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= -0.009 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 -147:sc= 0.0239 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00464 K(o=-0.0046,f=-1.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 69 THR OG1 : rot -33:sc= 0.104! USER MOD Single : A 76 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.122 8.238 -7.662 1.00 0.00 N ATOM 21 CA VAL A 2 -7.447 7.572 -6.511 1.00 0.00 C ATOM 22 C VAL A 2 -6.367 6.613 -7.018 1.00 0.00 C ATOM 23 O VAL A 2 -6.618 5.771 -7.855 1.00 0.00 O ATOM 24 CB VAL A 2 -8.558 6.801 -5.797 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.975 6.057 -4.593 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.631 7.780 -5.316 1.00 0.00 C ATOM 0 HA VAL A 2 -6.954 8.284 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.001 6.084 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.768 5.508 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.210 5.358 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.531 6.774 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.423 7.231 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.186 8.497 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.049 8.310 -6.171 1.00 0.00 H new ATOM 36 N LYS A 3 -5.163 6.737 -6.528 1.00 0.00 N ATOM 37 CA LYS A 3 -4.077 5.826 -6.995 1.00 0.00 C ATOM 38 C LYS A 3 -3.170 5.416 -5.829 1.00 0.00 C ATOM 39 O LYS A 3 -2.783 6.232 -5.017 1.00 0.00 O ATOM 40 CB LYS A 3 -3.286 6.644 -8.015 1.00 0.00 C ATOM 41 CG LYS A 3 -4.106 6.796 -9.298 1.00 0.00 C ATOM 42 CD LYS A 3 -3.337 7.665 -10.293 1.00 0.00 C ATOM 43 CE LYS A 3 -2.186 6.853 -10.891 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.681 7.679 -12.024 1.00 0.00 N ATOM 0 H LYS A 3 -4.885 7.425 -5.829 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.477 4.906 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.049 7.626 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.338 6.153 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.306 5.817 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.072 7.249 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.004 8.009 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.950 8.553 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.404 6.674 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.528 5.877 -11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.889 7.188 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.445 7.827 -12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.356 8.599 -11.665 1.00 0.00 H new ATOM 58 N ILE A 4 -2.803 4.164 -5.756 1.00 0.00 N ATOM 59 CA ILE A 4 -1.896 3.718 -4.665 1.00 0.00 C ATOM 60 C ILE A 4 -0.472 3.604 -5.231 1.00 0.00 C ATOM 61 O ILE A 4 -0.268 3.075 -6.305 1.00 0.00 O ATOM 62 CB ILE A 4 -2.444 2.366 -4.193 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.706 2.599 -3.355 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.402 1.641 -3.335 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.304 1.250 -2.948 1.00 0.00 C ATOM 0 H ILE A 4 -3.093 3.433 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.853 4.412 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.678 1.754 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.464 3.184 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.434 3.174 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.804 0.683 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.499 1.474 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.160 2.250 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.202 1.415 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.561 0.682 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.576 0.692 -2.360 1.00 0.00 H new ATOM 77 N ARG A 5 0.513 4.115 -4.537 1.00 0.00 N ATOM 78 CA ARG A 5 1.902 4.044 -5.074 1.00 0.00 C ATOM 79 C ARG A 5 2.930 3.998 -3.942 1.00 0.00 C ATOM 80 O ARG A 5 2.586 3.892 -2.786 1.00 0.00 O ATOM 81 CB ARG A 5 2.071 5.318 -5.908 1.00 0.00 C ATOM 82 CG ARG A 5 2.010 6.548 -4.997 1.00 0.00 C ATOM 83 CD ARG A 5 2.321 7.805 -5.814 1.00 0.00 C ATOM 84 NE ARG A 5 2.114 8.944 -4.872 1.00 0.00 N ATOM 85 CZ ARG A 5 3.018 9.244 -3.969 1.00 0.00 C ATOM 86 NH1 ARG A 5 4.118 8.542 -3.856 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.819 10.257 -3.169 1.00 0.00 N ATOM 0 H ARG A 5 0.416 4.574 -3.631 1.00 0.00 H new ATOM 0 HA ARG A 5 2.061 3.142 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.024 5.293 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.288 5.375 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.021 6.630 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.726 6.445 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.343 7.787 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.663 7.885 -6.680 1.00 0.00 H new ATOM 0 HE ARG A 5 1.259 9.497 -4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.282 7.748 -4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.810 8.789 -3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.965 10.809 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.517 10.496 -2.465 1.00 0.00 H new ATOM 101 N LEU A 6 4.193 4.087 -4.270 1.00 0.00 N ATOM 102 CA LEU A 6 5.245 4.043 -3.213 1.00 0.00 C ATOM 103 C LEU A 6 5.525 5.450 -2.687 1.00 0.00 C ATOM 104 O LEU A 6 5.773 6.372 -3.439 1.00 0.00 O ATOM 105 CB LEU A 6 6.483 3.481 -3.912 1.00 0.00 C ATOM 106 CG LEU A 6 6.289 1.990 -4.180 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.415 1.803 -5.421 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.650 1.332 -4.412 1.00 0.00 C ATOM 0 H LEU A 6 4.540 4.188 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 6 4.945 3.437 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.655 4.010 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.365 3.637 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 6 5.803 1.528 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.277 0.739 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.444 2.271 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.900 2.266 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.512 0.268 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.136 1.795 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.273 1.464 -3.528 1.00 0.00 H new ATOM 120 N ALA A 7 5.465 5.622 -1.396 1.00 0.00 N ATOM 121 CA ALA A 7 5.699 6.966 -0.798 1.00 0.00 C ATOM 122 C ALA A 7 7.111 7.083 -0.219 1.00 0.00 C ATOM 123 O ALA A 7 7.418 6.494 0.792 1.00 0.00 O ATOM 124 CB ALA A 7 4.675 7.032 0.323 1.00 0.00 C ATOM 0 H ALA A 7 5.262 4.882 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 7 5.605 7.768 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.759 7.990 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.673 6.930 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.858 6.224 1.031 1.00 0.00 H new ATOM 130 N ARG A 8 7.967 7.846 -0.842 1.00 0.00 N ATOM 131 CA ARG A 8 9.352 7.994 -0.314 1.00 0.00 C ATOM 132 C ARG A 8 9.379 8.893 0.926 1.00 0.00 C ATOM 133 O ARG A 8 8.980 10.039 0.888 1.00 0.00 O ATOM 134 CB ARG A 8 10.148 8.624 -1.460 1.00 0.00 C ATOM 135 CG ARG A 8 11.575 8.925 -0.995 1.00 0.00 C ATOM 136 CD ARG A 8 12.546 8.717 -2.160 1.00 0.00 C ATOM 137 NE ARG A 8 13.735 9.552 -1.822 1.00 0.00 N ATOM 138 CZ ARG A 8 13.692 10.860 -1.935 1.00 0.00 C ATOM 139 NH1 ARG A 8 12.605 11.465 -2.346 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.746 11.566 -1.631 1.00 0.00 N ATOM 0 H ARG A 8 7.767 8.372 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 8 9.770 7.037 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.169 7.948 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.662 9.542 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.642 9.950 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.843 8.273 -0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.818 7.667 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.101 9.027 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 8 14.592 9.102 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.776 10.920 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.587 12.482 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.595 11.102 -1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.721 12.582 -1.716 1.00 0.00 H new ATOM 276 N TYR A 17 9.619 2.921 0.800 1.00 0.00 N ATOM 277 CA TYR A 17 8.411 3.708 0.485 1.00 0.00 C ATOM 278 C TYR A 17 7.206 2.925 0.957 1.00 0.00 C ATOM 279 O TYR A 17 7.255 1.715 1.013 1.00 0.00 O ATOM 280 CB TYR A 17 8.347 3.803 -1.037 1.00 0.00 C ATOM 281 CG TYR A 17 9.664 4.230 -1.634 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.584 4.968 -0.888 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.948 3.892 -2.958 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.789 5.368 -1.461 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.151 4.290 -3.536 1.00 0.00 C ATOM 286 CZ TYR A 17 12.077 5.030 -2.789 1.00 0.00 C ATOM 287 OH TYR A 17 13.270 5.423 -3.361 1.00 0.00 O ATOM 0 HA TYR A 17 8.431 4.692 0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.060 2.835 -1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.572 4.514 -1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.361 5.230 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.235 3.322 -3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.500 5.938 -0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.370 4.028 -4.561 1.00 0.00 H new ATOM 0 HH TYR A 17 13.309 5.105 -4.287 1.00 0.00 H new ATOM 297 N ARG A 18 6.114 3.561 1.253 1.00 0.00 N ATOM 298 CA ARG A 18 4.940 2.755 1.648 1.00 0.00 C ATOM 299 C ARG A 18 3.981 2.726 0.471 1.00 0.00 C ATOM 300 O ARG A 18 4.055 3.549 -0.422 1.00 0.00 O ATOM 301 CB ARG A 18 4.354 3.382 2.934 1.00 0.00 C ATOM 302 CG ARG A 18 3.119 4.250 2.653 1.00 0.00 C ATOM 303 CD ARG A 18 2.715 4.969 3.943 1.00 0.00 C ATOM 304 NE ARG A 18 2.480 3.874 4.930 1.00 0.00 N ATOM 305 CZ ARG A 18 2.535 4.106 6.221 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.781 5.308 6.682 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.337 3.125 7.058 1.00 0.00 N ATOM 0 H ARG A 18 5.985 4.573 1.240 1.00 0.00 H new ATOM 0 HA ARG A 18 5.181 1.718 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.086 2.589 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.118 3.989 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.338 4.976 1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.297 3.631 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.500 5.646 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.817 5.570 3.797 1.00 0.00 H new ATOM 0 HE ARG A 18 2.274 2.932 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.933 6.081 6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.820 5.470 7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.141 2.187 6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.378 3.296 8.063 1.00 0.00 H new ATOM 321 N ILE A 19 3.082 1.805 0.462 1.00 0.00 N ATOM 322 CA ILE A 19 2.122 1.740 -0.645 1.00 0.00 C ATOM 323 C ILE A 19 0.893 2.433 -0.100 1.00 0.00 C ATOM 324 O ILE A 19 0.021 1.843 0.509 1.00 0.00 O ATOM 325 CB ILE A 19 1.894 0.251 -0.969 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.057 -0.636 -0.474 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.815 0.090 -2.483 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.827 -2.089 -0.899 1.00 0.00 C ATOM 0 H ILE A 19 2.971 1.089 1.180 1.00 0.00 H new ATOM 0 HA ILE A 19 2.436 2.216 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 19 0.976 -0.058 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.000 -0.274 -0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.135 -0.574 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.654 -0.959 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.987 0.685 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.747 0.429 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.653 -2.707 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.893 -2.450 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.771 -2.146 -1.986 1.00 0.00 H new ATOM 340 N VAL A 20 0.903 3.726 -0.232 1.00 0.00 N ATOM 341 CA VAL A 20 -0.156 4.568 0.353 1.00 0.00 C ATOM 342 C VAL A 20 -1.220 4.922 -0.692 1.00 0.00 C ATOM 343 O VAL A 20 -1.083 4.619 -1.859 1.00 0.00 O ATOM 344 CB VAL A 20 0.660 5.783 0.860 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.632 6.955 -0.123 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.126 6.238 2.211 1.00 0.00 C ATOM 0 H VAL A 20 1.624 4.243 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.738 4.099 1.146 1.00 0.00 H new ATOM 0 HB VAL A 20 1.696 5.459 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.219 7.781 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.055 6.640 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.398 7.280 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.704 7.093 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.921 6.525 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.212 5.423 2.929 1.00 0.00 H new ATOM 356 N VAL A 21 -2.304 5.510 -0.266 1.00 0.00 N ATOM 357 CA VAL A 21 -3.399 5.825 -1.218 1.00 0.00 C ATOM 358 C VAL A 21 -3.612 7.339 -1.315 1.00 0.00 C ATOM 359 O VAL A 21 -4.201 7.950 -0.446 1.00 0.00 O ATOM 360 CB VAL A 21 -4.667 5.140 -0.653 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.447 4.511 -1.803 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.331 4.031 0.354 1.00 0.00 C ATOM 0 H VAL A 21 -2.476 5.785 0.701 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.164 5.470 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.250 5.906 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.342 4.026 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.734 5.285 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.823 3.771 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.254 3.581 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.725 3.268 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.776 4.455 1.191 1.00 0.00 H new ATOM 372 N THR A 22 -3.146 7.944 -2.374 1.00 0.00 N ATOM 373 CA THR A 22 -3.330 9.417 -2.539 1.00 0.00 C ATOM 374 C THR A 22 -3.935 9.711 -3.914 1.00 0.00 C ATOM 375 O THR A 22 -4.385 8.820 -4.606 1.00 0.00 O ATOM 376 CB THR A 22 -1.927 10.027 -2.425 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.974 11.394 -2.810 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.948 9.277 -3.334 1.00 0.00 C ATOM 0 H THR A 22 -2.645 7.483 -3.133 1.00 0.00 H new ATOM 0 HA THR A 22 -4.004 9.833 -1.790 1.00 0.00 H new ATOM 0 HB THR A 22 -1.588 9.945 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.079 11.786 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.044 9.720 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.906 8.229 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.284 9.348 -4.368 1.00 0.00 H new ATOM 543 N TYR A 32 -1.808 11.620 1.316 1.00 0.00 N ATOM 544 CA TYR A 32 -2.685 10.493 0.868 1.00 0.00 C ATOM 545 C TYR A 32 -3.941 10.413 1.736 1.00 0.00 C ATOM 546 O TYR A 32 -4.050 11.070 2.753 1.00 0.00 O ATOM 547 CB TYR A 32 -1.853 9.209 1.029 1.00 0.00 C ATOM 548 CG TYR A 32 -1.184 9.183 2.385 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.916 8.824 3.522 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.168 9.523 2.502 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.296 8.804 4.776 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.789 9.502 3.756 1.00 0.00 C ATOM 553 CZ TYR A 32 0.057 9.142 4.894 1.00 0.00 C ATOM 554 OH TYR A 32 0.668 9.121 6.131 1.00 0.00 O ATOM 0 HA TYR A 32 -3.009 10.635 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.495 8.335 0.916 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.100 9.155 0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.960 8.562 3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.733 9.802 1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.862 8.528 5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.833 9.764 3.846 1.00 0.00 H new ATOM 0 HH TYR A 32 1.608 9.381 6.036 1.00 0.00 H new ATOM 564 N ILE A 33 -4.887 9.607 1.340 1.00 0.00 N ATOM 565 CA ILE A 33 -6.141 9.468 2.135 1.00 0.00 C ATOM 566 C ILE A 33 -5.901 8.524 3.317 1.00 0.00 C ATOM 567 O ILE A 33 -6.524 8.638 4.355 1.00 0.00 O ATOM 568 CB ILE A 33 -7.157 8.871 1.160 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.474 9.895 0.068 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.442 8.510 1.906 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.274 9.256 -1.307 1.00 0.00 C ATOM 0 H ILE A 33 -4.846 9.036 0.496 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.487 10.415 2.549 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.738 7.971 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.501 10.246 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.827 10.766 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.162 8.085 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.218 7.780 2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.863 9.407 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.500 9.986 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.240 8.927 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.939 8.399 -1.410 1.00 0.00 H new ATOM 583 N GLU A 34 -4.999 7.596 3.164 1.00 0.00 N ATOM 584 CA GLU A 34 -4.710 6.643 4.272 1.00 0.00 C ATOM 585 C GLU A 34 -3.525 5.750 3.896 1.00 0.00 C ATOM 586 O GLU A 34 -3.080 5.739 2.766 1.00 0.00 O ATOM 587 CB GLU A 34 -5.985 5.814 4.421 1.00 0.00 C ATOM 588 CG GLU A 34 -6.285 5.600 5.906 1.00 0.00 C ATOM 589 CD GLU A 34 -5.739 4.242 6.347 1.00 0.00 C ATOM 590 OE1 GLU A 34 -5.871 3.297 5.586 1.00 0.00 O ATOM 591 OE2 GLU A 34 -5.198 4.168 7.438 1.00 0.00 O ATOM 0 H GLU A 34 -4.448 7.456 2.317 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.445 7.149 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.820 6.323 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.867 4.853 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.832 6.395 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.360 5.646 6.081 1.00 0.00 H new ATOM 598 N LYS A 35 -3.011 5.000 4.830 1.00 0.00 N ATOM 599 CA LYS A 35 -1.858 4.108 4.517 1.00 0.00 C ATOM 600 C LYS A 35 -2.310 2.645 4.552 1.00 0.00 C ATOM 601 O LYS A 35 -2.813 2.168 5.550 1.00 0.00 O ATOM 602 CB LYS A 35 -0.817 4.390 5.607 1.00 0.00 C ATOM 603 CG LYS A 35 -1.331 3.910 6.969 1.00 0.00 C ATOM 604 CD LYS A 35 -0.800 4.829 8.071 1.00 0.00 C ATOM 605 CE LYS A 35 -1.860 4.981 9.167 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.285 5.965 10.127 1.00 0.00 N ATOM 0 H LYS A 35 -3.338 4.965 5.796 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.448 4.290 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.119 3.886 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.602 5.458 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.421 3.908 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.009 2.885 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.117 4.417 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.549 5.805 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.805 5.337 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.064 4.027 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.955 6.121 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.390 5.596 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.108 6.865 9.637 1.00 0.00 H new ATOM 620 N ILE A 36 -2.145 1.931 3.472 1.00 0.00 N ATOM 621 CA ILE A 36 -2.583 0.502 3.463 1.00 0.00 C ATOM 622 C ILE A 36 -1.411 -0.430 3.201 1.00 0.00 C ATOM 623 O ILE A 36 -1.393 -1.554 3.666 1.00 0.00 O ATOM 624 CB ILE A 36 -3.635 0.407 2.355 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.015 0.746 0.993 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.759 1.400 2.653 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.310 -0.483 0.423 1.00 0.00 C ATOM 0 H ILE A 36 -1.731 2.269 2.603 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.991 0.198 4.427 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.024 -0.611 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.790 1.083 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.305 1.566 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.514 1.341 1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.213 1.158 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.352 2.410 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.872 -0.235 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.523 -0.801 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.031 -1.291 0.299 1.00 0.00 H new ATOM 639 N GLY A 37 -0.434 0.008 2.467 1.00 0.00 N ATOM 640 CA GLY A 37 0.713 -0.885 2.198 1.00 0.00 C ATOM 641 C GLY A 37 2.018 -0.262 2.681 1.00 0.00 C ATOM 642 O GLY A 37 2.119 0.930 2.897 1.00 0.00 O ATOM 0 H GLY A 37 -0.381 0.936 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.557 -1.842 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.777 -1.088 1.129 1.00 0.00 H new ATOM 646 N TYR A 38 3.034 -1.070 2.789 1.00 0.00 N ATOM 647 CA TYR A 38 4.379 -0.573 3.186 1.00 0.00 C ATOM 648 C TYR A 38 5.407 -1.272 2.289 1.00 0.00 C ATOM 649 O TYR A 38 5.266 -2.441 1.986 1.00 0.00 O ATOM 650 CB TYR A 38 4.553 -0.979 4.649 1.00 0.00 C ATOM 651 CG TYR A 38 5.903 -0.517 5.142 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.056 0.777 5.655 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.001 -1.382 5.085 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.309 1.205 6.113 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.253 -0.956 5.543 1.00 0.00 C ATOM 656 CZ TYR A 38 8.407 0.338 6.058 1.00 0.00 C ATOM 657 OH TYR A 38 9.642 0.757 6.509 1.00 0.00 O ATOM 0 H TYR A 38 2.987 -2.074 2.615 1.00 0.00 H new ATOM 0 HA TYR A 38 4.501 0.505 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.762 -0.539 5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.468 -2.061 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.208 1.445 5.698 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.882 -2.379 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.428 2.203 6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.100 -1.624 5.499 1.00 0.00 H new ATOM 0 HH TYR A 38 10.346 0.330 5.978 1.00 0.00 H new ATOM 667 N TYR A 39 6.426 -0.587 1.840 1.00 0.00 N ATOM 668 CA TYR A 39 7.417 -1.263 0.947 1.00 0.00 C ATOM 669 C TYR A 39 8.844 -0.823 1.318 1.00 0.00 C ATOM 670 O TYR A 39 9.208 0.324 1.147 1.00 0.00 O ATOM 671 CB TYR A 39 7.061 -0.808 -0.473 1.00 0.00 C ATOM 672 CG TYR A 39 8.103 -1.318 -1.444 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.254 -2.693 -1.650 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.918 -0.414 -2.135 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.220 -3.166 -2.545 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.885 -0.886 -3.032 1.00 0.00 C ATOM 677 CZ TYR A 39 10.036 -2.263 -3.238 1.00 0.00 C ATOM 678 OH TYR A 39 10.988 -2.729 -4.121 1.00 0.00 O ATOM 0 H TYR A 39 6.615 0.394 2.047 1.00 0.00 H new ATOM 0 HA TYR A 39 7.383 -2.349 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.076 -1.184 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.011 0.280 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.624 -3.391 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.801 0.648 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.336 -4.228 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.514 -0.188 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 39 11.466 -1.971 -4.517 1.00 0.00 H new ATOM 688 N ASP A 40 9.657 -1.710 1.825 1.00 0.00 N ATOM 689 CA ASP A 40 11.050 -1.308 2.201 1.00 0.00 C ATOM 690 C ASP A 40 12.080 -2.228 1.531 1.00 0.00 C ATOM 691 O ASP A 40 12.545 -3.174 2.133 1.00 0.00 O ATOM 692 CB ASP A 40 11.104 -1.460 3.722 1.00 0.00 C ATOM 693 CG ASP A 40 12.454 -0.962 4.241 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.461 -1.312 3.648 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.459 -0.238 5.224 1.00 0.00 O ATOM 0 H ASP A 40 9.423 -2.688 1.995 1.00 0.00 H new ATOM 0 HA ASP A 40 11.285 -0.293 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.295 -0.894 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.960 -2.504 3.998 1.00 0.00 H new ATOM 838 N LEU A 49 7.977 -6.510 2.138 1.00 0.00 N ATOM 839 CA LEU A 49 6.570 -6.166 1.790 1.00 0.00 C ATOM 840 C LEU A 49 5.667 -6.235 3.023 1.00 0.00 C ATOM 841 O LEU A 49 5.616 -7.229 3.720 1.00 0.00 O ATOM 842 CB LEU A 49 6.154 -7.229 0.776 1.00 0.00 C ATOM 843 CG LEU A 49 4.965 -6.732 -0.045 1.00 0.00 C ATOM 844 CD1 LEU A 49 4.627 -7.768 -1.113 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.752 -6.535 0.867 1.00 0.00 C ATOM 0 HA LEU A 49 6.485 -5.152 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.990 -7.461 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.890 -8.152 1.292 1.00 0.00 H new ATOM 0 HG LEU A 49 5.221 -5.782 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.779 -7.419 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.488 -7.912 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.372 -8.714 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.907 -6.181 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.493 -7.483 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.991 -5.801 1.636 1.00 0.00 H new ATOM 857 N LYS A 50 4.936 -5.188 3.278 1.00 0.00 N ATOM 858 CA LYS A 50 4.009 -5.180 4.444 1.00 0.00 C ATOM 859 C LYS A 50 2.708 -4.481 4.048 1.00 0.00 C ATOM 860 O LYS A 50 2.610 -3.271 4.103 1.00 0.00 O ATOM 861 CB LYS A 50 4.743 -4.388 5.527 1.00 0.00 C ATOM 862 CG LYS A 50 5.515 -5.351 6.425 1.00 0.00 C ATOM 863 CD LYS A 50 5.672 -4.736 7.817 1.00 0.00 C ATOM 864 CE LYS A 50 4.295 -4.599 8.471 1.00 0.00 C ATOM 865 NZ LYS A 50 4.576 -4.428 9.923 1.00 0.00 N ATOM 0 H LYS A 50 4.940 -4.331 2.725 1.00 0.00 H new ATOM 0 HA LYS A 50 3.749 -6.181 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.427 -3.673 5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.030 -3.814 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.988 -6.303 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.495 -5.559 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.318 -5.362 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.150 -3.759 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.751 -3.744 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.681 -5.481 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.680 -4.327 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.089 -5.260 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.156 -3.577 10.066 1.00 0.00 H new ATOM 879 N VAL A 51 1.711 -5.218 3.630 1.00 0.00 N ATOM 880 CA VAL A 51 0.443 -4.553 3.219 1.00 0.00 C ATOM 881 C VAL A 51 -0.776 -5.183 3.884 1.00 0.00 C ATOM 882 O VAL A 51 -0.962 -6.383 3.876 1.00 0.00 O ATOM 883 CB VAL A 51 0.367 -4.720 1.679 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.091 -4.799 1.189 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.010 -3.518 1.013 1.00 0.00 C ATOM 0 H VAL A 51 1.720 -6.235 3.557 1.00 0.00 H new ATOM 0 HA VAL A 51 0.440 -3.506 3.523 1.00 0.00 H new ATOM 0 HB VAL A 51 0.883 -5.645 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.105 -4.916 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.585 -5.653 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.617 -3.884 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.959 -3.631 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.481 -2.612 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.053 -3.446 1.321 1.00 0.00 H new ATOM 895 N ASP A 52 -1.648 -4.356 4.373 1.00 0.00 N ATOM 896 CA ASP A 52 -2.908 -4.871 4.941 1.00 0.00 C ATOM 897 C ASP A 52 -3.837 -5.075 3.751 1.00 0.00 C ATOM 898 O ASP A 52 -4.751 -4.307 3.538 1.00 0.00 O ATOM 899 CB ASP A 52 -3.424 -3.759 5.859 1.00 0.00 C ATOM 900 CG ASP A 52 -4.335 -4.360 6.933 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.764 -5.489 6.756 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.589 -3.680 7.913 1.00 0.00 O ATOM 0 H ASP A 52 -1.539 -3.342 4.402 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.817 -5.801 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.586 -3.242 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.971 -3.018 5.277 1.00 0.00 H new ATOM 907 N VAL A 53 -3.547 -6.073 2.939 1.00 0.00 N ATOM 908 CA VAL A 53 -4.347 -6.341 1.691 1.00 0.00 C ATOM 909 C VAL A 53 -5.830 -5.985 1.875 1.00 0.00 C ATOM 910 O VAL A 53 -6.476 -5.549 0.947 1.00 0.00 O ATOM 911 CB VAL A 53 -4.123 -7.841 1.331 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.920 -8.698 2.584 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.315 -8.396 0.539 1.00 0.00 C ATOM 0 H VAL A 53 -2.777 -6.724 3.092 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.014 -5.708 0.869 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.221 -7.888 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.767 -9.737 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.047 -8.342 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.801 -8.626 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.136 -9.444 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.221 -8.311 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.435 -7.828 -0.384 1.00 0.00 H new ATOM 923 N GLU A 54 -6.366 -6.126 3.053 1.00 0.00 N ATOM 924 CA GLU A 54 -7.789 -5.744 3.240 1.00 0.00 C ATOM 925 C GLU A 54 -7.949 -4.257 2.927 1.00 0.00 C ATOM 926 O GLU A 54 -8.803 -3.859 2.159 1.00 0.00 O ATOM 927 CB GLU A 54 -8.108 -6.041 4.705 1.00 0.00 C ATOM 928 CG GLU A 54 -7.899 -7.530 4.981 1.00 0.00 C ATOM 929 CD GLU A 54 -8.694 -7.934 6.224 1.00 0.00 C ATOM 930 OE1 GLU A 54 -8.596 -7.236 7.218 1.00 0.00 O ATOM 931 OE2 GLU A 54 -9.386 -8.938 6.159 1.00 0.00 O ATOM 0 H GLU A 54 -5.889 -6.483 3.881 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.465 -6.291 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.467 -5.446 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.137 -5.760 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.222 -8.119 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.839 -7.738 5.130 1.00 0.00 H new ATOM 938 N ARG A 55 -7.114 -3.433 3.496 1.00 0.00 N ATOM 939 CA ARG A 55 -7.194 -1.977 3.208 1.00 0.00 C ATOM 940 C ARG A 55 -6.623 -1.711 1.816 1.00 0.00 C ATOM 941 O ARG A 55 -7.152 -0.936 1.053 1.00 0.00 O ATOM 942 CB ARG A 55 -6.341 -1.296 4.278 1.00 0.00 C ATOM 943 CG ARG A 55 -7.018 -1.427 5.641 1.00 0.00 C ATOM 944 CD ARG A 55 -8.318 -0.614 5.660 1.00 0.00 C ATOM 945 NE ARG A 55 -7.905 0.795 5.389 1.00 0.00 N ATOM 946 CZ ARG A 55 -8.804 1.744 5.258 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.083 1.478 5.355 1.00 0.00 N ATOM 948 NH2 ARG A 55 -8.418 2.970 5.031 1.00 0.00 N ATOM 0 H ARG A 55 -6.379 -3.707 4.149 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.218 -1.603 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.350 -1.749 4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.203 -0.244 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.232 -2.475 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.347 -1.075 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.017 -0.972 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.821 -0.698 6.624 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.914 1.023 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.393 0.523 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.769 2.226 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.424 3.186 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.110 3.712 4.928 1.00 0.00 H new ATOM 962 N ALA A 56 -5.562 -2.379 1.464 1.00 0.00 N ATOM 963 CA ALA A 56 -4.987 -2.189 0.114 1.00 0.00 C ATOM 964 C ALA A 56 -6.020 -2.670 -0.908 1.00 0.00 C ATOM 965 O ALA A 56 -6.023 -2.251 -2.049 1.00 0.00 O ATOM 966 CB ALA A 56 -3.719 -3.049 0.106 1.00 0.00 C ATOM 0 H ALA A 56 -5.071 -3.048 2.057 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.744 -1.155 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.229 -2.965 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.041 -2.704 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.984 -4.090 0.290 1.00 0.00 H new ATOM 972 N ARG A 57 -6.922 -3.531 -0.492 1.00 0.00 N ATOM 973 CA ARG A 57 -7.968 -4.013 -1.422 1.00 0.00 C ATOM 974 C ARG A 57 -9.154 -3.038 -1.414 1.00 0.00 C ATOM 975 O ARG A 57 -9.903 -2.943 -2.365 1.00 0.00 O ATOM 976 CB ARG A 57 -8.389 -5.387 -0.895 1.00 0.00 C ATOM 977 CG ARG A 57 -9.465 -5.984 -1.807 1.00 0.00 C ATOM 978 CD ARG A 57 -9.040 -7.389 -2.242 1.00 0.00 C ATOM 979 NE ARG A 57 -10.272 -8.011 -2.808 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.255 -9.242 -3.265 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.159 -9.958 -3.233 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.349 -9.759 -3.758 1.00 0.00 N ATOM 0 H ARG A 57 -6.970 -3.914 0.452 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.610 -4.079 -2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.526 -6.051 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.771 -5.296 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.419 -6.027 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.610 -5.349 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.243 -7.347 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.660 -7.965 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.138 -7.474 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.302 -9.561 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.163 -10.913 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.206 -9.207 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.346 -10.714 -4.115 1.00 0.00 H new ATOM 996 N TYR A 58 -9.304 -2.289 -0.348 1.00 0.00 N ATOM 997 CA TYR A 58 -10.406 -1.291 -0.266 1.00 0.00 C ATOM 998 C TYR A 58 -10.169 -0.263 -1.348 1.00 0.00 C ATOM 999 O TYR A 58 -11.035 0.105 -2.118 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.224 -0.645 1.114 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.909 0.708 1.195 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.127 0.920 0.539 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.321 1.750 1.928 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.758 2.167 0.618 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.952 2.996 2.004 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.171 3.205 1.350 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.794 4.433 1.426 1.00 0.00 O ATOM 0 H TYR A 58 -8.702 -2.330 0.474 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.403 -1.714 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.629 -1.305 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.161 -0.528 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.580 0.121 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.380 1.590 2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.699 2.328 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.498 3.797 2.568 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.254 5.040 1.974 1.00 0.00 H new ATOM 1017 N TRP A 59 -8.969 0.198 -1.371 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.561 1.218 -2.348 1.00 0.00 C ATOM 1019 C TRP A 59 -8.714 0.660 -3.746 1.00 0.00 C ATOM 1020 O TRP A 59 -9.393 1.222 -4.583 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.123 1.524 -1.952 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.237 2.200 -0.633 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.733 1.774 0.547 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -7.993 3.392 -0.353 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.115 2.671 1.536 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.896 3.690 1.021 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.734 4.240 -1.175 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.528 4.809 1.565 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.374 5.362 -0.640 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.272 5.649 0.727 1.00 0.00 C ATOM 0 H TRP A 59 -8.230 -0.098 -0.734 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.159 2.129 -2.349 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.528 0.613 -1.881 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.637 2.166 -2.687 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.135 0.887 0.695 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.853 2.589 2.518 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.814 4.029 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.444 5.025 2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.950 6.010 -1.284 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.767 6.518 1.135 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.146 -0.475 -3.993 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.322 -1.101 -5.326 1.00 0.00 C ATOM 1043 C LEU A 60 -9.825 -1.279 -5.580 1.00 0.00 C ATOM 1044 O LEU A 60 -10.270 -1.394 -6.705 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.619 -2.454 -5.236 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.167 -2.300 -5.681 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.342 -3.470 -5.145 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.104 -2.288 -7.210 1.00 0.00 C ATOM 0 H LEU A 60 -7.569 -0.998 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.910 -0.505 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.660 -2.830 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.129 -3.184 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.764 -1.365 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.305 -3.360 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.389 -3.479 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.743 -4.406 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.068 -2.178 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.507 -3.224 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.692 -1.454 -7.592 1.00 0.00 H new ATOM 1060 N SER A 61 -10.615 -1.289 -4.527 1.00 0.00 N ATOM 1061 CA SER A 61 -12.084 -1.446 -4.694 1.00 0.00 C ATOM 1062 C SER A 61 -12.708 -0.132 -5.178 1.00 0.00 C ATOM 1063 O SER A 61 -13.742 -0.126 -5.817 1.00 0.00 O ATOM 1064 CB SER A 61 -12.609 -1.809 -3.306 1.00 0.00 C ATOM 1065 OG SER A 61 -13.278 -3.062 -3.372 1.00 0.00 O ATOM 0 H SER A 61 -10.297 -1.195 -3.562 1.00 0.00 H new ATOM 0 HA SER A 61 -12.333 -2.207 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.785 -1.860 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.291 -1.037 -2.949 1.00 0.00 H new ATOM 0 HG SER A 61 -13.615 -3.300 -2.483 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.090 0.983 -4.884 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.653 2.280 -5.334 1.00 0.00 C ATOM 1073 C VAL A 62 -11.930 2.741 -6.595 1.00 0.00 C ATOM 1074 O VAL A 62 -11.762 3.920 -6.841 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.402 3.263 -4.189 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.119 2.798 -2.919 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.904 3.351 -3.911 1.00 0.00 C ATOM 0 H VAL A 62 -11.222 1.046 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.715 2.206 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.786 4.241 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.930 3.508 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.191 2.739 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.747 1.815 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.726 4.052 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.527 2.367 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.388 3.698 -4.806 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.507 1.810 -7.396 1.00 0.00 N ATOM 1088 CA GLY A 63 -10.796 2.164 -8.656 1.00 0.00 C ATOM 1089 C GLY A 63 -9.420 2.757 -8.336 1.00 0.00 C ATOM 1090 O GLY A 63 -8.852 3.479 -9.131 1.00 0.00 O ATOM 0 H GLY A 63 -11.623 0.810 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.682 1.277 -9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.386 2.881 -9.226 1.00 0.00 H new ATOM 1094 N ALA A 64 -8.871 2.460 -7.188 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.530 3.016 -6.849 1.00 0.00 C ATOM 1096 C ALA A 64 -6.483 2.460 -7.814 1.00 0.00 C ATOM 1097 O ALA A 64 -5.977 1.370 -7.634 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.236 2.556 -5.424 1.00 0.00 C ATOM 0 H ALA A 64 -9.290 1.861 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.507 4.103 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.261 2.933 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.004 2.940 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.233 1.467 -5.387 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.161 3.193 -8.839 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.156 2.697 -9.817 1.00 0.00 C ATOM 1106 C GLN A 65 -3.748 2.703 -9.197 1.00 0.00 C ATOM 1107 O GLN A 65 -3.215 3.752 -8.891 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.234 3.676 -10.988 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.159 3.103 -12.063 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.382 4.146 -13.161 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.087 5.309 -12.978 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.896 3.774 -14.302 1.00 0.00 N ATOM 0 H GLN A 65 -6.549 4.114 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.354 1.671 -10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.608 4.641 -10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.240 3.848 -11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.722 2.200 -12.489 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.113 2.817 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.144 2.796 -14.455 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.050 4.461 -15.040 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.185 1.529 -9.033 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.829 1.418 -8.459 1.00 0.00 C ATOM 1123 C PRO A 66 -0.783 1.575 -9.572 1.00 0.00 C ATOM 1124 O PRO A 66 -0.869 0.941 -10.605 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.806 0.008 -7.882 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.820 -0.770 -8.668 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.747 0.212 -9.349 1.00 0.00 C ATOM 0 HA PRO A 66 -1.603 2.179 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.815 -0.436 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.055 0.015 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.326 -1.401 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.384 -1.432 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.782 0.044 -10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.768 0.117 -8.978 1.00 0.00 H new ATOM 1135 N THR A 67 0.194 2.417 -9.378 1.00 0.00 N ATOM 1136 CA THR A 67 1.231 2.614 -10.438 1.00 0.00 C ATOM 1137 C THR A 67 1.838 1.270 -10.857 1.00 0.00 C ATOM 1138 O THR A 67 1.495 0.232 -10.327 1.00 0.00 O ATOM 1139 CB THR A 67 2.294 3.503 -9.793 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.307 3.791 -10.748 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.910 2.781 -8.595 1.00 0.00 C ATOM 0 H THR A 67 0.322 2.977 -8.535 1.00 0.00 H new ATOM 0 HA THR A 67 0.813 3.063 -11.339 1.00 0.00 H new ATOM 0 HB THR A 67 1.835 4.432 -9.455 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.990 4.362 -10.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.668 3.417 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.132 2.560 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.370 1.851 -8.928 1.00 0.00 H new ATOM 1149 N ASP A 68 2.747 1.285 -11.801 1.00 0.00 N ATOM 1150 CA ASP A 68 3.384 0.009 -12.252 1.00 0.00 C ATOM 1151 C ASP A 68 4.486 -0.404 -11.271 1.00 0.00 C ATOM 1152 O ASP A 68 5.619 -0.627 -11.647 1.00 0.00 O ATOM 1153 CB ASP A 68 3.976 0.322 -13.627 1.00 0.00 C ATOM 1154 CG ASP A 68 5.029 1.424 -13.493 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.642 2.576 -13.382 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.204 1.098 -13.506 1.00 0.00 O ATOM 0 H ASP A 68 3.075 2.125 -12.278 1.00 0.00 H new ATOM 0 HA ASP A 68 2.672 -0.815 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.426 -0.575 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.188 0.639 -14.310 1.00 0.00 H new ATOM 1161 N THR A 69 4.150 -0.505 -10.017 1.00 0.00 N ATOM 1162 CA THR A 69 5.143 -0.897 -8.980 1.00 0.00 C ATOM 1163 C THR A 69 4.382 -1.292 -7.721 1.00 0.00 C ATOM 1164 O THR A 69 4.442 -2.416 -7.264 1.00 0.00 O ATOM 1165 CB THR A 69 5.962 0.354 -8.722 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.433 0.886 -9.952 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.149 0.025 -7.812 1.00 0.00 C ATOM 0 H THR A 69 3.211 -0.329 -9.660 1.00 0.00 H new ATOM 0 HA THR A 69 5.775 -1.732 -9.282 1.00 0.00 H new ATOM 0 HB THR A 69 5.331 1.094 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.607 0.154 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.731 0.929 -7.632 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.782 -0.365 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.779 -0.723 -8.293 1.00 0.00 H new ATOM 1175 N ALA A 70 3.631 -0.370 -7.185 1.00 0.00 N ATOM 1176 CA ALA A 70 2.820 -0.675 -5.988 1.00 0.00 C ATOM 1177 C ALA A 70 1.740 -1.662 -6.403 1.00 0.00 C ATOM 1178 O ALA A 70 1.271 -2.460 -5.615 1.00 0.00 O ATOM 1179 CB ALA A 70 2.208 0.660 -5.566 1.00 0.00 C ATOM 0 H ALA A 70 3.548 0.586 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 70 3.390 -1.113 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.590 0.513 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.004 1.370 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.593 1.051 -6.377 1.00 0.00 H new ATOM 1185 N ARG A 71 1.371 -1.640 -7.658 1.00 0.00 N ATOM 1186 CA ARG A 71 0.361 -2.596 -8.138 1.00 0.00 C ATOM 1187 C ARG A 71 0.978 -3.975 -8.021 1.00 0.00 C ATOM 1188 O ARG A 71 0.364 -4.917 -7.562 1.00 0.00 O ATOM 1189 CB ARG A 71 0.107 -2.229 -9.606 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.746 -3.317 -10.270 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.434 -2.746 -11.513 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.320 -2.327 -12.413 1.00 0.00 N ATOM 1193 CZ ARG A 71 -0.529 -1.479 -13.393 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.719 -0.977 -13.609 1.00 0.00 N ATOM 1195 NH2 ARG A 71 0.464 -1.132 -14.165 1.00 0.00 N ATOM 0 H ARG A 71 1.732 -0.997 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.575 -2.575 -7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.401 -1.267 -9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.055 -2.124 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.120 -4.165 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.492 -3.687 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.068 -3.493 -11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.074 -1.901 -11.257 1.00 0.00 H new ATOM 0 HE ARG A 71 0.616 -2.704 -12.265 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.501 -1.244 -13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.864 -0.319 -14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.394 -1.519 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.310 -0.474 -14.929 1.00 0.00 H new ATOM 1209 N ARG A 72 2.218 -4.090 -8.408 1.00 0.00 N ATOM 1210 CA ARG A 72 2.893 -5.397 -8.296 1.00 0.00 C ATOM 1211 C ARG A 72 2.971 -5.787 -6.824 1.00 0.00 C ATOM 1212 O ARG A 72 2.727 -6.918 -6.453 1.00 0.00 O ATOM 1213 CB ARG A 72 4.288 -5.188 -8.882 1.00 0.00 C ATOM 1214 CG ARG A 72 4.362 -5.836 -10.265 1.00 0.00 C ATOM 1215 CD ARG A 72 4.789 -4.792 -11.298 1.00 0.00 C ATOM 1216 NE ARG A 72 4.488 -5.414 -12.620 1.00 0.00 N ATOM 1217 CZ ARG A 72 4.570 -4.712 -13.727 1.00 0.00 C ATOM 1218 NH1 ARG A 72 4.922 -3.450 -13.699 1.00 0.00 N ATOM 1219 NH2 ARG A 72 4.296 -5.278 -14.871 1.00 0.00 N ATOM 0 H ARG A 72 2.785 -3.335 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 72 2.366 -6.194 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.507 -4.123 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.040 -5.624 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.073 -6.662 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.392 -6.254 -10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.241 -3.859 -11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.849 -4.555 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 72 4.215 -6.396 -12.665 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.137 -3.000 -12.809 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.981 -2.918 -14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.020 -6.260 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.358 -4.739 -15.735 1.00 0.00 H new ATOM 1233 N LEU A 73 3.299 -4.847 -5.980 1.00 0.00 N ATOM 1234 CA LEU A 73 3.380 -5.145 -4.533 1.00 0.00 C ATOM 1235 C LEU A 73 1.980 -5.383 -3.986 1.00 0.00 C ATOM 1236 O LEU A 73 1.792 -6.139 -3.057 1.00 0.00 O ATOM 1237 CB LEU A 73 4.019 -3.911 -3.896 1.00 0.00 C ATOM 1238 CG LEU A 73 5.381 -3.661 -4.539 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.845 -2.237 -4.226 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.397 -4.660 -3.984 1.00 0.00 C ATOM 0 H LEU A 73 3.514 -3.884 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 73 3.965 -6.040 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.375 -3.042 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.132 -4.059 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 73 5.298 -3.785 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.817 -2.062 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.122 -1.524 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.926 -2.110 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.370 -4.482 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.477 -4.536 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.070 -5.675 -4.209 1.00 0.00 H new ATOM 1252 N LEU A 74 0.988 -4.774 -4.574 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.393 -5.020 -4.099 1.00 0.00 C ATOM 1254 C LEU A 74 -0.753 -6.453 -4.470 1.00 0.00 C ATOM 1255 O LEU A 74 -1.508 -7.119 -3.793 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.274 -4.014 -4.842 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.179 -2.655 -4.150 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.789 -1.578 -5.048 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.942 -2.703 -2.825 1.00 0.00 C ATOM 0 H LEU A 74 1.076 -4.124 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.516 -4.900 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.954 -3.930 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.308 -4.358 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.132 -2.419 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.720 -0.609 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.246 -1.542 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.836 -1.814 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.874 -1.734 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.988 -2.941 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.507 -3.469 -2.182 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.171 -6.940 -5.533 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.421 -8.336 -5.956 1.00 0.00 C ATOM 1273 C ARG A 75 0.450 -9.250 -5.103 1.00 0.00 C ATOM 1274 O ARG A 75 0.073 -10.350 -4.752 1.00 0.00 O ATOM 1275 CB ARG A 75 0.012 -8.388 -7.422 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.736 -9.509 -8.142 1.00 0.00 C ATOM 1277 CD ARG A 75 -0.090 -10.853 -7.803 1.00 0.00 C ATOM 1278 NE ARG A 75 0.559 -11.301 -9.070 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.216 -12.435 -9.124 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.319 -13.204 -8.069 1.00 0.00 N ATOM 1281 NH2 ARG A 75 1.776 -12.802 -10.245 1.00 0.00 N ATOM 0 H ARG A 75 0.473 -6.419 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.459 -8.650 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.192 -7.433 -7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.087 -8.555 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.784 -9.512 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.712 -9.343 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.641 -10.748 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.834 -11.574 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 75 0.491 -10.718 -9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.885 -12.924 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.833 -14.083 -8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.701 -12.208 -11.071 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.289 -13.682 -10.295 1.00 0.00 H new ATOM 1295 N GLN A 76 1.615 -8.775 -4.758 1.00 0.00 N ATOM 1296 CA GLN A 76 2.536 -9.568 -3.915 1.00 0.00 C ATOM 1297 C GLN A 76 2.087 -9.501 -2.464 1.00 0.00 C ATOM 1298 O GLN A 76 2.338 -10.389 -1.673 1.00 0.00 O ATOM 1299 CB GLN A 76 3.881 -8.889 -4.108 1.00 0.00 C ATOM 1300 CG GLN A 76 5.014 -9.901 -3.932 1.00 0.00 C ATOM 1301 CD GLN A 76 6.050 -9.699 -5.040 1.00 0.00 C ATOM 1302 OE1 GLN A 76 7.238 -9.699 -4.784 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.647 -9.528 -6.270 1.00 0.00 N ATOM 0 H GLN A 76 1.967 -7.858 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 76 2.569 -10.625 -4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.932 -8.444 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.993 -8.078 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.481 -9.775 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.619 -10.916 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.650 -9.528 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.329 -9.394 -7.016 1.00 0.00 H new ATOM 1312 N ALA A 77 1.410 -8.454 -2.126 1.00 0.00 N ATOM 1313 CA ALA A 77 0.906 -8.301 -0.741 1.00 0.00 C ATOM 1314 C ALA A 77 -0.198 -9.329 -0.466 1.00 0.00 C ATOM 1315 O ALA A 77 -0.630 -9.504 0.656 1.00 0.00 O ATOM 1316 CB ALA A 77 0.338 -6.885 -0.686 1.00 0.00 C ATOM 0 H ALA A 77 1.179 -7.686 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 77 1.685 -8.460 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.058 -6.690 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.127 -6.167 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.462 -6.785 -1.420 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.658 -10.013 -1.484 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.732 -11.025 -1.280 1.00 0.00 C ATOM 1324 C GLY A 78 -3.100 -10.407 -1.590 1.00 0.00 C ATOM 1325 O GLY A 78 -4.120 -10.896 -1.147 1.00 0.00 O ATOM 0 H GLY A 78 -0.334 -9.912 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.558 -11.887 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.712 -11.387 -0.252 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.137 -9.339 -2.346 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.451 -8.711 -2.671 1.00 0.00 C ATOM 1331 C VAL A 79 -5.080 -9.384 -3.892 1.00 0.00 C ATOM 1332 O VAL A 79 -6.083 -10.061 -3.790 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.160 -7.241 -2.966 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.477 -6.467 -3.043 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.288 -6.643 -1.857 1.00 0.00 C ATOM 0 H VAL A 79 -2.321 -8.879 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.155 -8.819 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.631 -7.168 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.271 -5.418 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.097 -6.882 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.004 -6.550 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.087 -5.595 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.810 -6.719 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.346 -7.189 -1.800 1.00 0.00 H new