USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -129:sc= 0.0031 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.138! USER MOD Single : A 76 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.156 8.810 -7.005 1.00 0.00 N ATOM 21 CA VAL A 2 -7.709 7.775 -6.028 1.00 0.00 C ATOM 22 C VAL A 2 -6.658 6.862 -6.669 1.00 0.00 C ATOM 23 O VAL A 2 -6.960 6.062 -7.531 1.00 0.00 O ATOM 24 CB VAL A 2 -8.969 6.983 -5.682 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.645 5.965 -4.587 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.053 7.940 -5.180 1.00 0.00 C ATOM 0 HA VAL A 2 -7.250 8.215 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.326 6.463 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.543 5.399 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.873 5.283 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.288 6.487 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.952 7.375 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.696 8.460 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.284 8.668 -5.958 1.00 0.00 H new ATOM 36 N LYS A 3 -5.426 6.984 -6.258 1.00 0.00 N ATOM 37 CA LYS A 3 -4.353 6.131 -6.846 1.00 0.00 C ATOM 38 C LYS A 3 -3.378 5.676 -5.753 1.00 0.00 C ATOM 39 O LYS A 3 -2.934 6.465 -4.942 1.00 0.00 O ATOM 40 CB LYS A 3 -3.653 7.049 -7.856 1.00 0.00 C ATOM 41 CG LYS A 3 -2.375 6.387 -8.378 1.00 0.00 C ATOM 42 CD LYS A 3 -2.332 6.504 -9.904 1.00 0.00 C ATOM 43 CE LYS A 3 -1.633 5.278 -10.495 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.913 5.790 -11.696 1.00 0.00 N ATOM 0 H LYS A 3 -5.115 7.638 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.740 5.224 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.324 7.266 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.411 8.002 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.499 6.865 -7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.347 5.339 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.344 6.584 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.803 7.412 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.941 4.834 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.352 4.505 -10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.408 5.007 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.598 6.201 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.231 6.520 -11.407 1.00 0.00 H new ATOM 58 N ILE A 4 -3.035 4.415 -5.725 1.00 0.00 N ATOM 59 CA ILE A 4 -2.085 3.932 -4.690 1.00 0.00 C ATOM 60 C ILE A 4 -0.691 3.759 -5.301 1.00 0.00 C ATOM 61 O ILE A 4 -0.538 3.207 -6.373 1.00 0.00 O ATOM 62 CB ILE A 4 -2.654 2.609 -4.192 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.001 2.869 -3.519 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.690 1.985 -3.183 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.674 1.538 -3.200 1.00 0.00 C ATOM 0 H ILE A 4 -3.372 3.704 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.975 4.636 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.787 1.926 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.858 3.445 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.638 3.463 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.098 1.039 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.727 1.808 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.557 2.663 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.635 1.722 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.830 0.979 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.038 0.960 -2.529 1.00 0.00 H new ATOM 77 N ARG A 5 0.328 4.246 -4.640 1.00 0.00 N ATOM 78 CA ARG A 5 1.704 4.129 -5.197 1.00 0.00 C ATOM 79 C ARG A 5 2.745 4.080 -4.075 1.00 0.00 C ATOM 80 O ARG A 5 2.411 4.013 -2.914 1.00 0.00 O ATOM 81 CB ARG A 5 1.890 5.389 -6.043 1.00 0.00 C ATOM 82 CG ARG A 5 1.661 6.624 -5.168 1.00 0.00 C ATOM 83 CD ARG A 5 2.970 7.403 -5.031 1.00 0.00 C ATOM 84 NE ARG A 5 2.585 8.830 -5.233 1.00 0.00 N ATOM 85 CZ ARG A 5 2.254 9.275 -6.422 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.265 8.483 -7.464 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.911 10.524 -6.567 1.00 0.00 N ATOM 0 H ARG A 5 0.264 4.719 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 5 1.833 3.216 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.894 5.411 -6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.190 5.386 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.893 7.258 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.300 6.324 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.421 7.250 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.701 7.082 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 5 2.579 9.468 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.534 7.505 -7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.005 8.844 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.901 11.147 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.652 10.878 -7.488 1.00 0.00 H new ATOM 101 N LEU A 6 4.008 4.128 -4.416 1.00 0.00 N ATOM 102 CA LEU A 6 5.069 4.088 -3.367 1.00 0.00 C ATOM 103 C LEU A 6 5.395 5.504 -2.883 1.00 0.00 C ATOM 104 O LEU A 6 5.696 6.383 -3.663 1.00 0.00 O ATOM 105 CB LEU A 6 6.292 3.488 -4.064 1.00 0.00 C ATOM 106 CG LEU A 6 6.255 1.967 -3.955 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.829 1.372 -5.298 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.646 1.448 -3.584 1.00 0.00 C ATOM 0 H LEU A 6 4.349 4.193 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 6 4.758 3.510 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.307 3.786 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.205 3.872 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 6 5.542 1.674 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.802 0.285 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.838 1.742 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.543 1.664 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.620 0.361 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.360 1.740 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.950 1.873 -2.627 1.00 0.00 H new ATOM 120 N ALA A 7 5.327 5.730 -1.600 1.00 0.00 N ATOM 121 CA ALA A 7 5.622 7.088 -1.062 1.00 0.00 C ATOM 122 C ALA A 7 7.044 7.166 -0.509 1.00 0.00 C ATOM 123 O ALA A 7 7.325 6.674 0.557 1.00 0.00 O ATOM 124 CB ALA A 7 4.618 7.259 0.069 1.00 0.00 C ATOM 0 H ALA A 7 5.079 5.031 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 7 5.547 7.859 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.755 8.236 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.606 7.185 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.773 6.479 0.814 1.00 0.00 H new ATOM 130 N ARG A 8 7.939 7.789 -1.222 1.00 0.00 N ATOM 131 CA ARG A 8 9.344 7.898 -0.732 1.00 0.00 C ATOM 132 C ARG A 8 9.445 8.876 0.445 1.00 0.00 C ATOM 133 O ARG A 8 9.172 10.053 0.308 1.00 0.00 O ATOM 134 CB ARG A 8 10.133 8.433 -1.925 1.00 0.00 C ATOM 135 CG ARG A 8 11.629 8.206 -1.695 1.00 0.00 C ATOM 136 CD ARG A 8 12.303 9.542 -1.375 1.00 0.00 C ATOM 137 NE ARG A 8 13.055 9.897 -2.613 1.00 0.00 N ATOM 138 CZ ARG A 8 13.412 11.137 -2.854 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.137 12.096 -2.003 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.054 11.418 -3.954 1.00 0.00 N ATOM 0 H ARG A 8 7.760 8.229 -2.125 1.00 0.00 H new ATOM 0 HA ARG A 8 9.720 6.940 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.815 7.931 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.933 9.496 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.780 7.505 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.081 7.761 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.567 10.307 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.971 9.453 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 8 13.295 9.166 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.639 11.884 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.421 13.054 -2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.275 10.677 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.335 12.379 -4.149 1.00 0.00 H new ATOM 276 N TYR A 17 9.426 3.073 0.969 1.00 0.00 N ATOM 277 CA TYR A 17 8.257 3.830 0.479 1.00 0.00 C ATOM 278 C TYR A 17 7.016 3.129 0.975 1.00 0.00 C ATOM 279 O TYR A 17 7.048 1.945 1.210 1.00 0.00 O ATOM 280 CB TYR A 17 8.269 3.714 -1.037 1.00 0.00 C ATOM 281 CG TYR A 17 9.587 4.127 -1.620 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.721 3.340 -1.421 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.664 5.290 -2.385 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.937 3.715 -1.986 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.878 5.671 -2.951 1.00 0.00 C ATOM 286 CZ TYR A 17 12.023 4.883 -2.753 1.00 0.00 C ATOM 287 OH TYR A 17 13.231 5.254 -3.313 1.00 0.00 O ATOM 0 HA TYR A 17 8.279 4.868 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.052 2.685 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.477 4.335 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.656 2.439 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.783 5.895 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.815 3.104 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.939 6.573 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 17 13.117 6.088 -3.815 1.00 0.00 H new ATOM 297 N ARG A 18 5.917 3.805 1.092 1.00 0.00 N ATOM 298 CA ARG A 18 4.697 3.085 1.517 1.00 0.00 C ATOM 299 C ARG A 18 3.762 2.974 0.331 1.00 0.00 C ATOM 300 O ARG A 18 3.834 3.747 -0.604 1.00 0.00 O ATOM 301 CB ARG A 18 4.054 3.914 2.619 1.00 0.00 C ATOM 302 CG ARG A 18 4.784 3.670 3.939 1.00 0.00 C ATOM 303 CD ARG A 18 3.821 3.031 4.941 1.00 0.00 C ATOM 304 NE ARG A 18 4.205 3.602 6.265 1.00 0.00 N ATOM 305 CZ ARG A 18 3.816 3.032 7.380 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.102 1.934 7.364 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.150 3.564 8.524 1.00 0.00 N ATOM 0 H ARG A 18 5.810 4.804 0.916 1.00 0.00 H new ATOM 0 HA ARG A 18 4.922 2.082 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.093 4.972 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.002 3.649 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.643 3.019 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.167 4.611 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.785 3.264 4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.912 1.945 4.938 1.00 0.00 H new ATOM 0 HE ARG A 18 4.777 4.446 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.840 1.509 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.808 1.504 8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.709 4.417 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.852 3.127 9.396 1.00 0.00 H new ATOM 321 N ILE A 19 2.858 2.058 0.380 1.00 0.00 N ATOM 322 CA ILE A 19 1.886 1.932 -0.717 1.00 0.00 C ATOM 323 C ILE A 19 0.670 2.663 -0.188 1.00 0.00 C ATOM 324 O ILE A 19 -0.221 2.094 0.409 1.00 0.00 O ATOM 325 CB ILE A 19 1.625 0.433 -0.938 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.777 -0.437 -0.416 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.512 0.162 -2.432 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.080 0.032 -1.062 1.00 0.00 C ATOM 0 H ILE A 19 2.749 1.385 1.139 1.00 0.00 H new ATOM 0 HA ILE A 19 2.201 2.342 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 19 0.710 0.184 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.845 -0.361 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.595 -1.486 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.327 -0.900 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.687 0.742 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.441 0.449 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.907 -0.579 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.005 -0.066 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.259 1.076 -0.804 1.00 0.00 H new ATOM 340 N VAL A 20 0.712 3.957 -0.309 1.00 0.00 N ATOM 341 CA VAL A 20 -0.335 4.818 0.275 1.00 0.00 C ATOM 342 C VAL A 20 -1.386 5.216 -0.770 1.00 0.00 C ATOM 343 O VAL A 20 -1.197 5.044 -1.955 1.00 0.00 O ATOM 344 CB VAL A 20 0.501 6.009 0.806 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.411 7.235 -0.110 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.037 6.381 2.208 1.00 0.00 C ATOM 0 H VAL A 20 1.449 4.461 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.934 4.346 1.054 1.00 0.00 H new ATOM 0 HB VAL A 20 1.543 5.691 0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.013 8.044 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.783 6.977 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.627 7.558 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.628 7.219 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.015 6.664 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.165 5.526 2.872 1.00 0.00 H new ATOM 356 N VAL A 21 -2.509 5.714 -0.321 1.00 0.00 N ATOM 357 CA VAL A 21 -3.599 6.087 -1.264 1.00 0.00 C ATOM 358 C VAL A 21 -3.788 7.606 -1.290 1.00 0.00 C ATOM 359 O VAL A 21 -4.328 8.188 -0.370 1.00 0.00 O ATOM 360 CB VAL A 21 -4.880 5.407 -0.728 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.688 4.872 -1.903 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.560 4.235 0.204 1.00 0.00 C ATOM 0 H VAL A 21 -2.716 5.878 0.664 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.367 5.768 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.440 6.154 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.593 4.391 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.959 5.696 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.091 4.146 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.489 3.787 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.979 3.488 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.984 4.595 1.056 1.00 0.00 H new ATOM 372 N THR A 22 -3.359 8.250 -2.338 1.00 0.00 N ATOM 373 CA THR A 22 -3.524 9.731 -2.421 1.00 0.00 C ATOM 374 C THR A 22 -4.035 10.126 -3.807 1.00 0.00 C ATOM 375 O THR A 22 -4.424 9.290 -4.599 1.00 0.00 O ATOM 376 CB THR A 22 -2.124 10.313 -2.180 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.139 11.704 -2.468 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.101 9.616 -3.081 1.00 0.00 C ATOM 0 H THR A 22 -2.902 7.818 -3.141 1.00 0.00 H new ATOM 0 HA THR A 22 -4.246 10.103 -1.694 1.00 0.00 H new ATOM 0 HB THR A 22 -1.845 10.154 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.247 12.080 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.112 10.037 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.087 8.549 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.375 9.765 -4.125 1.00 0.00 H new ATOM 543 N TYR A 32 -1.966 11.665 1.565 1.00 0.00 N ATOM 544 CA TYR A 32 -2.860 10.559 1.114 1.00 0.00 C ATOM 545 C TYR A 32 -4.077 10.434 2.028 1.00 0.00 C ATOM 546 O TYR A 32 -4.098 10.939 3.133 1.00 0.00 O ATOM 547 CB TYR A 32 -2.012 9.285 1.184 1.00 0.00 C ATOM 548 CG TYR A 32 -1.451 9.118 2.576 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.187 8.431 3.548 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.192 9.644 2.893 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.667 8.269 4.836 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.329 9.482 4.181 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.409 8.795 5.154 1.00 0.00 C ATOM 554 OH TYR A 32 0.104 8.633 6.426 1.00 0.00 O ATOM 0 HA TYR A 32 -3.238 10.742 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.619 8.419 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.200 9.338 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.158 8.026 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.376 10.174 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.236 7.738 5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.300 9.886 4.425 1.00 0.00 H new ATOM 0 HH TYR A 32 0.986 9.056 6.479 1.00 0.00 H new ATOM 564 N ILE A 33 -5.088 9.758 1.567 1.00 0.00 N ATOM 565 CA ILE A 33 -6.315 9.581 2.388 1.00 0.00 C ATOM 566 C ILE A 33 -6.044 8.598 3.532 1.00 0.00 C ATOM 567 O ILE A 33 -6.398 8.841 4.668 1.00 0.00 O ATOM 568 CB ILE A 33 -7.345 9.013 1.409 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.707 10.084 0.376 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.605 8.592 2.164 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.661 9.477 -1.027 1.00 0.00 C ATOM 0 H ILE A 33 -5.118 9.316 0.648 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.656 10.508 2.850 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.921 8.144 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.702 10.479 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.011 10.920 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.333 8.189 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.350 7.829 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.031 9.457 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.919 10.240 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.657 9.103 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.374 8.655 -1.091 1.00 0.00 H new ATOM 583 N GLU A 34 -5.419 7.488 3.240 1.00 0.00 N ATOM 584 CA GLU A 34 -5.130 6.493 4.312 1.00 0.00 C ATOM 585 C GLU A 34 -3.883 5.678 3.956 1.00 0.00 C ATOM 586 O GLU A 34 -3.419 5.694 2.834 1.00 0.00 O ATOM 587 CB GLU A 34 -6.364 5.592 4.354 1.00 0.00 C ATOM 588 CG GLU A 34 -6.789 5.374 5.807 1.00 0.00 C ATOM 589 CD GLU A 34 -8.016 6.234 6.116 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.954 7.428 5.875 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.997 5.684 6.588 1.00 0.00 O ATOM 0 H GLU A 34 -5.097 7.228 2.308 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.935 6.966 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.179 6.047 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.145 4.635 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.018 4.322 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.971 5.634 6.479 1.00 0.00 H new ATOM 598 N LYS A 35 -3.338 4.962 4.903 1.00 0.00 N ATOM 599 CA LYS A 35 -2.124 4.143 4.613 1.00 0.00 C ATOM 600 C LYS A 35 -2.505 2.663 4.500 1.00 0.00 C ATOM 601 O LYS A 35 -2.960 2.054 5.448 1.00 0.00 O ATOM 602 CB LYS A 35 -1.185 4.378 5.802 1.00 0.00 C ATOM 603 CG LYS A 35 -1.804 3.806 7.082 1.00 0.00 C ATOM 604 CD LYS A 35 -1.571 4.778 8.240 1.00 0.00 C ATOM 605 CE LYS A 35 -1.886 4.077 9.564 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.336 4.977 10.616 1.00 0.00 N ATOM 0 H LYS A 35 -3.679 4.908 5.863 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.651 4.421 3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.221 3.906 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.000 5.445 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.872 3.642 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.361 2.837 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.537 5.124 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.203 5.659 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.959 3.933 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.425 3.090 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.513 4.564 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.312 5.090 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.798 5.906 10.554 1.00 0.00 H new ATOM 620 N ILE A 36 -2.339 2.079 3.344 1.00 0.00 N ATOM 621 CA ILE A 36 -2.715 0.640 3.184 1.00 0.00 C ATOM 622 C ILE A 36 -1.487 -0.248 3.061 1.00 0.00 C ATOM 623 O ILE A 36 -1.498 -1.392 3.476 1.00 0.00 O ATOM 624 CB ILE A 36 -3.525 0.583 1.892 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.647 1.021 0.712 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.722 1.519 2.010 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.426 0.895 -0.591 1.00 0.00 C ATOM 0 H ILE A 36 -1.963 2.529 2.509 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.272 0.281 4.049 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.871 -0.437 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.322 2.052 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.748 0.406 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.305 1.482 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.346 1.207 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.372 2.538 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.796 1.208 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.729 -0.142 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.312 1.529 -0.548 1.00 0.00 H new ATOM 639 N GLY A 37 -0.447 0.239 2.459 1.00 0.00 N ATOM 640 CA GLY A 37 0.740 -0.622 2.277 1.00 0.00 C ATOM 641 C GLY A 37 2.013 0.006 2.827 1.00 0.00 C ATOM 642 O GLY A 37 2.098 1.189 3.089 1.00 0.00 O ATOM 0 H GLY A 37 -0.368 1.186 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.569 -1.578 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.872 -0.831 1.215 1.00 0.00 H new ATOM 646 N TYR A 38 3.023 -0.809 2.934 1.00 0.00 N ATOM 647 CA TYR A 38 4.361 -0.343 3.392 1.00 0.00 C ATOM 648 C TYR A 38 5.420 -1.073 2.558 1.00 0.00 C ATOM 649 O TYR A 38 5.480 -2.287 2.560 1.00 0.00 O ATOM 650 CB TYR A 38 4.462 -0.737 4.870 1.00 0.00 C ATOM 651 CG TYR A 38 5.881 -0.529 5.357 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.283 0.721 5.847 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.797 -1.589 5.312 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.596 0.909 6.293 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.111 -1.399 5.758 1.00 0.00 C ATOM 656 CZ TYR A 38 8.510 -0.149 6.249 1.00 0.00 C ATOM 657 OH TYR A 38 9.807 0.044 6.690 1.00 0.00 O ATOM 0 H TYR A 38 2.976 -1.805 2.717 1.00 0.00 H new ATOM 0 HA TYR A 38 4.507 0.731 3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.772 -0.138 5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.172 -1.780 4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.579 1.539 5.880 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.489 -2.553 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.904 1.872 6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.817 -2.216 5.723 1.00 0.00 H new ATOM 0 HH TYR A 38 10.313 -0.790 6.593 1.00 0.00 H new ATOM 667 N TYR A 39 6.259 -0.364 1.853 1.00 0.00 N ATOM 668 CA TYR A 39 7.298 -1.067 1.042 1.00 0.00 C ATOM 669 C TYR A 39 8.692 -0.735 1.585 1.00 0.00 C ATOM 670 O TYR A 39 8.977 0.393 1.938 1.00 0.00 O ATOM 671 CB TYR A 39 7.166 -0.559 -0.399 1.00 0.00 C ATOM 672 CG TYR A 39 8.296 -1.130 -1.234 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.570 -0.550 -1.180 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.074 -2.251 -2.043 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.620 -1.092 -1.935 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.124 -2.790 -2.799 1.00 0.00 C ATOM 677 CZ TYR A 39 10.396 -2.211 -2.744 1.00 0.00 C ATOM 678 OH TYR A 39 11.431 -2.744 -3.485 1.00 0.00 O ATOM 0 H TYR A 39 6.273 0.655 1.802 1.00 0.00 H new ATOM 0 HA TYR A 39 7.162 -2.148 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.204 -0.857 -0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.198 0.530 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.744 0.315 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.093 -2.701 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.602 -0.645 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.951 -3.653 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 39 11.107 -3.518 -3.990 1.00 0.00 H new ATOM 688 N ASP A 40 9.569 -1.696 1.635 1.00 0.00 N ATOM 689 CA ASP A 40 10.947 -1.418 2.132 1.00 0.00 C ATOM 690 C ASP A 40 11.970 -2.188 1.289 1.00 0.00 C ATOM 691 O ASP A 40 12.092 -3.388 1.415 1.00 0.00 O ATOM 692 CB ASP A 40 10.959 -1.917 3.578 1.00 0.00 C ATOM 693 CG ASP A 40 12.325 -1.637 4.210 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.235 -1.280 3.480 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.438 -1.788 5.415 1.00 0.00 O ATOM 0 H ASP A 40 9.394 -2.661 1.354 1.00 0.00 H new ATOM 0 HA ASP A 40 11.206 -0.361 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.175 -1.422 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.747 -2.986 3.606 1.00 0.00 H new ATOM 838 N LEU A 49 7.792 -6.532 2.193 1.00 0.00 N ATOM 839 CA LEU A 49 6.481 -5.991 1.728 1.00 0.00 C ATOM 840 C LEU A 49 5.427 -6.163 2.825 1.00 0.00 C ATOM 841 O LEU A 49 5.026 -7.264 3.146 1.00 0.00 O ATOM 842 CB LEU A 49 6.124 -6.843 0.507 1.00 0.00 C ATOM 843 CG LEU A 49 4.782 -6.394 -0.084 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.695 -6.850 -1.540 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.635 -7.024 0.709 1.00 0.00 C ATOM 0 HA LEU A 49 6.526 -4.928 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.907 -6.757 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.070 -7.894 0.792 1.00 0.00 H new ATOM 0 HG LEU A 49 4.708 -5.308 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.742 -6.533 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.512 -6.406 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.769 -7.937 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.682 -6.704 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.709 -8.110 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.696 -6.708 1.750 1.00 0.00 H new ATOM 857 N LYS A 50 4.968 -5.087 3.395 1.00 0.00 N ATOM 858 CA LYS A 50 3.933 -5.192 4.460 1.00 0.00 C ATOM 859 C LYS A 50 2.686 -4.419 4.034 1.00 0.00 C ATOM 860 O LYS A 50 2.587 -3.226 4.242 1.00 0.00 O ATOM 861 CB LYS A 50 4.566 -4.555 5.697 1.00 0.00 C ATOM 862 CG LYS A 50 5.795 -5.362 6.116 1.00 0.00 C ATOM 863 CD LYS A 50 5.371 -6.478 7.074 1.00 0.00 C ATOM 864 CE LYS A 50 6.176 -6.372 8.372 1.00 0.00 C ATOM 865 NZ LYS A 50 5.157 -6.407 9.458 1.00 0.00 N ATOM 0 H LYS A 50 5.265 -4.137 3.170 1.00 0.00 H new ATOM 0 HA LYS A 50 3.629 -6.221 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.850 -3.525 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.844 -4.523 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.281 -5.787 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.523 -4.711 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.305 -6.402 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.535 -7.451 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.883 -7.196 8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.756 -5.449 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.631 -6.339 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.502 -5.607 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.626 -7.300 9.407 1.00 0.00 H new ATOM 879 N VAL A 51 1.736 -5.078 3.425 1.00 0.00 N ATOM 880 CA VAL A 51 0.516 -4.351 2.984 1.00 0.00 C ATOM 881 C VAL A 51 -0.743 -4.966 3.591 1.00 0.00 C ATOM 882 O VAL A 51 -0.965 -6.159 3.522 1.00 0.00 O ATOM 883 CB VAL A 51 0.513 -4.463 1.435 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.903 -4.702 0.881 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.034 -3.162 0.837 1.00 0.00 C ATOM 0 H VAL A 51 1.753 -6.076 3.217 1.00 0.00 H new ATOM 0 HA VAL A 51 0.522 -3.311 3.311 1.00 0.00 H new ATOM 0 HB VAL A 51 1.145 -5.309 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.861 -4.774 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.302 -5.629 1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.550 -3.872 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.034 -3.236 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.392 -2.337 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.050 -2.981 1.188 1.00 0.00 H new ATOM 895 N ASP A 52 -1.600 -4.143 4.117 1.00 0.00 N ATOM 896 CA ASP A 52 -2.877 -4.664 4.648 1.00 0.00 C ATOM 897 C ASP A 52 -3.776 -4.902 3.439 1.00 0.00 C ATOM 898 O ASP A 52 -4.723 -4.177 3.213 1.00 0.00 O ATOM 899 CB ASP A 52 -3.434 -3.550 5.535 1.00 0.00 C ATOM 900 CG ASP A 52 -4.182 -4.164 6.719 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.079 -4.957 6.482 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.844 -3.834 7.845 1.00 0.00 O ATOM 0 H ASP A 52 -1.469 -3.135 4.201 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.788 -5.588 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.623 -2.916 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.105 -2.913 4.958 1.00 0.00 H new ATOM 907 N VAL A 53 -3.431 -5.888 2.635 1.00 0.00 N ATOM 908 CA VAL A 53 -4.203 -6.197 1.381 1.00 0.00 C ATOM 909 C VAL A 53 -5.702 -5.922 1.560 1.00 0.00 C ATOM 910 O VAL A 53 -6.371 -5.510 0.635 1.00 0.00 O ATOM 911 CB VAL A 53 -3.909 -7.686 1.060 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.875 -8.528 2.338 1.00 0.00 C ATOM 913 CG2 VAL A 53 -4.979 -8.250 0.118 1.00 0.00 C ATOM 0 H VAL A 53 -2.633 -6.502 2.799 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.898 -5.557 0.554 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.933 -7.733 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.667 -9.567 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.094 -8.153 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.839 -8.464 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.759 -9.295 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.957 -8.176 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.982 -7.680 -0.811 1.00 0.00 H new ATOM 923 N GLU A 54 -6.230 -6.112 2.735 1.00 0.00 N ATOM 924 CA GLU A 54 -7.671 -5.819 2.935 1.00 0.00 C ATOM 925 C GLU A 54 -7.918 -4.332 2.687 1.00 0.00 C ATOM 926 O GLU A 54 -8.767 -3.955 1.903 1.00 0.00 O ATOM 927 CB GLU A 54 -7.969 -6.194 4.386 1.00 0.00 C ATOM 928 CG GLU A 54 -9.308 -6.931 4.458 1.00 0.00 C ATOM 929 CD GLU A 54 -9.254 -7.980 5.572 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.248 -8.661 5.669 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.222 -8.083 6.308 1.00 0.00 O ATOM 0 H GLU A 54 -5.731 -6.454 3.556 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.314 -6.374 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.173 -6.825 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.001 -5.298 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.115 -6.223 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.523 -7.410 3.503 1.00 0.00 H new ATOM 938 N ARG A 55 -7.168 -3.485 3.331 1.00 0.00 N ATOM 939 CA ARG A 55 -7.341 -2.030 3.114 1.00 0.00 C ATOM 940 C ARG A 55 -6.726 -1.649 1.767 1.00 0.00 C ATOM 941 O ARG A 55 -7.233 -0.808 1.056 1.00 0.00 O ATOM 942 CB ARG A 55 -6.593 -1.369 4.267 1.00 0.00 C ATOM 943 CG ARG A 55 -7.573 -1.072 5.404 1.00 0.00 C ATOM 944 CD ARG A 55 -7.506 0.415 5.749 1.00 0.00 C ATOM 945 NE ARG A 55 -6.071 0.663 6.069 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.603 0.476 7.283 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.366 0.010 8.239 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.350 0.739 7.534 1.00 0.00 N ATOM 0 H ARG A 55 -6.441 -3.741 3.999 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.386 -1.720 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.796 -2.023 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.122 -0.447 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.586 -1.343 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.326 -1.672 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.838 1.031 4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.148 0.655 6.596 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.442 0.983 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.342 -0.215 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.984 -0.128 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.743 1.086 6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.977 0.597 8.473 1.00 0.00 H new ATOM 962 N ALA A 56 -5.658 -2.291 1.389 1.00 0.00 N ATOM 963 CA ALA A 56 -5.055 -1.987 0.074 1.00 0.00 C ATOM 964 C ALA A 56 -6.041 -2.450 -1.004 1.00 0.00 C ATOM 965 O ALA A 56 -6.054 -1.948 -2.115 1.00 0.00 O ATOM 966 CB ALA A 56 -3.734 -2.769 0.046 1.00 0.00 C ATOM 0 H ALA A 56 -5.182 -3.009 1.934 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.857 -0.930 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.227 -2.593 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.097 -2.436 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.939 -3.834 0.156 1.00 0.00 H new ATOM 972 N ARG A 57 -6.902 -3.386 -0.666 1.00 0.00 N ATOM 973 CA ARG A 57 -7.909 -3.856 -1.647 1.00 0.00 C ATOM 974 C ARG A 57 -9.148 -2.950 -1.601 1.00 0.00 C ATOM 975 O ARG A 57 -9.911 -2.880 -2.543 1.00 0.00 O ATOM 976 CB ARG A 57 -8.271 -5.278 -1.216 1.00 0.00 C ATOM 977 CG ARG A 57 -9.340 -5.837 -2.157 1.00 0.00 C ATOM 978 CD ARG A 57 -9.268 -7.366 -2.168 1.00 0.00 C ATOM 979 NE ARG A 57 -10.468 -7.797 -2.941 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.913 -9.029 -2.863 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.313 -9.915 -2.106 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.966 -9.377 -3.548 1.00 0.00 N ATOM 0 H ARG A 57 -6.942 -3.837 0.248 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.527 -3.832 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.385 -5.913 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.639 -5.276 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.329 -5.512 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.191 -5.449 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.348 -7.716 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.283 -7.770 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.950 -7.125 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.488 -9.651 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.671 -10.869 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.438 -8.693 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.318 -10.333 -3.492 1.00 0.00 H new ATOM 996 N TYR A 58 -9.333 -2.234 -0.520 1.00 0.00 N ATOM 997 CA TYR A 58 -10.495 -1.310 -0.411 1.00 0.00 C ATOM 998 C TYR A 58 -10.343 -0.269 -1.497 1.00 0.00 C ATOM 999 O TYR A 58 -11.248 0.048 -2.243 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.333 -0.670 0.980 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.945 0.724 1.046 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.152 0.993 0.393 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.297 1.744 1.764 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.717 2.273 0.456 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.864 3.024 1.825 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.073 3.288 1.172 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.631 4.549 1.232 1.00 0.00 O ATOM 0 H TYR A 58 -8.722 -2.253 0.296 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.469 -1.787 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.803 -1.307 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.274 -0.612 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.650 0.211 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.363 1.541 2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.650 2.477 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.367 3.808 2.377 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.957 5.217 0.987 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.175 0.259 -1.550 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.861 1.302 -2.539 1.00 0.00 C ATOM 1019 C TRP A 59 -8.989 0.737 -3.933 1.00 0.00 C ATOM 1020 O TRP A 59 -9.757 1.216 -4.740 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.445 1.707 -2.182 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.567 2.438 -0.902 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.115 2.034 0.302 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.265 3.673 -0.688 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.474 2.983 1.249 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.191 4.017 0.676 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.938 4.523 -1.563 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.781 5.185 1.161 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.535 5.695 -1.088 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.457 6.027 0.271 1.00 0.00 C ATOM 0 H TRP A 59 -8.402 0.007 -0.935 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.531 2.162 -2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.799 0.835 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.008 2.337 -2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.566 1.125 0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.239 2.925 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.999 4.276 -2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.717 5.436 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.058 6.347 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.919 6.934 0.632 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.288 -0.314 -4.214 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.427 -0.939 -5.554 1.00 0.00 C ATOM 1043 C LEU A 60 -9.916 -1.229 -5.805 1.00 0.00 C ATOM 1044 O LEU A 60 -10.356 -1.350 -6.931 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.615 -2.233 -5.488 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.134 -1.891 -5.332 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.352 -3.156 -4.977 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.607 -1.316 -6.648 1.00 0.00 C ATOM 0 H LEU A 60 -7.628 -0.768 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.071 -0.303 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.950 -2.844 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.771 -2.821 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.011 -1.156 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.296 -2.912 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.730 -3.567 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.472 -3.893 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.550 -1.071 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.730 -2.053 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.165 -0.414 -6.900 1.00 0.00 H new ATOM 1060 N SER A 61 -10.696 -1.323 -4.749 1.00 0.00 N ATOM 1061 CA SER A 61 -12.149 -1.584 -4.914 1.00 0.00 C ATOM 1062 C SER A 61 -12.900 -0.283 -5.230 1.00 0.00 C ATOM 1063 O SER A 61 -13.998 -0.309 -5.752 1.00 0.00 O ATOM 1064 CB SER A 61 -12.609 -2.151 -3.571 1.00 0.00 C ATOM 1065 OG SER A 61 -12.802 -3.554 -3.696 1.00 0.00 O ATOM 0 H SER A 61 -10.380 -1.229 -3.784 1.00 0.00 H new ATOM 0 HA SER A 61 -12.347 -2.270 -5.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.867 -1.941 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.536 -1.671 -3.259 1.00 0.00 H new ATOM 0 HG SER A 61 -13.095 -3.922 -2.836 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.327 0.858 -4.926 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.030 2.131 -5.224 1.00 0.00 C ATOM 1073 C VAL A 62 -12.486 2.722 -6.527 1.00 0.00 C ATOM 1074 O VAL A 62 -12.421 3.921 -6.706 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.754 3.073 -4.033 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.001 2.354 -2.704 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.305 3.580 -4.063 1.00 0.00 C ATOM 0 H VAL A 62 -11.411 0.955 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.102 1.983 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.435 3.919 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.800 3.037 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.038 2.023 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.340 1.490 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.134 4.242 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.622 2.733 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.130 4.126 -4.990 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.095 1.875 -7.430 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.549 2.360 -8.726 1.00 0.00 C ATOM 1089 C GLY A 63 -10.170 2.985 -8.499 1.00 0.00 C ATOM 1090 O GLY A 63 -9.743 3.851 -9.238 1.00 0.00 O ATOM 0 H GLY A 63 -12.129 0.861 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.473 1.534 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.225 3.094 -9.165 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.468 2.557 -7.483 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.121 3.129 -7.216 1.00 0.00 C ATOM 1096 C ALA A 64 -7.080 2.453 -8.108 1.00 0.00 C ATOM 1097 O ALA A 64 -6.857 1.261 -8.025 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.841 2.830 -5.744 1.00 0.00 C ATOM 0 H ALA A 64 -9.771 1.836 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.078 4.198 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.861 3.223 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.605 3.301 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.857 1.752 -5.582 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.446 3.202 -8.963 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.425 2.597 -9.864 1.00 0.00 C ATOM 1106 C GLN A 65 -4.028 2.666 -9.223 1.00 0.00 C ATOM 1107 O GLN A 65 -3.592 3.721 -8.811 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.470 3.441 -11.141 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.230 4.914 -10.803 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.457 5.737 -11.197 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.178 5.375 -12.105 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.728 6.836 -10.548 1.00 0.00 N ATOM 0 H GLN A 65 -6.589 4.205 -9.078 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.628 1.544 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.713 3.093 -11.844 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.437 3.324 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.032 5.025 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.349 5.280 -11.331 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.123 7.140 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.545 7.391 -10.803 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.362 1.538 -9.163 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.003 1.497 -8.579 1.00 0.00 C ATOM 1123 C PRO A 66 -0.972 1.902 -9.638 1.00 0.00 C ATOM 1124 O PRO A 66 -1.267 1.937 -10.817 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.827 0.034 -8.194 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.736 -0.733 -9.107 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.800 0.211 -9.614 1.00 0.00 C ATOM 0 HA PRO A 66 -1.871 2.174 -7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.791 -0.282 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.090 -0.131 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.172 -1.153 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.191 -1.569 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.883 0.169 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.780 -0.042 -9.209 1.00 0.00 H new ATOM 1135 N THR A 67 0.233 2.203 -9.238 1.00 0.00 N ATOM 1136 CA THR A 67 1.271 2.599 -10.238 1.00 0.00 C ATOM 1137 C THR A 67 1.948 1.353 -10.821 1.00 0.00 C ATOM 1138 O THR A 67 1.570 0.235 -10.525 1.00 0.00 O ATOM 1139 CB THR A 67 2.278 3.441 -9.454 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.458 2.878 -8.161 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.760 4.874 -9.323 1.00 0.00 C ATOM 0 H THR A 67 0.545 2.193 -8.267 1.00 0.00 H new ATOM 0 HA THR A 67 0.846 3.150 -11.077 1.00 0.00 H new ATOM 0 HB THR A 67 3.231 3.452 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.105 3.415 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.480 5.471 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.625 5.304 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.806 4.869 -8.796 1.00 0.00 H new ATOM 1149 N ASP A 68 2.954 1.535 -11.640 1.00 0.00 N ATOM 1150 CA ASP A 68 3.661 0.359 -12.239 1.00 0.00 C ATOM 1151 C ASP A 68 4.721 -0.181 -11.272 1.00 0.00 C ATOM 1152 O ASP A 68 5.845 -0.449 -11.648 1.00 0.00 O ATOM 1153 CB ASP A 68 4.320 0.898 -13.509 1.00 0.00 C ATOM 1154 CG ASP A 68 3.380 0.697 -14.699 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.238 1.117 -14.603 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.817 0.125 -15.683 1.00 0.00 O ATOM 0 H ASP A 68 3.317 2.446 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 68 2.979 -0.465 -12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.551 1.957 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.264 0.384 -13.687 1.00 0.00 H new ATOM 1161 N THR A 69 4.364 -0.346 -10.029 1.00 0.00 N ATOM 1162 CA THR A 69 5.317 -0.870 -9.011 1.00 0.00 C ATOM 1163 C THR A 69 4.515 -1.276 -7.782 1.00 0.00 C ATOM 1164 O THR A 69 4.555 -2.407 -7.339 1.00 0.00 O ATOM 1165 CB THR A 69 6.232 0.292 -8.664 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.630 0.972 -9.846 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.468 -0.225 -7.925 1.00 0.00 C ATOM 0 H THR A 69 3.433 -0.135 -9.669 1.00 0.00 H new ATOM 0 HA THR A 69 5.887 -1.728 -9.367 1.00 0.00 H new ATOM 0 HB THR A 69 5.691 0.987 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.831 0.318 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.121 0.612 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.160 -0.727 -7.008 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.005 -0.929 -8.561 1.00 0.00 H new ATOM 1175 N ALA A 70 3.756 -0.356 -7.252 1.00 0.00 N ATOM 1176 CA ALA A 70 2.912 -0.672 -6.082 1.00 0.00 C ATOM 1177 C ALA A 70 1.831 -1.640 -6.537 1.00 0.00 C ATOM 1178 O ALA A 70 1.327 -2.435 -5.769 1.00 0.00 O ATOM 1179 CB ALA A 70 2.300 0.660 -5.647 1.00 0.00 C ATOM 0 H ALA A 70 3.689 0.605 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 70 3.462 -1.129 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.659 0.500 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.096 1.358 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.708 1.073 -6.464 1.00 0.00 H new ATOM 1185 N ARG A 71 1.493 -1.601 -7.801 1.00 0.00 N ATOM 1186 CA ARG A 71 0.480 -2.538 -8.308 1.00 0.00 C ATOM 1187 C ARG A 71 1.056 -3.932 -8.178 1.00 0.00 C ATOM 1188 O ARG A 71 0.386 -4.868 -7.787 1.00 0.00 O ATOM 1189 CB ARG A 71 0.277 -2.178 -9.781 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.783 -3.099 -10.389 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.024 -2.708 -11.849 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.783 -3.854 -12.430 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.337 -3.762 -13.616 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.245 -2.661 -14.319 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.989 -4.783 -14.101 1.00 0.00 N ATOM 0 H ARG A 71 1.881 -0.958 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.467 -2.489 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.034 -1.137 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.217 -2.279 -10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.456 -4.137 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.712 -3.025 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.591 -1.780 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.083 -2.548 -12.376 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.872 -4.720 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.737 -1.859 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.681 -2.606 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.065 -5.644 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.423 -4.720 -15.022 1.00 0.00 H new ATOM 1209 N ARG A 72 2.317 -4.069 -8.481 1.00 0.00 N ATOM 1210 CA ARG A 72 2.949 -5.397 -8.356 1.00 0.00 C ATOM 1211 C ARG A 72 2.984 -5.790 -6.883 1.00 0.00 C ATOM 1212 O ARG A 72 2.748 -6.926 -6.523 1.00 0.00 O ATOM 1213 CB ARG A 72 4.359 -5.236 -8.928 1.00 0.00 C ATOM 1214 CG ARG A 72 4.464 -6.018 -10.240 1.00 0.00 C ATOM 1215 CD ARG A 72 5.564 -5.414 -11.116 1.00 0.00 C ATOM 1216 NE ARG A 72 6.180 -6.580 -11.814 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.980 -7.400 -11.172 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.262 -7.214 -9.907 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.499 -8.418 -11.804 1.00 0.00 N ATOM 0 H ARG A 72 2.928 -3.320 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 72 2.408 -6.180 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.576 -4.182 -9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.098 -5.600 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.685 -7.065 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.510 -5.991 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.154 -4.698 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.299 -4.879 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 72 5.978 -6.742 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.858 -6.423 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.885 -7.860 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.282 -8.571 -12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.121 -9.060 -11.313 1.00 0.00 H new ATOM 1233 N LEU A 73 3.258 -4.847 -6.022 1.00 0.00 N ATOM 1234 CA LEU A 73 3.286 -5.148 -4.576 1.00 0.00 C ATOM 1235 C LEU A 73 1.867 -5.400 -4.089 1.00 0.00 C ATOM 1236 O LEU A 73 1.646 -6.161 -3.172 1.00 0.00 O ATOM 1237 CB LEU A 73 3.893 -3.914 -3.911 1.00 0.00 C ATOM 1238 CG LEU A 73 5.288 -3.676 -4.487 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.771 -2.274 -4.111 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.255 -4.713 -3.918 1.00 0.00 C ATOM 0 H LEU A 73 3.464 -3.878 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 73 3.869 -6.038 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.260 -3.043 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.950 -4.057 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 73 5.249 -3.765 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.766 -2.109 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.083 -1.532 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.809 -2.181 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.251 -4.545 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.289 -4.622 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.916 -5.713 -4.187 1.00 0.00 H new ATOM 1252 N LEU A 74 0.894 -4.806 -4.725 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.504 -5.074 -4.317 1.00 0.00 C ATOM 1254 C LEU A 74 -0.826 -6.500 -4.747 1.00 0.00 C ATOM 1255 O LEU A 74 -1.595 -7.201 -4.125 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.361 -4.062 -5.078 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.256 -2.697 -4.399 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.880 -1.629 -5.296 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.995 -2.735 -3.061 1.00 0.00 C ATOM 0 H LEU A 74 1.009 -4.154 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.679 -4.980 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.028 -3.992 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.400 -4.391 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.206 -2.458 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.804 -0.656 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.352 -1.601 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.929 -1.867 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.920 -1.762 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.044 -2.976 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.548 -3.495 -2.420 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.191 -6.939 -5.801 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.395 -8.319 -6.286 1.00 0.00 C ATOM 1273 C ARG A 75 0.449 -9.258 -5.430 1.00 0.00 C ATOM 1274 O ARG A 75 0.129 -10.416 -5.245 1.00 0.00 O ATOM 1275 CB ARG A 75 0.110 -8.301 -7.729 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.508 -9.461 -8.511 1.00 0.00 C ATOM 1277 CD ARG A 75 0.173 -10.769 -8.105 1.00 0.00 C ATOM 1278 NE ARG A 75 0.465 -11.466 -9.391 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.256 -12.513 -9.425 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.805 -12.978 -8.330 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.497 -13.100 -10.565 1.00 0.00 N ATOM 0 H ARG A 75 0.468 -6.386 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.431 -8.654 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.148 -7.354 -8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.197 -8.379 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.578 -9.519 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.391 -9.295 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.087 -10.580 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.475 -11.371 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 75 0.045 -11.125 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.620 -12.525 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.417 -13.793 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.072 -12.745 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.111 -13.914 -10.600 1.00 0.00 H new ATOM 1295 N GLN A 76 1.534 -8.753 -4.906 1.00 0.00 N ATOM 1296 CA GLN A 76 2.417 -9.579 -4.061 1.00 0.00 C ATOM 1297 C GLN A 76 1.900 -9.602 -2.631 1.00 0.00 C ATOM 1298 O GLN A 76 2.017 -10.584 -1.925 1.00 0.00 O ATOM 1299 CB GLN A 76 3.769 -8.889 -4.170 1.00 0.00 C ATOM 1300 CG GLN A 76 4.888 -9.922 -4.051 1.00 0.00 C ATOM 1301 CD GLN A 76 5.526 -10.136 -5.424 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.788 -11.256 -5.817 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.790 -9.103 -6.178 1.00 0.00 N ATOM 0 H GLN A 76 1.842 -7.789 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 76 2.469 -10.623 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.845 -8.366 -5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.869 -8.139 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.638 -9.582 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.491 -10.863 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.571 -8.163 -5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.215 -9.237 -7.095 1.00 0.00 H new ATOM 1312 N ALA A 77 1.302 -8.536 -2.217 1.00 0.00 N ATOM 1313 CA ALA A 77 0.735 -8.483 -0.848 1.00 0.00 C ATOM 1314 C ALA A 77 -0.433 -9.472 -0.730 1.00 0.00 C ATOM 1315 O ALA A 77 -0.907 -9.758 0.351 1.00 0.00 O ATOM 1316 CB ALA A 77 0.244 -7.046 -0.674 1.00 0.00 C ATOM 0 H ALA A 77 1.178 -7.688 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 77 1.464 -8.754 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.191 -6.928 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.082 -6.359 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.511 -6.825 -1.429 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.893 -10.009 -1.835 1.00 0.00 N ATOM 1323 CA GLY A 78 -2.016 -10.988 -1.773 1.00 0.00 C ATOM 1324 C GLY A 78 -3.348 -10.315 -2.129 1.00 0.00 C ATOM 1325 O GLY A 78 -4.404 -10.858 -1.867 1.00 0.00 O ATOM 0 H GLY A 78 -0.539 -9.811 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.825 -11.811 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.076 -11.416 -0.772 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.325 -9.149 -2.721 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.613 -8.483 -3.074 1.00 0.00 C ATOM 1331 C VAL A 79 -5.228 -9.146 -4.310 1.00 0.00 C ATOM 1332 O VAL A 79 -6.363 -9.578 -4.293 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.277 -7.023 -3.358 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.574 -6.225 -3.497 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.450 -6.440 -2.206 1.00 0.00 C ATOM 0 H VAL A 79 -2.481 -8.635 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.340 -8.567 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.700 -6.963 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.338 -5.180 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.164 -6.630 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.145 -6.295 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.215 -5.397 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.022 -6.502 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.525 -7.006 -2.100 1.00 0.00 H new