USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 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+ -120:sc= -0.0368 (180deg=-0.518) 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 -127:sc= 0.0494 USER MOD Single : A 61 SER OG : rot 92:sc= 0.335 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 69 THR OG1 : rot -32:sc= 0.158! USER MOD Single : A 76 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.862 7.845 -6.926 1.00 0.00 N ATOM 21 CA VAL A 2 -7.811 7.507 -5.925 1.00 0.00 C ATOM 22 C VAL A 2 -6.704 6.678 -6.584 1.00 0.00 C ATOM 23 O VAL A 2 -6.949 5.909 -7.490 1.00 0.00 O ATOM 24 CB VAL A 2 -8.531 6.685 -4.857 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.552 6.342 -3.733 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.697 7.496 -4.288 1.00 0.00 C ATOM 0 HA VAL A 2 -7.338 8.395 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.912 5.765 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.065 5.756 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.721 5.764 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.172 7.262 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.211 6.910 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.318 8.416 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.395 7.741 -5.089 1.00 0.00 H new ATOM 36 N LYS A 3 -5.488 6.829 -6.137 1.00 0.00 N ATOM 37 CA LYS A 3 -4.371 6.047 -6.741 1.00 0.00 C ATOM 38 C LYS A 3 -3.397 5.581 -5.654 1.00 0.00 C ATOM 39 O LYS A 3 -2.990 6.351 -4.808 1.00 0.00 O ATOM 40 CB LYS A 3 -3.680 7.021 -7.695 1.00 0.00 C ATOM 41 CG LYS A 3 -2.466 6.339 -8.330 1.00 0.00 C ATOM 42 CD LYS A 3 -2.719 6.138 -9.825 1.00 0.00 C ATOM 43 CE LYS A 3 -2.816 7.501 -10.513 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.414 7.999 -10.579 1.00 0.00 N ATOM 0 H LYS A 3 -5.219 7.459 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.725 5.152 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.376 7.343 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.367 7.915 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.574 6.947 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.282 5.378 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.912 5.553 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.640 5.576 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.250 7.411 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.451 8.184 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.340 8.898 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.776 7.299 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.145 8.149 -11.572 1.00 0.00 H new ATOM 58 N ILE A 4 -3.008 4.333 -5.672 1.00 0.00 N ATOM 59 CA ILE A 4 -2.052 3.846 -4.642 1.00 0.00 C ATOM 60 C ILE A 4 -0.640 3.796 -5.240 1.00 0.00 C ATOM 61 O ILE A 4 -0.443 3.346 -6.351 1.00 0.00 O ATOM 62 CB ILE A 4 -2.556 2.463 -4.232 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.823 2.625 -3.397 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.493 1.738 -3.400 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.507 1.269 -3.256 1.00 0.00 C ATOM 0 H ILE A 4 -3.310 3.636 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.996 4.499 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.766 1.877 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.576 3.025 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.497 3.338 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.864 0.754 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.583 1.626 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.275 2.318 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.413 1.379 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.766 0.888 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.831 0.570 -2.763 1.00 0.00 H new ATOM 77 N ARG A 5 0.342 4.274 -4.521 1.00 0.00 N ATOM 78 CA ARG A 5 1.726 4.273 -5.062 1.00 0.00 C ATOM 79 C ARG A 5 2.754 4.177 -3.933 1.00 0.00 C ATOM 80 O ARG A 5 2.415 3.989 -2.784 1.00 0.00 O ATOM 81 CB ARG A 5 1.860 5.608 -5.796 1.00 0.00 C ATOM 82 CG ARG A 5 1.585 6.758 -4.823 1.00 0.00 C ATOM 83 CD ARG A 5 1.650 8.091 -5.573 1.00 0.00 C ATOM 84 NE ARG A 5 3.094 8.469 -5.562 1.00 0.00 N ATOM 85 CZ ARG A 5 3.492 9.627 -6.035 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.635 10.483 -6.533 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.761 9.928 -6.012 1.00 0.00 N ATOM 0 H ARG A 5 0.242 4.664 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 5 1.907 3.420 -5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.861 5.705 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.159 5.648 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.603 6.634 -4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.317 6.747 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.276 7.990 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.039 8.850 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 5 3.781 7.818 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.641 10.254 -6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.961 11.379 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.435 9.266 -5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.079 10.826 -6.377 1.00 0.00 H new ATOM 101 N LEU A 6 4.014 4.313 -4.255 1.00 0.00 N ATOM 102 CA LEU A 6 5.071 4.233 -3.208 1.00 0.00 C ATOM 103 C LEU A 6 5.339 5.620 -2.613 1.00 0.00 C ATOM 104 O LEU A 6 5.613 6.569 -3.319 1.00 0.00 O ATOM 105 CB LEU A 6 6.311 3.723 -3.945 1.00 0.00 C ATOM 106 CG LEU A 6 6.222 2.206 -4.091 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.492 1.854 -5.390 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.631 1.610 -4.117 1.00 0.00 C ATOM 0 H LEU A 6 4.356 4.477 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 6 4.784 3.584 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.383 4.191 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.212 3.995 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 6 5.670 1.795 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.430 0.770 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.486 2.274 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.039 2.267 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.566 0.527 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.185 2.023 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.147 1.855 -3.189 1.00 0.00 H new ATOM 120 N ALA A 7 5.255 5.740 -1.316 1.00 0.00 N ATOM 121 CA ALA A 7 5.494 7.059 -0.660 1.00 0.00 C ATOM 122 C ALA A 7 6.907 7.122 -0.080 1.00 0.00 C ATOM 123 O ALA A 7 7.228 6.414 0.840 1.00 0.00 O ATOM 124 CB ALA A 7 4.466 7.095 0.462 1.00 0.00 C ATOM 0 H ALA A 7 5.030 4.977 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 7 5.403 7.896 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.559 8.032 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.464 7.019 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.638 6.259 1.140 1.00 0.00 H new ATOM 130 N ARG A 8 7.758 7.952 -0.615 1.00 0.00 N ATOM 131 CA ARG A 8 9.152 8.018 -0.091 1.00 0.00 C ATOM 132 C ARG A 8 9.275 8.882 1.170 1.00 0.00 C ATOM 133 O ARG A 8 8.964 10.057 1.171 1.00 0.00 O ATOM 134 CB ARG A 8 9.974 8.620 -1.231 1.00 0.00 C ATOM 135 CG ARG A 8 11.461 8.557 -0.875 1.00 0.00 C ATOM 136 CD ARG A 8 12.076 9.950 -1.014 1.00 0.00 C ATOM 137 NE ARG A 8 13.278 9.753 -1.875 1.00 0.00 N ATOM 138 CZ ARG A 8 13.159 9.609 -3.174 1.00 0.00 C ATOM 139 NH1 ARG A 8 11.982 9.631 -3.751 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.228 9.439 -3.902 1.00 0.00 N ATOM 0 H ARG A 8 7.551 8.584 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 8 9.496 7.028 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.787 8.075 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.674 9.653 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.587 8.192 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.974 7.854 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.374 10.649 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.349 10.360 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 8 14.204 9.730 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.141 9.762 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.907 9.518 -4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.147 9.419 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.144 9.326 -4.912 1.00 0.00 H new ATOM 276 N TYR A 17 9.423 2.924 1.166 1.00 0.00 N ATOM 277 CA TYR A 17 8.234 3.699 0.750 1.00 0.00 C ATOM 278 C TYR A 17 6.986 2.935 1.158 1.00 0.00 C ATOM 279 O TYR A 17 7.011 1.726 1.221 1.00 0.00 O ATOM 280 CB TYR A 17 8.262 3.748 -0.775 1.00 0.00 C ATOM 281 CG TYR A 17 9.569 4.267 -1.320 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.455 4.994 -0.520 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.878 4.026 -2.660 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.648 5.475 -1.057 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.070 4.505 -3.201 1.00 0.00 C ATOM 286 CZ TYR A 17 11.960 5.231 -2.401 1.00 0.00 C ATOM 287 OH TYR A 17 13.141 5.707 -2.934 1.00 0.00 O ATOM 0 HA TYR A 17 8.233 4.692 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.081 2.748 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.449 4.382 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.215 5.183 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.192 3.467 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.332 6.036 -0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.307 4.316 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 17 13.202 5.449 -3.877 1.00 0.00 H new ATOM 297 N ARG A 18 5.885 3.592 1.384 1.00 0.00 N ATOM 298 CA ARG A 18 4.665 2.816 1.713 1.00 0.00 C ATOM 299 C ARG A 18 3.804 2.737 0.471 1.00 0.00 C ATOM 300 O ARG A 18 3.932 3.533 -0.438 1.00 0.00 O ATOM 301 CB ARG A 18 3.910 3.554 2.818 1.00 0.00 C ATOM 302 CG ARG A 18 4.687 3.464 4.131 1.00 0.00 C ATOM 303 CD ARG A 18 3.765 2.934 5.232 1.00 0.00 C ATOM 304 NE ARG A 18 4.436 3.303 6.514 1.00 0.00 N ATOM 305 CZ ARG A 18 4.475 4.551 6.918 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.942 5.509 6.200 1.00 0.00 N ATOM 307 NH2 ARG A 18 5.054 4.841 8.051 1.00 0.00 N ATOM 0 H ARG A 18 5.779 4.606 1.356 1.00 0.00 H new ATOM 0 HA ARG A 18 4.918 1.811 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.770 4.598 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.917 3.122 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.547 2.805 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.073 4.446 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.773 3.380 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.635 1.855 5.152 1.00 0.00 H new ATOM 0 HE ARG A 18 4.870 2.576 7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.488 5.290 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.981 6.474 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.472 4.100 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.089 5.808 8.373 1.00 0.00 H new ATOM 321 N ILE A 19 2.895 1.829 0.448 1.00 0.00 N ATOM 322 CA ILE A 19 1.979 1.737 -0.701 1.00 0.00 C ATOM 323 C ILE A 19 0.740 2.447 -0.200 1.00 0.00 C ATOM 324 O ILE A 19 -0.180 1.853 0.324 1.00 0.00 O ATOM 325 CB ILE A 19 1.736 0.242 -0.980 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.866 -0.636 -0.428 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.702 0.010 -2.484 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.193 -0.149 -1.005 1.00 0.00 C ATOM 0 H ILE A 19 2.743 1.138 1.182 1.00 0.00 H new ATOM 0 HA ILE A 19 2.334 2.177 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 19 0.795 -0.023 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.886 -0.585 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.698 -1.679 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.530 -1.047 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.898 0.599 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.654 0.312 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.005 -0.765 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.166 -0.222 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.357 0.889 -0.715 1.00 0.00 H new ATOM 340 N VAL A 20 0.789 3.746 -0.257 1.00 0.00 N ATOM 341 CA VAL A 20 -0.288 4.570 0.323 1.00 0.00 C ATOM 342 C VAL A 20 -1.301 5.014 -0.736 1.00 0.00 C ATOM 343 O VAL A 20 -1.076 4.900 -1.922 1.00 0.00 O ATOM 344 CB VAL A 20 0.504 5.742 0.951 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.491 6.990 0.064 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.077 6.082 2.316 1.00 0.00 C ATOM 0 H VAL A 20 1.546 4.275 -0.690 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.909 4.047 1.050 1.00 0.00 H new ATOM 0 HB VAL A 20 1.540 5.419 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.059 7.785 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.942 6.756 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.537 7.319 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.483 6.908 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.122 6.371 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.009 5.211 2.968 1.00 0.00 H new ATOM 356 N VAL A 21 -2.433 5.476 -0.288 1.00 0.00 N ATOM 357 CA VAL A 21 -3.513 5.888 -1.222 1.00 0.00 C ATOM 358 C VAL A 21 -3.644 7.410 -1.255 1.00 0.00 C ATOM 359 O VAL A 21 -4.041 8.021 -0.288 1.00 0.00 O ATOM 360 CB VAL A 21 -4.810 5.263 -0.660 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.640 4.723 -1.812 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.520 4.110 0.309 1.00 0.00 C ATOM 0 H VAL A 21 -2.658 5.587 0.701 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.305 5.558 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.344 6.042 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.557 4.280 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.890 5.537 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.069 3.964 -2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.460 3.701 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.964 3.329 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.930 4.479 1.148 1.00 0.00 H new ATOM 372 N THR A 22 -3.323 8.031 -2.356 1.00 0.00 N ATOM 373 CA THR A 22 -3.449 9.517 -2.427 1.00 0.00 C ATOM 374 C THR A 22 -3.984 9.947 -3.794 1.00 0.00 C ATOM 375 O THR A 22 -4.401 9.135 -4.596 1.00 0.00 O ATOM 376 CB THR A 22 -2.035 10.065 -2.197 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.012 11.452 -2.499 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.033 9.334 -3.094 1.00 0.00 C ATOM 0 H THR A 22 -2.981 7.580 -3.204 1.00 0.00 H new ATOM 0 HA THR A 22 -4.150 9.898 -1.684 1.00 0.00 H new ATOM 0 HB THR A 22 -1.759 9.909 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.110 11.804 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.033 9.732 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.045 8.269 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.306 9.480 -4.139 1.00 0.00 H new ATOM 543 N TYR A 32 -2.276 11.702 1.303 1.00 0.00 N ATOM 544 CA TYR A 32 -2.984 10.419 1.007 1.00 0.00 C ATOM 545 C TYR A 32 -4.233 10.278 1.877 1.00 0.00 C ATOM 546 O TYR A 32 -4.535 11.120 2.700 1.00 0.00 O ATOM 547 CB TYR A 32 -1.993 9.289 1.325 1.00 0.00 C ATOM 548 CG TYR A 32 -1.326 9.538 2.659 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.028 9.306 3.847 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.008 10.004 2.702 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.409 9.541 5.081 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.612 10.240 3.933 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.088 10.009 5.124 1.00 0.00 C ATOM 554 OH TYR A 32 0.526 10.243 6.341 1.00 0.00 O ATOM 0 HA TYR A 32 -3.306 10.387 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.515 8.332 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.240 9.225 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.046 8.946 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.532 10.182 1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.949 9.362 5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.630 10.600 3.965 1.00 0.00 H new ATOM 0 HH TYR A 32 1.440 10.563 6.190 1.00 0.00 H new ATOM 564 N ILE A 33 -4.954 9.210 1.695 1.00 0.00 N ATOM 565 CA ILE A 33 -6.188 8.980 2.495 1.00 0.00 C ATOM 566 C ILE A 33 -5.834 8.158 3.737 1.00 0.00 C ATOM 567 O ILE A 33 -6.177 8.508 4.849 1.00 0.00 O ATOM 568 CB ILE A 33 -7.129 8.181 1.579 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.118 8.755 0.154 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.551 8.256 2.131 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.468 10.241 0.195 1.00 0.00 C ATOM 0 H ILE A 33 -4.739 8.478 1.018 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.650 9.910 2.827 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.787 7.147 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.136 8.615 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.834 8.220 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.222 7.691 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.574 7.834 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.873 9.297 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.459 10.645 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.460 10.369 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.735 10.771 0.803 1.00 0.00 H new ATOM 583 N GLU A 34 -5.138 7.069 3.547 1.00 0.00 N ATOM 584 CA GLU A 34 -4.741 6.213 4.699 1.00 0.00 C ATOM 585 C GLU A 34 -3.524 5.365 4.314 1.00 0.00 C ATOM 586 O GLU A 34 -3.034 5.440 3.204 1.00 0.00 O ATOM 587 CB GLU A 34 -5.953 5.323 4.976 1.00 0.00 C ATOM 588 CG GLU A 34 -6.883 6.022 5.968 1.00 0.00 C ATOM 589 CD GLU A 34 -7.891 5.014 6.525 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.459 4.043 7.124 1.00 0.00 O ATOM 591 OE2 GLU A 34 -9.078 5.231 6.343 1.00 0.00 O ATOM 0 H GLU A 34 -4.826 6.735 2.635 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.465 6.797 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.485 5.115 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.629 4.364 5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.302 6.458 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.407 6.841 5.476 1.00 0.00 H new ATOM 598 N LYS A 35 -3.029 4.563 5.215 1.00 0.00 N ATOM 599 CA LYS A 35 -1.842 3.720 4.886 1.00 0.00 C ATOM 600 C LYS A 35 -2.260 2.257 4.718 1.00 0.00 C ATOM 601 O LYS A 35 -2.566 1.577 5.677 1.00 0.00 O ATOM 602 CB LYS A 35 -0.904 3.879 6.083 1.00 0.00 C ATOM 603 CG LYS A 35 0.052 5.045 5.827 1.00 0.00 C ATOM 604 CD LYS A 35 -0.333 6.228 6.718 1.00 0.00 C ATOM 605 CE LYS A 35 -0.072 5.871 8.182 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.250 6.400 8.923 1.00 0.00 N ATOM 0 H LYS A 35 -3.392 4.454 6.162 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.367 4.020 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.481 4.060 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.340 2.960 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.078 4.740 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.012 5.338 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.244 7.110 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.385 6.477 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.026 4.793 8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.854 6.322 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.144 6.193 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.314 7.429 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.116 5.948 8.566 1.00 0.00 H new ATOM 620 N ILE A 36 -2.276 1.764 3.506 1.00 0.00 N ATOM 621 CA ILE A 36 -2.680 0.339 3.293 1.00 0.00 C ATOM 622 C ILE A 36 -1.462 -0.546 3.105 1.00 0.00 C ATOM 623 O ILE A 36 -1.426 -1.672 3.564 1.00 0.00 O ATOM 624 CB ILE A 36 -3.541 0.346 2.029 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.685 0.755 0.820 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.691 1.338 2.212 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.550 0.824 -0.434 1.00 0.00 C ATOM 0 H ILE A 36 -2.030 2.280 2.661 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.222 -0.058 4.152 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.945 -0.651 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.220 1.723 1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.878 0.036 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.309 1.348 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.297 1.038 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.287 2.335 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.934 1.115 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.994 -0.153 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.341 1.560 -0.290 1.00 0.00 H new ATOM 639 N GLY A 37 -0.477 -0.071 2.410 1.00 0.00 N ATOM 640 CA GLY A 37 0.709 -0.920 2.177 1.00 0.00 C ATOM 641 C GLY A 37 1.974 -0.316 2.776 1.00 0.00 C ATOM 642 O GLY A 37 2.045 0.851 3.106 1.00 0.00 O ATOM 0 H GLY A 37 -0.442 0.861 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.539 -1.906 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.848 -1.062 1.105 1.00 0.00 H new ATOM 646 N TYR A 38 2.989 -1.125 2.854 1.00 0.00 N ATOM 647 CA TYR A 38 4.315 -0.673 3.359 1.00 0.00 C ATOM 648 C TYR A 38 5.396 -1.342 2.499 1.00 0.00 C ATOM 649 O TYR A 38 5.384 -2.544 2.321 1.00 0.00 O ATOM 650 CB TYR A 38 4.390 -1.156 4.811 1.00 0.00 C ATOM 651 CG TYR A 38 5.791 -0.956 5.346 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.805 -1.859 5.006 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.074 0.130 6.183 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.101 -1.676 5.502 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.371 0.313 6.679 1.00 0.00 C ATOM 656 CZ TYR A 38 8.385 -0.592 6.338 1.00 0.00 C ATOM 657 OH TYR A 38 9.663 -0.412 6.827 1.00 0.00 O ATOM 0 H TYR A 38 2.955 -2.107 2.582 1.00 0.00 H new ATOM 0 HA TYR A 38 4.455 0.407 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.675 -0.607 5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.116 -2.209 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.587 -2.697 4.361 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.292 0.827 6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.883 -2.373 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.589 1.151 7.324 1.00 0.00 H new ATOM 0 HH TYR A 38 9.688 0.389 7.391 1.00 0.00 H new ATOM 667 N TYR A 39 6.329 -0.597 1.965 1.00 0.00 N ATOM 668 CA TYR A 39 7.383 -1.251 1.131 1.00 0.00 C ATOM 669 C TYR A 39 8.775 -0.826 1.620 1.00 0.00 C ATOM 670 O TYR A 39 8.991 0.312 1.993 1.00 0.00 O ATOM 671 CB TYR A 39 7.158 -0.787 -0.315 1.00 0.00 C ATOM 672 CG TYR A 39 8.318 -1.240 -1.175 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.461 -0.441 -1.284 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.254 -2.465 -1.849 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.540 -0.868 -2.068 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.334 -2.891 -2.634 1.00 0.00 C ATOM 677 CZ TYR A 39 10.476 -2.091 -2.742 1.00 0.00 C ATOM 678 OH TYR A 39 11.540 -2.509 -3.514 1.00 0.00 O ATOM 0 H TYR A 39 6.408 0.415 2.066 1.00 0.00 H new ATOM 0 HA TYR A 39 7.324 -2.337 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.224 -1.198 -0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.067 0.299 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.511 0.504 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.372 -3.082 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.423 -0.252 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.284 -3.836 -3.155 1.00 0.00 H new ATOM 0 HH TYR A 39 11.333 -3.380 -3.912 1.00 0.00 H new ATOM 688 N ASP A 40 9.722 -1.721 1.607 1.00 0.00 N ATOM 689 CA ASP A 40 11.099 -1.362 2.054 1.00 0.00 C ATOM 690 C ASP A 40 12.126 -2.040 1.137 1.00 0.00 C ATOM 691 O ASP A 40 12.352 -3.226 1.236 1.00 0.00 O ATOM 692 CB ASP A 40 11.203 -1.896 3.485 1.00 0.00 C ATOM 693 CG ASP A 40 12.592 -1.591 4.048 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.061 -0.484 3.844 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.159 -2.468 4.677 1.00 0.00 O ATOM 0 H ASP A 40 9.603 -2.688 1.306 1.00 0.00 H new ATOM 0 HA ASP A 40 11.292 -0.290 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.437 -1.438 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.023 -2.971 3.497 1.00 0.00 H new ATOM 838 N LEU A 49 7.949 -6.577 2.195 1.00 0.00 N ATOM 839 CA LEU A 49 6.613 -6.177 1.670 1.00 0.00 C ATOM 840 C LEU A 49 5.537 -6.435 2.725 1.00 0.00 C ATOM 841 O LEU A 49 5.173 -7.564 2.991 1.00 0.00 O ATOM 842 CB LEU A 49 6.391 -7.071 0.451 1.00 0.00 C ATOM 843 CG LEU A 49 5.124 -6.637 -0.288 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.323 -6.849 -1.787 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.940 -7.477 0.197 1.00 0.00 C ATOM 0 HA LEU A 49 6.564 -5.118 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.251 -7.011 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.302 -8.111 0.763 1.00 0.00 H new ATOM 0 HG LEU A 49 4.923 -5.584 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.424 -6.542 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.169 -6.254 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.518 -7.903 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.036 -7.169 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.135 -8.531 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.805 -7.330 1.269 1.00 0.00 H new ATOM 857 N LYS A 50 5.026 -5.401 3.326 1.00 0.00 N ATOM 858 CA LYS A 50 3.973 -5.586 4.362 1.00 0.00 C ATOM 859 C LYS A 50 2.723 -4.795 3.973 1.00 0.00 C ATOM 860 O LYS A 50 2.581 -3.639 4.317 1.00 0.00 O ATOM 861 CB LYS A 50 4.588 -5.026 5.647 1.00 0.00 C ATOM 862 CG LYS A 50 3.798 -5.524 6.858 1.00 0.00 C ATOM 863 CD LYS A 50 4.715 -5.572 8.083 1.00 0.00 C ATOM 864 CE LYS A 50 4.372 -4.415 9.026 1.00 0.00 C ATOM 865 NZ LYS A 50 5.662 -3.703 9.244 1.00 0.00 N ATOM 0 H LYS A 50 5.292 -4.433 3.145 1.00 0.00 H new ATOM 0 HA LYS A 50 3.671 -6.627 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.630 -5.336 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.581 -3.936 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.952 -4.864 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.390 -6.515 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.597 -6.524 8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.758 -5.505 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.626 -3.754 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.959 -4.781 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.509 -2.895 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.351 -4.355 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.028 -3.361 8.333 1.00 0.00 H new ATOM 879 N VAL A 51 1.818 -5.400 3.251 1.00 0.00 N ATOM 880 CA VAL A 51 0.593 -4.655 2.848 1.00 0.00 C ATOM 881 C VAL A 51 -0.657 -5.269 3.474 1.00 0.00 C ATOM 882 O VAL A 51 -0.909 -6.453 3.364 1.00 0.00 O ATOM 883 CB VAL A 51 0.546 -4.735 1.297 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.887 -4.970 0.782 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.034 -3.415 0.711 1.00 0.00 C ATOM 0 H VAL A 51 1.873 -6.366 2.927 1.00 0.00 H new ATOM 0 HA VAL A 51 0.622 -3.621 3.192 1.00 0.00 H new ATOM 0 HB VAL A 51 1.178 -5.569 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.879 -5.020 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.269 -5.908 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.528 -4.149 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.003 -3.466 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.391 -2.605 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.058 -3.229 1.036 1.00 0.00 H new ATOM 895 N ASP A 52 -1.474 -4.452 4.068 1.00 0.00 N ATOM 896 CA ASP A 52 -2.741 -4.964 4.623 1.00 0.00 C ATOM 897 C ASP A 52 -3.689 -5.135 3.440 1.00 0.00 C ATOM 898 O ASP A 52 -4.604 -4.356 3.259 1.00 0.00 O ATOM 899 CB ASP A 52 -3.233 -3.867 5.567 1.00 0.00 C ATOM 900 CG ASP A 52 -3.895 -4.500 6.792 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.484 -5.585 7.169 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.801 -3.889 7.335 1.00 0.00 O ATOM 0 H ASP A 52 -1.315 -3.452 4.191 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.657 -5.912 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.398 -3.239 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.943 -3.221 5.051 1.00 0.00 H new ATOM 907 N VAL A 53 -3.426 -6.119 2.602 1.00 0.00 N ATOM 908 CA VAL A 53 -4.262 -6.344 1.369 1.00 0.00 C ATOM 909 C VAL A 53 -5.742 -6.025 1.623 1.00 0.00 C ATOM 910 O VAL A 53 -6.439 -5.596 0.731 1.00 0.00 O ATOM 911 CB VAL A 53 -4.034 -7.823 0.927 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.747 -8.737 2.121 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.263 -8.363 0.180 1.00 0.00 C ATOM 0 H VAL A 53 -2.660 -6.782 2.721 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.961 -5.669 0.568 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.166 -7.822 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.594 -9.757 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.850 -8.392 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.592 -8.713 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.082 -9.396 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.134 -8.322 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.446 -7.755 -0.706 1.00 0.00 H new ATOM 923 N GLU A 54 -6.226 -6.199 2.821 1.00 0.00 N ATOM 924 CA GLU A 54 -7.649 -5.859 3.074 1.00 0.00 C ATOM 925 C GLU A 54 -7.868 -4.378 2.767 1.00 0.00 C ATOM 926 O GLU A 54 -8.749 -4.014 2.014 1.00 0.00 O ATOM 927 CB GLU A 54 -7.890 -6.165 4.553 1.00 0.00 C ATOM 928 CG GLU A 54 -7.791 -7.674 4.786 1.00 0.00 C ATOM 929 CD GLU A 54 -9.030 -8.157 5.541 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.204 -7.748 6.678 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.785 -8.929 4.972 1.00 0.00 O ATOM 0 H GLU A 54 -5.706 -6.556 3.623 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.339 -6.426 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.157 -5.643 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.873 -5.804 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.707 -8.195 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.891 -7.906 5.356 1.00 0.00 H new ATOM 938 N ARG A 55 -7.052 -3.523 3.317 1.00 0.00 N ATOM 939 CA ARG A 55 -7.196 -2.072 3.026 1.00 0.00 C ATOM 940 C ARG A 55 -6.653 -1.797 1.626 1.00 0.00 C ATOM 941 O ARG A 55 -7.205 -1.026 0.874 1.00 0.00 O ATOM 942 CB ARG A 55 -6.352 -1.348 4.074 1.00 0.00 C ATOM 943 CG ARG A 55 -6.883 -1.667 5.469 1.00 0.00 C ATOM 944 CD ARG A 55 -8.275 -1.054 5.642 1.00 0.00 C ATOM 945 NE ARG A 55 -8.068 0.419 5.517 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.075 1.252 5.627 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.291 0.813 5.850 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.865 2.534 5.514 1.00 0.00 N ATOM 0 H ARG A 55 -6.293 -3.767 3.954 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.233 -1.740 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.310 -1.656 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.382 -0.272 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.930 -2.746 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.205 -1.273 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.965 -1.421 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.702 -1.312 6.611 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.131 0.783 5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.463 -0.188 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.064 1.473 5.933 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.922 2.883 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.643 3.188 5.598 1.00 0.00 H new ATOM 962 N ALA A 56 -5.590 -2.451 1.258 1.00 0.00 N ATOM 963 CA ALA A 56 -5.044 -2.249 -0.100 1.00 0.00 C ATOM 964 C ALA A 56 -6.083 -2.759 -1.105 1.00 0.00 C ATOM 965 O ALA A 56 -6.080 -2.387 -2.263 1.00 0.00 O ATOM 966 CB ALA A 56 -3.741 -3.058 -0.128 1.00 0.00 C ATOM 0 H ALA A 56 -5.080 -3.115 1.841 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.838 -1.210 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.273 -2.959 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.063 -2.682 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.960 -4.108 0.065 1.00 0.00 H new ATOM 972 N ARG A 57 -7.000 -3.590 -0.654 1.00 0.00 N ATOM 973 CA ARG A 57 -8.058 -4.096 -1.558 1.00 0.00 C ATOM 974 C ARG A 57 -9.258 -3.137 -1.530 1.00 0.00 C ATOM 975 O ARG A 57 -10.027 -3.059 -2.465 1.00 0.00 O ATOM 976 CB ARG A 57 -8.443 -5.469 -1.000 1.00 0.00 C ATOM 977 CG ARG A 57 -9.614 -6.047 -1.802 1.00 0.00 C ATOM 978 CD ARG A 57 -10.340 -7.098 -0.959 1.00 0.00 C ATOM 979 NE ARG A 57 -11.227 -6.316 -0.048 1.00 0.00 N ATOM 980 CZ ARG A 57 -12.188 -6.906 0.626 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.393 -8.196 0.518 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.950 -6.198 1.412 1.00 0.00 N ATOM 0 H ARG A 57 -7.051 -3.933 0.305 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.726 -4.168 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.589 -6.144 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.719 -5.380 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.304 -5.251 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.250 -6.495 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.918 -7.777 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.634 -7.708 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.085 -5.311 0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.802 -8.757 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.143 -8.639 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.798 -5.193 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.698 -6.649 1.939 1.00 0.00 H new ATOM 996 N TYR A 58 -9.395 -2.388 -0.464 1.00 0.00 N ATOM 997 CA TYR A 58 -10.508 -1.404 -0.354 1.00 0.00 C ATOM 998 C TYR A 58 -10.314 -0.375 -1.447 1.00 0.00 C ATOM 999 O TYR A 58 -11.209 -0.016 -2.188 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.292 -0.770 1.032 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.878 0.631 1.119 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.071 0.939 0.457 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.220 1.620 1.869 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.610 2.227 0.544 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.760 2.908 1.953 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.955 3.211 1.293 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.489 4.480 1.378 1.00 0.00 O ATOM 0 H TYR A 58 -8.773 -2.420 0.344 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.507 -1.828 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.749 -1.401 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.225 -0.730 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.577 0.181 -0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.298 1.386 2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.532 2.462 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.253 3.669 2.528 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.810 5.139 1.123 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.123 0.098 -1.511 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.761 1.121 -2.504 1.00 0.00 C ATOM 1019 C TRP A 59 -8.867 0.546 -3.900 1.00 0.00 C ATOM 1020 O TRP A 59 -9.607 1.034 -4.729 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.343 1.490 -2.113 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.470 2.225 -0.831 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.009 1.836 0.379 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.180 3.458 -0.625 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.376 2.791 1.316 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.105 3.815 0.736 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.867 4.296 -1.504 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.703 4.981 1.212 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.473 5.466 -1.036 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.391 5.811 0.319 1.00 0.00 C ATOM 0 H TRP A 59 -8.359 -0.189 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.412 1.996 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.723 0.601 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.873 2.109 -2.877 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.450 0.935 0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.139 2.745 2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.931 4.040 -2.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.636 5.241 2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.007 6.107 -1.722 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.858 6.717 0.675 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.179 -0.520 -4.155 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.296 -1.154 -5.493 1.00 0.00 C ATOM 1043 C LEU A 60 -9.780 -1.439 -5.771 1.00 0.00 C ATOM 1044 O LEU A 60 -10.196 -1.574 -6.903 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.500 -2.455 -5.399 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.007 -2.151 -5.533 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.197 -3.398 -5.170 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.700 -1.746 -6.976 1.00 0.00 C ATOM 0 H LEU A 60 -7.544 -0.980 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.918 -0.525 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.698 -2.947 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.814 -3.143 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.739 -1.336 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.133 -3.181 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.417 -3.689 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.463 -4.213 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.636 -1.529 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.967 -2.562 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.277 -0.859 -7.235 1.00 0.00 H new ATOM 1060 N SER A 61 -10.582 -1.517 -4.732 1.00 0.00 N ATOM 1061 CA SER A 61 -12.031 -1.775 -4.927 1.00 0.00 C ATOM 1062 C SER A 61 -12.764 -0.472 -5.277 1.00 0.00 C ATOM 1063 O SER A 61 -13.845 -0.494 -5.832 1.00 0.00 O ATOM 1064 CB SER A 61 -12.529 -2.328 -3.593 1.00 0.00 C ATOM 1065 OG SER A 61 -12.507 -3.749 -3.636 1.00 0.00 O ATOM 0 H SER A 61 -10.287 -1.412 -3.761 1.00 0.00 H new ATOM 0 HA SER A 61 -12.213 -2.471 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.900 -1.968 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.541 -1.974 -3.394 1.00 0.00 H new ATOM 0 HG SER A 61 -11.650 -4.074 -3.290 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.190 0.666 -4.966 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.868 1.942 -5.296 1.00 0.00 C ATOM 1073 C VAL A 62 -12.281 2.507 -6.591 1.00 0.00 C ATOM 1074 O VAL A 62 -12.196 3.702 -6.787 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.609 2.893 -4.106 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.877 2.180 -2.776 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.159 3.398 -4.113 1.00 0.00 C ATOM 0 H VAL A 62 -11.287 0.758 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.939 1.811 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.287 3.740 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.689 2.867 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.915 1.849 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.218 1.316 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.002 4.065 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.478 2.550 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.966 3.937 -5.040 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.875 1.638 -7.469 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.285 2.090 -8.759 1.00 0.00 C ATOM 1089 C GLY A 63 -9.919 2.731 -8.503 1.00 0.00 C ATOM 1090 O GLY A 63 -9.467 3.569 -9.259 1.00 0.00 O ATOM 0 H GLY A 63 -11.926 0.626 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.179 1.244 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.949 2.806 -9.243 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.253 2.346 -7.446 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.919 2.937 -7.156 1.00 0.00 C ATOM 1096 C ALA A 64 -6.864 2.311 -8.069 1.00 0.00 C ATOM 1097 O ALA A 64 -6.589 1.131 -7.995 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.633 2.594 -5.694 1.00 0.00 C ATOM 0 H ALA A 64 -9.576 1.650 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.898 4.013 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.662 2.999 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.407 3.027 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.625 1.511 -5.569 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.274 3.090 -8.933 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.244 2.528 -9.851 1.00 0.00 C ATOM 1106 C GLN A 65 -3.850 2.612 -9.209 1.00 0.00 C ATOM 1107 O GLN A 65 -3.427 3.674 -8.794 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.314 3.406 -11.103 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.924 2.606 -12.256 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.163 3.331 -12.783 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -8.107 3.555 -12.052 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.201 3.709 -14.031 1.00 0.00 N ATOM 0 H GLN A 65 -6.459 4.087 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.422 1.477 -10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.915 4.293 -10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.316 3.751 -11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.193 2.486 -13.055 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.192 1.606 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.409 3.521 -14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.023 4.192 -14.393 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.173 1.488 -9.147 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.818 1.457 -8.560 1.00 0.00 C ATOM 1123 C PRO A 66 -0.787 1.829 -9.633 1.00 0.00 C ATOM 1124 O PRO A 66 -1.068 1.787 -10.814 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.655 0.003 -8.130 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.573 -0.788 -9.016 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.596 0.159 -9.602 1.00 0.00 C ATOM 0 HA PRO A 66 -1.678 2.155 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.622 -0.325 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.917 -0.126 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.008 -1.276 -9.810 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.066 -1.575 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.614 0.100 -10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.601 -0.078 -9.253 1.00 0.00 H new ATOM 1135 N THR A 67 0.401 2.191 -9.237 1.00 0.00 N ATOM 1136 CA THR A 67 1.439 2.561 -10.244 1.00 0.00 C ATOM 1137 C THR A 67 2.140 1.304 -10.766 1.00 0.00 C ATOM 1138 O THR A 67 1.744 0.194 -10.465 1.00 0.00 O ATOM 1139 CB THR A 67 2.427 3.446 -9.482 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.655 2.893 -8.194 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.850 4.856 -9.340 1.00 0.00 C ATOM 0 H THR A 67 0.699 2.247 -8.263 1.00 0.00 H new ATOM 0 HA THR A 67 1.014 3.071 -11.109 1.00 0.00 H new ATOM 0 HB THR A 67 3.368 3.497 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.289 3.457 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.555 5.485 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.674 5.279 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.909 4.810 -8.793 1.00 0.00 H new ATOM 1149 N ASP A 68 3.188 1.466 -11.531 1.00 0.00 N ATOM 1150 CA ASP A 68 3.922 0.275 -12.058 1.00 0.00 C ATOM 1151 C ASP A 68 4.924 -0.229 -11.012 1.00 0.00 C ATOM 1152 O ASP A 68 6.078 -0.474 -11.305 1.00 0.00 O ATOM 1153 CB ASP A 68 4.652 0.777 -13.304 1.00 0.00 C ATOM 1154 CG ASP A 68 4.209 -0.041 -14.518 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.012 -0.140 -14.735 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.072 -0.554 -15.210 1.00 0.00 O ATOM 0 H ASP A 68 3.568 2.370 -11.814 1.00 0.00 H new ATOM 0 HA ASP A 68 3.255 -0.556 -12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.435 1.833 -13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.730 0.690 -13.167 1.00 0.00 H new ATOM 1161 N THR A 69 4.479 -0.381 -9.795 1.00 0.00 N ATOM 1162 CA THR A 69 5.362 -0.860 -8.696 1.00 0.00 C ATOM 1163 C THR A 69 4.481 -1.257 -7.519 1.00 0.00 C ATOM 1164 O THR A 69 4.499 -2.380 -7.056 1.00 0.00 O ATOM 1165 CB THR A 69 6.208 0.341 -8.317 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.807 0.898 -9.477 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.296 -0.076 -7.324 1.00 0.00 C ATOM 0 H THR A 69 3.518 -0.189 -9.511 1.00 0.00 H new ATOM 0 HA THR A 69 5.977 -1.714 -8.981 1.00 0.00 H new ATOM 0 HB THR A 69 5.567 1.089 -7.851 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.996 0.185 -10.122 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.898 0.793 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.832 -0.485 -6.426 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.934 -0.833 -7.780 1.00 0.00 H new ATOM 1175 N ALA A 70 3.678 -0.334 -7.057 1.00 0.00 N ATOM 1176 CA ALA A 70 2.758 -0.636 -5.941 1.00 0.00 C ATOM 1177 C ALA A 70 1.710 -1.612 -6.453 1.00 0.00 C ATOM 1178 O ALA A 70 1.153 -2.395 -5.709 1.00 0.00 O ATOM 1179 CB ALA A 70 2.119 0.705 -5.568 1.00 0.00 C ATOM 0 H ALA A 70 3.626 0.620 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 70 3.250 -1.082 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.421 0.559 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.896 1.407 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.584 1.105 -6.429 1.00 0.00 H new ATOM 1185 N ARG A 71 1.465 -1.595 -7.738 1.00 0.00 N ATOM 1186 CA ARG A 71 0.494 -2.540 -8.306 1.00 0.00 C ATOM 1187 C ARG A 71 1.081 -3.929 -8.152 1.00 0.00 C ATOM 1188 O ARG A 71 0.411 -4.869 -7.772 1.00 0.00 O ATOM 1189 CB ARG A 71 0.376 -2.162 -9.785 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.503 -3.182 -10.513 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.703 -2.735 -11.965 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.121 -3.831 -12.795 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.044 -3.718 -14.101 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.490 -2.648 -14.712 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.482 -4.685 -14.801 1.00 0.00 N ATOM 0 H ARG A 71 1.902 -0.962 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.484 -2.514 -7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.053 -1.164 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.365 -2.129 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.037 -4.167 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.467 -3.271 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.759 -2.589 -12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.202 -1.786 -12.158 1.00 0.00 H new ATOM 0 HE ARG A 71 0.221 -4.678 -12.342 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.904 -1.888 -14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.423 -2.575 -15.727 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.830 -5.522 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.545 -4.604 -15.816 1.00 0.00 H new ATOM 1209 N ARG A 72 2.353 -4.055 -8.419 1.00 0.00 N ATOM 1210 CA ARG A 72 2.996 -5.376 -8.267 1.00 0.00 C ATOM 1211 C ARG A 72 2.992 -5.757 -6.791 1.00 0.00 C ATOM 1212 O ARG A 72 2.639 -6.860 -6.424 1.00 0.00 O ATOM 1213 CB ARG A 72 4.420 -5.210 -8.793 1.00 0.00 C ATOM 1214 CG ARG A 72 4.598 -6.073 -10.044 1.00 0.00 C ATOM 1215 CD ARG A 72 6.039 -6.583 -10.118 1.00 0.00 C ATOM 1216 NE ARG A 72 6.791 -5.508 -10.825 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.678 -5.351 -12.123 1.00 0.00 C ATOM 1218 NH1 ARG A 72 5.906 -6.135 -12.833 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.345 -4.399 -12.715 1.00 0.00 N ATOM 0 H ARG A 72 2.965 -3.302 -8.733 1.00 0.00 H new ATOM 0 HA ARG A 72 2.478 -6.165 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.614 -4.163 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.139 -5.504 -8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.905 -6.914 -10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.362 -5.492 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.447 -6.761 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.097 -7.527 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 72 7.401 -4.887 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.381 -6.882 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.830 -5.999 -13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.949 -3.784 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.263 -4.270 -13.723 1.00 0.00 H new ATOM 1233 N LEU A 73 3.356 -4.841 -5.937 1.00 0.00 N ATOM 1234 CA LEU A 73 3.340 -5.140 -4.489 1.00 0.00 C ATOM 1235 C LEU A 73 1.917 -5.494 -4.085 1.00 0.00 C ATOM 1236 O LEU A 73 1.693 -6.320 -3.228 1.00 0.00 O ATOM 1237 CB LEU A 73 3.809 -3.859 -3.801 1.00 0.00 C ATOM 1238 CG LEU A 73 5.235 -3.542 -4.247 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.586 -2.101 -3.872 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.202 -4.496 -3.551 1.00 0.00 C ATOM 0 H LEU A 73 3.663 -3.900 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 73 3.981 -5.978 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.144 -3.033 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.772 -3.979 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 73 5.312 -3.661 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.604 -1.879 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.894 -1.418 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.510 -1.977 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.222 -4.274 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.121 -4.373 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.955 -5.523 -3.818 1.00 0.00 H new ATOM 1252 N LEU A 74 0.948 -4.908 -4.734 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.452 -5.263 -4.420 1.00 0.00 C ATOM 1254 C LEU A 74 -0.676 -6.692 -4.910 1.00 0.00 C ATOM 1255 O LEU A 74 -1.485 -7.433 -4.386 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.307 -4.262 -5.196 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.403 -2.959 -4.400 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.172 -1.914 -5.213 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.138 -3.220 -3.084 1.00 0.00 C ATOM 0 H LEU A 74 1.070 -4.204 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.698 -5.222 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.867 -4.072 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.302 -4.672 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.399 -2.588 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.239 -0.987 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.650 -1.727 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.176 -2.283 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.207 -2.292 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.141 -3.592 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.591 -3.962 -2.502 1.00 0.00 H new ATOM 1271 N ARG A 75 0.079 -7.084 -5.904 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.017 -8.459 -6.439 1.00 0.00 C ATOM 1273 C ARG A 75 0.812 -9.383 -5.566 1.00 0.00 C ATOM 1274 O ARG A 75 0.538 -10.560 -5.438 1.00 0.00 O ATOM 1275 CB ARG A 75 0.594 -8.373 -7.839 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.468 -8.679 -8.888 1.00 0.00 C ATOM 1277 CD ARG A 75 0.205 -9.216 -10.153 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.650 -10.356 -10.589 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.700 -11.465 -9.888 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.000 -11.599 -8.788 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.458 -12.447 -10.293 1.00 0.00 N ATOM 0 H ARG A 75 0.767 -6.493 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.038 -8.840 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.005 -7.377 -8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.420 -9.078 -7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.176 -9.412 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.036 -7.778 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.264 -8.449 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.225 -9.542 -9.950 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.203 -10.274 -11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.594 -10.835 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.050 -12.467 -8.254 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.006 -12.349 -11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.503 -13.312 -9.755 1.00 0.00 H new ATOM 1295 N GLN A 76 1.836 -8.851 -4.967 1.00 0.00 N ATOM 1296 CA GLN A 76 2.701 -9.674 -4.109 1.00 0.00 C ATOM 1297 C GLN A 76 2.082 -9.819 -2.733 1.00 0.00 C ATOM 1298 O GLN A 76 2.151 -10.856 -2.104 1.00 0.00 O ATOM 1299 CB GLN A 76 4.007 -8.900 -4.059 1.00 0.00 C ATOM 1300 CG GLN A 76 5.157 -9.844 -3.719 1.00 0.00 C ATOM 1301 CD GLN A 76 5.509 -10.675 -4.953 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.625 -11.882 -4.874 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.683 -10.076 -6.099 1.00 0.00 N ATOM 0 H GLN A 76 2.107 -7.870 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 76 2.844 -10.689 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.192 -8.419 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.942 -8.108 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.026 -9.274 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.874 -10.498 -2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.586 -9.063 -6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.916 -10.621 -6.929 1.00 0.00 H new ATOM 1312 N ALA A 77 1.453 -8.789 -2.278 1.00 0.00 N ATOM 1313 CA ALA A 77 0.790 -8.848 -0.954 1.00 0.00 C ATOM 1314 C ALA A 77 -0.405 -9.813 -1.014 1.00 0.00 C ATOM 1315 O ALA A 77 -0.996 -10.144 -0.005 1.00 0.00 O ATOM 1316 CB ALA A 77 0.320 -7.419 -0.681 1.00 0.00 C ATOM 0 H ALA A 77 1.366 -7.898 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 77 1.454 -9.209 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.183 -7.380 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.180 -6.749 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.372 -7.108 -1.463 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.765 -10.265 -2.192 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.915 -11.206 -2.319 1.00 0.00 C ATOM 1324 C GLY A 78 -3.223 -10.416 -2.330 1.00 0.00 C ATOM 1325 O GLY A 78 -4.150 -10.729 -1.612 1.00 0.00 O ATOM 0 H GLY A 78 -0.309 -10.020 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.822 -11.788 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.912 -11.914 -1.490 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.306 -9.385 -3.130 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.550 -8.572 -3.168 1.00 0.00 C ATOM 1331 C VAL A 79 -5.483 -9.021 -4.297 1.00 0.00 C ATOM 1332 O VAL A 79 -6.564 -9.523 -4.057 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.086 -7.142 -3.407 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.288 -6.197 -3.352 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.073 -6.741 -2.333 1.00 0.00 C ATOM 0 H VAL A 79 -2.564 -9.074 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.117 -8.678 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.616 -7.077 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.954 -5.174 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.007 -6.478 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.760 -6.265 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.744 -5.717 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.539 -6.809 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.214 -7.411 -2.375 1.00 0.00 H new