A 97 8.829 7.771 -2.952 1.00 1.03 H new ATOM 0 HA TRP A 97 8.471 10.588 -2.871 1.00 60.34 H new ATOM 0 HB2 TRP A 97 6.706 8.281 -1.938 1.00 41.23 H new ATOM 0 HB3 TRP A 97 6.169 9.932 -2.173 1.00 41.23 H new ATOM 0 HD1 TRP A 97 8.036 10.035 -5.074 1.00 34.02 H new ATOM 0 HE1 TRP A 97 6.945 9.016 -7.175 1.00 23.50 H new ATOM 0 HE3 TRP A 97 4.431 7.258 -2.769 1.00 70.31 H new ATOM 0 HZ2 TRP A 97 4.793 7.302 -7.733 1.00 2.05 H new ATOM 0 HZ3 TRP A 97 2.888 5.947 -4.158 1.00 2.31 H new ATOM 0 HH2 TRP A 97 3.080 5.965 -6.606 1.00 13.02 H new ATOM 1566 N LEU A 98 8.746 8.983 0.009 1.00 11.32 N ATOM 1567 CA LEU A 98 9.000 9.135 1.448 1.00 1.11 C ATOM 1568 C LEU A 98 10.320 9.897 1.689 1.00 10.44 C ATOM 1569 O LEU A 98 10.397 10.715 2.590 1.00 53.10 O ATOM 1570 CB LEU A 98 9.027 7.740 2.126 1.00 2.13 C ATOM 1571 CG LEU A 98 9.264 7.718 3.672 1.00 11.24 C ATOM 1572 CD1 LEU A 98 8.200 8.543 4.421 1.00 44.14 C ATOM 1573 CD2 LEU A 98 9.315 6.269 4.194 1.00 61.44 C ATOM 0 H LEU A 98 8.760 8.014 -0.310 1.00 11.32 H new ATOM 0 HA LEU A 98 8.195 9.720 1.892 1.00 1.11 H new ATOM 0 HB2 LEU A 98 8.080 7.242 1.919 1.00 2.13 H new ATOM 0 HB3 LEU A 98 9.809 7.146 1.653 1.00 2.13 H new ATOM 0 HG LEU A 98 10.230 8.184 3.867 1.00 11.24 H new ATOM 0 HD11 LEU A 98 8.397 8.504 5.492 1.00 44.14 H new ATOM 0 HD12 LEU A 98 8.238 9.578 4.082 1.00 44.14 H new ATOM 0 HD13 LEU A 98 7.211 8.131 4.219 1.00 44.14 H new ATOM 0 HD21 LEU A 98 9.481 6.276 5.271 1.00 61.44 H new ATOM 0 HD22 LEU A 98 8.371 5.770 3.975 1.00 61.44 H new ATOM 0 HD23 LEU A 98 10.130 5.735 3.705 1.00 61.44 H new ATOM 1585 N GLN A 99 11.338 9.637 0.842 1.00 41.15 N ATOM 1586 CA GLN A 99 12.652 10.314 0.922 1.00 63.45 C ATOM 1587 C GLN A 99 12.549 11.784 0.468 1.00 61.33 C ATOM 1588 O GLN A 99 13.382 12.610 0.836 1.00 12.11 O ATOM 1589 CB GLN A 99 13.718 9.565 0.074 1.00 4.32 C ATOM 1590 CG GLN A 99 13.920 8.082 0.454 1.00 44.14 C ATOM 1591 CD GLN A 99 14.261 7.839 1.930 1.00 23.21 C ATOM 1592 OE1 GLN A 99 14.952 8.629 2.576 1.00 55.52 O ATOM 1593 NE2 GLN A 99 13.751 6.753 2.486 1.00 12.44 N ATOM 0 H GLN A 99 11.274 8.955 0.086 1.00 41.15 H new ATOM 0 HA GLN A 99 12.966 10.297 1.966 1.00 63.45 H new ATOM 0 HB2 GLN A 99 13.432 9.621 -0.976 1.00 4.32 H new ATOM 0 HB3 GLN A 99 14.671 10.084 0.173 1.00 4.32 H new ATOM 0 HG2 GLN A 99 13.012 7.531 0.210 1.00 44.14 H new ATOM 0 HG3 GLN A 99 14.719 7.669 -0.162 1.00 44.14 H new ATOM 0 HE21 GLN A 99 13.182 6.114 1.930 1.00 12.44 H new ATOM 0 HE22 GLN A 99 13.926 6.554 3.471 1.00 12.44 H new ATOM 1602 N ALA A 100 11.551 12.069 -0.384 1.00 35.20 N ATOM 1603 CA ALA A 100 11.261 13.425 -0.869 1.00 73.41 C ATOM 1604 C ALA A 100 10.515 14.247 0.202 1.00 42.21 C ATOM 1605 O ALA A 100 10.810 15.433 0.407 1.00 45.03 O ATOM 1606 CB ALA A 100 10.446 13.331 -2.167 1.00 54.10 C ATOM 0 H ALA A 100 10.920 11.360 -0.757 1.00 35.20 H new ATOM 0 HA ALA A 100 12.198 13.943 -1.074 1.00 73.41 H new ATOM 0 HB1 ALA A 100 10.227 14.334 -2.533 1.00 54.10 H new ATOM 0 HB2 ALA A 100 11.020 12.788 -2.918 1.00 54.10 H new ATOM 0 HB3 ALA A 100 9.512 12.804 -1.973 1.00 54.10 H new ATOM 1612 N GLU A 101 9.549 13.595 0.878 1.00 2.15 N ATOM 1613 CA GLU A 101 8.743 14.219 1.945 1.00 22.12 C ATOM 1614 C GLU A 101 9.599 14.485 3.189 1.00 32.42 C ATOM 1615 O GLU A 101 9.487 15.539 3.825 1.00 61.41 O ATOM 1616 CB GLU A 101 7.543 13.308 2.311 1.00 13.32 C ATOM 1617 CG GLU A 101 6.517 13.113 1.182 1.00 63.42 C ATOM 1618 CD GLU A 101 5.790 14.400 0.781 1.00 21.35 C ATOM 1619 OE1 GLU A 101 4.829 14.794 1.485 1.00 0.00 O ATOM 1620 OE2 GLU A 101 6.185 15.047 -0.219 1.00 54.32 O ATOM 0 H GLU A 101 9.306 12.621 0.699 1.00 2.15 H new ATOM 0 HA GLU A 101 8.366 15.173 1.575 1.00 22.12 H new ATOM 0 HB2 GLU A 101 7.924 12.331 2.610 1.00 13.32 H new ATOM 0 HB3 GLU A 101 7.034 13.731 3.177 1.00 13.32 H new ATOM 0 HG2 GLU A 101 7.025 12.706 0.308 1.00 63.42 H new ATOM 0 HG3 GLU A 101 5.781 12.373 1.496 1.00 63.42 H new