USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -37:sc= 0.205 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 76:sc= 0.912 USER MOD Single : A 65 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.151 8.481 -7.612 1.00 0.00 N ATOM 21 CA VAL A 2 -7.561 7.710 -6.477 1.00 0.00 C ATOM 22 C VAL A 2 -6.530 6.708 -7.006 1.00 0.00 C ATOM 23 O VAL A 2 -6.850 5.831 -7.784 1.00 0.00 O ATOM 24 CB VAL A 2 -8.738 6.976 -5.832 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.269 6.295 -4.545 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.850 7.976 -5.499 1.00 0.00 C ATOM 0 HA VAL A 2 -7.048 8.355 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.120 6.227 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.107 5.772 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.479 5.581 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.887 7.046 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.687 7.450 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.469 8.726 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.186 8.464 -6.414 1.00 0.00 H new ATOM 36 N LYS A 3 -5.296 6.833 -6.597 1.00 0.00 N ATOM 37 CA LYS A 3 -4.252 5.884 -7.087 1.00 0.00 C ATOM 38 C LYS A 3 -3.294 5.502 -5.955 1.00 0.00 C ATOM 39 O LYS A 3 -2.930 6.322 -5.135 1.00 0.00 O ATOM 40 CB LYS A 3 -3.500 6.655 -8.176 1.00 0.00 C ATOM 41 CG LYS A 3 -4.054 6.275 -9.551 1.00 0.00 C ATOM 42 CD LYS A 3 -4.819 7.464 -10.137 1.00 0.00 C ATOM 43 CE LYS A 3 -5.762 6.972 -11.238 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.640 7.982 -12.326 1.00 0.00 N ATOM 0 H LYS A 3 -4.966 7.547 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.687 4.956 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.605 7.728 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.435 6.428 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.240 5.988 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.713 5.411 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.387 7.966 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.120 8.196 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.478 5.979 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.788 6.902 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.258 7.715 -13.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.923 8.916 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.654 8.022 -12.654 1.00 0.00 H new ATOM 58 N ILE A 4 -2.866 4.269 -5.913 1.00 0.00 N ATOM 59 CA ILE A 4 -1.918 3.848 -4.850 1.00 0.00 C ATOM 60 C ILE A 4 -0.512 3.725 -5.442 1.00 0.00 C ATOM 61 O ILE A 4 -0.328 3.196 -6.521 1.00 0.00 O ATOM 62 CB ILE A 4 -2.442 2.510 -4.336 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.742 2.749 -3.570 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.412 1.867 -3.404 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.425 1.413 -3.306 1.00 0.00 C ATOM 0 H ILE A 4 -3.134 3.537 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.851 4.567 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.622 1.842 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.534 3.256 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.401 3.400 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.795 0.913 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.482 1.702 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.225 2.528 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.353 1.581 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.646 0.924 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.765 0.778 -2.715 1.00 0.00 H new ATOM 77 N ARG A 5 0.480 4.224 -4.757 1.00 0.00 N ATOM 78 CA ARG A 5 1.863 4.150 -5.293 1.00 0.00 C ATOM 79 C ARG A 5 2.878 4.106 -4.151 1.00 0.00 C ATOM 80 O ARG A 5 2.527 3.942 -3.003 1.00 0.00 O ATOM 81 CB ARG A 5 2.038 5.425 -6.118 1.00 0.00 C ATOM 82 CG ARG A 5 1.892 6.645 -5.203 1.00 0.00 C ATOM 83 CD ARG A 5 2.338 7.902 -5.953 1.00 0.00 C ATOM 84 NE ARG A 5 3.362 8.534 -5.070 1.00 0.00 N ATOM 85 CZ ARG A 5 3.764 9.766 -5.280 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.274 10.475 -6.267 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.663 10.293 -4.494 1.00 0.00 N ATOM 0 H ARG A 5 0.390 4.680 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 5 2.023 3.252 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.017 5.430 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.294 5.462 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.856 6.749 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.494 6.513 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.757 7.652 -6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.499 8.575 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 5 3.755 8.002 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.570 10.071 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.596 11.431 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.048 9.748 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.980 11.250 -4.651 1.00 0.00 H new ATOM 101 N LEU A 6 4.135 4.265 -4.460 1.00 0.00 N ATOM 102 CA LEU A 6 5.175 4.237 -3.394 1.00 0.00 C ATOM 103 C LEU A 6 5.397 5.641 -2.830 1.00 0.00 C ATOM 104 O LEU A 6 5.640 6.583 -3.557 1.00 0.00 O ATOM 105 CB LEU A 6 6.445 3.754 -4.092 1.00 0.00 C ATOM 106 CG LEU A 6 6.385 2.242 -4.279 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.691 1.919 -5.603 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.806 1.678 -4.296 1.00 0.00 C ATOM 0 H LEU A 6 4.487 4.413 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 6 4.887 3.594 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.550 4.246 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.321 4.023 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 6 5.825 1.794 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.648 0.838 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.679 2.324 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.251 2.365 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.767 0.597 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.365 2.125 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.301 1.909 -3.353 1.00 0.00 H new ATOM 120 N ALA A 7 5.316 5.785 -1.538 1.00 0.00 N ATOM 121 CA ALA A 7 5.523 7.122 -0.921 1.00 0.00 C ATOM 122 C ALA A 7 6.942 7.229 -0.364 1.00 0.00 C ATOM 123 O ALA A 7 7.261 6.663 0.657 1.00 0.00 O ATOM 124 CB ALA A 7 4.498 7.177 0.200 1.00 0.00 C ATOM 0 H ALA A 7 5.115 5.031 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 7 5.404 7.941 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.575 8.134 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.497 7.069 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.686 6.367 0.905 1.00 0.00 H new ATOM 130 N ARG A 8 7.799 7.934 -1.040 1.00 0.00 N ATOM 131 CA ARG A 8 9.208 8.057 -0.574 1.00 0.00 C ATOM 132 C ARG A 8 9.338 8.928 0.681 1.00 0.00 C ATOM 133 O ARG A 8 8.985 10.090 0.683 1.00 0.00 O ATOM 134 CB ARG A 8 9.934 8.729 -1.737 1.00 0.00 C ATOM 135 CG ARG A 8 11.446 8.587 -1.547 1.00 0.00 C ATOM 136 CD ARG A 8 11.974 9.781 -0.747 1.00 0.00 C ATOM 137 NE ARG A 8 13.456 9.604 -0.719 1.00 0.00 N ATOM 138 CZ ARG A 8 14.191 9.915 -1.761 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.644 10.364 -2.862 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.487 9.771 -1.700 1.00 0.00 N ATOM 0 H ARG A 8 7.585 8.435 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 8 9.614 7.082 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.631 8.274 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.661 9.783 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.672 7.657 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.942 8.537 -2.516 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.698 10.724 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.559 9.795 0.261 1.00 0.00 H new ATOM 0 HE ARG A 8 13.903 9.237 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.632 10.477 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.230 10.601 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.921 9.419 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.065 10.010 -2.505 1.00 0.00 H new ATOM 276 N TYR A 17 9.508 3.101 1.023 1.00 0.00 N ATOM 277 CA TYR A 17 8.327 3.826 0.517 1.00 0.00 C ATOM 278 C TYR A 17 7.086 3.085 0.977 1.00 0.00 C ATOM 279 O TYR A 17 7.101 1.878 1.078 1.00 0.00 O ATOM 280 CB TYR A 17 8.392 3.730 -0.997 1.00 0.00 C ATOM 281 CG TYR A 17 9.670 4.306 -1.529 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.882 3.648 -1.309 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.638 5.490 -2.266 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.063 4.176 -1.826 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.818 6.022 -2.784 1.00 0.00 C ATOM 286 CZ TYR A 17 12.037 5.366 -2.566 1.00 0.00 C ATOM 287 OH TYR A 17 13.207 5.891 -3.079 1.00 0.00 O ATOM 0 HA TYR A 17 8.302 4.859 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.308 2.687 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.544 4.258 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.904 2.731 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.698 5.995 -2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.000 3.667 -1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.793 6.940 -3.353 1.00 0.00 H new ATOM 0 HH TYR A 17 13.009 6.718 -3.566 1.00 0.00 H new ATOM 297 N ARG A 18 6.004 3.759 1.211 1.00 0.00 N ATOM 298 CA ARG A 18 4.785 3.016 1.602 1.00 0.00 C ATOM 299 C ARG A 18 3.904 2.889 0.373 1.00 0.00 C ATOM 300 O ARG A 18 4.008 3.668 -0.555 1.00 0.00 O ATOM 301 CB ARG A 18 4.094 3.853 2.671 1.00 0.00 C ATOM 302 CG ARG A 18 4.243 3.191 4.041 1.00 0.00 C ATOM 303 CD ARG A 18 3.800 4.178 5.124 1.00 0.00 C ATOM 304 NE ARG A 18 3.059 3.355 6.124 1.00 0.00 N ATOM 305 CZ ARG A 18 3.701 2.669 7.041 1.00 0.00 C ATOM 306 NH1 ARG A 18 5.011 2.656 7.083 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.023 1.982 7.920 1.00 0.00 N ATOM 0 H ARG A 18 5.910 4.773 1.150 1.00 0.00 H new ATOM 0 HA ARG A 18 5.002 2.019 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.525 4.854 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.038 3.967 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.639 2.285 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.279 2.893 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.657 4.674 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.164 4.959 4.708 1.00 0.00 H new ATOM 0 HE ARG A 18 2.040 3.325 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.549 3.185 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.493 2.117 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.003 1.981 7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.513 1.446 8.636 1.00 0.00 H new ATOM 321 N ILE A 19 3.012 1.957 0.368 1.00 0.00 N ATOM 322 CA ILE A 19 2.103 1.831 -0.783 1.00 0.00 C ATOM 323 C ILE A 19 0.852 2.529 -0.299 1.00 0.00 C ATOM 324 O ILE A 19 -0.053 1.933 0.250 1.00 0.00 O ATOM 325 CB ILE A 19 1.886 0.330 -1.047 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.004 -0.532 -0.448 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.906 0.077 -2.547 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.350 -0.042 -0.974 1.00 0.00 C ATOM 0 H ILE A 19 2.873 1.275 1.113 1.00 0.00 H new ATOM 0 HA ILE A 19 2.456 2.262 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 19 0.933 0.064 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.982 -0.473 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.855 -1.579 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.753 -0.985 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.111 0.650 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.869 0.384 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.149 -0.651 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.367 -0.123 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.496 0.999 -0.686 1.00 0.00 H new ATOM 340 N VAL A 20 0.875 3.825 -0.395 1.00 0.00 N ATOM 341 CA VAL A 20 -0.216 4.646 0.163 1.00 0.00 C ATOM 342 C VAL A 20 -1.237 5.043 -0.906 1.00 0.00 C ATOM 343 O VAL A 20 -1.062 4.791 -2.081 1.00 0.00 O ATOM 344 CB VAL A 20 0.559 5.846 0.765 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.455 7.104 -0.104 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.028 6.149 2.162 1.00 0.00 C ATOM 0 H VAL A 20 1.620 4.355 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.831 4.134 0.903 1.00 0.00 H new ATOM 0 HB VAL A 20 1.611 5.564 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.015 7.915 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.867 6.899 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.591 7.394 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.574 6.993 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.032 6.396 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.162 5.275 2.800 1.00 0.00 H new ATOM 356 N VAL A 21 -2.326 5.620 -0.480 1.00 0.00 N ATOM 357 CA VAL A 21 -3.405 5.999 -1.428 1.00 0.00 C ATOM 358 C VAL A 21 -3.579 7.518 -1.444 1.00 0.00 C ATOM 359 O VAL A 21 -4.068 8.105 -0.499 1.00 0.00 O ATOM 360 CB VAL A 21 -4.691 5.323 -0.895 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.529 4.847 -2.072 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.382 4.107 -0.016 1.00 0.00 C ATOM 0 H VAL A 21 -2.514 5.847 0.496 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.176 5.683 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.222 6.062 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.437 4.370 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.796 5.699 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.956 4.131 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.315 3.665 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.827 3.370 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.784 4.419 0.840 1.00 0.00 H new ATOM 372 N THR A 22 -3.185 8.160 -2.507 1.00 0.00 N ATOM 373 CA THR A 22 -3.332 9.641 -2.576 1.00 0.00 C ATOM 374 C THR A 22 -3.773 10.064 -3.978 1.00 0.00 C ATOM 375 O THR A 22 -4.254 9.264 -4.758 1.00 0.00 O ATOM 376 CB THR A 22 -1.942 10.198 -2.255 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.941 11.606 -2.436 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.903 9.564 -3.180 1.00 0.00 C ATOM 0 H THR A 22 -2.768 7.725 -3.330 1.00 0.00 H new ATOM 0 HA THR A 22 -4.086 10.013 -1.882 1.00 0.00 H new ATOM 0 HB THR A 22 -1.692 9.964 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.052 11.962 -2.229 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.084 9.964 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.900 8.483 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.151 9.792 -4.217 1.00 0.00 H new ATOM 543 N TYR A 32 -1.764 11.517 1.631 1.00 0.00 N ATOM 544 CA TYR A 32 -2.642 10.428 1.101 1.00 0.00 C ATOM 545 C TYR A 32 -3.901 10.280 1.955 1.00 0.00 C ATOM 546 O TYR A 32 -4.071 10.945 2.958 1.00 0.00 O ATOM 547 CB TYR A 32 -1.804 9.144 1.165 1.00 0.00 C ATOM 548 CG TYR A 32 -1.140 9.024 2.518 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.843 8.479 3.599 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.177 9.462 2.689 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.226 8.372 4.851 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.794 9.355 3.939 1.00 0.00 C ATOM 553 CZ TYR A 32 0.094 8.810 5.021 1.00 0.00 C ATOM 554 OH TYR A 32 0.702 8.706 6.255 1.00 0.00 O ATOM 0 HA TYR A 32 -2.971 10.647 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.439 8.277 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.048 9.154 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.860 8.141 3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.718 9.883 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.767 7.952 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.811 9.693 4.069 1.00 0.00 H new ATOM 0 HH TYR A 32 1.616 9.054 6.200 1.00 0.00 H new ATOM 564 N ILE A 33 -4.786 9.408 1.557 1.00 0.00 N ATOM 565 CA ILE A 33 -6.041 9.201 2.330 1.00 0.00 C ATOM 566 C ILE A 33 -5.781 8.247 3.499 1.00 0.00 C ATOM 567 O ILE A 33 -6.106 8.532 4.634 1.00 0.00 O ATOM 568 CB ILE A 33 -7.016 8.576 1.330 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.174 9.502 0.119 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.377 8.382 1.996 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.430 8.662 -1.134 1.00 0.00 C ATOM 0 H ILE A 33 -4.692 8.827 0.724 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.431 10.126 2.754 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.627 7.611 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.001 10.193 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.275 10.105 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.071 7.937 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.270 7.723 2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.763 9.347 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.543 9.319 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.589 7.989 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.341 8.079 -1.001 1.00 0.00 H new ATOM 583 N GLU A 34 -5.188 7.115 3.227 1.00 0.00 N ATOM 584 CA GLU A 34 -4.894 6.141 4.318 1.00 0.00 C ATOM 585 C GLU A 34 -3.680 5.287 3.943 1.00 0.00 C ATOM 586 O GLU A 34 -3.397 5.075 2.784 1.00 0.00 O ATOM 587 CB GLU A 34 -6.147 5.272 4.428 1.00 0.00 C ATOM 588 CG GLU A 34 -6.360 4.869 5.888 1.00 0.00 C ATOM 589 CD GLU A 34 -7.661 5.485 6.404 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.713 4.966 6.068 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.584 6.465 7.126 1.00 0.00 O ATOM 0 H GLU A 34 -4.894 6.823 2.295 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.661 6.635 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.015 5.818 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.042 4.383 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.400 3.783 5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.520 5.206 6.495 1.00 0.00 H new ATOM 598 N LYS A 35 -2.959 4.797 4.912 1.00 0.00 N ATOM 599 CA LYS A 35 -1.764 3.961 4.598 1.00 0.00 C ATOM 600 C LYS A 35 -2.166 2.485 4.491 1.00 0.00 C ATOM 601 O LYS A 35 -2.480 1.840 5.472 1.00 0.00 O ATOM 602 CB LYS A 35 -0.806 4.180 5.774 1.00 0.00 C ATOM 603 CG LYS A 35 -1.447 3.675 7.069 1.00 0.00 C ATOM 604 CD LYS A 35 -1.247 4.706 8.180 1.00 0.00 C ATOM 605 CE LYS A 35 -0.768 4.000 9.451 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.087 4.943 10.558 1.00 0.00 N ATOM 0 H LYS A 35 -3.143 4.938 5.905 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.305 4.232 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.132 3.655 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.565 5.239 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.511 3.496 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.002 2.723 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.517 5.454 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.181 5.233 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.275 3.045 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.301 3.790 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.788 4.529 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.585 5.841 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.112 5.119 10.580 1.00 0.00 H new ATOM 620 N ILE A 36 -2.173 1.946 3.301 1.00 0.00 N ATOM 621 CA ILE A 36 -2.571 0.514 3.143 1.00 0.00 C ATOM 622 C ILE A 36 -1.355 -0.387 3.008 1.00 0.00 C ATOM 623 O ILE A 36 -1.354 -1.512 3.470 1.00 0.00 O ATOM 624 CB ILE A 36 -3.400 0.466 1.863 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.528 0.876 0.664 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.580 1.424 1.998 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.350 0.839 -0.618 1.00 0.00 C ATOM 0 H ILE A 36 -1.923 2.429 2.438 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.125 0.161 4.013 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.769 -0.547 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.129 1.878 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.675 0.203 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.178 1.396 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.196 1.125 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.210 2.437 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.723 1.131 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.727 -0.171 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.188 1.530 -0.533 1.00 0.00 H new ATOM 639 N GLY A 37 -0.339 0.071 2.348 1.00 0.00 N ATOM 640 CA GLY A 37 0.842 -0.798 2.155 1.00 0.00 C ATOM 641 C GLY A 37 2.111 -0.191 2.740 1.00 0.00 C ATOM 642 O GLY A 37 2.186 0.979 3.059 1.00 0.00 O ATOM 0 H GLY A 37 -0.274 1.002 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.657 -1.766 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.987 -0.979 1.090 1.00 0.00 H new ATOM 646 N TYR A 38 3.127 -1.003 2.821 1.00 0.00 N ATOM 647 CA TYR A 38 4.455 -0.543 3.314 1.00 0.00 C ATOM 648 C TYR A 38 5.550 -1.216 2.475 1.00 0.00 C ATOM 649 O TYR A 38 5.603 -2.427 2.385 1.00 0.00 O ATOM 650 CB TYR A 38 4.536 -0.993 4.776 1.00 0.00 C ATOM 651 CG TYR A 38 5.933 -0.750 5.311 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.605 0.444 5.009 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.558 -1.719 6.106 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.896 0.665 5.503 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.849 -1.496 6.600 1.00 0.00 C ATOM 656 CZ TYR A 38 8.519 -0.306 6.299 1.00 0.00 C ATOM 657 OH TYR A 38 9.792 -0.087 6.787 1.00 0.00 O ATOM 0 H TYR A 38 3.092 -1.988 2.560 1.00 0.00 H new ATOM 0 HA TYR A 38 4.585 0.536 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.807 -0.447 5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.285 -2.051 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.126 1.193 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.043 -2.640 6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.412 1.585 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.328 -2.244 7.214 1.00 0.00 H new ATOM 0 HH TYR A 38 10.323 0.387 6.114 1.00 0.00 H new ATOM 667 N TYR A 39 6.430 -0.462 1.875 1.00 0.00 N ATOM 668 CA TYR A 39 7.512 -1.104 1.069 1.00 0.00 C ATOM 669 C TYR A 39 8.873 -0.591 1.565 1.00 0.00 C ATOM 670 O TYR A 39 9.109 0.601 1.607 1.00 0.00 O ATOM 671 CB TYR A 39 7.275 -0.689 -0.389 1.00 0.00 C ATOM 672 CG TYR A 39 8.477 -1.064 -1.232 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.911 -2.393 -1.268 1.00 0.00 C ATOM 674 CD2 TYR A 39 9.154 -0.086 -1.969 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.024 -2.748 -2.041 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.267 -0.441 -2.743 1.00 0.00 C ATOM 677 CZ TYR A 39 10.701 -1.770 -2.779 1.00 0.00 C ATOM 678 OH TYR A 39 11.796 -2.119 -3.544 1.00 0.00 O ATOM 0 H TYR A 39 6.449 0.557 1.905 1.00 0.00 H new ATOM 0 HA TYR A 39 7.505 -2.190 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.381 -1.179 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.100 0.385 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.387 -3.147 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.819 0.940 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.359 -3.774 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.790 0.313 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 39 12.148 -1.323 -3.993 1.00 0.00 H new ATOM 688 N ASP A 40 9.769 -1.462 1.942 1.00 0.00 N ATOM 689 CA ASP A 40 11.097 -0.983 2.431 1.00 0.00 C ATOM 690 C ASP A 40 12.223 -1.886 1.913 1.00 0.00 C ATOM 691 O ASP A 40 12.650 -2.793 2.600 1.00 0.00 O ATOM 692 CB ASP A 40 11.007 -1.059 3.956 1.00 0.00 C ATOM 693 CG ASP A 40 12.287 -0.491 4.575 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.270 -0.379 3.860 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.263 -0.181 5.754 1.00 0.00 O ATOM 0 H ASP A 40 9.643 -2.474 1.934 1.00 0.00 H new ATOM 0 HA ASP A 40 11.321 0.025 2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.141 -0.498 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.866 -2.093 4.271 1.00 0.00 H new ATOM 838 N LEU A 49 8.173 -6.488 2.160 1.00 0.00 N ATOM 839 CA LEU A 49 6.817 -6.091 1.685 1.00 0.00 C ATOM 840 C LEU A 49 5.767 -6.360 2.766 1.00 0.00 C ATOM 841 O LEU A 49 5.502 -7.492 3.121 1.00 0.00 O ATOM 842 CB LEU A 49 6.562 -6.985 0.474 1.00 0.00 C ATOM 843 CG LEU A 49 5.333 -6.495 -0.291 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.521 -6.784 -1.777 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.089 -7.228 0.216 1.00 0.00 C ATOM 0 HA LEU A 49 6.758 -5.029 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.433 -6.981 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.412 -8.015 0.798 1.00 0.00 H new ATOM 0 HG LEU A 49 5.209 -5.423 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.647 -6.437 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.409 -6.265 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.642 -7.857 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.213 -6.878 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.210 -8.300 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.957 -7.029 1.279 1.00 0.00 H new ATOM 857 N LYS A 50 5.160 -5.331 3.280 1.00 0.00 N ATOM 858 CA LYS A 50 4.115 -5.529 4.324 1.00 0.00 C ATOM 859 C LYS A 50 2.877 -4.705 3.967 1.00 0.00 C ATOM 860 O LYS A 50 2.797 -3.531 4.268 1.00 0.00 O ATOM 861 CB LYS A 50 4.743 -5.023 5.622 1.00 0.00 C ATOM 862 CG LYS A 50 3.893 -5.483 6.806 1.00 0.00 C ATOM 863 CD LYS A 50 4.793 -5.730 8.018 1.00 0.00 C ATOM 864 CE LYS A 50 4.847 -7.230 8.315 1.00 0.00 C ATOM 865 NZ LYS A 50 3.645 -7.501 9.154 1.00 0.00 N ATOM 0 H LYS A 50 5.340 -4.360 3.024 1.00 0.00 H new ATOM 0 HA LYS A 50 3.801 -6.569 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.760 -5.403 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.809 -3.935 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.144 -4.728 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.355 -6.395 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.796 -5.351 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.411 -5.190 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.827 -7.815 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.764 -7.495 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.613 -8.511 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.695 -6.935 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.787 -7.246 8.624 1.00 0.00 H new ATOM 879 N VAL A 51 1.916 -5.302 3.314 1.00 0.00 N ATOM 880 CA VAL A 51 0.702 -4.530 2.934 1.00 0.00 C ATOM 881 C VAL A 51 -0.546 -5.112 3.598 1.00 0.00 C ATOM 882 O VAL A 51 -0.756 -6.309 3.621 1.00 0.00 O ATOM 883 CB VAL A 51 0.626 -4.640 1.386 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.811 -4.900 0.900 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.095 -3.334 0.762 1.00 0.00 C ATOM 0 H VAL A 51 1.920 -6.282 3.030 1.00 0.00 H new ATOM 0 HA VAL A 51 0.755 -3.492 3.262 1.00 0.00 H new ATOM 0 HB VAL A 51 1.260 -5.476 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.820 -4.970 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.176 -5.834 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.456 -4.080 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.042 -3.410 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.455 -2.519 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.124 -3.136 1.062 1.00 0.00 H new ATOM 895 N ASP A 52 -1.404 -4.261 4.072 1.00 0.00 N ATOM 896 CA ASP A 52 -2.672 -4.745 4.654 1.00 0.00 C ATOM 897 C ASP A 52 -3.638 -4.923 3.490 1.00 0.00 C ATOM 898 O ASP A 52 -4.532 -4.124 3.295 1.00 0.00 O ATOM 899 CB ASP A 52 -3.137 -3.628 5.585 1.00 0.00 C ATOM 900 CG ASP A 52 -3.761 -4.237 6.842 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.921 -4.611 6.780 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.068 -4.320 7.843 1.00 0.00 O ATOM 0 H ASP A 52 -1.279 -3.249 4.080 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.592 -5.685 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.294 -2.992 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.864 -2.995 5.076 1.00 0.00 H new ATOM 907 N VAL A 53 -3.416 -5.941 2.685 1.00 0.00 N ATOM 908 CA VAL A 53 -4.273 -6.181 1.471 1.00 0.00 C ATOM 909 C VAL A 53 -5.740 -5.812 1.736 1.00 0.00 C ATOM 910 O VAL A 53 -6.436 -5.376 0.844 1.00 0.00 O ATOM 911 CB VAL A 53 -4.088 -7.680 1.081 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.851 -8.560 2.310 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.319 -8.207 0.323 1.00 0.00 C ATOM 0 H VAL A 53 -2.670 -6.623 2.818 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.969 -5.542 0.642 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.210 -7.730 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.727 -9.597 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.951 -8.227 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.706 -8.484 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.165 -9.254 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.202 -8.117 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.463 -7.624 -0.587 1.00 0.00 H new ATOM 923 N GLU A 54 -6.211 -5.948 2.943 1.00 0.00 N ATOM 924 CA GLU A 54 -7.619 -5.561 3.213 1.00 0.00 C ATOM 925 C GLU A 54 -7.790 -4.075 2.897 1.00 0.00 C ATOM 926 O GLU A 54 -8.638 -3.686 2.121 1.00 0.00 O ATOM 927 CB GLU A 54 -7.847 -5.842 4.699 1.00 0.00 C ATOM 928 CG GLU A 54 -8.195 -7.320 4.891 1.00 0.00 C ATOM 929 CD GLU A 54 -8.805 -7.530 6.279 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.182 -6.548 6.897 1.00 0.00 O ATOM 931 OE2 GLU A 54 -8.882 -8.672 6.703 1.00 0.00 O ATOM 0 H GLU A 54 -5.689 -6.305 3.743 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.336 -6.112 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.952 -5.591 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.654 -5.215 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.898 -7.641 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.300 -7.932 4.780 1.00 0.00 H new ATOM 938 N ARG A 55 -6.968 -3.247 3.476 1.00 0.00 N ATOM 939 CA ARG A 55 -7.053 -1.791 3.194 1.00 0.00 C ATOM 940 C ARG A 55 -6.553 -1.532 1.772 1.00 0.00 C ATOM 941 O ARG A 55 -7.114 -0.747 1.032 1.00 0.00 O ATOM 942 CB ARG A 55 -6.128 -1.134 4.219 1.00 0.00 C ATOM 943 CG ARG A 55 -6.961 -0.549 5.360 1.00 0.00 C ATOM 944 CD ARG A 55 -7.442 0.850 4.973 1.00 0.00 C ATOM 945 NE ARG A 55 -8.761 0.633 4.313 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.835 0.373 5.026 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.772 0.291 6.331 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.979 0.190 4.425 1.00 0.00 N ATOM 0 H ARG A 55 -6.238 -3.518 4.135 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.068 -1.400 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.422 -1.867 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.541 -0.348 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.814 -1.194 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.366 -0.502 6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.539 1.491 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.738 1.337 4.298 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.831 0.687 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.881 0.429 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.614 0.089 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.036 0.249 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.816 -0.012 4.972 1.00 0.00 H new ATOM 962 N ALA A 56 -5.517 -2.214 1.372 1.00 0.00 N ATOM 963 CA ALA A 56 -5.000 -2.037 -0.003 1.00 0.00 C ATOM 964 C ALA A 56 -6.061 -2.544 -0.985 1.00 0.00 C ATOM 965 O ALA A 56 -6.055 -2.207 -2.154 1.00 0.00 O ATOM 966 CB ALA A 56 -3.707 -2.866 -0.049 1.00 0.00 C ATOM 0 H ALA A 56 -5.008 -2.888 1.944 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.790 -1.002 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.260 -2.788 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.007 -2.489 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.936 -3.910 0.164 1.00 0.00 H new ATOM 972 N ARG A 57 -7.000 -3.333 -0.508 1.00 0.00 N ATOM 973 CA ARG A 57 -8.073 -3.830 -1.399 1.00 0.00 C ATOM 974 C ARG A 57 -9.250 -2.841 -1.390 1.00 0.00 C ATOM 975 O ARG A 57 -10.028 -2.776 -2.321 1.00 0.00 O ATOM 976 CB ARG A 57 -8.493 -5.183 -0.822 1.00 0.00 C ATOM 977 CG ARG A 57 -9.698 -5.722 -1.594 1.00 0.00 C ATOM 978 CD ARG A 57 -10.250 -6.958 -0.881 1.00 0.00 C ATOM 979 NE ARG A 57 -10.900 -6.430 0.354 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.705 -7.184 1.066 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.946 -8.425 0.720 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.270 -6.693 2.135 1.00 0.00 N ATOM 0 H ARG A 57 -7.060 -3.647 0.461 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.742 -3.929 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.664 -5.888 -0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.743 -5.077 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.470 -4.956 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.406 -5.977 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.966 -7.489 -1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.454 -7.663 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.717 -5.471 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.506 -8.817 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.574 -8.999 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.085 -5.729 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.897 -7.273 2.693 1.00 0.00 H new ATOM 996 N TYR A 58 -9.357 -2.050 -0.354 1.00 0.00 N ATOM 997 CA TYR A 58 -10.447 -1.039 -0.279 1.00 0.00 C ATOM 998 C TYR A 58 -10.265 -0.091 -1.442 1.00 0.00 C ATOM 999 O TYR A 58 -11.185 0.290 -2.140 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.183 -0.305 1.039 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.962 0.995 1.105 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.292 1.034 0.679 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.350 2.158 1.600 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.015 2.231 0.741 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.076 3.356 1.664 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.409 3.392 1.235 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.123 4.573 1.301 1.00 0.00 O ATOM 0 H TYR A 58 -8.729 -2.064 0.449 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.452 -1.458 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.463 -0.943 1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.117 -0.099 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.763 0.139 0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.322 2.130 1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.042 2.259 0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.607 4.252 2.044 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.553 5.280 1.669 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.050 0.291 -1.618 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.693 1.232 -2.696 1.00 0.00 C ATOM 1019 C TRP A 59 -8.835 0.554 -4.043 1.00 0.00 C ATOM 1020 O TRP A 59 -9.588 0.985 -4.890 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.261 1.613 -2.365 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.351 2.350 -1.083 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.844 1.966 0.105 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.075 3.566 -0.851 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.205 2.906 1.061 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.964 3.920 0.508 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.801 4.390 -1.706 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.569 5.073 1.006 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.411 5.548 -1.217 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.297 5.891 0.137 1.00 0.00 C ATOM 0 H TRP A 59 -8.264 -0.017 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.333 2.112 -2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.629 0.730 -2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.826 2.234 -3.148 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.256 1.078 0.283 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.943 2.855 2.046 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.893 4.133 -2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.476 5.331 2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.973 6.182 -1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.771 6.787 0.509 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.163 -0.535 -4.232 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.318 -1.271 -5.514 1.00 0.00 C ATOM 1043 C LEU A 60 -9.812 -1.548 -5.737 1.00 0.00 C ATOM 1044 O LEU A 60 -10.263 -1.746 -6.848 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.545 -2.578 -5.327 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.057 -2.342 -5.596 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.259 -3.574 -5.165 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.840 -2.095 -7.090 1.00 0.00 C ATOM 0 H LEU A 60 -7.515 -0.950 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.945 -0.717 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.686 -2.953 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.930 -3.340 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.721 -1.473 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.199 -3.406 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.412 -3.752 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.597 -4.442 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.780 -1.927 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.177 -2.964 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.408 -1.218 -7.400 1.00 0.00 H new ATOM 1060 N SER A 61 -10.585 -1.549 -4.671 1.00 0.00 N ATOM 1061 CA SER A 61 -12.044 -1.796 -4.800 1.00 0.00 C ATOM 1062 C SER A 61 -12.771 -0.516 -5.231 1.00 0.00 C ATOM 1063 O SER A 61 -13.857 -0.568 -5.776 1.00 0.00 O ATOM 1064 CB SER A 61 -12.501 -2.228 -3.407 1.00 0.00 C ATOM 1065 OG SER A 61 -12.277 -3.623 -3.252 1.00 0.00 O ATOM 0 H SER A 61 -10.258 -1.388 -3.718 1.00 0.00 H new ATOM 0 HA SER A 61 -12.264 -2.551 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.955 -1.673 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.558 -2.000 -3.271 1.00 0.00 H new ATOM 0 HG SER A 61 -11.323 -3.786 -3.097 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.191 0.638 -4.999 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.868 1.894 -5.407 1.00 0.00 C ATOM 1073 C VAL A 62 -12.292 2.374 -6.739 1.00 0.00 C ATOM 1074 O VAL A 62 -12.213 3.555 -7.013 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.602 2.918 -4.284 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.876 2.293 -2.911 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.148 3.409 -4.328 1.00 0.00 C ATOM 0 H VAL A 62 -11.284 0.757 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.940 1.754 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.272 3.763 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.683 3.029 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.916 1.972 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.223 1.432 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.983 4.130 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.474 2.562 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.953 3.884 -5.290 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.893 1.452 -7.563 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.318 1.820 -8.885 1.00 0.00 C ATOM 1089 C GLY A 63 -9.974 2.524 -8.687 1.00 0.00 C ATOM 1090 O GLY A 63 -9.580 3.359 -9.478 1.00 0.00 O ATOM 0 H GLY A 63 -11.940 0.450 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.185 0.927 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.006 2.473 -9.422 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.262 2.197 -7.641 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.949 2.854 -7.408 1.00 0.00 C ATOM 1096 C ALA A 64 -6.891 2.261 -8.339 1.00 0.00 C ATOM 1097 O ALA A 64 -6.729 1.060 -8.423 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.609 2.557 -5.947 1.00 0.00 C ATOM 0 H ALA A 64 -9.534 1.506 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.982 3.925 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.650 3.010 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.384 2.970 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.550 1.479 -5.799 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.173 3.092 -9.044 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.129 2.573 -9.972 1.00 0.00 C ATOM 1106 C GLN A 65 -3.757 2.557 -9.282 1.00 0.00 C ATOM 1107 O GLN A 65 -3.188 3.600 -9.024 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.120 3.550 -11.147 1.00 0.00 C ATOM 1109 CG GLN A 65 -4.884 2.776 -12.445 1.00 0.00 C ATOM 1110 CD GLN A 65 -3.411 2.883 -12.845 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -2.726 3.804 -12.443 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -2.891 1.975 -13.624 1.00 0.00 N ATOM 0 H GLN A 65 -6.264 4.108 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.337 1.551 -10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.068 4.086 -11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.338 4.297 -11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.160 1.730 -12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.517 3.174 -13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.465 1.203 -13.961 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.910 2.037 -13.896 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.264 1.374 -9.003 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.947 1.246 -8.345 1.00 0.00 C ATOM 1123 C PRO A 66 -0.825 1.355 -9.382 1.00 0.00 C ATOM 1124 O PRO A 66 -0.851 0.703 -10.406 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.986 -0.153 -7.742 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.962 -0.925 -8.577 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.875 0.064 -9.263 1.00 0.00 C ATOM 0 HA PRO A 66 -1.759 2.022 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.000 -0.616 -7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.301 -0.122 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.436 -1.533 -9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.540 -1.608 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.944 -0.136 -10.332 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.888 0.012 -8.863 1.00 0.00 H new ATOM 1135 N THR A 67 0.161 2.171 -9.125 1.00 0.00 N ATOM 1136 CA THR A 67 1.284 2.312 -10.098 1.00 0.00 C ATOM 1137 C THR A 67 1.854 0.932 -10.439 1.00 0.00 C ATOM 1138 O THR A 67 1.657 -0.021 -9.716 1.00 0.00 O ATOM 1139 CB THR A 67 2.327 3.163 -9.376 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.640 2.564 -8.127 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.771 4.569 -9.146 1.00 0.00 C ATOM 0 H THR A 67 0.238 2.745 -8.286 1.00 0.00 H new ATOM 0 HA THR A 67 0.969 2.768 -11.037 1.00 0.00 H new ATOM 0 HB THR A 67 3.229 3.228 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.310 3.107 -7.662 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.516 5.175 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.531 5.027 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.869 4.508 -8.537 1.00 0.00 H new ATOM 1149 N ASP A 68 2.554 0.813 -11.533 1.00 0.00 N ATOM 1150 CA ASP A 68 3.124 -0.514 -11.912 1.00 0.00 C ATOM 1151 C ASP A 68 4.066 -1.036 -10.822 1.00 0.00 C ATOM 1152 O ASP A 68 4.401 -2.203 -10.788 1.00 0.00 O ATOM 1153 CB ASP A 68 3.889 -0.264 -13.211 1.00 0.00 C ATOM 1154 CG ASP A 68 2.911 -0.249 -14.387 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.907 -0.937 -14.306 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.183 0.450 -15.350 1.00 0.00 O ATOM 0 H ASP A 68 2.757 1.574 -12.181 1.00 0.00 H new ATOM 0 HA ASP A 68 2.347 -1.268 -12.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.421 0.686 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.639 -1.041 -13.359 1.00 0.00 H new ATOM 1161 N THR A 69 4.497 -0.188 -9.932 1.00 0.00 N ATOM 1162 CA THR A 69 5.417 -0.645 -8.851 1.00 0.00 C ATOM 1163 C THR A 69 4.624 -1.054 -7.613 1.00 0.00 C ATOM 1164 O THR A 69 4.779 -2.141 -7.092 1.00 0.00 O ATOM 1165 CB THR A 69 6.265 0.569 -8.529 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.671 1.202 -9.734 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.494 0.150 -7.720 1.00 0.00 C ATOM 0 H THR A 69 4.253 0.802 -9.905 1.00 0.00 H new ATOM 0 HA THR A 69 6.009 -1.507 -9.158 1.00 0.00 H new ATOM 0 HB THR A 69 5.676 1.269 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.218 1.987 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.097 1.029 -7.493 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.174 -0.320 -6.790 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.087 -0.558 -8.299 1.00 0.00 H new ATOM 1175 N ALA A 70 3.772 -0.189 -7.138 1.00 0.00 N ATOM 1176 CA ALA A 70 2.971 -0.527 -5.940 1.00 0.00 C ATOM 1177 C ALA A 70 1.948 -1.577 -6.327 1.00 0.00 C ATOM 1178 O ALA A 70 1.556 -2.402 -5.529 1.00 0.00 O ATOM 1179 CB ALA A 70 2.288 0.775 -5.521 1.00 0.00 C ATOM 0 H ALA A 70 3.599 0.736 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 70 3.571 -0.928 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.676 0.597 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.045 1.526 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.655 1.132 -6.334 1.00 0.00 H new ATOM 1185 N ARG A 71 1.541 -1.577 -7.563 1.00 0.00 N ATOM 1186 CA ARG A 71 0.580 -2.597 -8.004 1.00 0.00 C ATOM 1187 C ARG A 71 1.282 -3.936 -7.913 1.00 0.00 C ATOM 1188 O ARG A 71 0.719 -4.924 -7.487 1.00 0.00 O ATOM 1189 CB ARG A 71 0.239 -2.252 -9.456 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.603 -3.373 -10.067 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.042 -2.971 -11.477 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.675 -4.130 -12.341 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.637 -4.009 -13.648 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.915 -2.868 -14.227 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.317 -5.041 -14.381 1.00 0.00 N ATOM 0 H ARG A 71 1.836 -0.913 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.330 -2.633 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.307 -1.310 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.154 -2.116 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.026 -4.297 -10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.476 -3.567 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.113 -2.774 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.538 -2.061 -11.803 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.451 -5.028 -11.911 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.166 -2.057 -13.662 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.881 -2.790 -15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.099 -5.933 -13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.285 -4.955 -15.397 1.00 0.00 H new ATOM 1209 N ARG A 72 2.534 -3.963 -8.286 1.00 0.00 N ATOM 1210 CA ARG A 72 3.287 -5.229 -8.200 1.00 0.00 C ATOM 1211 C ARG A 72 3.396 -5.646 -6.736 1.00 0.00 C ATOM 1212 O ARG A 72 3.495 -6.812 -6.412 1.00 0.00 O ATOM 1213 CB ARG A 72 4.664 -4.924 -8.790 1.00 0.00 C ATOM 1214 CG ARG A 72 4.891 -5.807 -10.015 1.00 0.00 C ATOM 1215 CD ARG A 72 6.063 -5.261 -10.835 1.00 0.00 C ATOM 1216 NE ARG A 72 6.377 -6.338 -11.819 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.070 -6.079 -12.902 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.504 -4.868 -13.151 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.329 -7.042 -13.744 1.00 0.00 N ATOM 0 H ARG A 72 3.058 -3.164 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 72 2.806 -6.046 -8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.729 -3.872 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.440 -5.106 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.098 -6.831 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.989 -5.836 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.794 -4.332 -11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.922 -5.043 -10.200 1.00 0.00 H new ATOM 0 HE ARG A 72 6.048 -7.288 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.304 -4.110 -12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.042 -4.683 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.993 -7.987 -13.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.867 -6.850 -14.589 1.00 0.00 H new ATOM 1233 N LEU A 73 3.367 -4.691 -5.849 1.00 0.00 N ATOM 1234 CA LEU A 73 3.453 -5.008 -4.410 1.00 0.00 C ATOM 1235 C LEU A 73 2.064 -5.328 -3.878 1.00 0.00 C ATOM 1236 O LEU A 73 1.907 -6.144 -2.993 1.00 0.00 O ATOM 1237 CB LEU A 73 4.026 -3.753 -3.752 1.00 0.00 C ATOM 1238 CG LEU A 73 5.363 -3.399 -4.404 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.681 -1.925 -4.152 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.469 -4.268 -3.799 1.00 0.00 C ATOM 0 H LEU A 73 3.287 -3.698 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 73 4.080 -5.876 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.327 -2.923 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.163 -3.920 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 73 5.302 -3.579 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.634 -1.674 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.894 -1.305 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.742 -1.744 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.423 -4.017 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.528 -4.087 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.244 -5.320 -3.977 1.00 0.00 H new ATOM 1252 N LEU A 74 1.045 -4.728 -4.433 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.321 -5.058 -3.967 1.00 0.00 C ATOM 1254 C LEU A 74 -0.612 -6.487 -4.411 1.00 0.00 C ATOM 1255 O LEU A 74 -1.343 -7.219 -3.777 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.257 -4.059 -4.651 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.052 -2.675 -4.045 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.823 -1.637 -4.862 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.560 -2.668 -2.602 1.00 0.00 C ATOM 0 H LEU A 74 1.103 -4.034 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.444 -4.995 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.058 -4.032 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.294 -4.372 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 74 0.010 -2.429 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.675 -0.649 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.459 -1.639 -5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.885 -1.882 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.413 -1.678 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.621 -2.916 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.008 -3.405 -2.018 1.00 0.00 H new ATOM 1271 N ARG A 75 0.001 -6.897 -5.492 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.186 -8.280 -5.983 1.00 0.00 C ATOM 1273 C ARG A 75 0.712 -9.202 -5.177 1.00 0.00 C ATOM 1274 O ARG A 75 0.414 -10.362 -4.968 1.00 0.00 O ATOM 1275 CB ARG A 75 0.247 -8.249 -7.448 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.916 -8.696 -8.332 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.385 -9.083 -9.714 1.00 0.00 C ATOM 1278 NE ARG A 75 -1.278 -8.380 -10.680 1.00 0.00 N ATOM 1279 CZ ARG A 75 -2.489 -8.827 -10.922 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -2.944 -9.900 -10.324 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -3.248 -8.192 -11.772 1.00 0.00 N ATOM 0 H ARG A 75 0.627 -6.322 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.211 -8.636 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.562 -7.243 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.105 -8.904 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.428 -9.544 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.647 -7.893 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.653 -8.774 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.416 -10.163 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.944 -7.543 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.355 -10.402 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.887 -10.234 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.899 -7.356 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.190 -8.531 -11.967 1.00 0.00 H new ATOM 1295 N GLN A 76 1.811 -8.684 -4.711 1.00 0.00 N ATOM 1296 CA GLN A 76 2.733 -9.502 -3.910 1.00 0.00 C ATOM 1297 C GLN A 76 2.191 -9.634 -2.501 1.00 0.00 C ATOM 1298 O GLN A 76 2.307 -10.661 -1.862 1.00 0.00 O ATOM 1299 CB GLN A 76 4.033 -8.720 -3.945 1.00 0.00 C ATOM 1300 CG GLN A 76 5.208 -9.648 -3.653 1.00 0.00 C ATOM 1301 CD GLN A 76 5.568 -10.416 -4.925 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.707 -11.622 -4.903 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.729 -9.760 -6.042 1.00 0.00 N ATOM 0 H GLN A 76 2.105 -7.718 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 76 2.865 -10.518 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.161 -8.254 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.003 -7.915 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.066 -9.071 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.948 -10.343 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.612 -8.747 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.972 -10.261 -6.897 1.00 0.00 H new ATOM 1312 N ALA A 77 1.570 -8.604 -2.032 1.00 0.00 N ATOM 1313 CA ALA A 77 0.973 -8.649 -0.678 1.00 0.00 C ATOM 1314 C ALA A 77 -0.220 -9.617 -0.668 1.00 0.00 C ATOM 1315 O ALA A 77 -0.758 -9.941 0.372 1.00 0.00 O ATOM 1316 CB ALA A 77 0.511 -7.220 -0.399 1.00 0.00 C ATOM 0 H ALA A 77 1.447 -7.723 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 77 1.677 -8.999 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.056 -7.171 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.367 -6.547 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.220 -6.921 -1.150 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.638 -10.082 -1.823 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.791 -11.026 -1.880 1.00 0.00 C ATOM 1324 C GLY A 78 -3.103 -10.242 -1.973 1.00 0.00 C ATOM 1325 O GLY A 78 -3.998 -10.426 -1.176 1.00 0.00 O ATOM 0 H GLY A 78 -0.228 -9.846 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.690 -11.686 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.798 -11.659 -0.993 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.225 -9.367 -2.938 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.479 -8.575 -3.066 1.00 0.00 C ATOM 1331 C VAL A 79 -5.206 -8.887 -4.381 1.00 0.00 C ATOM 1332 O VAL A 79 -6.290 -8.395 -4.627 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.044 -7.115 -3.051 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.282 -6.217 -3.037 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.200 -6.831 -1.807 1.00 0.00 C ATOM 0 H VAL A 79 -2.511 -9.169 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.173 -8.811 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.449 -6.912 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.973 -5.172 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.881 -6.409 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.875 -6.429 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.894 -5.785 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.788 -7.038 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.315 -7.468 -1.814 1.00 0.00 H new