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 165:sc= -0.213 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 -126:sc= 0.17 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.661 K(o=-0.66,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.342 8.789 -7.371 1.00 0.00 N ATOM 21 CA VAL A 2 -7.847 7.871 -6.302 1.00 0.00 C ATOM 22 C VAL A 2 -6.822 6.897 -6.888 1.00 0.00 C ATOM 23 O VAL A 2 -7.145 6.068 -7.714 1.00 0.00 O ATOM 24 CB VAL A 2 -9.082 7.112 -5.813 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.712 6.275 -4.588 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.183 8.107 -5.433 1.00 0.00 C ATOM 0 HA VAL A 2 -7.358 8.410 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.442 6.460 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.591 5.734 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.930 5.564 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.350 6.930 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.061 7.563 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.824 8.762 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.449 8.706 -6.304 1.00 0.00 H new ATOM 36 N LYS A 3 -5.590 6.992 -6.472 1.00 0.00 N ATOM 37 CA LYS A 3 -4.552 6.070 -7.017 1.00 0.00 C ATOM 38 C LYS A 3 -3.596 5.615 -5.911 1.00 0.00 C ATOM 39 O LYS A 3 -3.138 6.406 -5.111 1.00 0.00 O ATOM 40 CB LYS A 3 -3.800 6.902 -8.055 1.00 0.00 C ATOM 41 CG LYS A 3 -4.191 6.442 -9.458 1.00 0.00 C ATOM 42 CD LYS A 3 -4.956 7.560 -10.166 1.00 0.00 C ATOM 43 CE LYS A 3 -5.281 7.128 -11.597 1.00 0.00 C ATOM 44 NZ LYS A 3 -5.115 8.361 -12.416 1.00 0.00 N ATOM 0 H LYS A 3 -5.257 7.665 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.991 5.168 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.035 7.959 -7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.725 6.795 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.300 6.179 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.808 5.545 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.875 7.785 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.360 8.473 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.610 6.337 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.296 6.738 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.321 8.146 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.771 9.094 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.137 8.705 -12.331 1.00 0.00 H new ATOM 58 N ILE A 4 -3.276 4.350 -5.872 1.00 0.00 N ATOM 59 CA ILE A 4 -2.336 3.859 -4.833 1.00 0.00 C ATOM 60 C ILE A 4 -0.955 3.663 -5.456 1.00 0.00 C ATOM 61 O ILE A 4 -0.820 3.135 -6.539 1.00 0.00 O ATOM 62 CB ILE A 4 -2.923 2.542 -4.330 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.168 2.844 -3.501 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.902 1.805 -3.459 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.828 1.534 -3.085 1.00 0.00 C ATOM 0 H ILE A 4 -3.626 3.639 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.215 4.560 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.179 1.912 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.899 3.425 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.866 3.448 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.333 0.868 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.008 1.595 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.637 2.427 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.718 1.747 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.110 0.970 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.128 0.947 -2.490 1.00 0.00 H new ATOM 77 N ARG A 5 0.072 4.092 -4.784 1.00 0.00 N ATOM 78 CA ARG A 5 1.433 3.937 -5.342 1.00 0.00 C ATOM 79 C ARG A 5 2.449 3.813 -4.212 1.00 0.00 C ATOM 80 O ARG A 5 2.106 3.894 -3.049 1.00 0.00 O ATOM 81 CB ARG A 5 1.681 5.208 -6.159 1.00 0.00 C ATOM 82 CG ARG A 5 1.661 6.429 -5.235 1.00 0.00 C ATOM 83 CD ARG A 5 1.454 7.696 -6.069 1.00 0.00 C ATOM 84 NE ARG A 5 2.827 8.133 -6.454 1.00 0.00 N ATOM 85 CZ ARG A 5 3.007 9.071 -7.356 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.985 9.652 -7.937 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.219 9.431 -7.678 1.00 0.00 N ATOM 0 H ARG A 5 0.024 4.544 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 5 1.529 3.041 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.642 5.142 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.917 5.311 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.862 6.330 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.597 6.494 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.843 7.494 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.941 8.467 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 5 3.637 7.698 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.034 9.377 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.141 10.379 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.019 8.985 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.366 10.159 -8.378 1.00 0.00 H new ATOM 101 N LEU A 6 3.695 3.636 -4.538 1.00 0.00 N ATOM 102 CA LEU A 6 4.719 3.527 -3.467 1.00 0.00 C ATOM 103 C LEU A 6 5.257 4.921 -3.131 1.00 0.00 C ATOM 104 O LEU A 6 5.602 5.694 -4.001 1.00 0.00 O ATOM 105 CB LEU A 6 5.819 2.623 -4.027 1.00 0.00 C ATOM 106 CG LEU A 6 6.463 3.274 -5.248 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.798 3.901 -4.844 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.703 2.208 -6.320 1.00 0.00 C ATOM 0 H LEU A 6 4.048 3.562 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 6 4.314 3.110 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.574 2.440 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.400 1.654 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 6 5.804 4.047 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.260 4.367 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.628 4.656 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.459 3.128 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.163 2.668 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.365 1.437 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.752 1.758 -6.605 1.00 0.00 H new ATOM 120 N ALA A 7 5.316 5.244 -1.870 1.00 0.00 N ATOM 121 CA ALA A 7 5.814 6.581 -1.450 1.00 0.00 C ATOM 122 C ALA A 7 7.272 6.458 -1.026 1.00 0.00 C ATOM 123 O ALA A 7 7.751 5.376 -0.803 1.00 0.00 O ATOM 124 CB ALA A 7 4.936 6.948 -0.257 1.00 0.00 C ATOM 0 H ALA A 7 5.037 4.631 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 7 5.766 7.331 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.230 7.926 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.892 6.980 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.057 6.201 0.528 1.00 0.00 H new ATOM 130 N ARG A 8 7.990 7.543 -0.924 1.00 0.00 N ATOM 131 CA ARG A 8 9.419 7.438 -0.532 1.00 0.00 C ATOM 132 C ARG A 8 9.751 8.367 0.639 1.00 0.00 C ATOM 133 O ARG A 8 9.736 9.576 0.511 1.00 0.00 O ATOM 134 CB ARG A 8 10.197 7.855 -1.779 1.00 0.00 C ATOM 135 CG ARG A 8 11.663 7.447 -1.630 1.00 0.00 C ATOM 136 CD ARG A 8 12.520 8.694 -1.405 1.00 0.00 C ATOM 137 NE ARG A 8 13.034 8.564 -0.011 1.00 0.00 N ATOM 138 CZ ARG A 8 13.896 9.428 0.471 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.320 10.434 -0.254 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.335 9.285 1.691 1.00 0.00 N ATOM 0 H ARG A 8 7.650 8.490 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 8 9.669 6.431 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.766 7.384 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.122 8.933 -1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.777 6.759 -0.792 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.997 6.920 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.338 8.746 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.932 9.604 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 8 12.711 7.794 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.980 10.554 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.990 11.097 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.008 8.506 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.005 9.952 2.073 1.00 0.00 H new ATOM 276 N TYR A 17 9.508 2.717 1.648 1.00 0.00 N ATOM 277 CA TYR A 17 8.417 3.390 0.908 1.00 0.00 C ATOM 278 C TYR A 17 7.089 2.867 1.442 1.00 0.00 C ATOM 279 O TYR A 17 7.064 1.918 2.198 1.00 0.00 O ATOM 280 CB TYR A 17 8.579 2.911 -0.531 1.00 0.00 C ATOM 281 CG TYR A 17 9.815 3.485 -1.184 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.087 3.150 -0.709 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.682 4.331 -2.292 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.226 3.666 -1.338 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.819 4.844 -2.922 1.00 0.00 C ATOM 286 CZ TYR A 17 12.092 4.514 -2.446 1.00 0.00 C ATOM 287 OH TYR A 17 13.215 5.021 -3.069 1.00 0.00 O ATOM 0 HA TYR A 17 8.444 4.476 0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.633 1.822 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.699 3.195 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.190 2.494 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.700 4.587 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.209 3.411 -0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.715 5.496 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 17 12.967 5.385 -3.945 1.00 0.00 H new ATOM 297 N ARG A 18 5.985 3.433 1.042 1.00 0.00 N ATOM 298 CA ARG A 18 4.686 2.897 1.517 1.00 0.00 C ATOM 299 C ARG A 18 3.730 2.803 0.340 1.00 0.00 C ATOM 300 O ARG A 18 3.792 3.587 -0.580 1.00 0.00 O ATOM 301 CB ARG A 18 4.170 3.893 2.548 1.00 0.00 C ATOM 302 CG ARG A 18 4.801 3.598 3.909 1.00 0.00 C ATOM 303 CD ARG A 18 4.393 4.681 4.910 1.00 0.00 C ATOM 304 NE ARG A 18 4.555 4.045 6.249 1.00 0.00 N ATOM 305 CZ ARG A 18 3.737 3.097 6.645 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.754 2.693 5.880 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.904 2.553 7.819 1.00 0.00 N ATOM 0 H ARG A 18 5.928 4.235 0.414 1.00 0.00 H new ATOM 0 HA ARG A 18 4.782 1.903 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.410 4.910 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.084 3.829 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.480 2.619 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.887 3.563 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.023 5.566 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.364 5.003 4.747 1.00 0.00 H new ATOM 0 HE ARG A 18 5.309 4.350 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.615 3.116 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.127 1.956 6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.666 2.865 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.273 1.816 8.134 1.00 0.00 H new ATOM 321 N ILE A 19 2.813 1.890 0.380 1.00 0.00 N ATOM 322 CA ILE A 19 1.832 1.797 -0.719 1.00 0.00 C ATOM 323 C ILE A 19 0.647 2.555 -0.177 1.00 0.00 C ATOM 324 O ILE A 19 -0.244 2.023 0.450 1.00 0.00 O ATOM 325 CB ILE A 19 1.516 0.310 -0.957 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.606 -0.618 -0.404 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.438 0.056 -2.455 1.00 0.00 C ATOM 328 CD1 ILE A 19 3.951 -0.214 -0.996 1.00 0.00 C ATOM 0 H ILE A 19 2.701 1.204 1.127 1.00 0.00 H new ATOM 0 HA ILE A 19 2.162 2.201 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 19 0.576 0.098 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.639 -0.553 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.381 -1.654 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.214 -0.996 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.651 0.673 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.393 0.308 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.731 -0.869 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.911 -0.301 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.174 0.817 -0.722 1.00 0.00 H new ATOM 340 N VAL A 20 0.732 3.839 -0.327 1.00 0.00 N ATOM 341 CA VAL A 20 -0.259 4.755 0.255 1.00 0.00 C ATOM 342 C VAL A 20 -1.306 5.179 -0.784 1.00 0.00 C ATOM 343 O VAL A 20 -1.131 5.000 -1.974 1.00 0.00 O ATOM 344 CB VAL A 20 0.654 5.908 0.744 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.568 7.141 -0.157 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.300 6.285 2.177 1.00 0.00 C ATOM 0 H VAL A 20 1.476 4.302 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.872 4.337 1.054 1.00 0.00 H new ATOM 0 HB VAL A 20 1.681 5.546 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.226 7.920 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.875 6.875 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.458 7.508 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.948 7.096 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.740 6.609 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.439 5.420 2.826 1.00 0.00 H new ATOM 356 N VAL A 21 -2.408 5.704 -0.328 1.00 0.00 N ATOM 357 CA VAL A 21 -3.493 6.102 -1.265 1.00 0.00 C ATOM 358 C VAL A 21 -3.609 7.627 -1.327 1.00 0.00 C ATOM 359 O VAL A 21 -3.974 8.273 -0.365 1.00 0.00 O ATOM 360 CB VAL A 21 -4.793 5.487 -0.699 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.668 5.022 -1.855 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.503 4.277 0.195 1.00 0.00 C ATOM 0 H VAL A 21 -2.604 5.875 0.658 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.294 5.751 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.293 6.252 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.587 4.587 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.912 5.872 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.132 4.273 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.441 3.872 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.985 3.512 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.876 4.585 1.032 1.00 0.00 H new ATOM 372 N THR A 22 -3.301 8.204 -2.456 1.00 0.00 N ATOM 373 CA THR A 22 -3.395 9.688 -2.586 1.00 0.00 C ATOM 374 C THR A 22 -3.964 10.060 -3.957 1.00 0.00 C ATOM 375 O THR A 22 -4.476 9.226 -4.677 1.00 0.00 O ATOM 376 CB THR A 22 -1.956 10.200 -2.451 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.920 11.587 -2.751 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.039 9.449 -3.418 1.00 0.00 C ATOM 0 H THR A 22 -2.988 7.714 -3.294 1.00 0.00 H new ATOM 0 HA THR A 22 -4.052 10.124 -1.833 1.00 0.00 H new ATOM 0 HB THR A 22 -1.612 10.033 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.001 11.917 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.019 9.820 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.063 8.384 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.381 9.608 -4.441 1.00 0.00 H new ATOM 543 N TYR A 32 -1.666 11.881 1.147 1.00 0.00 N ATOM 544 CA TYR A 32 -2.557 10.719 0.834 1.00 0.00 C ATOM 545 C TYR A 32 -3.776 10.714 1.752 1.00 0.00 C ATOM 546 O TYR A 32 -3.985 11.617 2.539 1.00 0.00 O ATOM 547 CB TYR A 32 -1.719 9.446 1.061 1.00 0.00 C ATOM 548 CG TYR A 32 -0.926 9.551 2.347 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.590 9.633 3.577 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.473 9.576 2.304 1.00 0.00 C ATOM 551 CE1 TYR A 32 -0.855 9.740 4.763 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.208 9.681 3.490 1.00 0.00 C ATOM 553 CZ TYR A 32 0.545 9.764 4.720 1.00 0.00 C ATOM 554 OH TYR A 32 1.269 9.868 5.891 1.00 0.00 O ATOM 0 HA TYR A 32 -2.921 10.776 -0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.374 8.576 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.041 9.296 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.669 9.614 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.985 9.514 1.355 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.367 9.804 5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.287 9.698 3.456 1.00 0.00 H new ATOM 0 HH TYR A 32 2.227 9.870 5.684 1.00 0.00 H new ATOM 564 N ILE A 33 -4.584 9.697 1.651 1.00 0.00 N ATOM 565 CA ILE A 33 -5.799 9.611 2.505 1.00 0.00 C ATOM 566 C ILE A 33 -5.546 8.660 3.678 1.00 0.00 C ATOM 567 O ILE A 33 -5.841 8.966 4.816 1.00 0.00 O ATOM 568 CB ILE A 33 -6.876 9.052 1.578 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.133 10.043 0.442 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.166 8.835 2.362 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.236 9.285 -0.884 1.00 0.00 C ATOM 0 H ILE A 33 -4.453 8.916 1.008 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.085 10.571 2.934 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.539 8.101 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.053 10.596 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.326 10.774 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.933 8.436 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.985 8.129 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.504 9.785 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.419 9.991 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.304 8.752 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.058 8.571 -0.832 1.00 0.00 H new ATOM 583 N GLU A 34 -4.997 7.509 3.404 1.00 0.00 N ATOM 584 CA GLU A 34 -4.715 6.532 4.494 1.00 0.00 C ATOM 585 C GLU A 34 -3.555 5.622 4.085 1.00 0.00 C ATOM 586 O GLU A 34 -3.243 5.488 2.919 1.00 0.00 O ATOM 587 CB GLU A 34 -6.005 5.726 4.647 1.00 0.00 C ATOM 588 CG GLU A 34 -6.663 6.060 5.988 1.00 0.00 C ATOM 589 CD GLU A 34 -6.931 4.768 6.761 1.00 0.00 C ATOM 590 OE1 GLU A 34 -7.195 3.762 6.123 1.00 0.00 O ATOM 591 OE2 GLU A 34 -6.870 4.807 7.980 1.00 0.00 O ATOM 0 H GLU A 34 -4.730 7.202 2.469 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.429 7.017 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.688 5.954 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.788 4.659 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.015 6.716 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.597 6.598 5.823 1.00 0.00 H new ATOM 598 N LYS A 35 -2.909 4.998 5.031 1.00 0.00 N ATOM 599 CA LYS A 35 -1.767 4.103 4.682 1.00 0.00 C ATOM 600 C LYS A 35 -2.241 2.650 4.582 1.00 0.00 C ATOM 601 O LYS A 35 -2.567 2.023 5.570 1.00 0.00 O ATOM 602 CB LYS A 35 -0.765 4.268 5.826 1.00 0.00 C ATOM 603 CG LYS A 35 -1.412 3.854 7.150 1.00 0.00 C ATOM 604 CD LYS A 35 -1.265 4.989 8.165 1.00 0.00 C ATOM 605 CE LYS A 35 -1.880 4.564 9.500 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.721 4.191 10.358 1.00 0.00 N ATOM 0 H LYS A 35 -3.120 5.068 6.026 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.326 4.357 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.119 3.659 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.432 5.304 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.466 3.624 6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.940 2.948 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.212 5.236 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.758 5.888 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.456 5.375 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.562 3.723 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.064 3.888 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.196 3.412 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.093 5.012 10.469 1.00 0.00 H new ATOM 620 N ILE A 36 -2.280 2.106 3.395 1.00 0.00 N ATOM 621 CA ILE A 36 -2.734 0.687 3.248 1.00 0.00 C ATOM 622 C ILE A 36 -1.545 -0.239 3.105 1.00 0.00 C ATOM 623 O ILE A 36 -1.570 -1.369 3.552 1.00 0.00 O ATOM 624 CB ILE A 36 -3.578 0.655 1.976 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.718 1.055 0.768 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.744 1.627 2.115 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.547 0.966 -0.504 1.00 0.00 C ATOM 0 H ILE A 36 -2.021 2.575 2.527 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.298 0.356 4.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.960 -0.355 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.341 2.070 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.850 0.400 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.347 1.604 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.360 1.337 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.361 2.635 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.933 1.251 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.902 -0.056 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.401 1.640 -0.430 1.00 0.00 H new ATOM 639 N GLY A 37 -0.520 0.210 2.456 1.00 0.00 N ATOM 640 CA GLY A 37 0.644 -0.673 2.255 1.00 0.00 C ATOM 641 C GLY A 37 1.920 -0.089 2.846 1.00 0.00 C ATOM 642 O GLY A 37 2.015 1.078 3.168 1.00 0.00 O ATOM 0 H GLY A 37 -0.438 1.146 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.445 -1.643 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.786 -0.846 1.188 1.00 0.00 H new ATOM 646 N TYR A 38 2.918 -0.920 2.932 1.00 0.00 N ATOM 647 CA TYR A 38 4.250 -0.489 3.435 1.00 0.00 C ATOM 648 C TYR A 38 5.332 -1.187 2.595 1.00 0.00 C ATOM 649 O TYR A 38 5.429 -2.398 2.595 1.00 0.00 O ATOM 650 CB TYR A 38 4.294 -0.956 4.892 1.00 0.00 C ATOM 651 CG TYR A 38 5.683 -0.760 5.452 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.186 0.532 5.637 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.463 -1.873 5.790 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.473 0.712 6.159 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.749 -1.693 6.311 1.00 0.00 C ATOM 656 CZ TYR A 38 8.255 -0.401 6.497 1.00 0.00 C ATOM 657 OH TYR A 38 9.525 -0.228 7.013 1.00 0.00 O ATOM 0 H TYR A 38 2.865 -1.904 2.668 1.00 0.00 H new ATOM 0 HA TYR A 38 4.417 0.586 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.571 -0.396 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.012 -2.007 4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.583 1.389 5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.072 -2.870 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.863 1.709 6.301 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.352 -2.551 6.570 1.00 0.00 H new ATOM 0 HH TYR A 38 9.927 -1.103 7.193 1.00 0.00 H new ATOM 667 N TYR A 39 6.148 -0.451 1.880 1.00 0.00 N ATOM 668 CA TYR A 39 7.205 -1.118 1.061 1.00 0.00 C ATOM 669 C TYR A 39 8.578 -0.856 1.687 1.00 0.00 C ATOM 670 O TYR A 39 8.843 0.220 2.185 1.00 0.00 O ATOM 671 CB TYR A 39 7.133 -0.492 -0.340 1.00 0.00 C ATOM 672 CG TYR A 39 8.285 -0.992 -1.196 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.724 -2.321 -1.085 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.913 -0.128 -2.102 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.785 -2.780 -1.877 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.975 -0.592 -2.892 1.00 0.00 C ATOM 677 CZ TYR A 39 10.409 -1.915 -2.778 1.00 0.00 C ATOM 678 OH TYR A 39 11.451 -2.370 -3.559 1.00 0.00 O ATOM 0 H TYR A 39 6.129 0.568 1.828 1.00 0.00 H new ATOM 0 HA TYR A 39 7.055 -2.197 1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.183 -0.745 -0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.172 0.595 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.243 -2.991 -0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.580 0.895 -2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.120 -3.803 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.458 0.075 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 39 11.772 -1.643 -4.132 1.00 0.00 H new ATOM 688 N ASP A 40 9.457 -1.818 1.663 1.00 0.00 N ATOM 689 CA ASP A 40 10.807 -1.598 2.256 1.00 0.00 C ATOM 690 C ASP A 40 11.890 -2.132 1.313 1.00 0.00 C ATOM 691 O ASP A 40 12.363 -3.236 1.480 1.00 0.00 O ATOM 692 CB ASP A 40 10.799 -2.384 3.567 1.00 0.00 C ATOM 693 CG ASP A 40 11.988 -1.954 4.428 1.00 0.00 C ATOM 694 OD1 ASP A 40 12.924 -1.399 3.877 1.00 0.00 O ATOM 695 OD2 ASP A 40 11.942 -2.187 5.625 1.00 0.00 O ATOM 0 H ASP A 40 9.302 -2.742 1.261 1.00 0.00 H new ATOM 0 HA ASP A 40 11.020 -0.542 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.866 -2.208 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.853 -3.453 3.362 1.00 0.00 H new ATOM 838 N LEU A 49 7.773 -6.633 2.122 1.00 0.00 N ATOM 839 CA LEU A 49 6.464 -6.006 1.781 1.00 0.00 C ATOM 840 C LEU A 49 5.436 -6.256 2.885 1.00 0.00 C ATOM 841 O LEU A 49 5.178 -7.380 3.268 1.00 0.00 O ATOM 842 CB LEU A 49 6.017 -6.688 0.490 1.00 0.00 C ATOM 843 CG LEU A 49 4.824 -5.931 -0.095 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.016 -5.751 -1.599 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.544 -6.725 0.167 1.00 0.00 C ATOM 0 HA LEU A 49 6.555 -4.925 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.837 -6.707 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.743 -7.724 0.689 1.00 0.00 H new ATOM 0 HG LEU A 49 4.749 -4.951 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.164 -5.211 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.929 -5.185 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.092 -6.728 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.691 -6.188 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.621 -7.705 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.406 -6.849 1.241 1.00 0.00 H new ATOM 857 N LYS A 50 4.834 -5.214 3.384 1.00 0.00 N ATOM 858 CA LYS A 50 3.804 -5.381 4.446 1.00 0.00 C ATOM 859 C LYS A 50 2.560 -4.576 4.069 1.00 0.00 C ATOM 860 O LYS A 50 2.436 -3.417 4.412 1.00 0.00 O ATOM 861 CB LYS A 50 4.441 -4.824 5.721 1.00 0.00 C ATOM 862 CG LYS A 50 3.747 -5.432 6.940 1.00 0.00 C ATOM 863 CD LYS A 50 4.748 -5.557 8.091 1.00 0.00 C ATOM 864 CE LYS A 50 4.894 -7.029 8.485 1.00 0.00 C ATOM 865 NZ LYS A 50 6.167 -7.472 7.849 1.00 0.00 N ATOM 0 H LYS A 50 5.011 -4.250 3.101 1.00 0.00 H new ATOM 0 HA LYS A 50 3.499 -6.419 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.506 -5.057 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.352 -3.738 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.906 -4.807 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.342 -6.412 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.715 -5.152 7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.409 -4.973 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.932 -7.146 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.049 -7.619 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.337 -8.473 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.099 -7.355 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.954 -6.897 8.211 1.00 0.00 H new ATOM 879 N VAL A 51 1.644 -5.169 3.350 1.00 0.00 N ATOM 880 CA VAL A 51 0.428 -4.410 2.948 1.00 0.00 C ATOM 881 C VAL A 51 -0.829 -5.027 3.554 1.00 0.00 C ATOM 882 O VAL A 51 -1.034 -6.224 3.519 1.00 0.00 O ATOM 883 CB VAL A 51 0.391 -4.481 1.398 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.042 -4.675 0.868 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.915 -3.179 0.815 1.00 0.00 C ATOM 0 H VAL A 51 1.685 -6.136 3.027 1.00 0.00 H new ATOM 0 HA VAL A 51 0.461 -3.380 3.304 1.00 0.00 H new ATOM 0 HB VAL A 51 1.006 -5.331 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.024 -4.720 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.453 -5.604 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.664 -3.839 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.888 -3.231 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.292 -2.352 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.941 -3.019 1.145 1.00 0.00 H new ATOM 895 N ASP A 52 -1.703 -4.200 4.034 1.00 0.00 N ATOM 896 CA ASP A 52 -2.984 -4.713 4.556 1.00 0.00 C ATOM 897 C ASP A 52 -3.894 -4.903 3.347 1.00 0.00 C ATOM 898 O ASP A 52 -4.814 -4.140 3.138 1.00 0.00 O ATOM 899 CB ASP A 52 -3.514 -3.611 5.476 1.00 0.00 C ATOM 900 CG ASP A 52 -4.317 -4.235 6.619 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.173 -5.427 6.838 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.062 -3.510 7.257 1.00 0.00 O ATOM 0 H ASP A 52 -1.584 -3.188 4.087 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.909 -5.654 5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.684 -3.029 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.142 -2.923 4.911 1.00 0.00 H new ATOM 907 N VAL A 53 -3.598 -5.887 2.520 1.00 0.00 N ATOM 908 CA VAL A 53 -4.401 -6.124 1.271 1.00 0.00 C ATOM 909 C VAL A 53 -5.894 -5.853 1.509 1.00 0.00 C ATOM 910 O VAL A 53 -6.593 -5.425 0.616 1.00 0.00 O ATOM 911 CB VAL A 53 -4.116 -7.586 0.833 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.974 -8.516 2.039 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.239 -8.109 -0.074 1.00 0.00 C ATOM 0 H VAL A 53 -2.827 -6.541 2.660 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.113 -5.437 0.475 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.175 -7.578 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.775 -9.531 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.148 -8.177 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.897 -8.504 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.020 -9.135 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.185 -8.081 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.310 -7.483 -0.963 1.00 0.00 H new ATOM 923 N GLU A 54 -6.382 -6.054 2.701 1.00 0.00 N ATOM 924 CA GLU A 54 -7.814 -5.751 2.954 1.00 0.00 C ATOM 925 C GLU A 54 -8.044 -4.254 2.749 1.00 0.00 C ATOM 926 O GLU A 54 -8.934 -3.842 2.031 1.00 0.00 O ATOM 927 CB GLU A 54 -8.074 -6.158 4.406 1.00 0.00 C ATOM 928 CG GLU A 54 -7.666 -7.619 4.609 1.00 0.00 C ATOM 929 CD GLU A 54 -8.565 -8.260 5.668 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.772 -7.638 6.697 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.031 -9.362 5.432 1.00 0.00 O ATOM 0 H GLU A 54 -5.858 -6.410 3.500 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.486 -6.283 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.510 -5.515 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.129 -6.027 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.749 -8.164 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.623 -7.676 4.920 1.00 0.00 H new ATOM 938 N ARG A 55 -7.227 -3.438 3.353 1.00 0.00 N ATOM 939 CA ARG A 55 -7.368 -1.971 3.174 1.00 0.00 C ATOM 940 C ARG A 55 -6.781 -1.581 1.817 1.00 0.00 C ATOM 941 O ARG A 55 -7.264 -0.695 1.146 1.00 0.00 O ATOM 942 CB ARG A 55 -6.560 -1.351 4.313 1.00 0.00 C ATOM 943 CG ARG A 55 -7.504 -0.641 5.290 1.00 0.00 C ATOM 944 CD ARG A 55 -7.079 0.822 5.437 1.00 0.00 C ATOM 945 NE ARG A 55 -5.625 0.772 5.776 1.00 0.00 N ATOM 946 CZ ARG A 55 -5.220 0.599 7.013 1.00 0.00 C ATOM 947 NH1 ARG A 55 -6.077 0.443 7.992 1.00 0.00 N ATOM 948 NH2 ARG A 55 -3.942 0.569 7.270 1.00 0.00 N ATOM 0 H ARG A 55 -6.465 -3.728 3.966 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.404 -1.634 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.996 -2.124 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.835 -0.642 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.530 -0.698 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.481 -1.137 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.250 1.377 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.650 1.322 6.220 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.934 0.874 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.079 0.455 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.742 0.310 8.946 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.267 0.679 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.617 0.435 8.228 1.00 0.00 H new ATOM 962 N ALA A 56 -5.756 -2.263 1.387 1.00 0.00 N ATOM 963 CA ALA A 56 -5.175 -1.955 0.062 1.00 0.00 C ATOM 964 C ALA A 56 -6.186 -2.392 -1.004 1.00 0.00 C ATOM 965 O ALA A 56 -6.192 -1.896 -2.114 1.00 0.00 O ATOM 966 CB ALA A 56 -3.866 -2.754 0.003 1.00 0.00 C ATOM 0 H ALA A 56 -5.300 -3.018 1.899 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.967 -0.898 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.375 -2.577 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.209 -2.436 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.083 -3.817 0.108 1.00 0.00 H new ATOM 972 N ARG A 57 -7.074 -3.297 -0.654 1.00 0.00 N ATOM 973 CA ARG A 57 -8.108 -3.734 -1.623 1.00 0.00 C ATOM 974 C ARG A 57 -9.321 -2.800 -1.532 1.00 0.00 C ATOM 975 O ARG A 57 -10.076 -2.651 -2.471 1.00 0.00 O ATOM 976 CB ARG A 57 -8.492 -5.153 -1.205 1.00 0.00 C ATOM 977 CG ARG A 57 -9.637 -5.653 -2.086 1.00 0.00 C ATOM 978 CD ARG A 57 -9.353 -7.093 -2.522 1.00 0.00 C ATOM 979 NE ARG A 57 -10.696 -7.709 -2.717 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.420 -8.087 -1.690 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.988 -7.923 -0.463 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.588 -8.630 -1.893 1.00 0.00 N ATOM 0 H ARG A 57 -7.119 -3.745 0.261 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.748 -3.708 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.632 -5.816 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.793 -5.166 -0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.578 -5.606 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.744 -5.011 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.770 -7.119 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.779 -7.629 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.057 -7.839 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.077 -7.496 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.563 -8.222 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.932 -8.758 -2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.157 -8.927 -1.100 1.00 0.00 H new ATOM 996 N TYR A 58 -9.488 -2.147 -0.408 1.00 0.00 N ATOM 997 CA TYR A 58 -10.618 -1.191 -0.235 1.00 0.00 C ATOM 998 C TYR A 58 -10.473 -0.135 -1.307 1.00 0.00 C ATOM 999 O TYR A 58 -11.381 0.199 -2.047 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.372 -0.597 1.166 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.828 0.851 1.273 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.054 1.243 0.727 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.022 1.796 1.930 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.478 2.573 0.833 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.449 3.124 2.039 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.676 3.513 1.491 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.097 4.822 1.600 1.00 0.00 O ATOM 0 H TYR A 58 -8.880 -2.239 0.405 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.614 -1.626 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.899 -1.196 1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.310 -0.658 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.675 0.518 0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.073 1.497 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.424 2.874 0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.831 3.849 2.547 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.402 5.419 1.252 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.299 0.378 -1.370 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.985 1.416 -2.358 1.00 0.00 C ATOM 1019 C TRP A 59 -9.148 0.845 -3.748 1.00 0.00 C ATOM 1020 O TRP A 59 -9.917 1.335 -4.547 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.554 1.790 -2.036 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.617 2.583 -0.790 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.166 2.210 0.425 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.234 3.868 -0.626 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.451 3.222 1.329 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.115 4.272 0.718 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.869 4.715 -1.532 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.624 5.493 1.154 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.385 5.942 -1.106 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.263 6.333 0.234 1.00 0.00 C ATOM 0 H TRP A 59 -8.522 0.116 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.635 2.290 -2.323 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.938 0.901 -1.903 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.109 2.368 -2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.667 1.280 0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.203 3.196 2.318 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.963 4.422 -2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.527 5.788 2.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.880 6.592 -1.813 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.662 7.283 0.557 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.477 -0.228 -4.025 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.649 -0.875 -5.354 1.00 0.00 C ATOM 1043 C LEU A 60 -10.148 -1.113 -5.584 1.00 0.00 C ATOM 1044 O LEU A 60 -10.610 -1.210 -6.704 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.892 -2.201 -5.260 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.388 -1.937 -5.349 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.620 -3.173 -4.881 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.013 -1.625 -6.800 1.00 0.00 C ATOM 0 H LEU A 60 -7.819 -0.687 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.273 -0.272 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.129 -2.702 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.203 -2.868 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.131 -1.090 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.549 -2.982 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.887 -3.398 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.876 -4.022 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.941 -1.436 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.272 -2.474 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.558 -0.743 -7.135 1.00 0.00 H new ATOM 1060 N SER A 61 -10.913 -1.186 -4.516 1.00 0.00 N ATOM 1061 CA SER A 61 -12.378 -1.390 -4.655 1.00 0.00 C ATOM 1062 C SER A 61 -13.062 -0.068 -5.027 1.00 0.00 C ATOM 1063 O SER A 61 -14.166 -0.056 -5.532 1.00 0.00 O ATOM 1064 CB SER A 61 -12.858 -1.874 -3.287 1.00 0.00 C ATOM 1065 OG SER A 61 -13.267 -3.231 -3.386 1.00 0.00 O ATOM 0 H SER A 61 -10.577 -1.112 -3.556 1.00 0.00 H new ATOM 0 HA SER A 61 -12.616 -2.108 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.058 -1.776 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.687 -1.257 -2.940 1.00 0.00 H new ATOM 0 HG SER A 61 -13.574 -3.545 -2.510 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.415 1.049 -4.790 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.041 2.348 -5.143 1.00 0.00 C ATOM 1073 C VAL A 62 -12.492 2.825 -6.489 1.00 0.00 C ATOM 1074 O VAL A 62 -12.355 4.005 -6.742 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.672 3.335 -4.011 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.897 2.691 -2.639 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.203 3.776 -4.118 1.00 0.00 C ATOM 0 H VAL A 62 -11.487 1.110 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.124 2.268 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.317 4.208 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.632 3.401 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.946 2.412 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.274 1.801 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.972 4.470 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.555 2.903 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.040 4.269 -5.077 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.174 1.900 -7.344 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.626 2.267 -8.678 1.00 0.00 C ATOM 1089 C GLY A 63 -10.208 2.818 -8.515 1.00 0.00 C ATOM 1090 O GLY A 63 -9.714 3.541 -9.357 1.00 0.00 O ATOM 0 H GLY A 63 -12.270 0.898 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.615 1.394 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.265 3.012 -9.152 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.548 2.485 -7.437 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.165 2.994 -7.225 1.00 0.00 C ATOM 1096 C ALA A 64 -7.198 2.304 -8.191 1.00 0.00 C ATOM 1097 O ALA A 64 -7.158 1.093 -8.283 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.827 2.635 -5.776 1.00 0.00 C ATOM 0 H ALA A 64 -9.908 1.883 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.085 4.066 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.819 2.978 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.539 3.117 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.881 1.554 -5.647 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.417 3.060 -8.912 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.457 2.439 -9.869 1.00 0.00 C ATOM 1106 C GLN A 65 -4.047 2.408 -9.260 1.00 0.00 C ATOM 1107 O GLN A 65 -3.495 3.442 -8.939 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.488 3.339 -11.105 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.875 3.275 -11.746 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.854 2.292 -12.918 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.286 1.222 -12.820 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.455 2.612 -14.032 1.00 0.00 N ATOM 0 H GLN A 65 -6.401 4.079 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.722 1.409 -10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.251 4.366 -10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.730 3.020 -11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.613 2.961 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.172 4.264 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.932 3.510 -14.115 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.448 1.964 -14.820 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.504 1.222 -9.116 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.149 1.081 -8.540 1.00 0.00 C ATOM 1123 C PRO A 66 -1.082 1.295 -9.623 1.00 0.00 C ATOM 1124 O PRO A 66 -1.275 0.950 -10.771 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.127 -0.359 -8.043 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.129 -1.094 -8.883 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.089 -0.080 -9.460 1.00 0.00 C ATOM 0 HA PRO A 66 -1.938 1.807 -7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.133 -0.794 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.388 -0.412 -6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.628 -1.642 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.666 -1.827 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.188 -0.197 -10.539 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.086 -0.191 -9.034 1.00 0.00 H new ATOM 1135 N THR A 67 0.044 1.857 -9.268 1.00 0.00 N ATOM 1136 CA THR A 67 1.117 2.084 -10.285 1.00 0.00 C ATOM 1137 C THR A 67 1.749 0.747 -10.687 1.00 0.00 C ATOM 1138 O THR A 67 1.663 -0.223 -9.972 1.00 0.00 O ATOM 1139 CB THR A 67 2.145 2.982 -9.595 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.173 2.693 -8.205 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.765 4.449 -9.809 1.00 0.00 C ATOM 0 H THR A 67 0.268 2.168 -8.323 1.00 0.00 H new ATOM 0 HA THR A 67 0.732 2.542 -11.196 1.00 0.00 H new ATOM 0 HB THR A 67 3.132 2.798 -10.020 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.833 3.268 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.497 5.090 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.749 4.669 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.778 4.635 -9.386 1.00 0.00 H new ATOM 1149 N ASP A 68 2.373 0.683 -11.829 1.00 0.00 N ATOM 1150 CA ASP A 68 2.990 -0.605 -12.267 1.00 0.00 C ATOM 1151 C ASP A 68 3.972 -1.137 -11.214 1.00 0.00 C ATOM 1152 O ASP A 68 4.216 -2.324 -11.130 1.00 0.00 O ATOM 1153 CB ASP A 68 3.727 -0.273 -13.565 1.00 0.00 C ATOM 1154 CG ASP A 68 3.868 -1.540 -14.409 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.082 -2.452 -14.211 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.759 -1.578 -15.243 1.00 0.00 O ATOM 0 H ASP A 68 2.484 1.462 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 68 2.238 -1.382 -12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.181 0.489 -14.121 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.711 0.140 -13.342 1.00 0.00 H new ATOM 1161 N THR A 69 4.541 -0.275 -10.419 1.00 0.00 N ATOM 1162 CA THR A 69 5.511 -0.741 -9.383 1.00 0.00 C ATOM 1163 C THR A 69 4.793 -1.047 -8.070 1.00 0.00 C ATOM 1164 O THR A 69 4.990 -2.083 -7.467 1.00 0.00 O ATOM 1165 CB THR A 69 6.454 0.427 -9.183 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.878 0.922 -10.446 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.671 -0.010 -8.360 1.00 0.00 C ATOM 0 H THR A 69 4.378 0.732 -10.440 1.00 0.00 H new ATOM 0 HA THR A 69 6.024 -1.652 -9.691 1.00 0.00 H new ATOM 0 HB THR A 69 5.930 1.216 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.487 1.679 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.341 0.839 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.341 -0.372 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.198 -0.807 -8.884 1.00 0.00 H new ATOM 1175 N ALA A 70 3.961 -0.149 -7.621 1.00 0.00 N ATOM 1176 CA ALA A 70 3.236 -0.386 -6.352 1.00 0.00 C ATOM 1177 C ALA A 70 2.197 -1.468 -6.577 1.00 0.00 C ATOM 1178 O ALA A 70 1.841 -2.201 -5.676 1.00 0.00 O ATOM 1179 CB ALA A 70 2.574 0.945 -6.008 1.00 0.00 C ATOM 0 H ALA A 70 3.755 0.738 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 70 3.888 -0.717 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.017 0.844 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.339 1.713 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.892 1.230 -6.809 1.00 0.00 H new ATOM 1185 N ARG A 71 1.731 -1.602 -7.788 1.00 0.00 N ATOM 1186 CA ARG A 71 0.751 -2.664 -8.072 1.00 0.00 C ATOM 1187 C ARG A 71 1.482 -3.981 -7.929 1.00 0.00 C ATOM 1188 O ARG A 71 0.955 -4.952 -7.424 1.00 0.00 O ATOM 1189 CB ARG A 71 0.285 -2.450 -9.515 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.838 -3.438 -9.839 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.433 -3.101 -11.209 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.614 -3.876 -12.184 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.924 -3.891 -13.460 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.960 -3.227 -13.910 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.191 -4.578 -14.291 1.00 0.00 N ATOM 0 H ARG A 71 1.991 -1.020 -8.584 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.110 -2.654 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.067 -1.427 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.119 -2.592 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.452 -4.457 -9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.612 -3.390 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.484 -3.384 -11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.380 -2.031 -11.411 1.00 0.00 H new ATOM 0 HE ARG A 71 0.197 -4.401 -11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.539 -2.688 -13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.187 -3.249 -14.904 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.616 -5.099 -13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.425 -4.595 -15.284 1.00 0.00 H new ATOM 1209 N ARG A 72 2.724 -4.004 -8.338 1.00 0.00 N ATOM 1210 CA ARG A 72 3.513 -5.245 -8.193 1.00 0.00 C ATOM 1211 C ARG A 72 3.581 -5.590 -6.710 1.00 0.00 C ATOM 1212 O ARG A 72 3.540 -6.739 -6.316 1.00 0.00 O ATOM 1213 CB ARG A 72 4.898 -4.917 -8.748 1.00 0.00 C ATOM 1214 CG ARG A 72 5.260 -5.931 -9.831 1.00 0.00 C ATOM 1215 CD ARG A 72 6.777 -5.966 -10.014 1.00 0.00 C ATOM 1216 NE ARG A 72 7.047 -7.248 -10.729 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.939 -8.399 -10.108 1.00 0.00 C ATOM 1218 NH1 ARG A 72 6.609 -8.453 -8.842 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.168 -9.506 -10.761 1.00 0.00 N ATOM 0 H ARG A 72 3.216 -3.218 -8.763 1.00 0.00 H new ATOM 0 HA ARG A 72 3.084 -6.097 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.908 -3.908 -9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.638 -4.942 -7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.894 -6.920 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.776 -5.663 -10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.125 -5.110 -10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.292 -5.933 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 72 7.319 -7.229 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.432 -7.592 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.529 -9.356 -8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.429 -9.472 -11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.086 -10.405 -10.286 1.00 0.00 H new ATOM 1233 N LEU A 73 3.657 -4.582 -5.886 1.00 0.00 N ATOM 1234 CA LEU A 73 3.697 -4.808 -4.429 1.00 0.00 C ATOM 1235 C LEU A 73 2.312 -5.227 -3.961 1.00 0.00 C ATOM 1236 O LEU A 73 2.166 -6.100 -3.133 1.00 0.00 O ATOM 1237 CB LEU A 73 4.106 -3.466 -3.825 1.00 0.00 C ATOM 1238 CG LEU A 73 5.444 -3.032 -4.425 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.674 -1.547 -4.141 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.576 -3.848 -3.799 1.00 0.00 C ATOM 0 H LEU A 73 3.693 -3.603 -6.171 1.00 0.00 H new ATOM 0 HA LEU A 73 4.393 -5.593 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.342 -2.715 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.190 -3.552 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 73 5.427 -3.200 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.628 -1.238 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.870 -0.962 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.689 -1.381 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.529 -3.537 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.592 -3.682 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.416 -4.907 -4.001 1.00 0.00 H new ATOM 1252 N LEU A 74 1.283 -4.641 -4.515 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.081 -5.057 -4.120 1.00 0.00 C ATOM 1254 C LEU A 74 -0.246 -6.518 -4.528 1.00 0.00 C ATOM 1255 O LEU A 74 -0.970 -7.277 -3.915 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.038 -4.155 -4.897 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.951 -2.740 -4.341 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.895 -1.824 -5.120 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.348 -2.746 -2.864 1.00 0.00 C ATOM 0 H LEU A 74 1.333 -3.901 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.273 -4.969 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.782 -4.159 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.058 -4.529 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 74 0.071 -2.375 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.831 -0.812 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.610 -1.818 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.918 -2.189 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.286 -1.733 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.369 -3.113 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.672 -3.396 -2.308 1.00 0.00 H new ATOM 1271 N ARG A 75 0.459 -6.916 -5.556 1.00 0.00 N ATOM 1272 CA ARG A 75 0.398 -8.321 -6.014 1.00 0.00 C ATOM 1273 C ARG A 75 1.235 -9.165 -5.070 1.00 0.00 C ATOM 1274 O ARG A 75 0.944 -10.315 -4.809 1.00 0.00 O ATOM 1275 CB ARG A 75 1.017 -8.310 -7.412 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.049 -8.666 -8.443 1.00 0.00 C ATOM 1277 CD ARG A 75 0.586 -8.709 -9.835 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.448 -8.139 -10.748 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.118 -7.672 -11.931 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.126 -7.691 -12.341 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -1.044 -7.180 -12.708 1.00 0.00 N ATOM 0 H ARG A 75 1.079 -6.314 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.613 -8.728 -6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.434 -7.327 -7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.840 -9.023 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.494 -9.632 -8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.853 -7.930 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.506 -8.126 -9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.845 -9.729 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.423 -8.112 -10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.856 -8.072 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.365 -7.324 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.015 -7.160 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.797 -6.815 -13.628 1.00 0.00 H new ATOM 1295 N GLN A 76 2.277 -8.584 -4.549 1.00 0.00 N ATOM 1296 CA GLN A 76 3.143 -9.319 -3.615 1.00 0.00 C ATOM 1297 C GLN A 76 2.471 -9.401 -2.259 1.00 0.00 C ATOM 1298 O GLN A 76 2.612 -10.359 -1.524 1.00 0.00 O ATOM 1299 CB GLN A 76 4.412 -8.484 -3.559 1.00 0.00 C ATOM 1300 CG GLN A 76 5.563 -9.320 -3.002 1.00 0.00 C ATOM 1301 CD GLN A 76 6.600 -9.550 -4.102 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.786 -9.589 -3.838 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.199 -9.708 -5.334 1.00 0.00 N ATOM 0 H GLN A 76 2.561 -7.623 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 76 3.347 -10.345 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.664 -8.122 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.252 -7.606 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.022 -8.810 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.189 -10.275 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.204 -9.675 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.881 -9.864 -6.076 1.00 0.00 H new ATOM 1312 N ALA A 77 1.726 -8.400 -1.942 1.00 0.00 N ATOM 1313 CA ALA A 77 1.004 -8.379 -0.650 1.00 0.00 C ATOM 1314 C ALA A 77 -0.131 -9.412 -0.657 1.00 0.00 C ATOM 1315 O ALA A 77 -0.762 -9.658 0.352 1.00 0.00 O ATOM 1316 CB ALA A 77 0.433 -6.969 -0.547 1.00 0.00 C ATOM 0 H ALA A 77 1.581 -7.579 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 77 1.654 -8.625 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.120 -6.868 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.247 -6.244 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.237 -6.785 -1.387 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.399 -10.013 -1.787 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.496 -11.018 -1.857 1.00 0.00 C ATOM 1324 C GLY A 78 -2.830 -10.302 -2.086 1.00 0.00 C ATOM 1325 O GLY A 78 -3.832 -10.631 -1.482 1.00 0.00 O ATOM 0 H GLY A 78 0.096 -9.850 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.306 -11.724 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.535 -11.595 -0.933 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.852 -9.321 -2.950 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.118 -8.584 -3.209 1.00 0.00 C ATOM 1331 C VAL A 79 -4.782 -9.063 -4.506 1.00 0.00 C ATOM 1332 O VAL A 79 -5.881 -8.658 -4.832 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.718 -7.120 -3.337 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.977 -6.262 -3.481 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.942 -6.680 -2.092 1.00 0.00 C ATOM 0 H VAL A 79 -2.046 -9.000 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.839 -8.747 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.085 -6.996 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.694 -5.213 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.527 -6.569 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.608 -6.392 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.659 -5.632 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.569 -6.805 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.044 -7.290 -1.988 1.00 0.00 H new