USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -123:sc= 0.381 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0768 K(o=-0.077,f=-1.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.450 8.392 -6.924 1.00 0.00 N ATOM 21 CA VAL A 2 -7.796 7.532 -5.896 1.00 0.00 C ATOM 22 C VAL A 2 -6.658 6.725 -6.525 1.00 0.00 C ATOM 23 O VAL A 2 -6.864 5.957 -7.442 1.00 0.00 O ATOM 24 CB VAL A 2 -8.899 6.599 -5.406 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.335 5.666 -4.335 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.040 7.427 -4.812 1.00 0.00 C ATOM 0 HA VAL A 2 -7.361 8.117 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.276 6.009 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.121 4.998 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.521 5.077 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.960 6.256 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.829 6.761 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.665 8.017 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.441 8.094 -5.575 1.00 0.00 H new ATOM 36 N LYS A 3 -5.458 6.895 -6.042 1.00 0.00 N ATOM 37 CA LYS A 3 -4.313 6.135 -6.621 1.00 0.00 C ATOM 38 C LYS A 3 -3.354 5.672 -5.518 1.00 0.00 C ATOM 39 O LYS A 3 -2.917 6.454 -4.697 1.00 0.00 O ATOM 40 CB LYS A 3 -3.611 7.131 -7.546 1.00 0.00 C ATOM 41 CG LYS A 3 -3.992 6.843 -8.998 1.00 0.00 C ATOM 42 CD LYS A 3 -3.030 7.576 -9.934 1.00 0.00 C ATOM 43 CE LYS A 3 -1.711 6.805 -10.016 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.437 6.665 -11.473 1.00 0.00 N ATOM 0 H LYS A 3 -5.221 7.524 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.643 5.239 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.894 8.150 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.531 7.058 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.955 5.770 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.016 7.165 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.471 7.669 -10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.850 8.587 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.907 7.343 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.793 5.831 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.547 6.146 -11.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.215 6.143 -11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.358 7.608 -11.904 1.00 0.00 H new ATOM 58 N ILE A 4 -3.001 4.412 -5.505 1.00 0.00 N ATOM 59 CA ILE A 4 -2.050 3.922 -4.472 1.00 0.00 C ATOM 60 C ILE A 4 -0.653 3.793 -5.095 1.00 0.00 C ATOM 61 O ILE A 4 -0.496 3.250 -6.170 1.00 0.00 O ATOM 62 CB ILE A 4 -2.590 2.571 -4.008 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.930 2.771 -3.299 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.597 1.927 -3.040 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.717 1.463 -3.345 1.00 0.00 C ATOM 0 H ILE A 4 -3.331 3.707 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.962 4.602 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.728 1.923 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.767 3.076 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.496 3.568 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.984 0.963 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.641 1.781 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.457 2.577 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.674 1.597 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.889 1.178 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.150 0.679 -2.843 1.00 0.00 H new ATOM 77 N ARG A 5 0.361 4.303 -4.443 1.00 0.00 N ATOM 78 CA ARG A 5 1.731 4.222 -5.023 1.00 0.00 C ATOM 79 C ARG A 5 2.791 4.189 -3.920 1.00 0.00 C ATOM 80 O ARG A 5 2.486 4.038 -2.758 1.00 0.00 O ATOM 81 CB ARG A 5 1.881 5.487 -5.871 1.00 0.00 C ATOM 82 CG ARG A 5 1.776 6.721 -4.973 1.00 0.00 C ATOM 83 CD ARG A 5 1.572 7.966 -5.840 1.00 0.00 C ATOM 84 NE ARG A 5 2.728 7.972 -6.784 1.00 0.00 N ATOM 85 CZ ARG A 5 3.923 8.338 -6.382 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.136 8.691 -5.138 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.913 8.345 -7.232 1.00 0.00 N ATOM 0 H ARG A 5 0.298 4.770 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 5 1.867 3.314 -5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.842 5.480 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.108 5.516 -6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.944 6.608 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.680 6.826 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.624 7.922 -6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.553 8.871 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 5 2.588 7.688 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.368 8.684 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.070 8.973 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.755 8.067 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.844 8.628 -6.928 1.00 0.00 H new ATOM 101 N LEU A 6 4.039 4.331 -4.283 1.00 0.00 N ATOM 102 CA LEU A 6 5.130 4.296 -3.270 1.00 0.00 C ATOM 103 C LEU A 6 5.400 5.693 -2.706 1.00 0.00 C ATOM 104 O LEU A 6 5.633 6.637 -3.433 1.00 0.00 O ATOM 105 CB LEU A 6 6.345 3.794 -4.047 1.00 0.00 C ATOM 106 CG LEU A 6 6.202 2.293 -4.293 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.164 2.041 -5.388 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.549 1.718 -4.734 1.00 0.00 C ATOM 0 H LEU A 6 4.349 4.471 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 6 4.881 3.665 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.428 4.323 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.258 3.997 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 6 5.879 1.810 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.067 0.969 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.201 2.447 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.482 2.527 -6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.447 0.647 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.870 2.208 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.291 1.889 -3.954 1.00 0.00 H new ATOM 120 N ALA A 7 5.358 5.826 -1.408 1.00 0.00 N ATOM 121 CA ALA A 7 5.598 7.153 -0.772 1.00 0.00 C ATOM 122 C ALA A 7 7.027 7.254 -0.242 1.00 0.00 C ATOM 123 O ALA A 7 7.375 6.631 0.732 1.00 0.00 O ATOM 124 CB ALA A 7 4.612 7.181 0.388 1.00 0.00 C ATOM 0 H ALA A 7 5.166 5.066 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 7 5.468 7.979 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.709 8.124 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.596 7.085 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.824 6.354 1.066 1.00 0.00 H new ATOM 130 N ARG A 8 7.858 8.034 -0.872 1.00 0.00 N ATOM 131 CA ARG A 8 9.263 8.156 -0.395 1.00 0.00 C ATOM 132 C ARG A 8 9.365 9.070 0.832 1.00 0.00 C ATOM 133 O ARG A 8 9.002 10.228 0.793 1.00 0.00 O ATOM 134 CB ARG A 8 10.028 8.750 -1.579 1.00 0.00 C ATOM 135 CG ARG A 8 11.475 9.033 -1.170 1.00 0.00 C ATOM 136 CD ARG A 8 12.204 9.724 -2.324 1.00 0.00 C ATOM 137 NE ARG A 8 13.413 10.339 -1.704 1.00 0.00 N ATOM 138 CZ ARG A 8 13.320 11.441 -0.997 1.00 0.00 C ATOM 139 NH1 ARG A 8 12.163 12.026 -0.809 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.397 11.960 -0.474 1.00 0.00 N ATOM 0 H ARG A 8 7.627 8.591 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 8 9.665 7.193 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.007 8.059 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.547 9.670 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.496 9.664 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.980 8.102 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.479 9.011 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.574 10.479 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 8 14.324 9.898 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.317 11.626 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.108 12.882 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.301 11.510 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.335 12.816 0.077 1.00 0.00 H new ATOM 276 N TYR A 17 9.610 3.083 0.984 1.00 0.00 N ATOM 277 CA TYR A 17 8.418 3.843 0.557 1.00 0.00 C ATOM 278 C TYR A 17 7.190 3.077 1.012 1.00 0.00 C ATOM 279 O TYR A 17 7.219 1.868 1.083 1.00 0.00 O ATOM 280 CB TYR A 17 8.429 3.836 -0.967 1.00 0.00 C ATOM 281 CG TYR A 17 9.708 4.389 -1.549 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.595 5.140 -0.774 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.992 4.148 -2.895 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.760 5.652 -1.341 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.157 4.655 -3.466 1.00 0.00 C ATOM 286 CZ TYR A 17 12.045 5.409 -2.691 1.00 0.00 C ATOM 287 OH TYR A 17 13.199 5.913 -3.255 1.00 0.00 O ATOM 0 HA TYR A 17 8.413 4.855 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.286 2.815 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.586 4.422 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.377 5.324 0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.307 3.567 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.442 6.235 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.375 4.466 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 17 13.243 5.651 -4.198 1.00 0.00 H new ATOM 297 N ARG A 18 6.100 3.728 1.276 1.00 0.00 N ATOM 298 CA ARG A 18 4.901 2.945 1.659 1.00 0.00 C ATOM 299 C ARG A 18 3.993 2.856 0.449 1.00 0.00 C ATOM 300 O ARG A 18 4.074 3.662 -0.457 1.00 0.00 O ATOM 301 CB ARG A 18 4.212 3.694 2.795 1.00 0.00 C ATOM 302 CG ARG A 18 4.957 3.440 4.107 1.00 0.00 C ATOM 303 CD ARG A 18 4.593 4.526 5.122 1.00 0.00 C ATOM 304 NE ARG A 18 3.891 3.798 6.219 1.00 0.00 N ATOM 305 CZ ARG A 18 3.524 4.418 7.314 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.764 5.696 7.480 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.911 3.750 8.253 1.00 0.00 N ATOM 0 H ARG A 18 5.986 4.741 1.245 1.00 0.00 H new ATOM 0 HA ARG A 18 5.155 1.937 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.190 4.762 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.176 3.366 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.696 2.458 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.033 3.438 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.482 5.037 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.951 5.286 4.676 1.00 0.00 H new ATOM 0 HE ARG A 18 3.694 2.803 6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.243 6.224 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.471 6.163 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.722 2.755 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.621 4.223 9.109 1.00 0.00 H new ATOM 321 N ILE A 19 3.106 1.919 0.438 1.00 0.00 N ATOM 322 CA ILE A 19 2.171 1.820 -0.694 1.00 0.00 C ATOM 323 C ILE A 19 0.912 2.492 -0.178 1.00 0.00 C ATOM 324 O ILE A 19 -0.004 1.869 0.321 1.00 0.00 O ATOM 325 CB ILE A 19 1.970 0.326 -1.002 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.131 -0.538 -0.467 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.925 0.136 -2.514 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.900 -2.004 -0.833 1.00 0.00 C ATOM 0 H ILE A 19 2.988 1.215 1.167 1.00 0.00 H new ATOM 0 HA ILE A 19 2.502 2.290 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 19 1.044 0.015 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.076 -0.194 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.206 -0.432 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.783 -0.920 -2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.098 0.712 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.862 0.480 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.723 -2.608 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.964 -2.346 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.847 -2.104 -1.917 1.00 0.00 H new ATOM 340 N VAL A 20 0.943 3.795 -0.200 1.00 0.00 N ATOM 341 CA VAL A 20 -0.149 4.600 0.383 1.00 0.00 C ATOM 342 C VAL A 20 -1.146 5.069 -0.684 1.00 0.00 C ATOM 343 O VAL A 20 -0.861 5.078 -1.864 1.00 0.00 O ATOM 344 CB VAL A 20 0.630 5.768 1.045 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.505 7.079 0.257 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.131 5.982 2.468 1.00 0.00 C ATOM 0 H VAL A 20 1.701 4.342 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.777 4.055 1.088 1.00 0.00 H new ATOM 0 HB VAL A 20 1.683 5.488 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.068 7.863 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.902 6.938 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.544 7.368 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.682 6.803 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.932 6.224 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.285 5.072 3.048 1.00 0.00 H new ATOM 356 N VAL A 21 -2.321 5.436 -0.256 1.00 0.00 N ATOM 357 CA VAL A 21 -3.371 5.886 -1.209 1.00 0.00 C ATOM 358 C VAL A 21 -3.474 7.412 -1.173 1.00 0.00 C ATOM 359 O VAL A 21 -3.724 8.000 -0.140 1.00 0.00 O ATOM 360 CB VAL A 21 -4.690 5.242 -0.723 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.529 4.849 -1.933 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.424 3.982 0.103 1.00 0.00 C ATOM 0 H VAL A 21 -2.601 5.443 0.725 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.146 5.594 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.211 5.970 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.461 4.394 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.751 5.737 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.976 4.135 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.372 3.554 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.888 3.254 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.823 4.239 0.975 1.00 0.00 H new ATOM 372 N THR A 22 -3.269 8.059 -2.286 1.00 0.00 N ATOM 373 CA THR A 22 -3.344 9.549 -2.295 1.00 0.00 C ATOM 374 C THR A 22 -4.446 10.011 -3.254 1.00 0.00 C ATOM 375 O THR A 22 -5.140 9.210 -3.848 1.00 0.00 O ATOM 376 CB THR A 22 -1.970 10.046 -2.787 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.910 9.925 -4.201 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.827 9.233 -2.160 1.00 0.00 C ATOM 0 H THR A 22 -3.054 7.626 -3.184 1.00 0.00 H new ATOM 0 HA THR A 22 -3.578 9.944 -1.306 1.00 0.00 H new ATOM 0 HB THR A 22 -1.853 11.088 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.039 10.241 -4.520 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.129 9.607 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.863 9.331 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.935 8.183 -2.433 1.00 0.00 H new ATOM 543 N TYR A 32 -1.768 11.875 1.932 1.00 0.00 N ATOM 544 CA TYR A 32 -2.644 10.849 1.280 1.00 0.00 C ATOM 545 C TYR A 32 -3.915 10.642 2.103 1.00 0.00 C ATOM 546 O TYR A 32 -4.193 11.371 3.035 1.00 0.00 O ATOM 547 CB TYR A 32 -1.847 9.523 1.206 1.00 0.00 C ATOM 548 CG TYR A 32 -0.573 9.580 2.027 1.00 0.00 C ATOM 549 CD1 TYR A 32 0.567 10.193 1.496 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.536 9.028 3.313 1.00 0.00 C ATOM 551 CE1 TYR A 32 1.744 10.254 2.247 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.642 9.089 4.067 1.00 0.00 C ATOM 553 CZ TYR A 32 1.784 9.702 3.533 1.00 0.00 C ATOM 554 OH TYR A 32 2.945 9.763 4.275 1.00 0.00 O ATOM 0 HA TYR A 32 -2.932 11.180 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.472 8.704 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.599 9.306 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.537 10.620 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.416 8.555 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.623 10.727 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.671 8.664 5.059 1.00 0.00 H new ATOM 0 HH TYR A 32 2.801 9.334 5.144 1.00 0.00 H new ATOM 564 N ILE A 33 -4.686 9.649 1.761 1.00 0.00 N ATOM 565 CA ILE A 33 -5.942 9.379 2.513 1.00 0.00 C ATOM 566 C ILE A 33 -5.674 8.375 3.637 1.00 0.00 C ATOM 567 O ILE A 33 -6.221 8.473 4.717 1.00 0.00 O ATOM 568 CB ILE A 33 -6.889 8.783 1.473 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.072 9.777 0.325 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.243 8.494 2.118 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.030 9.029 -1.008 1.00 0.00 C ATOM 0 H ILE A 33 -4.499 9.009 0.989 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.355 10.273 2.980 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.467 7.854 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.022 10.300 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.287 10.533 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.917 8.069 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.112 7.786 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.667 9.421 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.160 9.737 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.069 8.526 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.831 8.290 -1.036 1.00 0.00 H new ATOM 583 N GLU A 34 -4.832 7.410 3.387 1.00 0.00 N ATOM 584 CA GLU A 34 -4.521 6.397 4.435 1.00 0.00 C ATOM 585 C GLU A 34 -3.415 5.462 3.941 1.00 0.00 C ATOM 586 O GLU A 34 -3.238 5.268 2.754 1.00 0.00 O ATOM 587 CB GLU A 34 -5.825 5.625 4.643 1.00 0.00 C ATOM 588 CG GLU A 34 -6.221 5.683 6.119 1.00 0.00 C ATOM 589 CD GLU A 34 -5.894 4.347 6.788 1.00 0.00 C ATOM 590 OE1 GLU A 34 -6.138 3.322 6.171 1.00 0.00 O ATOM 591 OE2 GLU A 34 -5.403 4.370 7.904 1.00 0.00 O ATOM 0 H GLU A 34 -4.345 7.279 2.500 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.169 6.851 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.616 6.052 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.701 4.589 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.687 6.492 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.286 5.898 6.213 1.00 0.00 H new ATOM 598 N LYS A 35 -2.667 4.881 4.837 1.00 0.00 N ATOM 599 CA LYS A 35 -1.576 3.964 4.404 1.00 0.00 C ATOM 600 C LYS A 35 -2.071 2.515 4.400 1.00 0.00 C ATOM 601 O LYS A 35 -2.417 1.959 5.424 1.00 0.00 O ATOM 602 CB LYS A 35 -0.452 4.159 5.423 1.00 0.00 C ATOM 603 CG LYS A 35 -0.909 3.680 6.802 1.00 0.00 C ATOM 604 CD LYS A 35 -0.380 4.631 7.876 1.00 0.00 C ATOM 605 CE LYS A 35 -1.546 5.415 8.483 1.00 0.00 C ATOM 606 NZ LYS A 35 -2.104 4.520 9.533 1.00 0.00 N ATOM 0 H LYS A 35 -2.763 5.000 5.845 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.235 4.180 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.433 3.605 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.170 5.211 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.998 3.640 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.545 2.669 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.137 4.068 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.347 5.318 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.208 6.360 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.296 5.655 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.909 4.988 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.424 3.631 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.370 4.314 10.240 1.00 0.00 H new ATOM 620 N ILE A 36 -2.108 1.906 3.248 1.00 0.00 N ATOM 621 CA ILE A 36 -2.581 0.492 3.162 1.00 0.00 C ATOM 622 C ILE A 36 -1.404 -0.452 3.009 1.00 0.00 C ATOM 623 O ILE A 36 -1.435 -1.580 3.462 1.00 0.00 O ATOM 624 CB ILE A 36 -3.467 0.441 1.921 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.682 0.936 0.693 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.679 1.337 2.149 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.498 0.708 -0.575 1.00 0.00 C ATOM 0 H ILE A 36 -1.831 2.325 2.360 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.118 0.187 4.060 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.789 -0.585 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.452 1.996 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.731 0.409 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.322 1.310 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.236 0.982 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.347 2.360 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.935 1.061 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.706 -0.356 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.438 1.256 -0.506 1.00 0.00 H new ATOM 639 N GLY A 37 -0.376 -0.011 2.358 1.00 0.00 N ATOM 640 CA GLY A 37 0.785 -0.897 2.161 1.00 0.00 C ATOM 641 C GLY A 37 2.064 -0.259 2.685 1.00 0.00 C ATOM 642 O GLY A 37 2.129 0.920 2.972 1.00 0.00 O ATOM 0 H GLY A 37 -0.291 0.922 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.613 -1.844 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.897 -1.123 1.101 1.00 0.00 H new ATOM 646 N TYR A 38 3.091 -1.048 2.757 1.00 0.00 N ATOM 647 CA TYR A 38 4.422 -0.547 3.202 1.00 0.00 C ATOM 648 C TYR A 38 5.491 -1.209 2.328 1.00 0.00 C ATOM 649 O TYR A 38 5.441 -2.399 2.088 1.00 0.00 O ATOM 650 CB TYR A 38 4.562 -0.983 4.661 1.00 0.00 C ATOM 651 CG TYR A 38 5.850 -0.433 5.229 1.00 0.00 C ATOM 652 CD1 TYR A 38 7.052 -1.127 5.042 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.842 0.771 5.944 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.244 -0.617 5.569 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.036 1.281 6.471 1.00 0.00 C ATOM 656 CZ TYR A 38 8.236 0.586 6.284 1.00 0.00 C ATOM 657 OH TYR A 38 9.413 1.088 6.803 1.00 0.00 O ATOM 0 H TYR A 38 3.068 -2.040 2.522 1.00 0.00 H new ATOM 0 HA TYR A 38 4.528 0.534 3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.713 -0.624 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.557 -2.071 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.059 -2.056 4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.915 1.307 6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.171 -1.152 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.030 2.210 7.021 1.00 0.00 H new ATOM 0 HH TYR A 38 9.232 1.931 7.270 1.00 0.00 H new ATOM 667 N TYR A 39 6.451 -0.468 1.838 1.00 0.00 N ATOM 668 CA TYR A 39 7.486 -1.109 0.975 1.00 0.00 C ATOM 669 C TYR A 39 8.891 -0.653 1.406 1.00 0.00 C ATOM 670 O TYR A 39 9.142 0.523 1.576 1.00 0.00 O ATOM 671 CB TYR A 39 7.186 -0.642 -0.457 1.00 0.00 C ATOM 672 CG TYR A 39 8.268 -1.134 -1.401 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.901 -2.363 -1.175 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.634 -0.357 -2.504 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.897 -2.815 -2.050 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.631 -0.807 -3.380 1.00 0.00 C ATOM 677 CZ TYR A 39 10.262 -2.035 -3.153 1.00 0.00 C ATOM 678 OH TYR A 39 11.240 -2.480 -4.020 1.00 0.00 O ATOM 0 H TYR A 39 6.562 0.534 1.994 1.00 0.00 H new ATOM 0 HA TYR A 39 7.460 -2.196 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.215 -1.020 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.131 0.446 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.620 -2.964 -0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.148 0.591 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.382 -3.764 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.913 -0.205 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 39 11.371 -1.819 -4.732 1.00 0.00 H new ATOM 688 N ASP A 40 9.812 -1.562 1.586 1.00 0.00 N ATOM 689 CA ASP A 40 11.186 -1.144 2.005 1.00 0.00 C ATOM 690 C ASP A 40 12.253 -1.974 1.277 1.00 0.00 C ATOM 691 O ASP A 40 12.717 -2.970 1.792 1.00 0.00 O ATOM 692 CB ASP A 40 11.236 -1.404 3.512 1.00 0.00 C ATOM 693 CG ASP A 40 12.616 -1.023 4.052 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.323 -0.304 3.365 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.943 -1.458 5.144 1.00 0.00 O ATOM 0 H ASP A 40 9.677 -2.566 1.463 1.00 0.00 H new ATOM 0 HA ASP A 40 11.387 -0.101 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.464 -0.824 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.031 -2.455 3.717 1.00 0.00 H new ATOM 838 N LEU A 49 8.009 -6.403 2.080 1.00 0.00 N ATOM 839 CA LEU A 49 6.639 -6.033 1.619 1.00 0.00 C ATOM 840 C LEU A 49 5.618 -6.276 2.732 1.00 0.00 C ATOM 841 O LEU A 49 5.270 -7.400 3.035 1.00 0.00 O ATOM 842 CB LEU A 49 6.354 -6.965 0.443 1.00 0.00 C ATOM 843 CG LEU A 49 5.074 -6.521 -0.270 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.211 -6.790 -1.767 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.886 -7.307 0.284 1.00 0.00 C ATOM 0 HA LEU A 49 6.573 -4.981 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.192 -6.954 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.247 -7.990 0.797 1.00 0.00 H new ATOM 0 HG LEU A 49 4.913 -5.456 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.301 -6.475 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.060 -6.232 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.369 -7.856 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.974 -6.992 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.045 -8.372 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.791 -7.118 1.353 1.00 0.00 H new ATOM 857 N LYS A 50 5.125 -5.233 3.335 1.00 0.00 N ATOM 858 CA LYS A 50 4.116 -5.410 4.418 1.00 0.00 C ATOM 859 C LYS A 50 2.843 -4.641 4.060 1.00 0.00 C ATOM 860 O LYS A 50 2.747 -3.449 4.277 1.00 0.00 O ATOM 861 CB LYS A 50 4.772 -4.827 5.670 1.00 0.00 C ATOM 862 CG LYS A 50 6.065 -5.590 5.968 1.00 0.00 C ATOM 863 CD LYS A 50 6.010 -6.157 7.387 1.00 0.00 C ATOM 864 CE LYS A 50 6.127 -5.016 8.398 1.00 0.00 C ATOM 865 NZ LYS A 50 7.523 -5.101 8.912 1.00 0.00 N ATOM 0 H LYS A 50 5.375 -4.266 3.127 1.00 0.00 H new ATOM 0 HA LYS A 50 3.832 -6.452 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.987 -3.769 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.091 -4.898 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.197 -6.397 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.923 -4.926 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.075 -6.696 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.819 -6.873 7.535 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.937 -4.051 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.402 -5.126 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.681 -4.349 9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.672 -6.028 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.191 -4.986 8.123 1.00 0.00 H new ATOM 879 N VAL A 51 1.868 -5.306 3.495 1.00 0.00 N ATOM 880 CA VAL A 51 0.619 -4.590 3.110 1.00 0.00 C ATOM 881 C VAL A 51 -0.604 -5.182 3.809 1.00 0.00 C ATOM 882 O VAL A 51 -0.687 -6.367 4.070 1.00 0.00 O ATOM 883 CB VAL A 51 0.511 -4.762 1.568 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.940 -5.012 1.119 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.986 -3.490 0.881 1.00 0.00 C ATOM 0 H VAL A 51 1.883 -6.304 3.286 1.00 0.00 H new ATOM 0 HA VAL A 51 0.653 -3.541 3.405 1.00 0.00 H new ATOM 0 HB VAL A 51 1.125 -5.620 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.971 -5.127 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.316 -5.920 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.562 -4.167 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.910 -3.610 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.365 -2.652 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.023 -3.295 1.153 1.00 0.00 H new ATOM 895 N ASP A 52 -1.583 -4.358 4.031 1.00 0.00 N ATOM 896 CA ASP A 52 -2.850 -4.841 4.619 1.00 0.00 C ATOM 897 C ASP A 52 -3.795 -5.074 3.444 1.00 0.00 C ATOM 898 O ASP A 52 -4.745 -4.344 3.249 1.00 0.00 O ATOM 899 CB ASP A 52 -3.345 -3.703 5.515 1.00 0.00 C ATOM 900 CG ASP A 52 -4.100 -4.287 6.711 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.098 -4.954 6.488 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.668 -4.059 7.828 1.00 0.00 O ATOM 0 H ASP A 52 -1.556 -3.359 3.827 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.765 -5.758 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.502 -3.105 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.997 -3.038 4.949 1.00 0.00 H new ATOM 907 N VAL A 53 -3.482 -6.064 2.631 1.00 0.00 N ATOM 908 CA VAL A 53 -4.292 -6.372 1.401 1.00 0.00 C ATOM 909 C VAL A 53 -5.786 -6.081 1.607 1.00 0.00 C ATOM 910 O VAL A 53 -6.469 -5.691 0.684 1.00 0.00 O ATOM 911 CB VAL A 53 -4.011 -7.864 1.056 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.798 -8.702 2.320 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.173 -8.465 0.254 1.00 0.00 C ATOM 0 H VAL A 53 -2.683 -6.683 2.772 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.003 -5.729 0.569 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.100 -7.886 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.604 -9.738 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.946 -8.311 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.691 -8.655 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.955 -9.508 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.089 -8.407 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.301 -7.908 -0.674 1.00 0.00 H new ATOM 923 N GLU A 54 -6.298 -6.235 2.796 1.00 0.00 N ATOM 924 CA GLU A 54 -7.736 -5.925 3.006 1.00 0.00 C ATOM 925 C GLU A 54 -7.973 -4.445 2.717 1.00 0.00 C ATOM 926 O GLU A 54 -8.769 -4.085 1.871 1.00 0.00 O ATOM 927 CB GLU A 54 -8.021 -6.254 4.472 1.00 0.00 C ATOM 928 CG GLU A 54 -9.519 -6.501 4.658 1.00 0.00 C ATOM 929 CD GLU A 54 -9.789 -6.954 6.094 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.024 -7.764 6.591 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.756 -6.486 6.671 1.00 0.00 O ATOM 0 H GLU A 54 -5.790 -6.558 3.620 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.391 -6.496 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.456 -7.136 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.695 -5.433 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.078 -5.590 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.863 -7.260 3.956 1.00 0.00 H new ATOM 938 N ARG A 55 -7.271 -3.582 3.396 1.00 0.00 N ATOM 939 CA ARG A 55 -7.443 -2.130 3.140 1.00 0.00 C ATOM 940 C ARG A 55 -6.804 -1.781 1.797 1.00 0.00 C ATOM 941 O ARG A 55 -7.311 -0.973 1.050 1.00 0.00 O ATOM 942 CB ARG A 55 -6.731 -1.418 4.290 1.00 0.00 C ATOM 943 CG ARG A 55 -7.632 -1.415 5.527 1.00 0.00 C ATOM 944 CD ARG A 55 -8.833 -0.489 5.304 1.00 0.00 C ATOM 945 NE ARG A 55 -8.253 0.880 5.203 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.020 1.943 5.279 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.315 1.830 5.449 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.485 3.130 5.185 1.00 0.00 N ATOM 0 H ARG A 55 -6.588 -3.821 4.115 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.491 -1.833 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.790 -1.919 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.487 -0.395 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.978 -2.427 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.066 -1.085 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.374 -0.756 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.542 -0.557 6.129 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.248 0.993 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.741 0.906 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.897 2.666 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.478 3.227 5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.074 3.961 5.243 1.00 0.00 H new ATOM 962 N ALA A 56 -5.717 -2.416 1.458 1.00 0.00 N ATOM 963 CA ALA A 56 -5.102 -2.141 0.143 1.00 0.00 C ATOM 964 C ALA A 56 -6.101 -2.599 -0.928 1.00 0.00 C ATOM 965 O ALA A 56 -6.077 -2.147 -2.058 1.00 0.00 O ATOM 966 CB ALA A 56 -3.796 -2.950 0.125 1.00 0.00 C ATOM 0 H ALA A 56 -5.236 -3.107 2.034 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.876 -1.091 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.284 -2.794 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.153 -2.622 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.023 -4.009 0.245 1.00 0.00 H new ATOM 972 N ARG A 57 -7.017 -3.472 -0.558 1.00 0.00 N ATOM 973 CA ARG A 57 -8.044 -3.933 -1.520 1.00 0.00 C ATOM 974 C ARG A 57 -9.250 -2.982 -1.476 1.00 0.00 C ATOM 975 O ARG A 57 -9.978 -2.842 -2.437 1.00 0.00 O ATOM 976 CB ARG A 57 -8.438 -5.334 -1.048 1.00 0.00 C ATOM 977 CG ARG A 57 -9.629 -5.844 -1.863 1.00 0.00 C ATOM 978 CD ARG A 57 -9.881 -7.315 -1.524 1.00 0.00 C ATOM 979 NE ARG A 57 -10.788 -7.812 -2.601 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.355 -7.966 -3.830 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.112 -7.697 -4.145 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.171 -8.399 -4.750 1.00 0.00 N ATOM 0 H ARG A 57 -7.086 -3.879 0.375 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.681 -3.948 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.594 -6.015 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.694 -5.311 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.516 -5.251 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.429 -5.734 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.949 -7.880 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.341 -7.420 -0.541 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.758 -8.035 -2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.466 -7.363 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.791 -7.822 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.139 -8.616 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.841 -8.521 -5.708 1.00 0.00 H new ATOM 996 N TYR A 58 -9.442 -2.309 -0.368 1.00 0.00 N ATOM 997 CA TYR A 58 -10.569 -1.342 -0.248 1.00 0.00 C ATOM 998 C TYR A 58 -10.374 -0.290 -1.315 1.00 0.00 C ATOM 999 O TYR A 58 -11.271 0.100 -2.035 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.391 -0.746 1.161 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.845 0.708 1.248 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.021 1.122 0.611 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.084 1.636 1.977 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.438 2.456 0.702 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.503 2.970 2.066 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.679 3.379 1.430 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.088 4.697 1.522 1.00 0.00 O ATOM 0 H TYR A 58 -8.858 -2.392 0.465 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.562 -1.773 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.957 -1.342 1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.342 -0.812 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.608 0.411 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.176 1.321 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.346 2.772 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.917 3.683 2.627 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.377 5.284 1.190 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.178 0.167 -1.380 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.820 1.208 -2.353 1.00 0.00 C ATOM 1019 C TRP A 59 -8.951 0.663 -3.759 1.00 0.00 C ATOM 1020 O TRP A 59 -9.694 1.179 -4.568 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.396 1.572 -1.975 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.515 2.341 -0.714 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.115 1.948 0.514 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.158 3.615 -0.549 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.434 2.948 1.421 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.088 3.999 0.804 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.773 4.471 -1.461 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.627 5.209 1.242 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.321 5.685 -1.034 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.247 6.057 0.316 1.00 0.00 C ATOM 0 H TRP A 59 -8.410 -0.144 -0.785 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.465 2.087 -2.334 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.785 0.680 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.921 2.166 -2.756 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.629 1.013 0.750 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.214 2.913 2.416 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.827 4.195 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.567 5.489 2.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.803 6.338 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.668 6.997 0.641 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.289 -0.411 -4.046 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.441 -1.018 -5.396 1.00 0.00 C ATOM 1043 C LEU A 60 -9.937 -1.242 -5.665 1.00 0.00 C ATOM 1044 O LEU A 60 -10.372 -1.324 -6.797 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.693 -2.349 -5.330 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.192 -2.100 -5.478 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.423 -3.149 -4.674 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.802 -2.200 -6.955 1.00 0.00 C ATOM 0 H LEU A 60 -7.652 -0.896 -3.414 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.047 -0.390 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.898 -2.846 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.042 -3.014 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.948 -1.105 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.352 -2.974 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.702 -3.078 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.666 -4.144 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.732 -2.023 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.044 -3.195 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.352 -1.454 -7.528 1.00 0.00 H new ATOM 1060 N SER A 61 -10.729 -1.328 -4.619 1.00 0.00 N ATOM 1061 CA SER A 61 -12.191 -1.527 -4.800 1.00 0.00 C ATOM 1062 C SER A 61 -12.888 -0.187 -5.071 1.00 0.00 C ATOM 1063 O SER A 61 -13.985 -0.148 -5.592 1.00 0.00 O ATOM 1064 CB SER A 61 -12.685 -2.130 -3.486 1.00 0.00 C ATOM 1065 OG SER A 61 -13.982 -2.678 -3.679 1.00 0.00 O ATOM 0 H SER A 61 -10.418 -1.268 -3.649 1.00 0.00 H new ATOM 0 HA SER A 61 -12.408 -2.174 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.997 -2.905 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.712 -1.366 -2.709 1.00 0.00 H new ATOM 0 HG SER A 61 -14.301 -3.067 -2.838 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.266 0.918 -4.730 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.911 2.230 -4.983 1.00 0.00 C ATOM 1073 C VAL A 62 -12.340 2.834 -6.267 1.00 0.00 C ATOM 1074 O VAL A 62 -12.209 4.034 -6.404 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.592 3.121 -3.761 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.815 2.351 -2.456 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.138 3.613 -3.805 1.00 0.00 C ATOM 0 H VAL A 62 -11.346 0.960 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.989 2.137 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.264 3.978 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.585 2.997 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.855 2.031 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.164 1.477 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.939 4.238 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.464 2.757 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.978 4.194 -4.713 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.998 1.998 -7.200 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.427 2.496 -8.480 1.00 0.00 C ATOM 1089 C GLY A 63 -10.028 3.064 -8.230 1.00 0.00 C ATOM 1090 O GLY A 63 -9.571 3.941 -8.937 1.00 0.00 O ATOM 0 H GLY A 63 -12.089 0.984 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.377 1.686 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.073 3.265 -8.903 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.341 2.574 -7.231 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.975 3.092 -6.949 1.00 0.00 C ATOM 1096 C ALA A 64 -7.004 2.617 -8.032 1.00 0.00 C ATOM 1097 O ALA A 64 -7.012 1.467 -8.425 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.596 2.511 -5.586 1.00 0.00 C ATOM 0 H ALA A 64 -9.668 1.840 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.938 4.181 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.598 2.851 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.313 2.845 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.607 1.422 -5.639 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.176 3.494 -8.525 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.213 3.093 -9.589 1.00 0.00 C ATOM 1106 C GLN A 65 -3.812 2.882 -8.995 1.00 0.00 C ATOM 1107 O GLN A 65 -3.149 3.834 -8.630 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.210 4.265 -10.571 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.994 3.884 -11.828 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.287 5.141 -12.649 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.413 6.219 -12.107 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.398 5.046 -13.946 1.00 0.00 N ATOM 0 H GLN A 65 -6.124 4.471 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.493 2.155 -10.068 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.655 5.144 -10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.186 4.529 -10.835 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.422 3.173 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.927 3.392 -11.552 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.292 4.140 -14.402 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.591 5.878 -14.504 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.400 1.640 -8.917 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.062 1.324 -8.368 1.00 0.00 C ATOM 1123 C PRO A 66 -0.987 1.527 -9.441 1.00 0.00 C ATOM 1124 O PRO A 66 -1.181 1.197 -10.595 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.168 -0.149 -7.998 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.234 -0.710 -8.890 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.130 0.427 -9.313 1.00 0.00 C ATOM 0 HA PRO A 66 -1.785 1.957 -7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.218 -0.661 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.431 -0.272 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.789 -1.189 -9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.808 -1.473 -8.365 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.315 0.408 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.101 0.370 -8.822 1.00 0.00 H new ATOM 1135 N THR A 67 0.148 2.056 -9.073 1.00 0.00 N ATOM 1136 CA THR A 67 1.231 2.262 -10.078 1.00 0.00 C ATOM 1137 C THR A 67 1.859 0.915 -10.445 1.00 0.00 C ATOM 1138 O THR A 67 1.602 -0.087 -9.813 1.00 0.00 O ATOM 1139 CB THR A 67 2.255 3.168 -9.390 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.276 2.885 -7.997 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.872 4.633 -9.609 1.00 0.00 C ATOM 0 H THR A 67 0.372 2.354 -8.124 1.00 0.00 H new ATOM 0 HA THR A 67 0.862 2.707 -11.002 1.00 0.00 H new ATOM 0 HB THR A 67 3.243 2.986 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.932 3.463 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.602 5.277 -9.119 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.857 4.849 -10.677 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.884 4.818 -9.187 1.00 0.00 H new ATOM 1149 N ASP A 68 2.673 0.880 -11.463 1.00 0.00 N ATOM 1150 CA ASP A 68 3.303 -0.410 -11.869 1.00 0.00 C ATOM 1151 C ASP A 68 4.127 -0.998 -10.719 1.00 0.00 C ATOM 1152 O ASP A 68 4.448 -2.170 -10.709 1.00 0.00 O ATOM 1153 CB ASP A 68 4.209 -0.052 -13.047 1.00 0.00 C ATOM 1154 CG ASP A 68 3.351 0.261 -14.273 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.278 0.814 -14.096 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.781 -0.057 -15.370 1.00 0.00 O ATOM 0 H ASP A 68 2.930 1.687 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 68 2.559 -1.161 -12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.829 0.808 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.885 -0.879 -13.264 1.00 0.00 H new ATOM 1161 N THR A 69 4.476 -0.198 -9.754 1.00 0.00 N ATOM 1162 CA THR A 69 5.283 -0.713 -8.612 1.00 0.00 C ATOM 1163 C THR A 69 4.374 -1.106 -7.448 1.00 0.00 C ATOM 1164 O THR A 69 4.476 -2.188 -6.903 1.00 0.00 O ATOM 1165 CB THR A 69 6.159 0.455 -8.208 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.640 1.116 -9.371 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.337 -0.040 -7.365 1.00 0.00 C ATOM 0 H THR A 69 4.238 0.793 -9.705 1.00 0.00 H new ATOM 0 HA THR A 69 5.858 -1.599 -8.882 1.00 0.00 H new ATOM 0 HB THR A 69 5.570 1.154 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.205 1.872 -9.107 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.961 0.807 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.961 -0.533 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.929 -0.747 -7.946 1.00 0.00 H new ATOM 1175 N ALA A 70 3.480 -0.236 -7.067 1.00 0.00 N ATOM 1176 CA ALA A 70 2.562 -0.559 -5.947 1.00 0.00 C ATOM 1177 C ALA A 70 1.563 -1.600 -6.419 1.00 0.00 C ATOM 1178 O ALA A 70 1.042 -2.376 -5.642 1.00 0.00 O ATOM 1179 CB ALA A 70 1.861 0.756 -5.603 1.00 0.00 C ATOM 0 H ALA A 70 3.348 0.685 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 70 3.077 -0.965 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.165 0.593 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.603 1.498 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.315 1.116 -6.475 1.00 0.00 H new ATOM 1185 N ARG A 71 1.314 -1.647 -7.697 1.00 0.00 N ATOM 1186 CA ARG A 71 0.383 -2.662 -8.214 1.00 0.00 C ATOM 1187 C ARG A 71 1.062 -4.010 -8.061 1.00 0.00 C ATOM 1188 O ARG A 71 0.439 -5.009 -7.761 1.00 0.00 O ATOM 1189 CB ARG A 71 0.168 -2.320 -9.688 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.685 -3.409 -10.344 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.680 -3.215 -11.863 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.119 -3.171 -12.250 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.867 -4.247 -12.187 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.374 -5.386 -11.767 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.121 -4.181 -12.545 1.00 0.00 N ATOM 0 H ARG A 71 1.718 -1.025 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.574 -2.688 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.325 -1.352 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.128 -2.239 -10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.293 -4.394 -10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.706 -3.365 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.168 -2.294 -12.142 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.161 -4.032 -12.364 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.528 -2.292 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.396 -5.445 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.968 -6.214 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.513 -3.297 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.709 -5.013 -12.499 1.00 0.00 H new ATOM 1209 N ARG A 72 2.357 -4.033 -8.240 1.00 0.00 N ATOM 1210 CA ARG A 72 3.089 -5.308 -8.082 1.00 0.00 C ATOM 1211 C ARG A 72 3.035 -5.727 -6.615 1.00 0.00 C ATOM 1212 O ARG A 72 2.961 -6.896 -6.291 1.00 0.00 O ATOM 1213 CB ARG A 72 4.526 -5.013 -8.515 1.00 0.00 C ATOM 1214 CG ARG A 72 4.839 -5.783 -9.800 1.00 0.00 C ATOM 1215 CD ARG A 72 6.081 -5.187 -10.466 1.00 0.00 C ATOM 1216 NE ARG A 72 6.511 -6.210 -11.464 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.680 -6.123 -12.055 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.496 -5.131 -11.791 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.034 -7.034 -12.921 1.00 0.00 N ATOM 0 H ARG A 72 2.930 -3.226 -8.487 1.00 0.00 H new ATOM 0 HA ARG A 72 2.664 -6.118 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.656 -3.943 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.221 -5.302 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.005 -6.836 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.990 -5.734 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.853 -4.236 -10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.866 -4.993 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 72 5.889 -6.986 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.226 -4.413 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.401 -5.077 -12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.404 -7.807 -13.135 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.941 -6.973 -13.384 1.00 0.00 H new ATOM 1233 N LEU A 73 3.057 -4.771 -5.726 1.00 0.00 N ATOM 1234 CA LEU A 73 2.990 -5.094 -4.284 1.00 0.00 C ATOM 1235 C LEU A 73 1.576 -5.518 -3.924 1.00 0.00 C ATOM 1236 O LEU A 73 1.367 -6.304 -3.028 1.00 0.00 O ATOM 1237 CB LEU A 73 3.383 -3.811 -3.557 1.00 0.00 C ATOM 1238 CG LEU A 73 4.771 -3.380 -4.020 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.022 -1.928 -3.609 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.825 -4.280 -3.374 1.00 0.00 C ATOM 0 H LEU A 73 3.119 -3.777 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 73 3.651 -5.916 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.657 -3.025 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.380 -3.973 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 73 4.833 -3.465 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.014 -1.622 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.272 -1.285 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.959 -1.841 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.817 -3.973 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.761 -4.195 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.649 -5.315 -3.667 1.00 0.00 H new ATOM 1252 N LEU A 74 0.600 -5.035 -4.641 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.787 -5.465 -4.354 1.00 0.00 C ATOM 1254 C LEU A 74 -0.920 -6.908 -4.829 1.00 0.00 C ATOM 1255 O LEU A 74 -1.692 -7.687 -4.309 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.683 -4.528 -5.163 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.713 -3.156 -4.491 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.297 -2.128 -5.457 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.580 -3.224 -3.231 1.00 0.00 C ATOM 0 H LEU A 74 0.705 -4.368 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.056 -5.422 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.309 -4.438 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.692 -4.936 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.699 -2.863 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.318 -1.149 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.679 -2.079 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.311 -2.420 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.602 -2.246 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.594 -3.518 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.162 -3.957 -2.541 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.129 -7.269 -5.806 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.151 -8.655 -6.321 1.00 0.00 C ATOM 1273 C ARG A 75 0.693 -9.528 -5.400 1.00 0.00 C ATOM 1274 O ARG A 75 0.444 -10.706 -5.233 1.00 0.00 O ATOM 1275 CB ARG A 75 0.494 -8.565 -7.704 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.324 -9.372 -8.708 1.00 0.00 C ATOM 1277 CD ARG A 75 0.526 -10.521 -9.256 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.426 -11.379 -10.022 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.081 -12.584 -10.412 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.104 -13.068 -10.135 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.931 -13.312 -11.083 1.00 0.00 N ATOM 0 H ARG A 75 0.536 -6.650 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.152 -9.083 -6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.552 -7.524 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.515 -8.944 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.221 -9.766 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.654 -8.729 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.325 -10.149 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.999 -11.081 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.356 -11.024 -10.245 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.774 -12.507 -9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.357 -14.006 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.857 -12.944 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.670 -14.249 -11.389 1.00 0.00 H new ATOM 1295 N GLN A 76 1.699 -8.948 -4.802 1.00 0.00 N ATOM 1296 CA GLN A 76 2.572 -9.715 -3.897 1.00 0.00 C ATOM 1297 C GLN A 76 1.941 -9.807 -2.522 1.00 0.00 C ATOM 1298 O GLN A 76 1.988 -10.827 -1.863 1.00 0.00 O ATOM 1299 CB GLN A 76 3.863 -8.914 -3.879 1.00 0.00 C ATOM 1300 CG GLN A 76 5.023 -9.813 -3.465 1.00 0.00 C ATOM 1301 CD GLN A 76 5.414 -10.702 -4.647 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.554 -11.900 -4.502 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.598 -10.159 -5.819 1.00 0.00 N ATOM 0 H GLN A 76 1.948 -7.965 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 76 2.738 -10.744 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.053 -8.491 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.773 -8.078 -3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.874 -9.208 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.737 -10.427 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.480 -9.153 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.860 -10.741 -6.615 1.00 0.00 H new ATOM 1312 N ALA A 77 1.326 -8.755 -2.104 1.00 0.00 N ATOM 1313 CA ALA A 77 0.647 -8.763 -0.786 1.00 0.00 C ATOM 1314 C ALA A 77 -0.508 -9.777 -0.801 1.00 0.00 C ATOM 1315 O ALA A 77 -1.061 -10.115 0.226 1.00 0.00 O ATOM 1316 CB ALA A 77 0.110 -7.343 -0.606 1.00 0.00 C ATOM 0 H ALA A 77 1.260 -7.877 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 77 1.317 -9.048 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.408 -7.268 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.939 -6.635 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.584 -7.112 -1.414 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.873 -10.268 -1.964 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.987 -11.259 -2.047 1.00 0.00 C ATOM 1324 C GLY A 78 -3.331 -10.534 -2.182 1.00 0.00 C ATOM 1325 O GLY A 78 -4.329 -10.963 -1.639 1.00 0.00 O ATOM 0 H GLY A 78 -0.445 -10.023 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.834 -11.919 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.992 -11.887 -1.156 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.369 -9.438 -2.893 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.653 -8.695 -3.043 1.00 0.00 C ATOM 1331 C VAL A 79 -5.474 -9.233 -4.220 1.00 0.00 C ATOM 1332 O VAL A 79 -6.596 -9.669 -4.053 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.261 -7.242 -3.288 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.514 -6.365 -3.265 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.293 -6.775 -2.195 1.00 0.00 C ATOM 0 H VAL A 79 -2.569 -9.027 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.277 -8.806 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.775 -7.160 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.234 -5.326 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.201 -6.692 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.000 -6.451 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.016 -5.736 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.776 -6.859 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.398 -7.397 -2.211 1.00 0.00 H new