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 180:sc= 0 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 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.375 K(o=-0.38,f=-3.1!) USER MOD Single : A 67 THR OG1 : rot 135:sc= -1.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.621 8.161 -6.658 1.00 0.00 N ATOM 21 CA VAL A 2 -7.573 7.731 -5.687 1.00 0.00 C ATOM 22 C VAL A 2 -6.494 6.909 -6.401 1.00 0.00 C ATOM 23 O VAL A 2 -6.762 6.217 -7.361 1.00 0.00 O ATOM 24 CB VAL A 2 -8.315 6.874 -4.664 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.329 6.369 -3.608 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.395 7.719 -3.986 1.00 0.00 C ATOM 0 HA VAL A 2 -7.067 8.576 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.775 6.023 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.859 5.757 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.555 5.771 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.869 7.219 -3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.927 7.111 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.931 8.567 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.098 8.082 -4.736 1.00 0.00 H new ATOM 36 N LYS A 3 -5.274 6.988 -5.945 1.00 0.00 N ATOM 37 CA LYS A 3 -4.180 6.216 -6.605 1.00 0.00 C ATOM 38 C LYS A 3 -3.223 5.641 -5.554 1.00 0.00 C ATOM 39 O LYS A 3 -2.753 6.349 -4.685 1.00 0.00 O ATOM 40 CB LYS A 3 -3.440 7.237 -7.475 1.00 0.00 C ATOM 41 CG LYS A 3 -4.433 7.982 -8.373 1.00 0.00 C ATOM 42 CD LYS A 3 -5.080 6.994 -9.343 1.00 0.00 C ATOM 43 CE LYS A 3 -4.620 7.305 -10.770 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.498 8.420 -11.221 1.00 0.00 N ATOM 0 H LYS A 3 -4.986 7.552 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.568 5.378 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.907 7.947 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.693 6.731 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.198 8.466 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.920 8.769 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.807 5.973 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.166 7.061 -9.277 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.570 7.596 -10.792 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.723 6.434 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.244 8.691 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.491 8.112 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.373 9.237 -10.590 1.00 0.00 H new ATOM 58 N ILE A 4 -2.910 4.374 -5.630 1.00 0.00 N ATOM 59 CA ILE A 4 -1.964 3.793 -4.637 1.00 0.00 C ATOM 60 C ILE A 4 -0.569 3.699 -5.268 1.00 0.00 C ATOM 61 O ILE A 4 -0.405 3.199 -6.364 1.00 0.00 O ATOM 62 CB ILE A 4 -2.533 2.418 -4.269 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.720 2.609 -3.320 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.465 1.569 -3.571 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.334 1.248 -2.986 1.00 0.00 C ATOM 0 H ILE A 4 -3.265 3.723 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.860 4.402 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.852 1.909 -5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.392 3.105 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.468 3.253 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.884 0.596 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.614 1.434 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.137 2.073 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.178 1.386 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.677 0.769 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.585 0.619 -2.506 1.00 0.00 H new ATOM 77 N ARG A 5 0.436 4.195 -4.594 1.00 0.00 N ATOM 78 CA ARG A 5 1.809 4.153 -5.166 1.00 0.00 C ATOM 79 C ARG A 5 2.859 4.087 -4.055 1.00 0.00 C ATOM 80 O ARG A 5 2.537 3.988 -2.890 1.00 0.00 O ATOM 81 CB ARG A 5 1.948 5.453 -5.960 1.00 0.00 C ATOM 82 CG ARG A 5 1.639 6.643 -5.049 1.00 0.00 C ATOM 83 CD ARG A 5 1.715 7.941 -5.856 1.00 0.00 C ATOM 84 NE ARG A 5 2.121 8.983 -4.870 1.00 0.00 N ATOM 85 CZ ARG A 5 1.966 10.259 -5.135 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.444 10.652 -6.271 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.338 11.148 -4.256 1.00 0.00 N ATOM 0 H ARG A 5 0.363 4.627 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 5 1.963 3.272 -5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.958 5.541 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.267 5.446 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.646 6.532 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.349 6.675 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.439 7.860 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.754 8.180 -6.310 1.00 0.00 H new ATOM 0 HE ARG A 5 2.525 8.700 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.152 9.963 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.330 11.647 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.746 10.850 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.221 12.142 -4.455 1.00 0.00 H new ATOM 101 N LEU A 6 4.116 4.147 -4.410 1.00 0.00 N ATOM 102 CA LEU A 6 5.193 4.082 -3.381 1.00 0.00 C ATOM 103 C LEU A 6 5.538 5.478 -2.861 1.00 0.00 C ATOM 104 O LEU A 6 5.855 6.376 -3.615 1.00 0.00 O ATOM 105 CB LEU A 6 6.396 3.488 -4.114 1.00 0.00 C ATOM 106 CG LEU A 6 6.353 1.967 -4.009 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.877 1.373 -5.335 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.751 1.439 -3.688 1.00 0.00 C ATOM 0 H LEU A 6 4.443 4.239 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 6 4.891 3.490 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.384 3.792 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.322 3.867 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 6 5.663 1.679 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.847 0.286 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.879 1.748 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.564 1.661 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.721 0.352 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.440 1.729 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.090 1.859 -2.741 1.00 0.00 H new ATOM 120 N ALA A 7 5.479 5.660 -1.571 1.00 0.00 N ATOM 121 CA ALA A 7 5.802 6.988 -0.979 1.00 0.00 C ATOM 122 C ALA A 7 7.231 6.988 -0.437 1.00 0.00 C ATOM 123 O ALA A 7 7.534 6.317 0.520 1.00 0.00 O ATOM 124 CB ALA A 7 4.803 7.132 0.160 1.00 0.00 C ATOM 0 H ALA A 7 5.219 4.940 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 7 5.739 7.803 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.960 8.086 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.789 7.094 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.943 6.319 0.872 1.00 0.00 H new ATOM 130 N ARG A 8 8.117 7.720 -1.050 1.00 0.00 N ATOM 131 CA ARG A 8 9.531 7.734 -0.577 1.00 0.00 C ATOM 132 C ARG A 8 9.723 8.652 0.636 1.00 0.00 C ATOM 133 O ARG A 8 9.496 9.843 0.568 1.00 0.00 O ATOM 134 CB ARG A 8 10.328 8.277 -1.762 1.00 0.00 C ATOM 135 CG ARG A 8 11.827 8.127 -1.487 1.00 0.00 C ATOM 136 CD ARG A 8 12.509 9.494 -1.600 1.00 0.00 C ATOM 137 NE ARG A 8 13.356 9.404 -2.826 1.00 0.00 N ATOM 138 CZ ARG A 8 14.184 10.375 -3.143 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.299 11.437 -2.386 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.906 10.276 -4.226 1.00 0.00 N ATOM 0 H ARG A 8 7.924 8.310 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 8 9.848 6.741 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.059 7.739 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.082 9.326 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.985 7.712 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.269 7.429 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.775 10.295 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.113 9.708 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 8 13.292 8.580 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.742 11.520 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.946 12.181 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.825 9.450 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.551 11.025 -4.479 1.00 0.00 H new ATOM 276 N TYR A 17 9.650 2.746 1.162 1.00 0.00 N ATOM 277 CA TYR A 17 8.492 3.507 0.655 1.00 0.00 C ATOM 278 C TYR A 17 7.231 2.864 1.175 1.00 0.00 C ATOM 279 O TYR A 17 7.229 1.713 1.554 1.00 0.00 O ATOM 280 CB TYR A 17 8.506 3.340 -0.860 1.00 0.00 C ATOM 281 CG TYR A 17 9.781 3.853 -1.473 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.992 3.199 -1.232 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.741 4.968 -2.314 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.164 3.663 -1.831 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.912 5.436 -2.913 1.00 0.00 C ATOM 286 CZ TYR A 17 12.127 4.783 -2.673 1.00 0.00 C ATOM 287 OH TYR A 17 13.286 5.243 -3.265 1.00 0.00 O ATOM 0 HA TYR A 17 8.534 4.553 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.382 2.286 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.657 3.871 -1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.021 2.336 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.803 5.469 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.101 3.158 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.881 6.300 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 17 13.082 6.026 -3.818 1.00 0.00 H new ATOM 297 N ARG A 18 6.148 3.566 1.158 1.00 0.00 N ATOM 298 CA ARG A 18 4.895 2.943 1.604 1.00 0.00 C ATOM 299 C ARG A 18 3.972 2.849 0.405 1.00 0.00 C ATOM 300 O ARG A 18 4.025 3.669 -0.492 1.00 0.00 O ATOM 301 CB ARG A 18 4.327 3.860 2.681 1.00 0.00 C ATOM 302 CG ARG A 18 3.505 3.034 3.654 1.00 0.00 C ATOM 303 CD ARG A 18 3.308 3.815 4.955 1.00 0.00 C ATOM 304 NE ARG A 18 4.529 3.533 5.765 1.00 0.00 N ATOM 305 CZ ARG A 18 4.828 4.267 6.811 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.067 5.273 7.167 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.899 3.994 7.505 1.00 0.00 N ATOM 0 H ARG A 18 6.078 4.538 0.856 1.00 0.00 H new ATOM 0 HA ARG A 18 5.029 1.939 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.135 4.367 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.707 4.634 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.538 2.792 3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.008 2.089 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.201 4.882 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.406 3.493 5.476 1.00 0.00 H new ATOM 0 HE ARG A 18 5.140 2.759 5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.229 5.494 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.312 5.834 7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.498 3.214 7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.137 4.560 8.319 1.00 0.00 H new ATOM 321 N ILE A 19 3.104 1.891 0.388 1.00 0.00 N ATOM 322 CA ILE A 19 2.165 1.792 -0.739 1.00 0.00 C ATOM 323 C ILE A 19 0.923 2.452 -0.189 1.00 0.00 C ATOM 324 O ILE A 19 0.034 1.832 0.360 1.00 0.00 O ATOM 325 CB ILE A 19 1.975 0.302 -1.062 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.173 -0.548 -0.588 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.865 0.138 -2.575 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.973 -2.011 -0.994 1.00 0.00 C ATOM 0 H ILE A 19 3.006 1.174 1.107 1.00 0.00 H new ATOM 0 HA ILE A 19 2.476 2.263 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 19 1.076 -0.036 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.096 -0.165 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.276 -0.474 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.730 -0.916 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.011 0.707 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.776 0.505 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.824 -2.602 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.060 -2.394 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.893 -2.080 -2.079 1.00 0.00 H new ATOM 340 N VAL A 20 0.954 3.750 -0.235 1.00 0.00 N ATOM 341 CA VAL A 20 -0.103 4.568 0.384 1.00 0.00 C ATOM 342 C VAL A 20 -1.147 5.010 -0.650 1.00 0.00 C ATOM 343 O VAL A 20 -0.963 4.863 -1.842 1.00 0.00 O ATOM 344 CB VAL A 20 0.725 5.731 0.993 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.592 7.030 0.193 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.294 5.969 2.436 1.00 0.00 C ATOM 0 H VAL A 20 1.692 4.287 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.710 4.055 1.130 1.00 0.00 H new ATOM 0 HB VAL A 20 1.773 5.435 0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.191 7.810 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.943 6.867 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.453 7.339 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.878 6.786 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.765 6.228 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.460 5.063 3.019 1.00 0.00 H new ATOM 356 N VAL A 21 -2.264 5.499 -0.186 1.00 0.00 N ATOM 357 CA VAL A 21 -3.356 5.896 -1.112 1.00 0.00 C ATOM 358 C VAL A 21 -3.538 7.416 -1.111 1.00 0.00 C ATOM 359 O VAL A 21 -3.945 8.002 -0.128 1.00 0.00 O ATOM 360 CB VAL A 21 -4.633 5.204 -0.578 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.427 4.645 -1.754 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.301 4.048 0.375 1.00 0.00 C ATOM 0 H VAL A 21 -2.466 5.641 0.804 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.135 5.601 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.210 5.949 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.328 4.156 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.704 5.458 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.817 3.921 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.225 3.590 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.704 3.303 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.738 4.429 1.227 1.00 0.00 H new ATOM 372 N THR A 22 -3.248 8.056 -2.208 1.00 0.00 N ATOM 373 CA THR A 22 -3.411 9.538 -2.273 1.00 0.00 C ATOM 374 C THR A 22 -4.075 9.940 -3.589 1.00 0.00 C ATOM 375 O THR A 22 -4.455 9.107 -4.387 1.00 0.00 O ATOM 376 CB THR A 22 -1.994 10.119 -2.196 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.031 11.490 -2.563 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.060 9.369 -3.151 1.00 0.00 C ATOM 0 H THR A 22 -2.905 7.619 -3.063 1.00 0.00 H new ATOM 0 HA THR A 22 -4.042 9.908 -1.465 1.00 0.00 H new ATOM 0 HB THR A 22 -1.622 10.013 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.127 11.866 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.057 9.792 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.028 8.315 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.429 9.466 -4.172 1.00 0.00 H new ATOM 543 N TYR A 32 -1.838 11.494 1.579 1.00 0.00 N ATOM 544 CA TYR A 32 -2.647 10.305 1.167 1.00 0.00 C ATOM 545 C TYR A 32 -3.844 10.122 2.101 1.00 0.00 C ATOM 546 O TYR A 32 -3.759 10.354 3.291 1.00 0.00 O ATOM 547 CB TYR A 32 -1.707 9.092 1.267 1.00 0.00 C ATOM 548 CG TYR A 32 -0.882 9.162 2.536 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.458 8.833 3.769 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.460 9.557 2.473 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.692 8.899 4.939 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.226 9.624 3.643 1.00 0.00 C ATOM 553 CZ TYR A 32 0.649 9.295 4.876 1.00 0.00 C ATOM 554 OH TYR A 32 1.404 9.362 6.031 1.00 0.00 O ATOM 0 HA TYR A 32 -3.039 10.426 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.290 8.171 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.048 9.063 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.493 8.528 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.904 9.810 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.136 8.644 5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.261 9.929 3.595 1.00 0.00 H new ATOM 0 HH TYR A 32 2.314 9.653 5.811 1.00 0.00 H new ATOM 564 N ILE A 33 -4.960 9.699 1.570 1.00 0.00 N ATOM 565 CA ILE A 33 -6.163 9.491 2.424 1.00 0.00 C ATOM 566 C ILE A 33 -5.823 8.543 3.578 1.00 0.00 C ATOM 567 O ILE A 33 -6.345 8.661 4.668 1.00 0.00 O ATOM 568 CB ILE A 33 -7.201 8.865 1.487 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.663 9.912 0.472 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.407 8.375 2.292 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.102 9.569 -0.910 1.00 0.00 C ATOM 0 H ILE A 33 -5.090 9.489 0.580 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.529 10.415 2.873 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.750 8.019 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.752 9.943 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.326 10.903 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.139 7.932 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.082 7.628 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.860 9.216 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.432 10.316 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.013 9.561 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.461 8.586 -1.215 1.00 0.00 H new ATOM 583 N GLU A 34 -4.950 7.603 3.342 1.00 0.00 N ATOM 584 CA GLU A 34 -4.575 6.645 4.420 1.00 0.00 C ATOM 585 C GLU A 34 -3.436 5.740 3.941 1.00 0.00 C ATOM 586 O GLU A 34 -3.026 5.796 2.798 1.00 0.00 O ATOM 587 CB GLU A 34 -5.840 5.825 4.677 1.00 0.00 C ATOM 588 CG GLU A 34 -6.379 6.134 6.075 1.00 0.00 C ATOM 589 CD GLU A 34 -7.906 6.200 6.027 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.420 7.142 5.446 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.536 5.309 6.571 1.00 0.00 O ATOM 0 H GLU A 34 -4.480 7.457 2.449 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.227 7.148 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.595 6.058 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.620 4.761 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.059 5.365 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.974 7.081 6.432 1.00 0.00 H new ATOM 598 N LYS A 35 -2.923 4.907 4.803 1.00 0.00 N ATOM 599 CA LYS A 35 -1.813 4.000 4.391 1.00 0.00 C ATOM 600 C LYS A 35 -2.289 2.543 4.415 1.00 0.00 C ATOM 601 O LYS A 35 -2.795 2.063 5.410 1.00 0.00 O ATOM 602 CB LYS A 35 -0.703 4.233 5.423 1.00 0.00 C ATOM 603 CG LYS A 35 -1.150 3.727 6.798 1.00 0.00 C ATOM 604 CD LYS A 35 -0.635 4.672 7.885 1.00 0.00 C ATOM 605 CE LYS A 35 -1.724 5.687 8.237 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.618 5.864 9.711 1.00 0.00 N ATOM 0 H LYS A 35 -3.223 4.814 5.773 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.465 4.200 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.206 3.716 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.463 5.295 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.238 3.668 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.769 2.720 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.352 4.104 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.260 5.189 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.569 6.630 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.711 5.323 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.334 6.547 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.776 4.951 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.670 6.218 9.951 1.00 0.00 H new ATOM 620 N ILE A 36 -2.132 1.836 3.329 1.00 0.00 N ATOM 621 CA ILE A 36 -2.581 0.411 3.303 1.00 0.00 C ATOM 622 C ILE A 36 -1.422 -0.523 3.007 1.00 0.00 C ATOM 623 O ILE A 36 -1.398 -1.649 3.466 1.00 0.00 O ATOM 624 CB ILE A 36 -3.651 0.336 2.212 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.054 0.711 0.848 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.777 1.311 2.557 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.388 -0.511 0.221 1.00 0.00 C ATOM 0 H ILE A 36 -1.715 2.179 2.463 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.977 0.097 4.269 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.036 -0.682 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.837 1.088 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.325 1.512 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.546 1.266 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.212 1.039 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.377 2.324 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.966 -0.239 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.593 -0.868 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.128 -1.299 0.085 1.00 0.00 H new ATOM 639 N GLY A 37 -0.461 -0.085 2.252 1.00 0.00 N ATOM 640 CA GLY A 37 0.674 -0.978 1.953 1.00 0.00 C ATOM 641 C GLY A 37 1.979 -0.397 2.479 1.00 0.00 C ATOM 642 O GLY A 37 2.130 0.796 2.629 1.00 0.00 O ATOM 0 H GLY A 37 -0.415 0.844 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.500 -1.956 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.748 -1.130 0.876 1.00 0.00 H new ATOM 646 N TYR A 38 2.936 -1.244 2.712 1.00 0.00 N ATOM 647 CA TYR A 38 4.274 -0.780 3.182 1.00 0.00 C ATOM 648 C TYR A 38 5.327 -1.361 2.241 1.00 0.00 C ATOM 649 O TYR A 38 5.189 -2.477 1.776 1.00 0.00 O ATOM 650 CB TYR A 38 4.440 -1.350 4.591 1.00 0.00 C ATOM 651 CG TYR A 38 5.606 -0.672 5.277 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.912 -0.857 4.798 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.382 0.137 6.397 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.986 -0.231 5.442 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.457 0.761 7.040 1.00 0.00 C ATOM 656 CZ TYR A 38 7.759 0.577 6.562 1.00 0.00 C ATOM 657 OH TYR A 38 8.818 1.193 7.197 1.00 0.00 O ATOM 0 H TYR A 38 2.851 -2.254 2.596 1.00 0.00 H new ATOM 0 HA TYR A 38 4.375 0.305 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.527 -1.197 5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.609 -2.426 4.542 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.088 -1.481 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.377 0.280 6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.991 -0.372 5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.282 1.384 7.905 1.00 0.00 H new ATOM 0 HH TYR A 38 8.485 1.717 7.955 1.00 0.00 H new ATOM 667 N TYR A 39 6.373 -0.639 1.941 1.00 0.00 N ATOM 668 CA TYR A 39 7.392 -1.209 1.015 1.00 0.00 C ATOM 669 C TYR A 39 8.813 -0.882 1.501 1.00 0.00 C ATOM 670 O TYR A 39 9.101 0.226 1.906 1.00 0.00 O ATOM 671 CB TYR A 39 7.131 -0.549 -0.340 1.00 0.00 C ATOM 672 CG TYR A 39 8.148 -1.065 -1.327 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.429 -0.508 -1.357 1.00 0.00 C ATOM 674 CD2 TYR A 39 7.819 -2.111 -2.191 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.385 -0.998 -2.255 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.772 -2.600 -3.093 1.00 0.00 C ATOM 677 CZ TYR A 39 10.056 -2.045 -3.123 1.00 0.00 C ATOM 678 OH TYR A 39 10.997 -2.530 -4.008 1.00 0.00 O ATOM 0 H TYR A 39 6.564 0.301 2.288 1.00 0.00 H new ATOM 0 HA TYR A 39 7.318 -2.295 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.121 -0.775 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.203 0.535 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.682 0.301 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.830 -2.543 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.376 -0.568 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.516 -3.405 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 39 10.605 -3.256 -4.536 1.00 0.00 H new ATOM 688 N ASP A 40 9.705 -1.835 1.453 1.00 0.00 N ATOM 689 CA ASP A 40 11.108 -1.570 1.899 1.00 0.00 C ATOM 690 C ASP A 40 12.100 -2.274 0.962 1.00 0.00 C ATOM 691 O ASP A 40 12.282 -3.470 1.045 1.00 0.00 O ATOM 692 CB ASP A 40 11.194 -2.153 3.312 1.00 0.00 C ATOM 693 CG ASP A 40 12.156 -1.312 4.155 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.126 -0.822 3.599 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.908 -1.174 5.340 1.00 0.00 O ATOM 0 H ASP A 40 9.526 -2.784 1.125 1.00 0.00 H new ATOM 0 HA ASP A 40 11.354 -0.508 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.206 -2.165 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.539 -3.186 3.270 1.00 0.00 H new ATOM 838 N LEU A 49 7.923 -6.653 1.694 1.00 0.00 N ATOM 839 CA LEU A 49 6.566 -6.183 1.286 1.00 0.00 C ATOM 840 C LEU A 49 5.546 -6.491 2.383 1.00 0.00 C ATOM 841 O LEU A 49 5.297 -7.634 2.712 1.00 0.00 O ATOM 842 CB LEU A 49 6.226 -6.979 0.025 1.00 0.00 C ATOM 843 CG LEU A 49 4.909 -6.467 -0.563 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.075 -6.238 -2.062 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.804 -7.499 -0.326 1.00 0.00 C ATOM 0 HA LEU A 49 6.546 -5.107 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.027 -6.879 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.142 -8.039 0.263 1.00 0.00 H new ATOM 0 HG LEU A 49 4.639 -5.529 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.137 -5.873 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.859 -5.501 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.348 -7.176 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.867 -7.132 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.074 -8.439 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.682 -7.663 0.745 1.00 0.00 H new ATOM 857 N LYS A 50 4.943 -5.482 2.938 1.00 0.00 N ATOM 858 CA LYS A 50 3.927 -5.715 4.001 1.00 0.00 C ATOM 859 C LYS A 50 2.676 -4.892 3.694 1.00 0.00 C ATOM 860 O LYS A 50 2.620 -3.709 3.968 1.00 0.00 O ATOM 861 CB LYS A 50 4.586 -5.241 5.297 1.00 0.00 C ATOM 862 CG LYS A 50 3.574 -5.320 6.441 1.00 0.00 C ATOM 863 CD LYS A 50 4.310 -5.243 7.780 1.00 0.00 C ATOM 864 CE LYS A 50 3.396 -4.605 8.829 1.00 0.00 C ATOM 865 NZ LYS A 50 3.876 -5.142 10.134 1.00 0.00 N ATOM 0 H LYS A 50 5.109 -4.503 2.703 1.00 0.00 H new ATOM 0 HA LYS A 50 3.621 -6.759 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.455 -5.859 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.943 -4.218 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.855 -4.504 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.009 -6.250 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.608 -6.241 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.223 -4.657 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.462 -3.517 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.352 -4.866 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.298 -4.750 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.795 -6.179 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.870 -4.872 10.276 1.00 0.00 H new ATOM 879 N VAL A 51 1.678 -5.497 3.110 1.00 0.00 N ATOM 880 CA VAL A 51 0.449 -4.726 2.774 1.00 0.00 C ATOM 881 C VAL A 51 -0.787 -5.344 3.419 1.00 0.00 C ATOM 882 O VAL A 51 -1.002 -6.539 3.376 1.00 0.00 O ATOM 883 CB VAL A 51 0.349 -4.783 1.229 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.114 -4.845 0.754 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.974 -3.531 0.639 1.00 0.00 C ATOM 0 H VAL A 51 1.660 -6.484 2.853 1.00 0.00 H new ATOM 0 HA VAL A 51 0.502 -3.703 3.146 1.00 0.00 H new ATOM 0 HB VAL A 51 0.869 -5.683 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.142 -4.884 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.591 -5.736 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.646 -3.959 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.905 -3.568 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.444 -2.652 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.022 -3.473 0.935 1.00 0.00 H new ATOM 895 N ASP A 52 -1.641 -4.516 3.939 1.00 0.00 N ATOM 896 CA ASP A 52 -2.906 -5.028 4.498 1.00 0.00 C ATOM 897 C ASP A 52 -3.859 -5.174 3.316 1.00 0.00 C ATOM 898 O ASP A 52 -4.759 -4.377 3.139 1.00 0.00 O ATOM 899 CB ASP A 52 -3.393 -3.947 5.465 1.00 0.00 C ATOM 900 CG ASP A 52 -4.395 -4.553 6.449 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.958 -5.095 7.451 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.582 -4.466 6.183 1.00 0.00 O ATOM 0 H ASP A 52 -1.514 -3.506 3.999 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.821 -5.982 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.548 -3.522 6.006 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.859 -3.132 4.911 1.00 0.00 H new ATOM 907 N VAL A 53 -3.616 -6.162 2.475 1.00 0.00 N ATOM 908 CA VAL A 53 -4.453 -6.372 1.239 1.00 0.00 C ATOM 909 C VAL A 53 -5.925 -6.010 1.492 1.00 0.00 C ATOM 910 O VAL A 53 -6.605 -5.536 0.608 1.00 0.00 O ATOM 911 CB VAL A 53 -4.259 -7.859 0.818 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.068 -8.767 2.034 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.464 -8.362 0.005 1.00 0.00 C ATOM 0 H VAL A 53 -2.863 -6.840 2.595 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.138 -5.714 0.429 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.361 -7.898 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.936 -9.797 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.186 -8.449 2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.946 -8.703 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.304 -9.403 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.368 -8.285 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.575 -7.756 -0.894 1.00 0.00 H new ATOM 923 N GLU A 54 -6.413 -6.191 2.688 1.00 0.00 N ATOM 924 CA GLU A 54 -7.822 -5.806 2.955 1.00 0.00 C ATOM 925 C GLU A 54 -7.976 -4.309 2.696 1.00 0.00 C ATOM 926 O GLU A 54 -8.818 -3.883 1.930 1.00 0.00 O ATOM 927 CB GLU A 54 -8.069 -6.145 4.426 1.00 0.00 C ATOM 928 CG GLU A 54 -7.826 -7.639 4.651 1.00 0.00 C ATOM 929 CD GLU A 54 -7.353 -7.869 6.087 1.00 0.00 C ATOM 930 OE1 GLU A 54 -6.657 -7.013 6.606 1.00 0.00 O ATOM 931 OE2 GLU A 54 -7.696 -8.900 6.644 1.00 0.00 O ATOM 0 H GLU A 54 -5.904 -6.583 3.480 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.537 -6.326 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.407 -5.558 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.091 -5.886 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.742 -8.199 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.079 -8.007 3.948 1.00 0.00 H new ATOM 938 N ARG A 55 -7.143 -3.510 3.302 1.00 0.00 N ATOM 939 CA ARG A 55 -7.216 -2.045 3.064 1.00 0.00 C ATOM 940 C ARG A 55 -6.680 -1.749 1.665 1.00 0.00 C ATOM 941 O ARG A 55 -7.236 -0.968 0.926 1.00 0.00 O ATOM 942 CB ARG A 55 -6.324 -1.410 4.131 1.00 0.00 C ATOM 943 CG ARG A 55 -6.942 -1.622 5.514 1.00 0.00 C ATOM 944 CD ARG A 55 -8.347 -1.009 5.560 1.00 0.00 C ATOM 945 NE ARG A 55 -8.172 0.403 5.108 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.745 1.327 5.937 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.418 1.029 7.169 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.633 2.559 5.523 1.00 0.00 N ATOM 0 H ARG A 55 -6.416 -3.810 3.951 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.232 -1.656 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.328 -1.852 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.207 -0.344 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.993 -2.687 5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.312 -1.165 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.034 -1.549 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.763 -1.052 6.567 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.387 0.653 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.493 0.066 7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.088 1.759 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.876 2.798 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.302 3.283 6.161 1.00 0.00 H new ATOM 962 N ALA A 56 -5.620 -2.404 1.279 1.00 0.00 N ATOM 963 CA ALA A 56 -5.080 -2.190 -0.083 1.00 0.00 C ATOM 964 C ALA A 56 -6.153 -2.624 -1.085 1.00 0.00 C ATOM 965 O ALA A 56 -6.133 -2.240 -2.238 1.00 0.00 O ATOM 966 CB ALA A 56 -3.827 -3.070 -0.158 1.00 0.00 C ATOM 0 H ALA A 56 -5.108 -3.076 1.851 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.823 -1.154 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.368 -2.966 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.117 -2.759 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.104 -4.112 0.005 1.00 0.00 H new ATOM 972 N ARG A 57 -7.115 -3.407 -0.642 1.00 0.00 N ATOM 973 CA ARG A 57 -8.198 -3.834 -1.555 1.00 0.00 C ATOM 974 C ARG A 57 -9.334 -2.801 -1.516 1.00 0.00 C ATOM 975 O ARG A 57 -10.047 -2.610 -2.480 1.00 0.00 O ATOM 976 CB ARG A 57 -8.677 -5.188 -1.024 1.00 0.00 C ATOM 977 CG ARG A 57 -9.920 -5.635 -1.801 1.00 0.00 C ATOM 978 CD ARG A 57 -9.761 -7.096 -2.227 1.00 0.00 C ATOM 979 NE ARG A 57 -9.687 -7.864 -0.951 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.391 -9.143 -0.952 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.148 -9.777 -2.073 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.339 -9.790 0.179 1.00 0.00 N ATOM 0 H ARG A 57 -7.185 -3.761 0.312 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.863 -3.914 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.886 -5.931 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.908 -5.112 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.809 -5.521 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.060 -5.003 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.603 -7.423 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.861 -7.237 -2.825 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.869 -7.390 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.187 -9.276 -2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.919 -10.771 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.528 -9.302 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.110 -10.784 0.188 1.00 0.00 H new ATOM 996 N TYR A 58 -9.480 -2.118 -0.410 1.00 0.00 N ATOM 997 CA TYR A 58 -10.535 -1.074 -0.294 1.00 0.00 C ATOM 998 C TYR A 58 -10.269 -0.038 -1.359 1.00 0.00 C ATOM 999 O TYR A 58 -11.143 0.450 -2.048 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.300 -0.462 1.089 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.997 0.881 1.221 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.274 1.061 0.684 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.360 1.943 1.884 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.922 2.297 0.808 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.008 3.179 2.006 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.290 3.356 1.470 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.928 4.573 1.593 1.00 0.00 O ATOM 0 H TYR A 58 -8.906 -2.242 0.424 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.551 -1.451 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.667 -1.142 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.230 -0.338 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.763 0.245 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.372 1.807 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.910 2.433 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.518 3.997 2.514 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.351 5.197 2.080 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.035 0.299 -1.454 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.598 1.313 -2.422 1.00 0.00 C ATOM 1019 C TRP A 59 -8.751 0.779 -3.833 1.00 0.00 C ATOM 1020 O TRP A 59 -9.460 1.335 -4.648 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.157 1.581 -2.017 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.253 2.240 -0.689 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.765 1.778 0.483 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -7.968 3.453 -0.389 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.110 2.674 1.485 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.858 3.726 0.988 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.681 4.339 -1.196 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.451 4.858 1.552 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.282 5.475 -0.641 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.167 5.737 0.731 1.00 0.00 C ATOM 0 H TRP A 59 -8.287 -0.097 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.181 2.234 -2.417 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.584 0.656 -1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.655 2.222 -2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.202 0.866 0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.845 2.570 2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.770 4.148 -2.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.358 5.053 2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.837 6.153 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.630 6.616 1.154 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.141 -0.326 -4.123 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.310 -0.916 -5.477 1.00 0.00 C ATOM 1043 C LEU A 60 -9.810 -1.092 -5.752 1.00 0.00 C ATOM 1044 O LEU A 60 -10.241 -1.171 -6.886 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.608 -2.273 -5.423 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.095 -2.070 -5.481 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.391 -3.337 -4.992 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.676 -1.780 -6.924 1.00 0.00 C ATOM 0 H LEU A 60 -7.535 -0.847 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.893 -0.292 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.880 -2.798 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.934 -2.896 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.816 -1.230 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.311 -3.192 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.690 -3.546 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.669 -4.177 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.597 -1.635 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.955 -2.620 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.178 -0.878 -7.274 1.00 0.00 H new ATOM 1060 N SER A 61 -10.610 -1.144 -4.710 1.00 0.00 N ATOM 1061 CA SER A 61 -12.076 -1.306 -4.901 1.00 0.00 C ATOM 1062 C SER A 61 -12.729 0.041 -5.240 1.00 0.00 C ATOM 1063 O SER A 61 -13.785 0.087 -5.838 1.00 0.00 O ATOM 1064 CB SER A 61 -12.602 -1.837 -3.568 1.00 0.00 C ATOM 1065 OG SER A 61 -13.981 -2.156 -3.705 1.00 0.00 O ATOM 0 H SER A 61 -10.304 -1.081 -3.739 1.00 0.00 H new ATOM 0 HA SER A 61 -12.304 -1.982 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.040 -2.721 -3.267 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.465 -1.091 -2.786 1.00 0.00 H new ATOM 0 HG SER A 61 -14.324 -2.499 -2.853 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.116 1.141 -4.874 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.722 2.456 -5.197 1.00 0.00 C ATOM 1073 C VAL A 62 -12.057 3.033 -6.445 1.00 0.00 C ATOM 1074 O VAL A 62 -11.923 4.230 -6.604 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.478 3.357 -3.972 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.914 2.642 -2.690 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.994 3.722 -3.854 1.00 0.00 C ATOM 0 H VAL A 62 -11.230 1.178 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.789 2.375 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.065 4.266 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.735 3.291 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.976 2.403 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.341 1.722 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.844 4.359 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.403 2.813 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.678 4.255 -4.751 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.648 2.177 -7.332 1.00 0.00 N ATOM 1088 CA GLY A 63 -10.994 2.645 -8.585 1.00 0.00 C ATOM 1089 C GLY A 63 -9.581 3.154 -8.286 1.00 0.00 C ATOM 1090 O GLY A 63 -9.039 3.955 -9.021 1.00 0.00 O ATOM 0 H GLY A 63 -11.738 1.165 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.949 1.830 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.586 3.440 -9.038 1.00 0.00 H new ATOM 1094 N ALA A 64 -8.971 2.698 -7.222 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.595 3.172 -6.909 1.00 0.00 C ATOM 1096 C ALA A 64 -6.605 2.571 -7.896 1.00 0.00 C ATOM 1097 O ALA A 64 -6.211 1.428 -7.786 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.295 2.692 -5.491 1.00 0.00 C ATOM 0 H ALA A 64 -9.364 2.025 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.513 4.256 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.293 3.011 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.024 3.118 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.354 1.604 -5.455 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.203 3.341 -8.859 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.238 2.834 -9.861 1.00 0.00 C ATOM 1106 C GLN A 65 -3.858 2.648 -9.194 1.00 0.00 C ATOM 1107 O GLN A 65 -3.243 3.610 -8.771 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.232 3.925 -10.949 1.00 0.00 C ATOM 1109 CG GLN A 65 -3.879 3.990 -11.659 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.092 4.361 -13.127 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.205 4.602 -13.551 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.064 4.419 -13.930 1.00 0.00 N ATOM 0 H GLN A 65 -6.503 4.306 -8.996 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.495 1.862 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.018 3.721 -11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.457 4.892 -10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.238 4.727 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.371 3.028 -11.586 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.129 4.217 -13.577 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.196 4.666 -14.911 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.418 1.413 -9.117 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.106 1.119 -8.502 1.00 0.00 C ATOM 1123 C PRO A 66 -0.987 1.350 -9.521 1.00 0.00 C ATOM 1124 O PRO A 66 -0.997 0.792 -10.600 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.204 -0.358 -8.138 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.216 -0.937 -9.080 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.088 0.191 -9.581 1.00 0.00 C ATOM 0 HA PRO A 66 -1.881 1.750 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.239 -0.853 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.514 -0.487 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.720 -1.434 -9.914 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.820 -1.690 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.173 0.174 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.099 0.118 -9.181 1.00 0.00 H new ATOM 1135 N THR A 67 -0.023 2.167 -9.192 1.00 0.00 N ATOM 1136 CA THR A 67 1.090 2.426 -10.153 1.00 0.00 C ATOM 1137 C THR A 67 1.686 1.102 -10.642 1.00 0.00 C ATOM 1138 O THR A 67 1.450 0.056 -10.071 1.00 0.00 O ATOM 1139 CB THR A 67 2.134 3.226 -9.365 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.003 2.954 -7.976 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.926 4.720 -9.617 1.00 0.00 C ATOM 0 H THR A 67 0.043 2.665 -8.304 1.00 0.00 H new ATOM 0 HA THR A 67 0.749 2.969 -11.035 1.00 0.00 H new ATOM 0 HB THR A 67 3.132 2.936 -9.693 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.890 2.802 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.668 5.290 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.036 4.928 -10.681 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.926 5.008 -9.292 1.00 0.00 H new ATOM 1149 N ASP A 68 2.452 1.139 -11.696 1.00 0.00 N ATOM 1150 CA ASP A 68 3.058 -0.119 -12.220 1.00 0.00 C ATOM 1151 C ASP A 68 3.931 -0.779 -11.150 1.00 0.00 C ATOM 1152 O ASP A 68 4.258 -1.945 -11.235 1.00 0.00 O ATOM 1153 CB ASP A 68 3.908 0.319 -13.414 1.00 0.00 C ATOM 1154 CG ASP A 68 4.056 -0.848 -14.392 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.240 -1.962 -13.931 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.986 -0.607 -15.586 1.00 0.00 O ATOM 0 H ASP A 68 2.685 1.984 -12.218 1.00 0.00 H new ATOM 0 HA ASP A 68 2.303 -0.852 -12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.442 1.169 -13.913 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.890 0.648 -13.074 1.00 0.00 H new ATOM 1161 N THR A 69 4.315 -0.041 -10.147 1.00 0.00 N ATOM 1162 CA THR A 69 5.169 -0.621 -9.074 1.00 0.00 C ATOM 1163 C THR A 69 4.312 -1.078 -7.894 1.00 0.00 C ATOM 1164 O THR A 69 4.436 -2.185 -7.417 1.00 0.00 O ATOM 1165 CB THR A 69 6.062 0.524 -8.634 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.384 1.340 -9.752 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.345 -0.017 -7.999 1.00 0.00 C ATOM 0 H THR A 69 4.073 0.942 -10.024 1.00 0.00 H new ATOM 0 HA THR A 69 5.729 -1.488 -9.424 1.00 0.00 H new ATOM 0 HB THR A 69 5.529 1.121 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.959 2.079 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.976 0.816 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.093 -0.625 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.881 -0.627 -8.726 1.00 0.00 H new ATOM 1175 N ALA A 70 3.446 -0.226 -7.418 1.00 0.00 N ATOM 1176 CA ALA A 70 2.590 -0.603 -6.267 1.00 0.00 C ATOM 1177 C ALA A 70 1.615 -1.678 -6.702 1.00 0.00 C ATOM 1178 O ALA A 70 1.202 -2.511 -5.922 1.00 0.00 O ATOM 1179 CB ALA A 70 1.848 0.674 -5.880 1.00 0.00 C ATOM 0 H ALA A 70 3.297 0.716 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 70 3.163 -0.998 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.193 0.472 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.569 1.445 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.252 1.019 -6.725 1.00 0.00 H new ATOM 1185 N ARG A 71 1.262 -1.687 -7.956 1.00 0.00 N ATOM 1186 CA ARG A 71 0.340 -2.727 -8.434 1.00 0.00 C ATOM 1187 C ARG A 71 1.066 -4.054 -8.344 1.00 0.00 C ATOM 1188 O ARG A 71 0.505 -5.067 -7.976 1.00 0.00 O ATOM 1189 CB ARG A 71 0.028 -2.373 -9.888 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.013 -3.349 -10.443 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.412 -2.918 -11.857 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.842 -3.961 -12.761 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.773 -3.762 -14.057 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.188 -2.639 -14.590 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.279 -4.693 -14.828 1.00 0.00 N ATOM 0 H ARG A 71 1.575 -1.019 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.581 -2.792 -7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.346 -1.351 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.938 -2.417 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.607 -4.360 -10.460 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.890 -3.369 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.496 -2.858 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.014 -1.931 -12.095 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.502 -4.838 -12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.572 -1.904 -13.996 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.127 -2.500 -15.599 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.051 -5.569 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.223 -4.544 -15.836 1.00 0.00 H new ATOM 1209 N ARG A 72 2.335 -4.044 -8.650 1.00 0.00 N ATOM 1210 CA ARG A 72 3.118 -5.290 -8.568 1.00 0.00 C ATOM 1211 C ARG A 72 3.239 -5.703 -7.094 1.00 0.00 C ATOM 1212 O ARG A 72 3.440 -6.856 -6.773 1.00 0.00 O ATOM 1213 CB ARG A 72 4.470 -4.926 -9.223 1.00 0.00 C ATOM 1214 CG ARG A 72 5.653 -5.538 -8.464 1.00 0.00 C ATOM 1215 CD ARG A 72 6.806 -5.799 -9.435 1.00 0.00 C ATOM 1216 NE ARG A 72 7.612 -4.544 -9.425 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.723 -4.453 -10.120 1.00 0.00 C ATOM 1218 NH1 ARG A 72 9.150 -5.460 -10.841 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.412 -3.344 -10.092 1.00 0.00 N ATOM 0 H ARG A 72 2.856 -3.221 -8.953 1.00 0.00 H new ATOM 0 HA ARG A 72 2.673 -6.146 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.480 -5.276 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.579 -3.842 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.977 -4.864 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.349 -6.469 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.403 -6.654 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.436 -6.022 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 72 7.297 -3.747 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.618 -6.330 -10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.015 -5.374 -11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.087 -2.555 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.276 -3.266 -10.629 1.00 0.00 H new ATOM 1233 N LEU A 73 3.115 -4.760 -6.202 1.00 0.00 N ATOM 1234 CA LEU A 73 3.216 -5.076 -4.764 1.00 0.00 C ATOM 1235 C LEU A 73 1.833 -5.394 -4.212 1.00 0.00 C ATOM 1236 O LEU A 73 1.693 -6.143 -3.265 1.00 0.00 O ATOM 1237 CB LEU A 73 3.800 -3.823 -4.110 1.00 0.00 C ATOM 1238 CG LEU A 73 5.107 -3.447 -4.810 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.462 -1.993 -4.493 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.229 -4.365 -4.331 1.00 0.00 C ATOM 0 H LEU A 73 2.947 -3.777 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 73 3.843 -5.946 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.089 -3.000 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.981 -4.003 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 73 4.983 -3.561 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.394 -1.729 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.664 -1.339 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.582 -1.874 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.159 -4.095 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.352 -4.257 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.978 -5.399 -4.566 1.00 0.00 H new ATOM 1252 N LEU A 74 0.802 -4.865 -4.817 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.557 -5.191 -4.332 1.00 0.00 C ATOM 1254 C LEU A 74 -0.818 -6.651 -4.679 1.00 0.00 C ATOM 1255 O LEU A 74 -1.510 -7.362 -3.978 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.513 -4.259 -5.083 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.464 -2.868 -4.457 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.439 -1.942 -5.187 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.858 -2.955 -2.980 1.00 0.00 C ATOM 0 H LEU A 74 0.847 -4.231 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.684 -5.058 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.234 -4.206 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.529 -4.652 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.452 -2.472 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.403 -0.949 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.160 -1.876 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.450 -2.341 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.822 -1.961 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.869 -3.354 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.164 -3.612 -2.456 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.220 -7.108 -5.749 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.379 -8.526 -6.145 1.00 0.00 C ATOM 1273 C ARG A 75 0.535 -9.368 -5.273 1.00 0.00 C ATOM 1274 O ARG A 75 0.256 -10.512 -4.977 1.00 0.00 O ATOM 1275 CB ARG A 75 0.057 -8.591 -7.608 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.995 -9.350 -8.416 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.314 -10.434 -9.256 1.00 0.00 C ATOM 1278 NE ARG A 75 0.291 -11.372 -8.266 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.455 -12.233 -7.613 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.749 -12.285 -7.806 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.101 -13.049 -6.760 1.00 0.00 N ATOM 0 H ARG A 75 0.373 -6.551 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.398 -8.895 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.182 -7.584 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.023 -9.089 -7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.727 -9.801 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.538 -8.661 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.033 -10.946 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.446 -10.006 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 75 1.296 -11.344 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.191 -11.651 -8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.315 -12.960 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.108 -13.015 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.472 -13.721 -6.249 1.00 0.00 H new ATOM 1295 N GLN A 76 1.620 -8.793 -4.839 1.00 0.00 N ATOM 1296 CA GLN A 76 2.541 -9.535 -3.971 1.00 0.00 C ATOM 1297 C GLN A 76 1.915 -9.657 -2.599 1.00 0.00 C ATOM 1298 O GLN A 76 2.049 -10.652 -1.913 1.00 0.00 O ATOM 1299 CB GLN A 76 3.805 -8.689 -3.953 1.00 0.00 C ATOM 1300 CG GLN A 76 4.987 -9.551 -3.521 1.00 0.00 C ATOM 1301 CD GLN A 76 5.438 -10.405 -4.705 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.589 -11.606 -4.584 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.659 -9.833 -5.856 1.00 0.00 N ATOM 0 H GLN A 76 1.900 -7.836 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 76 2.758 -10.548 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.989 -8.270 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.684 -7.849 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.807 -8.921 -3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.702 -10.188 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.532 -8.826 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.958 -10.393 -6.654 1.00 0.00 H new ATOM 1312 N ALA A 77 1.197 -8.655 -2.220 1.00 0.00 N ATOM 1313 CA ALA A 77 0.502 -8.688 -0.914 1.00 0.00 C ATOM 1314 C ALA A 77 -0.680 -9.668 -0.981 1.00 0.00 C ATOM 1315 O ALA A 77 -1.318 -9.953 0.015 1.00 0.00 O ATOM 1316 CB ALA A 77 0.000 -7.262 -0.697 1.00 0.00 C ATOM 0 H ALA A 77 1.058 -7.803 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 77 1.152 -9.017 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.529 -7.203 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.847 -6.576 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.677 -6.988 -1.506 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.981 -10.183 -2.149 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.123 -11.133 -2.280 1.00 0.00 C ATOM 1324 C GLY A 78 -3.427 -10.345 -2.425 1.00 0.00 C ATOM 1325 O GLY A 78 -4.388 -10.589 -1.724 1.00 0.00 O ATOM 0 H GLY A 78 -0.483 -9.984 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.977 -11.777 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.173 -11.782 -1.405 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.466 -9.393 -3.320 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.702 -8.584 -3.493 1.00 0.00 C ATOM 1331 C VAL A 79 -5.364 -8.854 -4.852 1.00 0.00 C ATOM 1332 O VAL A 79 -6.267 -8.149 -5.257 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.245 -7.133 -3.409 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.463 -6.209 -3.457 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.484 -6.900 -2.100 1.00 0.00 C ATOM 0 H VAL A 79 -2.694 -9.143 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.445 -8.831 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.587 -6.918 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.135 -5.171 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.002 -6.366 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.121 -6.431 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.161 -5.860 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.137 -7.120 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.612 -7.553 -2.065 1.00 0.00 H new