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= -0.775 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= -0.0688 K(o=-0.069,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot 42:sc= -0.163 USER MOD Single : A 69 THR OG1 : rot -38:sc= 0.126! USER MOD Single : A 76 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.623 8.125 -7.261 1.00 0.00 N ATOM 21 CA VAL A 2 -7.733 7.613 -6.179 1.00 0.00 C ATOM 22 C VAL A 2 -6.684 6.667 -6.767 1.00 0.00 C ATOM 23 O VAL A 2 -6.990 5.809 -7.568 1.00 0.00 O ATOM 24 CB VAL A 2 -8.658 6.859 -5.223 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.863 6.404 -3.999 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.795 7.783 -4.775 1.00 0.00 C ATOM 0 HA VAL A 2 -7.195 8.415 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.075 5.990 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.521 5.866 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.053 5.747 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.447 7.274 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.454 7.245 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.378 8.652 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.363 8.110 -5.646 1.00 0.00 H new ATOM 36 N LYS A 3 -5.448 6.819 -6.380 1.00 0.00 N ATOM 37 CA LYS A 3 -4.384 5.926 -6.922 1.00 0.00 C ATOM 38 C LYS A 3 -3.394 5.549 -5.818 1.00 0.00 C ATOM 39 O LYS A 3 -2.971 6.384 -5.042 1.00 0.00 O ATOM 40 CB LYS A 3 -3.688 6.752 -8.004 1.00 0.00 C ATOM 41 CG LYS A 3 -4.361 6.498 -9.354 1.00 0.00 C ATOM 42 CD LYS A 3 -4.773 7.833 -9.975 1.00 0.00 C ATOM 43 CE LYS A 3 -6.094 7.661 -10.726 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.782 8.023 -12.136 1.00 0.00 N ATOM 0 H LYS A 3 -5.128 7.521 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.790 4.994 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.738 7.812 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.632 6.486 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.678 5.970 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.235 5.860 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.880 8.590 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.998 8.184 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.460 6.637 -10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.870 8.307 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.640 7.930 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.442 9.005 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.045 7.387 -12.503 1.00 0.00 H new ATOM 58 N ILE A 4 -3.007 4.304 -5.748 1.00 0.00 N ATOM 59 CA ILE A 4 -2.035 3.893 -4.702 1.00 0.00 C ATOM 60 C ILE A 4 -0.635 3.803 -5.319 1.00 0.00 C ATOM 61 O ILE A 4 -0.465 3.333 -6.425 1.00 0.00 O ATOM 62 CB ILE A 4 -2.524 2.536 -4.194 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.811 2.736 -3.395 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.463 1.898 -3.293 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.550 1.405 -3.286 1.00 0.00 C ATOM 0 H ILE A 4 -3.322 3.558 -6.369 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.971 4.605 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.710 1.880 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.580 3.119 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.444 3.477 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.821 0.932 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.542 1.757 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.269 2.550 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.469 1.545 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.794 1.041 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.916 0.677 -2.779 1.00 0.00 H new ATOM 77 N ARG A 5 0.367 4.266 -4.625 1.00 0.00 N ATOM 78 CA ARG A 5 1.740 4.217 -5.190 1.00 0.00 C ATOM 79 C ARG A 5 2.780 4.098 -4.076 1.00 0.00 C ATOM 80 O ARG A 5 2.453 3.887 -2.926 1.00 0.00 O ATOM 81 CB ARG A 5 1.913 5.538 -5.946 1.00 0.00 C ATOM 82 CG ARG A 5 1.596 6.711 -5.015 1.00 0.00 C ATOM 83 CD ARG A 5 2.339 7.961 -5.494 1.00 0.00 C ATOM 84 NE ARG A 5 1.270 8.973 -5.731 1.00 0.00 N ATOM 85 CZ ARG A 5 1.562 10.249 -5.826 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.799 10.668 -5.702 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.609 11.113 -6.045 1.00 0.00 N ATOM 0 H ARG A 5 0.293 4.675 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 5 1.878 3.353 -5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.933 5.623 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.253 5.561 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.522 6.897 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.891 6.469 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.053 8.307 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.903 7.761 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 5 0.300 8.670 -5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.549 9.999 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.011 11.663 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.355 10.795 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.828 12.106 -6.120 1.00 0.00 H new ATOM 101 N LEU A 6 4.034 4.228 -4.412 1.00 0.00 N ATOM 102 CA LEU A 6 5.101 4.115 -3.383 1.00 0.00 C ATOM 103 C LEU A 6 5.402 5.475 -2.755 1.00 0.00 C ATOM 104 O LEU A 6 5.662 6.446 -3.437 1.00 0.00 O ATOM 105 CB LEU A 6 6.327 3.618 -4.147 1.00 0.00 C ATOM 106 CG LEU A 6 6.194 2.122 -4.406 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.314 1.887 -5.635 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.581 1.524 -4.651 1.00 0.00 C ATOM 0 H LEU A 6 4.365 4.408 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 6 4.808 3.449 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.422 4.154 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.232 3.819 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 6 5.737 1.645 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.221 0.816 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.326 2.312 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.767 2.365 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.488 0.454 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.036 2.004 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.208 1.687 -3.774 1.00 0.00 H new ATOM 120 N ALA A 7 5.395 5.540 -1.454 1.00 0.00 N ATOM 121 CA ALA A 7 5.708 6.822 -0.764 1.00 0.00 C ATOM 122 C ALA A 7 7.160 6.772 -0.302 1.00 0.00 C ATOM 123 O ALA A 7 7.716 5.711 -0.162 1.00 0.00 O ATOM 124 CB ALA A 7 4.756 6.869 0.428 1.00 0.00 C ATOM 0 H ALA A 7 5.185 4.757 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 7 5.587 7.701 -1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.923 7.787 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.726 6.844 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.938 6.009 1.073 1.00 0.00 H new ATOM 130 N ARG A 8 7.793 7.894 -0.086 1.00 0.00 N ATOM 131 CA ARG A 8 9.219 7.855 0.338 1.00 0.00 C ATOM 132 C ARG A 8 9.451 8.655 1.621 1.00 0.00 C ATOM 133 O ARG A 8 9.410 9.870 1.627 1.00 0.00 O ATOM 134 CB ARG A 8 9.985 8.479 -0.829 1.00 0.00 C ATOM 135 CG ARG A 8 11.471 8.576 -0.478 1.00 0.00 C ATOM 136 CD ARG A 8 12.299 8.535 -1.763 1.00 0.00 C ATOM 137 NE ARG A 8 12.776 9.935 -1.959 1.00 0.00 N ATOM 138 CZ ARG A 8 13.776 10.410 -1.255 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.373 9.674 -0.350 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.181 11.635 -1.456 1.00 0.00 N ATOM 0 H ARG A 8 7.388 8.825 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 8 9.543 6.838 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.852 7.876 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.588 9.470 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.668 9.500 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.756 7.753 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.135 7.842 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.699 8.200 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 8 12.319 10.531 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.062 8.717 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.149 10.058 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.720 12.216 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.958 12.011 -0.912 1.00 0.00 H new ATOM 276 N TYR A 17 9.619 2.862 1.871 1.00 0.00 N ATOM 277 CA TYR A 17 8.444 3.516 1.256 1.00 0.00 C ATOM 278 C TYR A 17 7.176 2.842 1.736 1.00 0.00 C ATOM 279 O TYR A 17 7.214 1.848 2.431 1.00 0.00 O ATOM 280 CB TYR A 17 8.547 3.216 -0.231 1.00 0.00 C ATOM 281 CG TYR A 17 9.802 3.763 -0.863 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.584 4.725 -0.216 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.169 3.294 -2.126 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.735 5.214 -0.838 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.316 3.780 -2.750 1.00 0.00 C ATOM 286 CZ TYR A 17 12.103 4.743 -2.107 1.00 0.00 C ATOM 287 OH TYR A 17 13.241 5.227 -2.722 1.00 0.00 O ATOM 0 HA TYR A 17 8.420 4.579 1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.514 2.137 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.679 3.635 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.299 5.088 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.561 2.551 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.343 5.956 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.597 3.415 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 17 13.350 4.795 -3.595 1.00 0.00 H new ATOM 297 N ARG A 18 6.052 3.332 1.311 1.00 0.00 N ATOM 298 CA ARG A 18 4.786 2.666 1.673 1.00 0.00 C ATOM 299 C ARG A 18 3.905 2.625 0.437 1.00 0.00 C ATOM 300 O ARG A 18 4.036 3.441 -0.454 1.00 0.00 O ATOM 301 CB ARG A 18 4.145 3.509 2.769 1.00 0.00 C ATOM 302 CG ARG A 18 4.786 3.176 4.118 1.00 0.00 C ATOM 303 CD ARG A 18 4.165 4.053 5.210 1.00 0.00 C ATOM 304 NE ARG A 18 5.276 4.317 6.170 1.00 0.00 N ATOM 305 CZ ARG A 18 5.173 5.265 7.073 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.097 6.007 7.152 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.159 5.471 7.903 1.00 0.00 N ATOM 0 H ARG A 18 5.958 4.164 0.729 1.00 0.00 H new ATOM 0 HA ARG A 18 4.935 1.646 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.272 4.569 2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.073 3.318 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.636 2.122 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.862 3.342 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.773 4.981 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.333 3.546 5.699 1.00 0.00 H new ATOM 0 HE ARG A 18 6.126 3.755 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.323 5.853 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.033 6.739 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.001 4.898 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.088 6.205 8.608 1.00 0.00 H new ATOM 321 N ILE A 19 2.984 1.720 0.388 1.00 0.00 N ATOM 322 CA ILE A 19 2.074 1.672 -0.765 1.00 0.00 C ATOM 323 C ILE A 19 0.848 2.399 -0.258 1.00 0.00 C ATOM 324 O ILE A 19 -0.067 1.827 0.298 1.00 0.00 O ATOM 325 CB ILE A 19 1.792 0.191 -1.093 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.789 -0.772 -0.426 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.927 -0.014 -2.597 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.204 -0.413 -0.863 1.00 0.00 C ATOM 0 H ILE A 19 2.824 1.009 1.102 1.00 0.00 H new ATOM 0 HA ILE A 19 2.452 2.124 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 19 0.790 -0.026 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.704 -0.708 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.560 -1.801 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.730 -1.058 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.210 0.622 -3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.938 0.247 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.914 -1.093 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.283 -0.499 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.429 0.610 -0.563 1.00 0.00 H new ATOM 340 N VAL A 20 0.911 3.694 -0.349 1.00 0.00 N ATOM 341 CA VAL A 20 -0.140 4.552 0.224 1.00 0.00 C ATOM 342 C VAL A 20 -1.157 4.987 -0.841 1.00 0.00 C ATOM 343 O VAL A 20 -0.952 4.815 -2.025 1.00 0.00 O ATOM 344 CB VAL A 20 0.698 5.714 0.817 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.612 6.989 -0.027 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.236 6.008 2.240 1.00 0.00 C ATOM 0 H VAL A 20 1.668 4.200 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.772 4.072 0.971 1.00 0.00 H new ATOM 0 HB VAL A 20 1.740 5.394 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.217 7.771 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.984 6.786 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.425 7.319 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.827 6.825 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.817 6.291 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.366 5.118 2.856 1.00 0.00 H new ATOM 356 N VAL A 21 -2.274 5.502 -0.406 1.00 0.00 N ATOM 357 CA VAL A 21 -3.346 5.899 -1.358 1.00 0.00 C ATOM 358 C VAL A 21 -3.466 7.420 -1.433 1.00 0.00 C ATOM 359 O VAL A 21 -4.005 8.050 -0.549 1.00 0.00 O ATOM 360 CB VAL A 21 -4.654 5.298 -0.795 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.465 4.703 -1.939 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.381 4.189 0.225 1.00 0.00 C ATOM 0 H VAL A 21 -2.490 5.666 0.577 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.131 5.541 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.198 6.101 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.389 4.278 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.703 5.484 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.884 3.921 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.327 3.794 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.815 3.388 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.806 4.594 1.058 1.00 0.00 H new ATOM 372 N THR A 22 -2.985 8.015 -2.487 1.00 0.00 N ATOM 373 CA THR A 22 -3.093 9.497 -2.620 1.00 0.00 C ATOM 374 C THR A 22 -3.644 9.851 -4.005 1.00 0.00 C ATOM 375 O THR A 22 -4.167 9.007 -4.706 1.00 0.00 O ATOM 376 CB THR A 22 -1.667 10.037 -2.444 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.641 11.418 -2.780 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.696 9.274 -3.348 1.00 0.00 C ATOM 0 H THR A 22 -2.522 7.542 -3.263 1.00 0.00 H new ATOM 0 HA THR A 22 -3.769 9.929 -1.882 1.00 0.00 H new ATOM 0 HB THR A 22 -1.362 9.903 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.732 11.765 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.312 9.667 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.711 8.216 -3.087 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.996 9.395 -4.389 1.00 0.00 H new ATOM 543 N TYR A 32 -1.594 11.533 1.188 1.00 0.00 N ATOM 544 CA TYR A 32 -2.467 10.381 0.807 1.00 0.00 C ATOM 545 C TYR A 32 -3.695 10.318 1.714 1.00 0.00 C ATOM 546 O TYR A 32 -3.738 10.919 2.770 1.00 0.00 O ATOM 547 CB TYR A 32 -1.616 9.116 0.982 1.00 0.00 C ATOM 548 CG TYR A 32 -0.982 9.099 2.353 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.767 8.858 3.486 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.394 9.324 2.491 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.177 8.841 4.755 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.984 9.307 3.760 1.00 0.00 C ATOM 553 CZ TYR A 32 0.198 9.065 4.892 1.00 0.00 C ATOM 554 OH TYR A 32 0.778 9.048 6.144 1.00 0.00 O ATOM 0 HA TYR A 32 -2.824 10.482 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.237 8.230 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.842 9.080 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.828 8.685 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.000 9.511 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.783 8.655 5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.045 9.480 3.865 1.00 0.00 H new ATOM 0 HH TYR A 32 1.739 9.220 6.062 1.00 0.00 H new ATOM 564 N ILE A 33 -4.691 9.590 1.302 1.00 0.00 N ATOM 565 CA ILE A 33 -5.928 9.470 2.119 1.00 0.00 C ATOM 566 C ILE A 33 -5.693 8.531 3.306 1.00 0.00 C ATOM 567 O ILE A 33 -6.167 8.767 4.399 1.00 0.00 O ATOM 568 CB ILE A 33 -6.957 8.874 1.160 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.184 9.836 -0.009 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.275 8.650 1.897 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.149 9.059 -1.326 1.00 0.00 C ATOM 0 H ILE A 33 -4.702 9.068 0.426 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.250 10.425 2.535 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.588 7.921 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.144 10.340 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.416 10.610 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.008 8.225 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.115 7.963 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.645 9.602 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.311 9.745 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.178 8.576 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.933 8.302 -1.323 1.00 0.00 H new ATOM 583 N GLU A 34 -4.969 7.465 3.096 1.00 0.00 N ATOM 584 CA GLU A 34 -4.711 6.509 4.210 1.00 0.00 C ATOM 585 C GLU A 34 -3.493 5.633 3.890 1.00 0.00 C ATOM 586 O GLU A 34 -2.988 5.638 2.785 1.00 0.00 O ATOM 587 CB GLU A 34 -5.978 5.659 4.294 1.00 0.00 C ATOM 588 CG GLU A 34 -6.404 5.517 5.757 1.00 0.00 C ATOM 589 CD GLU A 34 -6.120 4.092 6.233 1.00 0.00 C ATOM 590 OE1 GLU A 34 -4.989 3.655 6.093 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.039 3.461 6.731 1.00 0.00 O ATOM 0 H GLU A 34 -4.546 7.215 2.202 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.494 7.016 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.777 6.121 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.798 4.676 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.863 6.233 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.465 5.742 5.862 1.00 0.00 H new ATOM 598 N LYS A 35 -3.023 4.881 4.848 1.00 0.00 N ATOM 599 CA LYS A 35 -1.842 4.003 4.598 1.00 0.00 C ATOM 600 C LYS A 35 -2.283 2.539 4.527 1.00 0.00 C ATOM 601 O LYS A 35 -2.717 1.964 5.507 1.00 0.00 O ATOM 602 CB LYS A 35 -0.919 4.225 5.797 1.00 0.00 C ATOM 603 CG LYS A 35 -0.337 5.638 5.741 1.00 0.00 C ATOM 604 CD LYS A 35 -0.146 6.166 7.163 1.00 0.00 C ATOM 605 CE LYS A 35 -1.505 6.555 7.751 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.184 7.258 9.024 1.00 0.00 N ATOM 0 H LYS A 35 -3.405 4.836 5.793 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.347 4.235 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.472 4.085 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.115 3.489 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.617 5.630 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.004 6.296 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.326 5.405 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.519 7.029 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.059 7.202 7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.124 5.676 7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.066 7.557 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.662 6.615 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.599 8.094 8.821 1.00 0.00 H new ATOM 620 N ILE A 36 -2.186 1.933 3.376 1.00 0.00 N ATOM 621 CA ILE A 36 -2.614 0.505 3.250 1.00 0.00 C ATOM 622 C ILE A 36 -1.417 -0.421 3.114 1.00 0.00 C ATOM 623 O ILE A 36 -1.431 -1.539 3.592 1.00 0.00 O ATOM 624 CB ILE A 36 -3.459 0.456 1.980 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.588 0.822 0.765 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.612 1.445 2.108 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.435 0.833 -0.504 1.00 0.00 C ATOM 0 H ILE A 36 -1.831 2.359 2.520 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.162 0.175 4.132 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.857 -0.549 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.133 1.801 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.774 0.104 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.219 1.415 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.227 1.178 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.215 2.451 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.809 1.093 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.869 -0.155 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.233 1.568 -0.402 1.00 0.00 H new ATOM 639 N GLY A 37 -0.402 0.009 2.435 1.00 0.00 N ATOM 640 CA GLY A 37 0.762 -0.882 2.240 1.00 0.00 C ATOM 641 C GLY A 37 2.041 -0.296 2.824 1.00 0.00 C ATOM 642 O GLY A 37 2.131 0.872 3.147 1.00 0.00 O ATOM 0 H GLY A 37 -0.327 0.933 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.561 -1.847 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.902 -1.066 1.175 1.00 0.00 H new ATOM 646 N TYR A 38 3.048 -1.119 2.904 1.00 0.00 N ATOM 647 CA TYR A 38 4.377 -0.664 3.401 1.00 0.00 C ATOM 648 C TYR A 38 5.487 -1.338 2.579 1.00 0.00 C ATOM 649 O TYR A 38 5.536 -2.548 2.485 1.00 0.00 O ATOM 650 CB TYR A 38 4.443 -1.114 4.860 1.00 0.00 C ATOM 651 CG TYR A 38 5.750 -0.653 5.460 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.904 -1.431 5.306 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.808 0.553 6.169 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.115 -1.004 5.861 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.021 0.980 6.725 1.00 0.00 C ATOM 656 CZ TYR A 38 8.173 0.200 6.571 1.00 0.00 C ATOM 657 OH TYR A 38 9.368 0.621 7.117 1.00 0.00 O ATOM 0 H TYR A 38 3.006 -2.104 2.642 1.00 0.00 H new ATOM 0 HA TYR A 38 4.508 0.414 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.605 -0.699 5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.362 -2.199 4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.859 -2.361 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.918 1.154 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.005 -1.604 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.067 1.910 7.272 1.00 0.00 H new ATOM 0 HH TYR A 38 9.235 1.477 7.576 1.00 0.00 H new ATOM 667 N TYR A 39 6.389 -0.586 1.995 1.00 0.00 N ATOM 668 CA TYR A 39 7.482 -1.240 1.211 1.00 0.00 C ATOM 669 C TYR A 39 8.833 -0.953 1.877 1.00 0.00 C ATOM 670 O TYR A 39 9.042 0.103 2.440 1.00 0.00 O ATOM 671 CB TYR A 39 7.453 -0.635 -0.198 1.00 0.00 C ATOM 672 CG TYR A 39 8.457 -1.365 -1.069 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.832 -1.204 -0.852 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.010 -2.225 -2.080 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.755 -1.901 -1.641 1.00 0.00 C ATOM 676 CE2 TYR A 39 8.936 -2.918 -2.872 1.00 0.00 C ATOM 677 CZ TYR A 39 10.306 -2.756 -2.652 1.00 0.00 C ATOM 678 OH TYR A 39 11.215 -3.442 -3.430 1.00 0.00 O ATOM 0 H TYR A 39 6.416 0.433 2.026 1.00 0.00 H new ATOM 0 HA TYR A 39 7.343 -2.320 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.453 -0.720 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.693 0.428 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.181 -0.541 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.951 -2.354 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.814 -1.778 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.590 -3.578 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 39 10.736 -3.993 -4.084 1.00 0.00 H new ATOM 688 N ASP A 40 9.758 -1.871 1.806 1.00 0.00 N ATOM 689 CA ASP A 40 11.096 -1.625 2.423 1.00 0.00 C ATOM 690 C ASP A 40 12.202 -2.101 1.469 1.00 0.00 C ATOM 691 O ASP A 40 12.457 -3.284 1.363 1.00 0.00 O ATOM 692 CB ASP A 40 11.100 -2.449 3.712 1.00 0.00 C ATOM 693 CG ASP A 40 12.383 -2.166 4.494 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.669 -1.003 4.725 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.059 -3.118 4.850 1.00 0.00 O ATOM 0 H ASP A 40 9.648 -2.777 1.350 1.00 0.00 H new ATOM 0 HA ASP A 40 11.276 -0.569 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.229 -2.199 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.031 -3.511 3.477 1.00 0.00 H new ATOM 838 N LEU A 49 8.098 -6.651 1.944 1.00 0.00 N ATOM 839 CA LEU A 49 6.767 -6.109 1.548 1.00 0.00 C ATOM 840 C LEU A 49 5.697 -6.478 2.577 1.00 0.00 C ATOM 841 O LEU A 49 5.442 -7.636 2.841 1.00 0.00 O ATOM 842 CB LEU A 49 6.458 -6.766 0.204 1.00 0.00 C ATOM 843 CG LEU A 49 5.406 -5.940 -0.534 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.943 -4.528 -0.782 1.00 0.00 C ATOM 845 CD2 LEU A 49 5.084 -6.608 -1.872 1.00 0.00 C ATOM 0 HA LEU A 49 6.776 -5.021 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.366 -6.838 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.096 -7.782 0.358 1.00 0.00 H new ATOM 0 HG LEU A 49 4.501 -5.880 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.191 -3.940 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.172 -4.053 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.848 -4.584 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.333 -6.020 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.989 -6.668 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.699 -7.612 -1.694 1.00 0.00 H new ATOM 857 N LYS A 50 5.063 -5.493 3.151 1.00 0.00 N ATOM 858 CA LYS A 50 3.997 -5.763 4.155 1.00 0.00 C ATOM 859 C LYS A 50 2.774 -4.898 3.838 1.00 0.00 C ATOM 860 O LYS A 50 2.758 -3.713 4.110 1.00 0.00 O ATOM 861 CB LYS A 50 4.614 -5.359 5.496 1.00 0.00 C ATOM 862 CG LYS A 50 3.723 -5.844 6.638 1.00 0.00 C ATOM 863 CD LYS A 50 3.855 -4.894 7.832 1.00 0.00 C ATOM 864 CE LYS A 50 3.807 -5.698 9.133 1.00 0.00 C ATOM 865 NZ LYS A 50 3.004 -4.865 10.070 1.00 0.00 N ATOM 0 H LYS A 50 5.239 -4.506 2.966 1.00 0.00 H new ATOM 0 HA LYS A 50 3.668 -6.802 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.611 -5.788 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.727 -4.276 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.685 -5.888 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.008 -6.854 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.792 -4.341 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.050 -4.159 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.346 -6.673 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.809 -5.877 9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.926 -5.350 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.471 -3.945 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.053 -4.717 9.675 1.00 0.00 H new ATOM 879 N VAL A 51 1.753 -5.466 3.252 1.00 0.00 N ATOM 880 CA VAL A 51 0.555 -4.647 2.915 1.00 0.00 C ATOM 881 C VAL A 51 -0.702 -5.218 3.570 1.00 0.00 C ATOM 882 O VAL A 51 -0.935 -6.411 3.565 1.00 0.00 O ATOM 883 CB VAL A 51 0.451 -4.694 1.366 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.008 -4.837 0.889 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.995 -3.396 0.787 1.00 0.00 C ATOM 0 H VAL A 51 1.698 -6.452 2.995 1.00 0.00 H new ATOM 0 HA VAL A 51 0.647 -3.625 3.282 1.00 0.00 H new ATOM 0 HB VAL A 51 1.022 -5.559 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.033 -4.866 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.432 -5.759 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.592 -3.987 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.924 -3.425 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.413 -2.556 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.038 -3.276 1.079 1.00 0.00 H new ATOM 895 N ASP A 52 -1.547 -4.360 4.057 1.00 0.00 N ATOM 896 CA ASP A 52 -2.824 -4.839 4.623 1.00 0.00 C ATOM 897 C ASP A 52 -3.765 -5.036 3.442 1.00 0.00 C ATOM 898 O ASP A 52 -4.694 -4.278 3.245 1.00 0.00 O ATOM 899 CB ASP A 52 -3.315 -3.720 5.541 1.00 0.00 C ATOM 900 CG ASP A 52 -4.069 -4.329 6.724 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.413 -4.786 7.646 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.289 -4.333 6.687 1.00 0.00 O ATOM 0 H ASP A 52 -1.406 -3.350 4.086 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.749 -5.771 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.471 -3.130 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.967 -3.042 4.990 1.00 0.00 H new ATOM 907 N VAL A 53 -3.477 -6.028 2.628 1.00 0.00 N ATOM 908 CA VAL A 53 -4.291 -6.308 1.394 1.00 0.00 C ATOM 909 C VAL A 53 -5.779 -5.990 1.606 1.00 0.00 C ATOM 910 O VAL A 53 -6.460 -5.577 0.690 1.00 0.00 O ATOM 911 CB VAL A 53 -4.047 -7.801 1.066 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.059 -8.650 2.340 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.125 -8.319 0.107 1.00 0.00 C ATOM 0 H VAL A 53 -2.696 -6.669 2.769 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.990 -5.671 0.562 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.068 -7.882 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.885 -9.695 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.274 -8.307 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.027 -8.554 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.940 -9.370 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.106 -8.213 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.096 -7.743 -0.818 1.00 0.00 H new ATOM 923 N GLU A 54 -6.284 -6.143 2.799 1.00 0.00 N ATOM 924 CA GLU A 54 -7.711 -5.803 3.025 1.00 0.00 C ATOM 925 C GLU A 54 -7.914 -4.313 2.766 1.00 0.00 C ATOM 926 O GLU A 54 -8.752 -3.915 1.981 1.00 0.00 O ATOM 927 CB GLU A 54 -7.992 -6.148 4.488 1.00 0.00 C ATOM 928 CG GLU A 54 -9.482 -5.961 4.777 1.00 0.00 C ATOM 929 CD GLU A 54 -10.295 -6.930 3.918 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.065 -8.123 4.028 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.133 -6.463 3.164 1.00 0.00 O ATOM 0 H GLU A 54 -5.776 -6.484 3.615 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.384 -6.348 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.697 -7.177 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.400 -5.509 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.683 -6.139 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.778 -4.934 4.564 1.00 0.00 H new ATOM 938 N ARG A 55 -7.132 -3.486 3.403 1.00 0.00 N ATOM 939 CA ARG A 55 -7.257 -2.026 3.176 1.00 0.00 C ATOM 940 C ARG A 55 -6.684 -1.686 1.801 1.00 0.00 C ATOM 941 O ARG A 55 -7.214 -0.869 1.079 1.00 0.00 O ATOM 942 CB ARG A 55 -6.434 -1.380 4.284 1.00 0.00 C ATOM 943 CG ARG A 55 -7.337 -1.069 5.480 1.00 0.00 C ATOM 944 CD ARG A 55 -7.183 0.405 5.861 1.00 0.00 C ATOM 945 NE ARG A 55 -5.715 0.601 6.038 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.127 0.344 7.184 1.00 0.00 C ATOM 947 NH1 ARG A 55 -5.803 -0.131 8.201 1.00 0.00 N ATOM 948 NH2 ARG A 55 -3.844 0.547 7.307 1.00 0.00 N ATOM 0 H ARG A 55 -6.412 -3.762 4.071 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.289 -1.677 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.628 -2.047 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.969 -0.464 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.376 -1.286 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.072 -1.704 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.578 1.058 5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.726 0.636 6.777 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.157 0.941 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.804 -0.307 8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.329 -0.324 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.306 0.903 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.379 0.350 8.193 1.00 0.00 H new ATOM 962 N ALA A 56 -5.625 -2.340 1.411 1.00 0.00 N ATOM 963 CA ALA A 56 -5.065 -2.080 0.067 1.00 0.00 C ATOM 964 C ALA A 56 -6.108 -2.532 -0.962 1.00 0.00 C ATOM 965 O ALA A 56 -6.097 -2.113 -2.105 1.00 0.00 O ATOM 966 CB ALA A 56 -3.770 -2.904 0.002 1.00 0.00 C ATOM 0 H ALA A 56 -5.130 -3.038 1.965 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.840 -1.033 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.296 -2.762 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.090 -2.576 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.003 -3.960 0.141 1.00 0.00 H new ATOM 972 N ARG A 57 -7.041 -3.366 -0.546 1.00 0.00 N ATOM 973 CA ARG A 57 -8.104 -3.821 -1.473 1.00 0.00 C ATOM 974 C ARG A 57 -9.291 -2.845 -1.421 1.00 0.00 C ATOM 975 O ARG A 57 -10.057 -2.731 -2.357 1.00 0.00 O ATOM 976 CB ARG A 57 -8.516 -5.207 -0.971 1.00 0.00 C ATOM 977 CG ARG A 57 -9.715 -5.711 -1.779 1.00 0.00 C ATOM 978 CD ARG A 57 -9.301 -6.932 -2.606 1.00 0.00 C ATOM 979 NE ARG A 57 -9.924 -8.098 -1.914 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.946 -9.282 -2.480 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.435 -9.470 -3.670 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.489 -10.288 -1.849 1.00 0.00 N ATOM 0 H ARG A 57 -7.101 -3.744 0.399 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.764 -3.859 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.682 -5.902 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.772 -5.160 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.533 -5.974 -1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.081 -4.922 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.653 -6.850 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.216 -7.031 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.338 -7.973 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.011 -8.690 -4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.460 -10.397 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.893 -10.151 -0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.510 -11.211 -2.283 1.00 0.00 H new ATOM 996 N TYR A 58 -9.426 -2.119 -0.338 1.00 0.00 N ATOM 997 CA TYR A 58 -10.530 -1.122 -0.219 1.00 0.00 C ATOM 998 C TYR A 58 -10.349 -0.124 -1.337 1.00 0.00 C ATOM 999 O TYR A 58 -11.265 0.265 -2.040 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.278 -0.457 1.143 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.874 0.940 1.217 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.085 1.222 0.580 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.208 1.950 1.933 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.637 2.507 0.655 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.762 3.234 2.010 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.975 3.511 1.370 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.521 4.776 1.448 1.00 0.00 O ATOM 0 H TYR A 58 -8.812 -2.177 0.474 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.535 -1.540 -0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.706 -1.075 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.205 -0.403 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.597 0.447 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.270 1.736 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.573 2.723 0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.253 4.010 2.563 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.936 5.353 1.982 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.141 0.285 -1.471 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.780 1.270 -2.503 1.00 0.00 C ATOM 1019 C TRP A 59 -8.949 0.659 -3.875 1.00 0.00 C ATOM 1020 O TRP A 59 -9.729 1.122 -4.680 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.337 1.604 -2.172 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.396 2.327 -0.881 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.895 1.911 0.300 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.078 3.566 -0.630 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.207 2.856 1.266 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.941 3.902 0.731 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.786 4.428 -1.469 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.499 5.069 1.249 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.352 5.601 -0.959 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.210 5.923 0.397 1.00 0.00 C ATOM 0 H TRP A 59 -8.362 -0.030 -0.893 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.402 2.165 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.732 0.701 -2.091 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.887 2.221 -2.949 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.344 0.997 0.465 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.931 2.789 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.897 4.188 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.384 5.312 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.901 6.262 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.649 6.830 0.785 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.267 -0.410 -4.135 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.442 -1.081 -5.451 1.00 0.00 C ATOM 1043 C LEU A 60 -9.938 -1.344 -5.672 1.00 0.00 C ATOM 1044 O LEU A 60 -10.401 -1.476 -6.787 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.671 -2.397 -5.336 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.187 -2.145 -5.598 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.350 -3.088 -4.732 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.881 -2.404 -7.075 1.00 0.00 C ATOM 0 H LEU A 60 -7.599 -0.850 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.080 -0.485 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.808 -2.825 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.059 -3.122 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.943 -1.112 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.291 -2.909 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.569 -2.907 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.592 -4.121 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.823 -2.225 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.124 -3.438 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.479 -1.734 -7.693 1.00 0.00 H new ATOM 1060 N SER A 61 -10.696 -1.407 -4.600 1.00 0.00 N ATOM 1061 CA SER A 61 -12.156 -1.645 -4.729 1.00 0.00 C ATOM 1062 C SER A 61 -12.886 -0.337 -5.071 1.00 0.00 C ATOM 1063 O SER A 61 -13.993 -0.356 -5.572 1.00 0.00 O ATOM 1064 CB SER A 61 -12.596 -2.169 -3.362 1.00 0.00 C ATOM 1065 OG SER A 61 -13.964 -1.847 -3.153 1.00 0.00 O ATOM 0 H SER A 61 -10.358 -1.303 -3.643 1.00 0.00 H new ATOM 0 HA SER A 61 -12.388 -2.349 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.453 -3.248 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.983 -1.728 -2.576 1.00 0.00 H new ATOM 0 HG SER A 61 -14.249 -2.183 -2.278 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.285 0.800 -4.815 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.967 2.079 -5.143 1.00 0.00 C ATOM 1073 C VAL A 62 -12.439 2.608 -6.476 1.00 0.00 C ATOM 1074 O VAL A 62 -12.362 3.798 -6.707 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.642 3.055 -3.991 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.858 2.380 -2.633 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.188 3.543 -4.081 1.00 0.00 C ATOM 0 H VAL A 62 -11.359 0.892 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.045 1.954 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.314 3.908 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.623 3.085 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.898 2.065 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.207 1.510 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.983 4.229 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.513 2.689 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.035 4.057 -5.030 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.075 1.717 -7.347 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.543 2.137 -8.673 1.00 0.00 C ATOM 1089 C GLY A 63 -10.141 2.725 -8.496 1.00 0.00 C ATOM 1090 O GLY A 63 -9.691 3.523 -9.295 1.00 0.00 O ATOM 0 H GLY A 63 -12.122 0.709 -7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.508 1.283 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.205 2.876 -9.125 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.445 2.344 -7.457 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.080 2.890 -7.245 1.00 0.00 C ATOM 1096 C ALA A 64 -7.109 2.298 -8.267 1.00 0.00 C ATOM 1097 O ALA A 64 -7.206 1.144 -8.632 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.694 2.464 -5.830 1.00 0.00 C ATOM 0 H ALA A 64 -9.764 1.681 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.047 3.973 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.694 2.832 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.407 2.880 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.705 1.376 -5.762 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.172 3.078 -8.731 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.198 2.555 -9.730 1.00 0.00 C ATOM 1106 C GLN A 65 -3.774 2.590 -9.155 1.00 0.00 C ATOM 1107 O GLN A 65 -3.266 3.649 -8.841 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.313 3.503 -10.924 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.740 3.456 -11.479 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.702 3.643 -12.996 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.725 4.121 -13.536 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.733 3.283 -13.712 1.00 0.00 N ATOM 0 H GLN A 65 -6.039 4.053 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.404 1.521 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.063 4.519 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.601 3.218 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.207 2.503 -11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.346 4.237 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.554 2.881 -13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.718 3.403 -14.725 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.168 1.433 -9.036 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.791 1.360 -8.501 1.00 0.00 C ATOM 1123 C PRO A 66 -0.783 1.688 -9.609 1.00 0.00 C ATOM 1124 O PRO A 66 -0.998 1.378 -10.764 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.653 -0.094 -8.065 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.625 -0.857 -8.912 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.696 0.104 -9.371 1.00 0.00 C ATOM 0 HA PRO A 66 -1.605 2.063 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.635 -0.454 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.880 -0.210 -7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.118 -1.301 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.066 -1.676 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.882 0.009 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.643 -0.086 -8.865 1.00 0.00 H new ATOM 1135 N THR A 67 0.316 2.306 -9.272 1.00 0.00 N ATOM 1136 CA THR A 67 1.329 2.639 -10.316 1.00 0.00 C ATOM 1137 C THR A 67 2.008 1.359 -10.812 1.00 0.00 C ATOM 1138 O THR A 67 1.611 0.262 -10.465 1.00 0.00 O ATOM 1139 CB THR A 67 2.343 3.543 -9.611 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.340 3.945 -10.540 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.996 2.778 -8.458 1.00 0.00 C ATOM 0 H THR A 67 0.557 2.594 -8.324 1.00 0.00 H new ATOM 0 HA THR A 67 0.885 3.125 -11.185 1.00 0.00 H new ATOM 0 HB THR A 67 1.835 4.423 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.918 4.170 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.718 3.422 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.230 2.469 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.506 1.897 -8.848 1.00 0.00 H new ATOM 1149 N ASP A 68 3.038 1.485 -11.609 1.00 0.00 N ATOM 1150 CA ASP A 68 3.746 0.269 -12.116 1.00 0.00 C ATOM 1151 C ASP A 68 4.750 -0.230 -11.071 1.00 0.00 C ATOM 1152 O ASP A 68 5.908 -0.459 -11.362 1.00 0.00 O ATOM 1153 CB ASP A 68 4.469 0.728 -13.382 1.00 0.00 C ATOM 1154 CG ASP A 68 4.419 -0.384 -14.430 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.348 -0.618 -14.966 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.453 -0.981 -14.681 1.00 0.00 O ATOM 0 H ASP A 68 3.419 2.375 -11.931 1.00 0.00 H new ATOM 0 HA ASP A 68 3.061 -0.555 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.002 1.632 -13.773 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.504 0.979 -13.152 1.00 0.00 H new ATOM 1161 N THR A 69 4.302 -0.396 -9.862 1.00 0.00 N ATOM 1162 CA THR A 69 5.186 -0.872 -8.767 1.00 0.00 C ATOM 1163 C THR A 69 4.305 -1.305 -7.607 1.00 0.00 C ATOM 1164 O THR A 69 4.287 -2.451 -7.210 1.00 0.00 O ATOM 1165 CB THR A 69 6.003 0.342 -8.367 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.617 0.912 -9.514 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.078 -0.048 -7.347 1.00 0.00 C ATOM 0 H THR A 69 3.338 -0.218 -9.580 1.00 0.00 H new ATOM 0 HA THR A 69 5.822 -1.708 -9.057 1.00 0.00 H new ATOM 0 HB THR A 69 5.336 1.074 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.918 0.197 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.655 0.835 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.603 -0.463 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.742 -0.793 -7.785 1.00 0.00 H new ATOM 1175 N ALA A 70 3.531 -0.390 -7.088 1.00 0.00 N ATOM 1176 CA ALA A 70 2.614 -0.740 -5.985 1.00 0.00 C ATOM 1177 C ALA A 70 1.582 -1.716 -6.525 1.00 0.00 C ATOM 1178 O ALA A 70 1.013 -2.503 -5.797 1.00 0.00 O ATOM 1179 CB ALA A 70 1.957 0.576 -5.569 1.00 0.00 C ATOM 0 H ALA A 70 3.500 0.585 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 70 3.113 -1.206 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.261 0.392 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.724 1.278 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.417 0.997 -6.417 1.00 0.00 H new ATOM 1185 N ARG A 71 1.361 -1.693 -7.814 1.00 0.00 N ATOM 1186 CA ARG A 71 0.399 -2.637 -8.398 1.00 0.00 C ATOM 1187 C ARG A 71 1.001 -4.025 -8.289 1.00 0.00 C ATOM 1188 O ARG A 71 0.359 -4.966 -7.866 1.00 0.00 O ATOM 1189 CB ARG A 71 0.249 -2.221 -9.863 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.765 -3.137 -10.553 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.307 -2.446 -11.807 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.480 -3.539 -12.809 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.439 -4.137 -13.338 1.00 0.00 C ATOM 1194 NH1 ARG A 71 0.780 -3.807 -12.986 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.619 -5.078 -14.224 1.00 0.00 N ATOM 0 H ARG A 71 1.810 -1.059 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.571 -2.636 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.080 -1.184 -9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.212 -2.281 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.293 -4.083 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.583 -3.371 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.253 -1.945 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.615 -1.686 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.419 -3.824 -13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.930 -3.075 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.579 -4.282 -13.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.564 -5.344 -14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.185 -5.548 -14.640 1.00 0.00 H new ATOM 1209 N ARG A 72 2.251 -4.151 -8.647 1.00 0.00 N ATOM 1210 CA ARG A 72 2.899 -5.474 -8.551 1.00 0.00 C ATOM 1211 C ARG A 72 3.143 -5.843 -7.089 1.00 0.00 C ATOM 1212 O ARG A 72 3.524 -6.953 -6.774 1.00 0.00 O ATOM 1213 CB ARG A 72 4.219 -5.332 -9.301 1.00 0.00 C ATOM 1214 CG ARG A 72 4.242 -6.330 -10.452 1.00 0.00 C ATOM 1215 CD ARG A 72 5.461 -6.059 -11.338 1.00 0.00 C ATOM 1216 NE ARG A 72 5.425 -7.121 -12.386 1.00 0.00 N ATOM 1217 CZ ARG A 72 4.581 -7.050 -13.388 1.00 0.00 C ATOM 1218 NH1 ARG A 72 3.727 -6.061 -13.481 1.00 0.00 N ATOM 1219 NH2 ARG A 72 4.591 -7.978 -14.305 1.00 0.00 N ATOM 0 H ARG A 72 2.841 -3.397 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 72 2.279 -6.264 -8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.330 -4.316 -9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.057 -5.514 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.280 -7.348 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.327 -6.246 -11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.412 -5.065 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.385 -6.105 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 72 6.065 -7.913 -12.322 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.712 -5.332 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.077 -6.020 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.252 -8.752 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.938 -7.929 -15.087 1.00 0.00 H new ATOM 1233 N LEU A 73 2.917 -4.929 -6.191 1.00 0.00 N ATOM 1234 CA LEU A 73 3.113 -5.235 -4.763 1.00 0.00 C ATOM 1235 C LEU A 73 1.753 -5.463 -4.125 1.00 0.00 C ATOM 1236 O LEU A 73 1.619 -6.206 -3.173 1.00 0.00 O ATOM 1237 CB LEU A 73 3.823 -4.015 -4.185 1.00 0.00 C ATOM 1238 CG LEU A 73 5.153 -3.832 -4.914 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.665 -2.405 -4.708 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.168 -4.826 -4.358 1.00 0.00 C ATOM 0 H LEU A 73 2.603 -3.980 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 73 3.703 -6.134 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.203 -3.126 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.993 -4.147 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 73 5.012 -4.008 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.614 -2.280 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.937 -1.697 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.809 -2.220 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.120 -4.701 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.307 -4.646 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.803 -5.842 -4.510 1.00 0.00 H new ATOM 1252 N LEU A 74 0.725 -4.878 -4.680 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.623 -5.130 -4.136 1.00 0.00 C ATOM 1254 C LEU A 74 -0.992 -6.556 -4.527 1.00 0.00 C ATOM 1255 O LEU A 74 -1.690 -7.255 -3.821 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.549 -4.114 -4.808 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.369 -2.744 -4.156 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.056 -1.675 -5.009 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.992 -2.762 -2.759 1.00 0.00 C ATOM 0 H LEU A 74 0.768 -4.244 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.691 -5.027 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.326 -4.053 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.586 -4.437 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.306 -2.515 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.927 -0.699 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.612 -1.663 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.119 -1.901 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.865 -1.786 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.055 -2.991 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.501 -3.522 -2.151 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.476 -7.006 -5.644 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.741 -8.393 -6.082 1.00 0.00 C ATOM 1273 C ARG A 75 0.138 -9.328 -5.252 1.00 0.00 C ATOM 1274 O ARG A 75 -0.201 -10.466 -4.997 1.00 0.00 O ATOM 1275 CB ARG A 75 -0.366 -8.427 -7.576 1.00 0.00 C ATOM 1276 CG ARG A 75 1.153 -8.406 -7.751 1.00 0.00 C ATOM 1277 CD ARG A 75 1.688 -9.841 -7.747 1.00 0.00 C ATOM 1278 NE ARG A 75 2.365 -10.007 -9.066 1.00 0.00 N ATOM 1279 CZ ARG A 75 3.090 -11.070 -9.321 1.00 0.00 C ATOM 1280 NH1 ARG A 75 3.234 -12.019 -8.427 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.674 -11.187 -10.482 1.00 0.00 N ATOM 0 H ARG A 75 0.120 -6.462 -6.268 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.776 -8.709 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.778 -9.323 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.808 -7.572 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.415 -7.912 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.614 -7.832 -6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.384 -10.000 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.880 -10.563 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 75 2.263 -9.285 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.779 -11.937 -7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.801 -12.839 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.565 -10.455 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.239 -12.011 -10.688 1.00 0.00 H new ATOM 1295 N GLN A 76 1.267 -8.830 -4.816 1.00 0.00 N ATOM 1296 CA GLN A 76 2.178 -9.646 -3.990 1.00 0.00 C ATOM 1297 C GLN A 76 1.641 -9.724 -2.578 1.00 0.00 C ATOM 1298 O GLN A 76 1.773 -10.717 -1.891 1.00 0.00 O ATOM 1299 CB GLN A 76 3.494 -8.891 -4.030 1.00 0.00 C ATOM 1300 CG GLN A 76 4.629 -9.810 -3.589 1.00 0.00 C ATOM 1301 CD GLN A 76 4.704 -11.016 -4.526 1.00 0.00 C ATOM 1302 OE1 GLN A 76 4.903 -12.131 -4.087 1.00 0.00 O ATOM 1303 NE2 GLN A 76 4.548 -10.839 -5.811 1.00 0.00 N ATOM 0 H GLN A 76 1.591 -7.881 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 76 2.286 -10.670 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.682 -8.523 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.444 -8.020 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.575 -9.268 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.464 -10.142 -2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.381 -9.903 -6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.593 -11.637 -6.445 1.00 0.00 H new ATOM 1312 N ALA A 77 1.014 -8.679 -2.158 1.00 0.00 N ATOM 1313 CA ALA A 77 0.427 -8.660 -0.799 1.00 0.00 C ATOM 1314 C ALA A 77 -0.736 -9.658 -0.718 1.00 0.00 C ATOM 1315 O ALA A 77 -1.254 -9.933 0.346 1.00 0.00 O ATOM 1316 CB ALA A 77 -0.078 -7.234 -0.599 1.00 0.00 C ATOM 0 H ALA A 77 0.879 -7.826 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 77 1.149 -8.943 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.528 -7.143 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.756 -6.537 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.823 -7.002 -1.360 1.00 0.00 H new ATOM 1322 N GLY A 78 -1.152 -10.206 -1.835 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.277 -11.182 -1.812 1.00 0.00 C ATOM 1324 C GLY A 78 -3.594 -10.474 -2.148 1.00 0.00 C ATOM 1325 O GLY A 78 -4.663 -10.984 -1.880 1.00 0.00 O ATOM 0 H GLY A 78 -0.759 -10.017 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.091 -11.981 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.345 -11.647 -0.829 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.535 -9.303 -2.732 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.794 -8.584 -3.074 1.00 0.00 C ATOM 1331 C VAL A 79 -5.407 -9.173 -4.344 1.00 0.00 C ATOM 1332 O VAL A 79 -6.462 -9.774 -4.316 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.400 -7.126 -3.296 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.664 -6.283 -3.473 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.611 -6.602 -2.090 1.00 0.00 C ATOM 0 H VAL A 79 -2.674 -8.819 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.538 -8.676 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.777 -7.058 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.387 -5.241 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.225 -6.645 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.282 -6.362 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.335 -5.561 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.227 -6.673 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.709 -7.199 -1.958 1.00 0.00 H new