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 130:sc= -2.26 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -140:sc= -2.04! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -145:sc= 0.649 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= -0.366 K(o=-0.37,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -4.24! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.497 8.669 -6.893 1.00 0.00 N ATOM 21 CA VAL A 2 -7.948 7.699 -5.900 1.00 0.00 C ATOM 22 C VAL A 2 -6.912 6.789 -6.565 1.00 0.00 C ATOM 23 O VAL A 2 -7.223 6.029 -7.458 1.00 0.00 O ATOM 24 CB VAL A 2 -9.154 6.881 -5.432 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.723 5.932 -4.312 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.239 7.825 -4.908 1.00 0.00 C ATOM 0 HA VAL A 2 -7.448 8.199 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.547 6.303 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.582 5.349 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.950 5.259 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.330 6.511 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.098 7.243 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.846 8.403 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.547 8.503 -5.704 1.00 0.00 H new ATOM 36 N LYS A 3 -5.680 6.863 -6.141 1.00 0.00 N ATOM 37 CA LYS A 3 -4.630 5.997 -6.752 1.00 0.00 C ATOM 38 C LYS A 3 -3.664 5.490 -5.674 1.00 0.00 C ATOM 39 O LYS A 3 -3.204 6.246 -4.842 1.00 0.00 O ATOM 40 CB LYS A 3 -3.895 6.905 -7.742 1.00 0.00 C ATOM 41 CG LYS A 3 -4.732 7.060 -9.014 1.00 0.00 C ATOM 42 CD LYS A 3 -4.056 8.063 -9.950 1.00 0.00 C ATOM 43 CE LYS A 3 -2.744 7.470 -10.471 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.183 8.514 -11.373 1.00 0.00 N ATOM 0 H LYS A 3 -5.355 7.484 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.053 5.118 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.715 7.881 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.920 6.482 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.838 6.096 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.736 7.401 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.716 8.301 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.861 8.996 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.060 7.245 -9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.917 6.537 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.281 8.181 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.853 8.702 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.022 9.389 -10.834 1.00 0.00 H new ATOM 58 N ILE A 4 -3.330 4.226 -5.689 1.00 0.00 N ATOM 59 CA ILE A 4 -2.373 3.707 -4.677 1.00 0.00 C ATOM 60 C ILE A 4 -0.985 3.608 -5.312 1.00 0.00 C ATOM 61 O ILE A 4 -0.828 3.132 -6.416 1.00 0.00 O ATOM 62 CB ILE A 4 -2.904 2.334 -4.247 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.121 2.525 -3.342 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.823 1.566 -3.477 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.669 1.159 -2.931 1.00 0.00 C ATOM 0 H ILE A 4 -3.678 3.537 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.285 4.358 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.182 1.767 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.844 3.099 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.890 3.095 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.212 0.593 -3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.951 1.427 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.537 2.131 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.537 1.294 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.962 0.602 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.900 0.605 -2.393 1.00 0.00 H new ATOM 77 N ARG A 5 0.023 4.067 -4.631 1.00 0.00 N ATOM 78 CA ARG A 5 1.390 4.012 -5.203 1.00 0.00 C ATOM 79 C ARG A 5 2.417 3.887 -4.084 1.00 0.00 C ATOM 80 O ARG A 5 2.087 3.985 -2.919 1.00 0.00 O ATOM 81 CB ARG A 5 1.565 5.337 -5.951 1.00 0.00 C ATOM 82 CG ARG A 5 1.288 6.505 -5.001 1.00 0.00 C ATOM 83 CD ARG A 5 2.280 7.639 -5.276 1.00 0.00 C ATOM 84 NE ARG A 5 2.202 8.517 -4.073 1.00 0.00 N ATOM 85 CZ ARG A 5 3.065 9.489 -3.890 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.019 9.717 -4.759 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.970 10.242 -2.828 1.00 0.00 N ATOM 0 H ARG A 5 -0.042 4.479 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 5 1.530 3.156 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.577 5.411 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.885 5.378 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.267 6.861 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.377 6.174 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.290 7.254 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.015 8.185 -6.181 1.00 0.00 H new ATOM 0 HE ARG A 5 1.468 8.360 -3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.099 9.135 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.681 10.476 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.229 10.073 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.637 10.999 -2.678 1.00 0.00 H new ATOM 101 N LEU A 6 3.660 3.686 -4.418 1.00 0.00 N ATOM 102 CA LEU A 6 4.691 3.572 -3.352 1.00 0.00 C ATOM 103 C LEU A 6 5.248 4.960 -3.029 1.00 0.00 C ATOM 104 O LEU A 6 5.609 5.723 -3.903 1.00 0.00 O ATOM 105 CB LEU A 6 5.781 2.648 -3.909 1.00 0.00 C ATOM 106 CG LEU A 6 6.429 3.275 -5.141 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.747 3.950 -4.746 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.711 2.181 -6.173 1.00 0.00 C ATOM 0 H LEU A 6 4.004 3.596 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 6 4.284 3.166 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.537 2.465 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.350 1.681 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 6 5.755 4.020 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.206 4.396 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.551 4.727 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.423 3.208 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.174 2.623 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.385 1.440 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.776 1.699 -6.457 1.00 0.00 H new ATOM 120 N ALA A 7 5.300 5.291 -1.771 1.00 0.00 N ATOM 121 CA ALA A 7 5.808 6.622 -1.347 1.00 0.00 C ATOM 122 C ALA A 7 7.259 6.486 -0.900 1.00 0.00 C ATOM 123 O ALA A 7 7.716 5.403 -0.625 1.00 0.00 O ATOM 124 CB ALA A 7 4.919 6.986 -0.163 1.00 0.00 C ATOM 0 H ALA A 7 5.006 4.684 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 7 5.781 7.373 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.214 7.960 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.879 7.025 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.028 6.234 0.618 1.00 0.00 H new ATOM 130 N ARG A 8 7.993 7.562 -0.826 1.00 0.00 N ATOM 131 CA ARG A 8 9.413 7.448 -0.402 1.00 0.00 C ATOM 132 C ARG A 8 9.732 8.409 0.746 1.00 0.00 C ATOM 133 O ARG A 8 9.719 9.613 0.586 1.00 0.00 O ATOM 134 CB ARG A 8 10.233 7.809 -1.641 1.00 0.00 C ATOM 135 CG ARG A 8 11.724 7.660 -1.325 1.00 0.00 C ATOM 136 CD ARG A 8 12.543 7.820 -2.608 1.00 0.00 C ATOM 137 NE ARG A 8 13.958 7.629 -2.177 1.00 0.00 N ATOM 138 CZ ARG A 8 14.952 8.020 -2.938 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.731 8.583 -4.100 1.00 0.00 N ATOM 140 NH2 ARG A 8 16.179 7.847 -2.530 1.00 0.00 N ATOM 0 H ARG A 8 7.673 8.507 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 8 9.637 6.447 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.960 7.160 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.016 8.832 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.027 8.409 -0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.915 6.684 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.254 7.083 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.394 8.803 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 8 14.155 7.188 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.774 8.723 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.516 8.881 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.359 7.411 -1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.958 8.148 -3.115 1.00 0.00 H new ATOM 276 N TYR A 17 9.492 2.813 1.903 1.00 0.00 N ATOM 277 CA TYR A 17 8.393 3.439 1.130 1.00 0.00 C ATOM 278 C TYR A 17 7.063 2.898 1.637 1.00 0.00 C ATOM 279 O TYR A 17 7.030 1.919 2.351 1.00 0.00 O ATOM 280 CB TYR A 17 8.589 2.937 -0.296 1.00 0.00 C ATOM 281 CG TYR A 17 9.804 3.540 -0.956 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.085 3.275 -0.459 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.648 4.335 -2.098 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.206 3.814 -1.099 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.767 4.869 -2.741 1.00 0.00 C ATOM 286 CZ TYR A 17 12.049 4.609 -2.240 1.00 0.00 C ATOM 287 OH TYR A 17 13.156 5.134 -2.873 1.00 0.00 O ATOM 0 HA TYR A 17 8.396 4.526 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.686 1.851 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.704 3.173 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.208 2.655 0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.659 4.536 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.195 3.616 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.644 5.481 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 17 13.107 4.940 -3.832 1.00 0.00 H new ATOM 297 N ARG A 18 5.965 3.486 1.252 1.00 0.00 N ATOM 298 CA ARG A 18 4.664 2.940 1.686 1.00 0.00 C ATOM 299 C ARG A 18 3.763 2.841 0.470 1.00 0.00 C ATOM 300 O ARG A 18 3.815 3.666 -0.414 1.00 0.00 O ATOM 301 CB ARG A 18 4.096 3.924 2.709 1.00 0.00 C ATOM 302 CG ARG A 18 3.732 3.174 3.991 1.00 0.00 C ATOM 303 CD ARG A 18 4.189 3.985 5.205 1.00 0.00 C ATOM 304 NE ARG A 18 3.216 5.110 5.314 1.00 0.00 N ATOM 305 CZ ARG A 18 3.469 6.146 6.079 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.585 6.223 6.762 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.598 7.114 6.161 1.00 0.00 N ATOM 0 H ARG A 18 5.919 4.315 0.660 1.00 0.00 H new ATOM 0 HA ARG A 18 4.752 1.949 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.828 4.702 2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.214 4.419 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.655 3.009 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.205 2.192 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.188 3.375 6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.205 4.355 5.071 1.00 0.00 H new ATOM 0 HE ARG A 18 2.343 5.074 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.272 5.471 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.767 7.035 7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.727 7.063 5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.788 7.922 6.754 1.00 0.00 H new ATOM 321 N ILE A 19 2.906 1.875 0.428 1.00 0.00 N ATOM 322 CA ILE A 19 1.988 1.777 -0.720 1.00 0.00 C ATOM 323 C ILE A 19 0.738 2.435 -0.193 1.00 0.00 C ATOM 324 O ILE A 19 -0.142 1.827 0.385 1.00 0.00 O ATOM 325 CB ILE A 19 1.805 0.287 -1.051 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.990 -0.557 -0.522 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.737 0.131 -2.573 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.889 -1.998 -1.033 1.00 0.00 C ATOM 0 H ILE A 19 2.802 1.150 1.138 1.00 0.00 H new ATOM 0 HA ILE A 19 2.317 2.249 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 19 0.889 -0.064 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.933 -0.115 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.992 -0.550 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.607 -0.921 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.894 0.704 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.661 0.500 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.729 -2.579 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.955 -2.442 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.911 -2.000 -2.123 1.00 0.00 H new ATOM 340 N VAL A 20 0.760 3.728 -0.287 1.00 0.00 N ATOM 341 CA VAL A 20 -0.290 4.572 0.301 1.00 0.00 C ATOM 342 C VAL A 20 -1.338 4.971 -0.747 1.00 0.00 C ATOM 343 O VAL A 20 -1.165 4.757 -1.930 1.00 0.00 O ATOM 344 CB VAL A 20 0.560 5.750 0.846 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.451 7.003 -0.023 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.150 6.073 2.276 1.00 0.00 C ATOM 0 H VAL A 20 1.494 4.248 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.901 4.103 1.072 1.00 0.00 H new ATOM 0 HB VAL A 20 1.602 5.430 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.065 7.796 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.798 6.778 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.588 7.330 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.753 6.901 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.903 6.352 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.307 5.197 2.906 1.00 0.00 H new ATOM 356 N VAL A 21 -2.449 5.495 -0.304 1.00 0.00 N ATOM 357 CA VAL A 21 -3.541 5.847 -1.253 1.00 0.00 C ATOM 358 C VAL A 21 -3.741 7.365 -1.321 1.00 0.00 C ATOM 359 O VAL A 21 -4.293 7.970 -0.424 1.00 0.00 O ATOM 360 CB VAL A 21 -4.816 5.168 -0.703 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.622 4.603 -1.870 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.490 4.013 0.257 1.00 0.00 C ATOM 0 H VAL A 21 -2.647 5.694 0.677 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.305 5.512 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.379 5.923 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.524 4.122 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.899 5.412 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.019 3.871 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.417 3.567 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.904 3.258 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.918 4.394 1.103 1.00 0.00 H new ATOM 372 N THR A 22 -3.308 7.982 -2.386 1.00 0.00 N ATOM 373 CA THR A 22 -3.483 9.459 -2.519 1.00 0.00 C ATOM 374 C THR A 22 -3.992 9.802 -3.922 1.00 0.00 C ATOM 375 O THR A 22 -4.361 8.935 -4.689 1.00 0.00 O ATOM 376 CB THR A 22 -2.094 10.064 -2.292 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.121 11.442 -2.635 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.056 9.344 -3.159 1.00 0.00 C ATOM 0 H THR A 22 -2.840 7.528 -3.171 1.00 0.00 H new ATOM 0 HA THR A 22 -4.210 9.848 -1.806 1.00 0.00 H new ATOM 0 HB THR A 22 -1.821 9.948 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.234 11.833 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.073 9.783 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.032 8.287 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.324 9.450 -4.210 1.00 0.00 H new ATOM 543 N TYR A 32 -1.800 11.476 1.639 1.00 0.00 N ATOM 544 CA TYR A 32 -2.728 10.436 1.099 1.00 0.00 C ATOM 545 C TYR A 32 -3.963 10.300 1.992 1.00 0.00 C ATOM 546 O TYR A 32 -3.951 10.668 3.150 1.00 0.00 O ATOM 547 CB TYR A 32 -1.931 9.127 1.109 1.00 0.00 C ATOM 548 CG TYR A 32 -1.318 8.908 2.474 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.063 8.283 3.480 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.009 9.331 2.732 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.499 8.079 4.745 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.556 9.128 3.997 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.190 8.501 5.004 1.00 0.00 C ATOM 554 OH TYR A 32 0.367 8.300 6.250 1.00 0.00 O ATOM 0 HA TYR A 32 -3.078 10.696 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.584 8.292 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.149 9.162 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.073 7.958 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.565 9.814 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.074 7.596 5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.566 9.454 4.196 1.00 0.00 H new ATOM 0 HH TYR A 32 0.894 9.086 6.503 1.00 0.00 H new ATOM 564 N ILE A 33 -5.024 9.758 1.460 1.00 0.00 N ATOM 565 CA ILE A 33 -6.262 9.577 2.272 1.00 0.00 C ATOM 566 C ILE A 33 -5.975 8.630 3.438 1.00 0.00 C ATOM 567 O ILE A 33 -6.340 8.884 4.568 1.00 0.00 O ATOM 568 CB ILE A 33 -7.270 8.956 1.302 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.664 9.992 0.248 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.519 8.504 2.061 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.980 9.655 -1.076 1.00 0.00 C ATOM 0 H ILE A 33 -5.088 9.432 0.496 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.632 10.508 2.700 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.814 8.092 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.746 10.002 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.373 10.990 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.230 8.064 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.241 7.763 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.977 9.363 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.260 10.393 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.899 9.667 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.293 8.664 -1.405 1.00 0.00 H new ATOM 583 N GLU A 34 -5.319 7.538 3.166 1.00 0.00 N ATOM 584 CA GLU A 34 -4.999 6.567 4.247 1.00 0.00 C ATOM 585 C GLU A 34 -3.809 5.704 3.826 1.00 0.00 C ATOM 586 O GLU A 34 -3.368 5.749 2.695 1.00 0.00 O ATOM 587 CB GLU A 34 -6.257 5.709 4.396 1.00 0.00 C ATOM 588 CG GLU A 34 -6.826 5.866 5.808 1.00 0.00 C ATOM 589 CD GLU A 34 -6.862 4.503 6.500 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.817 3.881 6.593 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.934 4.102 6.923 1.00 0.00 O ATOM 0 H GLU A 34 -4.989 7.275 2.237 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.731 7.056 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.002 6.008 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.020 4.663 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.214 6.561 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.830 6.288 5.762 1.00 0.00 H new ATOM 598 N LYS A 35 -3.291 4.914 4.720 1.00 0.00 N ATOM 599 CA LYS A 35 -2.136 4.044 4.358 1.00 0.00 C ATOM 600 C LYS A 35 -2.568 2.580 4.384 1.00 0.00 C ATOM 601 O LYS A 35 -3.086 2.095 5.371 1.00 0.00 O ATOM 602 CB LYS A 35 -1.065 4.323 5.419 1.00 0.00 C ATOM 603 CG LYS A 35 -1.537 3.833 6.793 1.00 0.00 C ATOM 604 CD LYS A 35 -0.567 4.324 7.868 1.00 0.00 C ATOM 605 CE LYS A 35 -0.536 5.855 7.869 1.00 0.00 C ATOM 606 NZ LYS A 35 0.207 6.225 9.106 1.00 0.00 N ATOM 0 H LYS A 35 -3.614 4.831 5.684 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.758 4.247 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.135 3.824 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.853 5.391 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.542 4.203 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.590 2.744 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.875 3.956 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.431 3.930 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.038 6.240 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.544 6.270 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.270 7.261 9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.294 5.851 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.165 5.822 9.069 1.00 0.00 H new ATOM 620 N ILE A 36 -2.370 1.867 3.309 1.00 0.00 N ATOM 621 CA ILE A 36 -2.789 0.435 3.296 1.00 0.00 C ATOM 622 C ILE A 36 -1.606 -0.478 3.028 1.00 0.00 C ATOM 623 O ILE A 36 -1.591 -1.618 3.452 1.00 0.00 O ATOM 624 CB ILE A 36 -3.849 0.322 2.196 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.270 0.728 0.831 1.00 0.00 C ATOM 626 CG2 ILE A 36 -5.015 1.248 2.541 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.446 -0.420 0.248 1.00 0.00 C ATOM 0 H ILE A 36 -1.942 2.208 2.448 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.190 0.125 4.261 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.184 -0.713 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.078 0.990 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.646 1.615 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.778 1.177 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.443 0.953 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.657 2.276 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.040 -0.122 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.628 -0.661 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.082 -1.296 0.120 1.00 0.00 H new ATOM 639 N GLY A 37 -0.618 -0.007 2.332 1.00 0.00 N ATOM 640 CA GLY A 37 0.540 -0.878 2.056 1.00 0.00 C ATOM 641 C GLY A 37 1.817 -0.292 2.640 1.00 0.00 C ATOM 642 O GLY A 37 1.932 0.896 2.866 1.00 0.00 O ATOM 0 H GLY A 37 -0.564 0.936 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.364 -1.867 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.654 -1.007 0.980 1.00 0.00 H new ATOM 646 N TYR A 38 2.790 -1.128 2.842 1.00 0.00 N ATOM 647 CA TYR A 38 4.100 -0.657 3.363 1.00 0.00 C ATOM 648 C TYR A 38 5.205 -1.270 2.504 1.00 0.00 C ATOM 649 O TYR A 38 5.185 -2.452 2.219 1.00 0.00 O ATOM 650 CB TYR A 38 4.189 -1.167 4.802 1.00 0.00 C ATOM 651 CG TYR A 38 5.518 -0.754 5.393 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.642 0.482 6.041 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.628 -1.602 5.288 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.874 0.867 6.585 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.859 -1.216 5.833 1.00 0.00 C ATOM 656 CZ TYR A 38 7.982 0.018 6.482 1.00 0.00 C ATOM 657 OH TYR A 38 9.197 0.399 7.018 1.00 0.00 O ATOM 0 H TYR A 38 2.734 -2.131 2.666 1.00 0.00 H new ATOM 0 HA TYR A 38 4.203 0.428 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.371 -0.760 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.089 -2.252 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.788 1.138 6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.534 -2.554 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.969 1.820 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.714 -1.871 5.752 1.00 0.00 H new ATOM 0 HH TYR A 38 9.923 0.071 6.448 1.00 0.00 H new ATOM 667 N TYR A 39 6.160 -0.493 2.079 1.00 0.00 N ATOM 668 CA TYR A 39 7.239 -1.071 1.231 1.00 0.00 C ATOM 669 C TYR A 39 8.612 -0.794 1.855 1.00 0.00 C ATOM 670 O TYR A 39 8.888 0.301 2.301 1.00 0.00 O ATOM 671 CB TYR A 39 7.125 -0.370 -0.126 1.00 0.00 C ATOM 672 CG TYR A 39 8.250 -0.828 -1.040 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.767 -2.131 -0.938 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.777 0.053 -1.991 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.803 -2.546 -1.784 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.815 -0.365 -2.836 1.00 0.00 C ATOM 677 CZ TYR A 39 10.326 -1.663 -2.732 1.00 0.00 C ATOM 678 OH TYR A 39 11.345 -2.072 -3.569 1.00 0.00 O ATOM 0 H TYR A 39 6.241 0.504 2.278 1.00 0.00 H new ATOM 0 HA TYR A 39 7.137 -2.152 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.160 -0.594 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.171 0.711 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.364 -2.814 -0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.384 1.056 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.197 -3.548 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.221 0.317 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 39 11.591 -1.337 -4.168 1.00 0.00 H new ATOM 688 N ASP A 40 9.478 -1.768 1.882 1.00 0.00 N ATOM 689 CA ASP A 40 10.829 -1.539 2.471 1.00 0.00 C ATOM 690 C ASP A 40 11.910 -2.088 1.533 1.00 0.00 C ATOM 691 O ASP A 40 12.371 -3.198 1.703 1.00 0.00 O ATOM 692 CB ASP A 40 10.826 -2.304 3.793 1.00 0.00 C ATOM 693 CG ASP A 40 11.763 -1.608 4.782 1.00 0.00 C ATOM 694 OD1 ASP A 40 11.376 -0.579 5.311 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.852 -2.117 4.992 1.00 0.00 O ATOM 0 H ASP A 40 9.311 -2.708 1.524 1.00 0.00 H new ATOM 0 HA ASP A 40 11.041 -0.480 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.816 -2.346 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.148 -3.333 3.632 1.00 0.00 H new ATOM 838 N LEU A 49 7.838 -6.580 1.845 1.00 0.00 N ATOM 839 CA LEU A 49 6.497 -6.024 1.502 1.00 0.00 C ATOM 840 C LEU A 49 5.491 -6.331 2.614 1.00 0.00 C ATOM 841 O LEU A 49 5.315 -7.466 3.011 1.00 0.00 O ATOM 842 CB LEU A 49 6.086 -6.733 0.212 1.00 0.00 C ATOM 843 CG LEU A 49 4.844 -6.052 -0.370 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.022 -5.858 -1.875 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.619 -6.930 -0.108 1.00 0.00 C ATOM 0 HA LEU A 49 6.525 -4.941 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.903 -6.702 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.878 -7.784 0.412 1.00 0.00 H new ATOM 0 HG LEU A 49 4.706 -5.080 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.137 -5.373 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.897 -5.234 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.160 -6.828 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.732 -6.449 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.759 -7.901 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.492 -7.066 0.966 1.00 0.00 H new ATOM 857 N LYS A 50 4.824 -5.327 3.108 1.00 0.00 N ATOM 858 CA LYS A 50 3.817 -5.553 4.185 1.00 0.00 C ATOM 859 C LYS A 50 2.549 -4.758 3.869 1.00 0.00 C ATOM 860 O LYS A 50 2.429 -3.602 4.223 1.00 0.00 O ATOM 861 CB LYS A 50 4.477 -5.034 5.462 1.00 0.00 C ATOM 862 CG LYS A 50 5.670 -5.926 5.816 1.00 0.00 C ATOM 863 CD LYS A 50 5.498 -6.471 7.235 1.00 0.00 C ATOM 864 CE LYS A 50 5.823 -5.373 8.249 1.00 0.00 C ATOM 865 NZ LYS A 50 4.958 -5.667 9.424 1.00 0.00 N ATOM 0 H LYS A 50 4.932 -4.357 2.813 1.00 0.00 H new ATOM 0 HA LYS A 50 3.529 -6.600 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.807 -4.005 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.757 -5.029 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.745 -6.749 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.597 -5.357 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.476 -6.822 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.154 -7.328 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.878 -5.387 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.613 -4.384 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.124 -4.955 10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.959 -5.640 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.185 -6.612 9.795 1.00 0.00 H new ATOM 879 N VAL A 51 1.608 -5.359 3.193 1.00 0.00 N ATOM 880 CA VAL A 51 0.364 -4.615 2.849 1.00 0.00 C ATOM 881 C VAL A 51 -0.860 -5.264 3.489 1.00 0.00 C ATOM 882 O VAL A 51 -1.045 -6.465 3.442 1.00 0.00 O ATOM 883 CB VAL A 51 0.269 -4.675 1.305 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.191 -4.778 0.824 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.851 -3.406 0.706 1.00 0.00 C ATOM 0 H VAL A 51 1.646 -6.325 2.867 1.00 0.00 H new ATOM 0 HA VAL A 51 0.394 -3.590 3.218 1.00 0.00 H new ATOM 0 HB VAL A 51 0.820 -5.560 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.213 -4.818 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.645 -5.682 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.749 -3.907 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.782 -3.452 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.292 -2.543 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.896 -3.311 1.000 1.00 0.00 H new ATOM 895 N ASP A 52 -1.734 -4.460 4.011 1.00 0.00 N ATOM 896 CA ASP A 52 -2.989 -5.006 4.564 1.00 0.00 C ATOM 897 C ASP A 52 -3.925 -5.196 3.376 1.00 0.00 C ATOM 898 O ASP A 52 -4.867 -4.449 3.199 1.00 0.00 O ATOM 899 CB ASP A 52 -3.516 -3.929 5.514 1.00 0.00 C ATOM 900 CG ASP A 52 -4.502 -4.555 6.501 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.050 -5.215 7.422 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.694 -4.362 6.321 1.00 0.00 O ATOM 0 H ASP A 52 -1.631 -3.447 4.078 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.881 -5.952 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.688 -3.469 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.006 -3.138 4.947 1.00 0.00 H new ATOM 907 N VAL A 53 -3.619 -6.162 2.528 1.00 0.00 N ATOM 908 CA VAL A 53 -4.432 -6.411 1.284 1.00 0.00 C ATOM 909 C VAL A 53 -5.926 -6.128 1.519 1.00 0.00 C ATOM 910 O VAL A 53 -6.621 -5.686 0.624 1.00 0.00 O ATOM 911 CB VAL A 53 -4.151 -7.883 0.857 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.900 -8.786 2.066 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.326 -8.453 0.046 1.00 0.00 C ATOM 0 H VAL A 53 -2.829 -6.796 2.649 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.146 -5.732 0.481 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.253 -7.864 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.708 -9.804 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.036 -8.420 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.777 -8.779 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.106 -9.481 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.231 -8.431 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.475 -7.851 -0.850 1.00 0.00 H new ATOM 923 N GLU A 54 -6.418 -6.333 2.709 1.00 0.00 N ATOM 924 CA GLU A 54 -7.847 -6.022 2.961 1.00 0.00 C ATOM 925 C GLU A 54 -8.071 -4.523 2.758 1.00 0.00 C ATOM 926 O GLU A 54 -8.935 -4.111 2.007 1.00 0.00 O ATOM 927 CB GLU A 54 -8.107 -6.433 4.410 1.00 0.00 C ATOM 928 CG GLU A 54 -9.604 -6.666 4.615 1.00 0.00 C ATOM 929 CD GLU A 54 -10.061 -5.976 5.900 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.658 -4.845 6.117 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.806 -6.588 6.646 1.00 0.00 O ATOM 0 H GLU A 54 -5.898 -6.698 3.507 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.523 -6.547 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.551 -7.340 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.753 -5.657 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.162 -6.277 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.811 -7.735 4.671 1.00 0.00 H new ATOM 938 N ARG A 55 -7.284 -3.703 3.398 1.00 0.00 N ATOM 939 CA ARG A 55 -7.436 -2.239 3.217 1.00 0.00 C ATOM 940 C ARG A 55 -6.849 -1.840 1.859 1.00 0.00 C ATOM 941 O ARG A 55 -7.364 -0.983 1.175 1.00 0.00 O ATOM 942 CB ARG A 55 -6.658 -1.611 4.370 1.00 0.00 C ATOM 943 CG ARG A 55 -7.642 -1.123 5.435 1.00 0.00 C ATOM 944 CD ARG A 55 -7.508 0.390 5.585 1.00 0.00 C ATOM 945 NE ARG A 55 -6.107 0.590 6.047 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.809 0.620 7.328 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.726 0.424 8.244 1.00 0.00 N ATOM 948 NH2 ARG A 55 -4.574 0.827 7.694 1.00 0.00 N ATOM 0 H ARG A 55 -6.543 -3.987 4.038 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.475 -1.910 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.970 -2.339 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.055 -0.779 4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.662 -1.384 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.440 -1.614 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.692 0.901 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.225 0.784 6.306 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.364 0.706 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.692 0.244 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.474 0.451 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.849 0.964 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.333 0.852 8.685 1.00 0.00 H new ATOM 962 N ALA A 56 -5.800 -2.493 1.437 1.00 0.00 N ATOM 963 CA ALA A 56 -5.235 -2.182 0.103 1.00 0.00 C ATOM 964 C ALA A 56 -6.271 -2.611 -0.944 1.00 0.00 C ATOM 965 O ALA A 56 -6.244 -2.170 -2.078 1.00 0.00 O ATOM 966 CB ALA A 56 -3.944 -3.004 0.006 1.00 0.00 C ATOM 0 H ALA A 56 -5.316 -3.224 1.959 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.014 -1.127 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.469 -2.824 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.264 -2.709 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.179 -4.064 0.102 1.00 0.00 H new ATOM 972 N ARG A 57 -7.209 -3.453 -0.557 1.00 0.00 N ATOM 973 CA ARG A 57 -8.262 -3.885 -1.506 1.00 0.00 C ATOM 974 C ARG A 57 -9.436 -2.897 -1.448 1.00 0.00 C ATOM 975 O ARG A 57 -10.169 -2.728 -2.403 1.00 0.00 O ATOM 976 CB ARG A 57 -8.695 -5.273 -1.028 1.00 0.00 C ATOM 977 CG ARG A 57 -9.887 -5.752 -1.858 1.00 0.00 C ATOM 978 CD ARG A 57 -9.941 -7.281 -1.836 1.00 0.00 C ATOM 979 NE ARG A 57 -10.502 -7.628 -0.498 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.721 -8.879 -0.165 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.457 -9.854 -0.999 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.210 -9.154 1.014 1.00 0.00 N ATOM 0 H ARG A 57 -7.280 -3.853 0.379 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.911 -3.914 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.867 -5.976 -1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.965 -5.238 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.813 -5.339 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.797 -5.395 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.570 -7.665 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.950 -7.713 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.718 -6.885 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.076 -9.646 -1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.633 -10.821 -0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.419 -8.400 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.383 -10.123 1.281 1.00 0.00 H new ATOM 996 N TYR A 58 -9.592 -2.220 -0.337 1.00 0.00 N ATOM 997 CA TYR A 58 -10.680 -1.212 -0.204 1.00 0.00 C ATOM 998 C TYR A 58 -10.464 -0.180 -1.286 1.00 0.00 C ATOM 999 O TYR A 58 -11.361 0.259 -1.980 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.439 -0.590 1.178 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.066 0.787 1.291 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.327 1.030 0.740 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.380 1.819 1.952 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.907 2.299 0.848 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.960 3.088 2.057 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.225 3.328 1.507 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.799 4.578 1.613 1.00 0.00 O ATOM 0 H TYR A 58 -9.004 -2.327 0.490 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.689 -1.615 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.852 -1.242 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.367 -0.518 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.855 0.237 0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.406 1.633 2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.882 2.484 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.432 3.883 2.563 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.194 5.175 2.100 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.243 0.198 -1.398 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.850 1.206 -2.395 1.00 0.00 C ATOM 1019 C TRP A 59 -8.995 0.634 -3.788 1.00 0.00 C ATOM 1020 O TRP A 59 -9.743 1.135 -4.601 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.412 1.524 -2.026 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.490 2.238 -0.732 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.004 1.815 0.454 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.169 3.480 -0.482 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.323 2.758 1.420 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.044 3.808 0.882 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.864 4.348 -1.325 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.604 4.977 1.398 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.431 5.522 -0.818 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.301 5.839 0.541 1.00 0.00 C ATOM 0 H TRP A 59 -8.477 -0.157 -0.826 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.465 2.106 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.818 0.614 -1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.938 2.142 -2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.459 0.898 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.059 2.686 2.403 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.965 4.112 -2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.501 5.215 2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.971 6.187 -1.476 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.738 6.748 0.928 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.328 -0.442 -4.062 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.480 -1.072 -5.401 1.00 0.00 C ATOM 1043 C LEU A 60 -9.974 -1.294 -5.671 1.00 0.00 C ATOM 1044 O LEU A 60 -10.410 -1.375 -6.802 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.738 -2.407 -5.307 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.316 -2.237 -5.843 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.483 -3.463 -5.471 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.360 -2.094 -7.366 1.00 0.00 C ATOM 0 H LEU A 60 -7.687 -0.914 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.082 -0.460 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.710 -2.748 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.265 -3.170 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.866 -1.345 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.469 -3.343 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.453 -3.567 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.932 -4.355 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.347 -1.973 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.809 -2.986 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.956 -1.221 -7.632 1.00 0.00 H new ATOM 1060 N SER A 61 -10.765 -1.372 -4.624 1.00 0.00 N ATOM 1061 CA SER A 61 -12.228 -1.564 -4.803 1.00 0.00 C ATOM 1062 C SER A 61 -12.907 -0.226 -5.128 1.00 0.00 C ATOM 1063 O SER A 61 -13.985 -0.192 -5.685 1.00 0.00 O ATOM 1064 CB SER A 61 -12.731 -2.115 -3.470 1.00 0.00 C ATOM 1065 OG SER A 61 -14.129 -1.878 -3.363 1.00 0.00 O ATOM 0 H SER A 61 -10.453 -1.310 -3.655 1.00 0.00 H new ATOM 0 HA SER A 61 -12.453 -2.240 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.525 -3.183 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.205 -1.637 -2.644 1.00 0.00 H new ATOM 0 HG SER A 61 -14.456 -2.231 -2.510 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.288 0.883 -4.794 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.913 2.193 -5.103 1.00 0.00 C ATOM 1073 C VAL A 62 -12.300 2.755 -6.385 1.00 0.00 C ATOM 1074 O VAL A 62 -12.154 3.949 -6.555 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.626 3.116 -3.897 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.913 2.391 -2.579 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.162 3.585 -3.900 1.00 0.00 C ATOM 0 H VAL A 62 -11.384 0.930 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.988 2.105 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.281 3.982 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.704 3.059 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.960 2.090 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.279 1.507 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.986 4.233 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.502 2.719 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.958 4.136 -4.818 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.938 1.888 -7.283 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.327 2.341 -8.565 1.00 0.00 C ATOM 1089 C GLY A 63 -9.936 2.917 -8.294 1.00 0.00 C ATOM 1090 O GLY A 63 -9.453 3.758 -9.025 1.00 0.00 O ATOM 0 H GLY A 63 -12.038 0.878 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.257 1.505 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.959 3.095 -9.035 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.286 2.475 -7.249 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.931 3.010 -6.943 1.00 0.00 C ATOM 1096 C ALA A 64 -6.915 2.502 -7.969 1.00 0.00 C ATOM 1097 O ALA A 64 -6.566 1.339 -7.988 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.593 2.484 -5.549 1.00 0.00 C ATOM 0 H ALA A 64 -9.634 1.771 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.904 4.099 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.605 2.839 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.334 2.843 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.598 1.394 -5.560 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.440 3.366 -8.822 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.448 2.934 -9.847 1.00 0.00 C ATOM 1106 C GLN A 65 -4.051 2.802 -9.219 1.00 0.00 C ATOM 1107 O GLN A 65 -3.474 3.782 -8.791 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.463 4.049 -10.894 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.187 3.560 -12.151 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.181 3.369 -13.288 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.987 3.479 -13.089 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.618 3.081 -14.484 1.00 0.00 N ATOM 0 H GLN A 65 -6.696 4.353 -8.854 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.691 1.962 -10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.963 4.931 -10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.443 4.344 -11.141 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.699 2.620 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.950 4.280 -12.446 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.620 2.988 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.958 2.949 -15.250 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.547 1.589 -9.180 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.208 1.347 -8.598 1.00 0.00 C ATOM 1123 C PRO A 66 -1.116 1.659 -9.629 1.00 0.00 C ATOM 1124 O PRO A 66 -1.309 1.493 -10.817 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.225 -0.142 -8.276 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.224 -0.745 -9.217 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.167 0.347 -9.660 1.00 0.00 C ATOM 0 HA PRO A 66 -2.000 1.969 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.239 -0.585 -8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.509 -0.316 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.720 -1.185 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.774 -1.547 -8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.283 0.355 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.161 0.210 -9.234 1.00 0.00 H new ATOM 1135 N THR A 67 0.031 2.104 -9.189 1.00 0.00 N ATOM 1136 CA THR A 67 1.125 2.414 -10.157 1.00 0.00 C ATOM 1137 C THR A 67 1.747 1.113 -10.672 1.00 0.00 C ATOM 1138 O THR A 67 1.585 0.069 -10.083 1.00 0.00 O ATOM 1139 CB THR A 67 2.152 3.222 -9.362 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.239 2.709 -8.041 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.726 4.691 -9.316 1.00 0.00 C ATOM 0 H THR A 67 0.258 2.266 -8.208 1.00 0.00 H new ATOM 0 HA THR A 67 0.765 2.966 -11.025 1.00 0.00 H new ATOM 0 HB THR A 67 3.126 3.145 -9.845 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.898 3.226 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.459 5.265 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.664 5.084 -10.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.751 4.772 -8.835 1.00 0.00 H new ATOM 1149 N ASP A 68 2.450 1.164 -11.770 1.00 0.00 N ATOM 1150 CA ASP A 68 3.066 -0.083 -12.317 1.00 0.00 C ATOM 1151 C ASP A 68 3.992 -0.737 -11.284 1.00 0.00 C ATOM 1152 O ASP A 68 4.225 -1.929 -11.313 1.00 0.00 O ATOM 1153 CB ASP A 68 3.866 0.373 -13.539 1.00 0.00 C ATOM 1154 CG ASP A 68 4.979 1.326 -13.100 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.659 2.364 -12.543 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.133 1.003 -13.329 1.00 0.00 O ATOM 0 H ASP A 68 2.625 2.010 -12.312 1.00 0.00 H new ATOM 0 HA ASP A 68 2.312 -0.828 -12.571 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.293 -0.490 -14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.208 0.870 -14.252 1.00 0.00 H new ATOM 1161 N THR A 69 4.523 0.031 -10.374 1.00 0.00 N ATOM 1162 CA THR A 69 5.437 -0.546 -9.344 1.00 0.00 C ATOM 1163 C THR A 69 4.659 -0.921 -8.085 1.00 0.00 C ATOM 1164 O THR A 69 4.808 -2.000 -7.548 1.00 0.00 O ATOM 1165 CB THR A 69 6.400 0.574 -9.019 1.00 0.00 C ATOM 1166 OG1 THR A 69 7.003 1.049 -10.215 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.480 0.079 -8.051 1.00 0.00 C ATOM 0 H THR A 69 4.364 1.036 -10.297 1.00 0.00 H new ATOM 0 HA THR A 69 5.933 -1.448 -9.702 1.00 0.00 H new ATOM 0 HB THR A 69 5.851 1.388 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.625 1.776 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.167 0.894 -7.825 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.012 -0.267 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.030 -0.743 -8.509 1.00 0.00 H new ATOM 1175 N ALA A 70 3.830 -0.034 -7.609 1.00 0.00 N ATOM 1176 CA ALA A 70 3.048 -0.335 -6.390 1.00 0.00 C ATOM 1177 C ALA A 70 2.022 -1.401 -6.723 1.00 0.00 C ATOM 1178 O ALA A 70 1.633 -2.189 -5.887 1.00 0.00 O ATOM 1179 CB ALA A 70 2.367 0.976 -6.009 1.00 0.00 C ATOM 0 H ALA A 70 3.664 0.886 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 70 3.662 -0.707 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.768 0.827 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.124 1.737 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.722 1.302 -6.825 1.00 0.00 H new ATOM 1185 N ARG A 71 1.607 -1.456 -7.958 1.00 0.00 N ATOM 1186 CA ARG A 71 0.639 -2.492 -8.350 1.00 0.00 C ATOM 1187 C ARG A 71 1.340 -3.825 -8.205 1.00 0.00 C ATOM 1188 O ARG A 71 0.777 -4.799 -7.749 1.00 0.00 O ATOM 1189 CB ARG A 71 0.296 -2.216 -9.816 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.653 -3.296 -10.343 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.056 -2.959 -11.781 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.967 -4.251 -12.523 1.00 0.00 N ATOM 1193 CZ ARG A 71 0.196 -4.749 -12.870 1.00 0.00 C ATOM 1194 NH1 ARG A 71 1.312 -4.135 -12.560 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.244 -5.874 -13.530 1.00 0.00 N ATOM 0 H ARG A 71 1.901 -0.826 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.269 -2.496 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.168 -1.234 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.207 -2.197 -10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.167 -4.271 -10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.538 -3.358 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.065 -2.550 -11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.391 -2.210 -12.212 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.822 -4.753 -12.763 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.284 -3.257 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.208 -4.535 -12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.619 -6.360 -13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.145 -6.267 -13.803 1.00 0.00 H new ATOM 1209 N ARG A 72 2.595 -3.859 -8.565 1.00 0.00 N ATOM 1210 CA ARG A 72 3.356 -5.115 -8.430 1.00 0.00 C ATOM 1211 C ARG A 72 3.407 -5.505 -6.957 1.00 0.00 C ATOM 1212 O ARG A 72 3.374 -6.667 -6.604 1.00 0.00 O ATOM 1213 CB ARG A 72 4.752 -4.798 -8.962 1.00 0.00 C ATOM 1214 CG ARG A 72 5.144 -5.837 -10.008 1.00 0.00 C ATOM 1215 CD ARG A 72 6.665 -5.845 -10.176 1.00 0.00 C ATOM 1216 NE ARG A 72 7.045 -7.286 -10.156 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.856 -8.045 -11.209 1.00 0.00 C ATOM 1218 NH1 ARG A 72 6.329 -7.561 -12.305 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.196 -9.303 -11.163 1.00 0.00 N ATOM 0 H ARG A 72 3.117 -3.069 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 72 2.909 -5.947 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.768 -3.800 -9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.473 -4.799 -8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.796 -6.824 -9.703 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.664 -5.609 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.962 -5.371 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.154 -5.296 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 72 7.457 -7.687 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.058 -6.579 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.189 -8.166 -13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.605 -9.690 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.052 -9.900 -11.977 1.00 0.00 H new ATOM 1233 N LEU A 73 3.477 -4.529 -6.095 1.00 0.00 N ATOM 1234 CA LEU A 73 3.520 -4.818 -4.648 1.00 0.00 C ATOM 1235 C LEU A 73 2.120 -5.186 -4.167 1.00 0.00 C ATOM 1236 O LEU A 73 1.954 -6.020 -3.298 1.00 0.00 O ATOM 1237 CB LEU A 73 4.017 -3.532 -3.981 1.00 0.00 C ATOM 1238 CG LEU A 73 5.336 -3.088 -4.627 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.560 -1.597 -4.368 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.497 -3.878 -4.023 1.00 0.00 C ATOM 0 H LEU A 73 3.506 -3.539 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 73 4.176 -5.655 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.269 -2.746 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.162 -3.698 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 73 5.286 -3.271 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.498 -1.285 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.737 -1.025 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.605 -1.417 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.432 -3.560 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.541 -3.696 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.346 -4.942 -4.204 1.00 0.00 H new ATOM 1252 N LEU A 74 1.105 -4.600 -4.746 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.270 -4.966 -4.330 1.00 0.00 C ATOM 1254 C LEU A 74 -0.497 -6.425 -4.718 1.00 0.00 C ATOM 1255 O LEU A 74 -1.241 -7.145 -4.082 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.206 -4.033 -5.098 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.094 -2.624 -4.530 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.945 -1.667 -5.363 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.587 -2.616 -3.081 1.00 0.00 C ATOM 0 H LEU A 74 1.172 -3.894 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.442 -4.864 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.948 -4.032 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.234 -4.387 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.053 -2.303 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.864 -0.659 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.593 -1.671 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.986 -1.987 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.507 -1.608 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.628 -2.938 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.978 -3.296 -2.486 1.00 0.00 H new ATOM 1271 N ARG A 75 0.178 -6.872 -5.749 1.00 0.00 N ATOM 1272 CA ARG A 75 0.051 -8.289 -6.170 1.00 0.00 C ATOM 1273 C ARG A 75 0.906 -9.126 -5.243 1.00 0.00 C ATOM 1274 O ARG A 75 0.606 -10.264 -4.943 1.00 0.00 O ATOM 1275 CB ARG A 75 0.613 -8.380 -7.592 1.00 0.00 C ATOM 1276 CG ARG A 75 0.045 -7.263 -8.462 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.763 -7.867 -9.616 1.00 0.00 C ATOM 1278 NE ARG A 75 0.162 -8.840 -10.270 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.266 -9.643 -11.216 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.514 -9.612 -11.614 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.563 -10.487 -11.765 1.00 0.00 N ATOM 0 H ARG A 75 0.812 -6.309 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.982 -8.637 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.700 -8.311 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.366 -9.349 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.590 -6.610 -7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.854 -6.648 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.663 -8.362 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.085 -7.097 -10.317 1.00 0.00 H new ATOM 0 HE ARG A 75 1.138 -8.881 -9.978 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.169 -8.957 -11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.830 -10.243 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.535 -10.519 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.239 -11.115 -12.501 1.00 0.00 H new ATOM 1295 N GLN A 76 1.982 -8.554 -4.787 1.00 0.00 N ATOM 1296 CA GLN A 76 2.872 -9.285 -3.882 1.00 0.00 C ATOM 1297 C GLN A 76 2.204 -9.413 -2.532 1.00 0.00 C ATOM 1298 O GLN A 76 2.329 -10.404 -1.840 1.00 0.00 O ATOM 1299 CB GLN A 76 4.123 -8.428 -3.814 1.00 0.00 C ATOM 1300 CG GLN A 76 5.291 -9.258 -3.294 1.00 0.00 C ATOM 1301 CD GLN A 76 5.714 -10.258 -4.371 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.870 -11.432 -4.099 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.907 -9.839 -5.591 1.00 0.00 N ATOM 0 H GLN A 76 2.276 -7.603 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 76 3.105 -10.297 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.358 -8.032 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.954 -7.573 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.127 -8.609 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.002 -9.785 -2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.776 -8.853 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.189 -10.497 -6.318 1.00 0.00 H new ATOM 1312 N ALA A 77 1.470 -8.417 -2.176 1.00 0.00 N ATOM 1313 CA ALA A 77 0.742 -8.452 -0.889 1.00 0.00 C ATOM 1314 C ALA A 77 -0.363 -9.518 -0.935 1.00 0.00 C ATOM 1315 O ALA A 77 -0.974 -9.834 0.066 1.00 0.00 O ATOM 1316 CB ALA A 77 0.130 -7.062 -0.745 1.00 0.00 C ATOM 0 H ALA A 77 1.338 -7.567 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 77 1.394 -8.702 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.429 -7.006 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.923 -6.314 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.542 -6.872 -1.582 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.630 -10.069 -2.093 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.700 -11.101 -2.205 1.00 0.00 C ATOM 1324 C GLY A 78 -3.057 -10.408 -2.345 1.00 0.00 C ATOM 1325 O GLY A 78 -4.023 -10.777 -1.708 1.00 0.00 O ATOM 0 H GLY A 78 -0.151 -9.847 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.515 -11.741 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.696 -11.743 -1.324 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.135 -9.395 -3.167 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.421 -8.670 -3.336 1.00 0.00 C ATOM 1331 C VAL A 79 -5.117 -9.062 -4.648 1.00 0.00 C ATOM 1332 O VAL A 79 -6.268 -8.741 -4.864 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.042 -7.196 -3.363 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.308 -6.345 -3.456 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.277 -6.836 -2.086 1.00 0.00 C ATOM 0 H VAL A 79 -2.360 -9.040 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.120 -8.908 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.409 -7.003 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.036 -5.290 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.850 -6.597 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.942 -6.541 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.007 -5.780 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.906 -7.031 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.372 -7.440 -2.021 1.00 0.00 H new