USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=10 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+ -142:sc= 0 (180deg=-0.00931) 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 -130:sc= 0.0103 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.303 K(o=-0.3,f=-3.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 76 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.397 8.172 -7.250 1.00 0.00 N ATOM 21 CA VAL A 2 -7.442 7.755 -6.185 1.00 0.00 C ATOM 22 C VAL A 2 -6.429 6.752 -6.743 1.00 0.00 C ATOM 23 O VAL A 2 -6.762 5.894 -7.536 1.00 0.00 O ATOM 24 CB VAL A 2 -8.306 7.099 -5.107 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.411 6.574 -3.983 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.280 8.135 -4.540 1.00 0.00 C ATOM 0 HA VAL A 2 -6.872 8.597 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.864 6.270 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.028 6.107 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.714 5.839 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.853 7.402 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.898 7.671 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.719 8.962 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.918 8.511 -5.340 1.00 0.00 H new ATOM 36 N LYS A 3 -5.197 6.854 -6.331 1.00 0.00 N ATOM 37 CA LYS A 3 -4.164 5.905 -6.832 1.00 0.00 C ATOM 38 C LYS A 3 -3.229 5.498 -5.690 1.00 0.00 C ATOM 39 O LYS A 3 -2.815 6.317 -4.892 1.00 0.00 O ATOM 40 CB LYS A 3 -3.394 6.681 -7.903 1.00 0.00 C ATOM 41 CG LYS A 3 -4.169 6.639 -9.221 1.00 0.00 C ATOM 42 CD LYS A 3 -4.950 7.943 -9.395 1.00 0.00 C ATOM 43 CE LYS A 3 -6.312 7.642 -10.024 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.036 7.454 -11.474 1.00 0.00 N ATOM 0 H LYS A 3 -4.860 7.553 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.602 4.990 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.251 7.714 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.403 6.249 -8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.481 6.500 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.852 5.790 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.083 8.431 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.390 8.633 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.758 6.748 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.012 8.461 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.810 7.869 -12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.141 7.923 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.964 6.438 -11.685 1.00 0.00 H new ATOM 58 N ILE A 4 -2.898 4.237 -5.603 1.00 0.00 N ATOM 59 CA ILE A 4 -1.996 3.775 -4.515 1.00 0.00 C ATOM 60 C ILE A 4 -0.581 3.636 -5.080 1.00 0.00 C ATOM 61 O ILE A 4 -0.384 3.128 -6.164 1.00 0.00 O ATOM 62 CB ILE A 4 -2.581 2.433 -4.041 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.796 2.703 -3.150 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.552 1.632 -3.228 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.905 3.347 -3.975 1.00 0.00 C ATOM 0 H ILE A 4 -3.216 3.508 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.930 4.466 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.862 1.855 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.151 1.771 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.516 3.358 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.996 0.689 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.677 1.430 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.252 2.208 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.768 3.538 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.548 4.288 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.193 2.676 -4.784 1.00 0.00 H new ATOM 77 N ARG A 5 0.403 4.097 -4.366 1.00 0.00 N ATOM 78 CA ARG A 5 1.791 4.002 -4.886 1.00 0.00 C ATOM 79 C ARG A 5 2.792 3.907 -3.738 1.00 0.00 C ATOM 80 O ARG A 5 2.437 4.024 -2.585 1.00 0.00 O ATOM 81 CB ARG A 5 2.004 5.294 -5.677 1.00 0.00 C ATOM 82 CG ARG A 5 1.740 6.499 -4.770 1.00 0.00 C ATOM 83 CD ARG A 5 2.256 7.771 -5.447 1.00 0.00 C ATOM 84 NE ARG A 5 1.112 8.261 -6.269 1.00 0.00 N ATOM 85 CZ ARG A 5 1.089 9.492 -6.723 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.068 10.324 -6.466 1.00 0.00 N ATOM 87 NH2 ARG A 5 0.076 9.893 -7.441 1.00 0.00 N ATOM 0 H ARG A 5 0.307 4.534 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 5 1.937 3.114 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.023 5.333 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.336 5.320 -6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.673 6.589 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.235 6.359 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.560 8.515 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.127 7.562 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 5 0.338 7.631 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.863 10.018 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.035 11.278 -6.826 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.690 9.251 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.050 10.848 -7.798 1.00 0.00 H new ATOM 101 N LEU A 6 4.047 3.725 -4.046 1.00 0.00 N ATOM 102 CA LEU A 6 5.066 3.651 -2.958 1.00 0.00 C ATOM 103 C LEU A 6 5.561 5.067 -2.643 1.00 0.00 C ATOM 104 O LEU A 6 5.951 5.812 -3.519 1.00 0.00 O ATOM 105 CB LEU A 6 6.202 2.758 -3.484 1.00 0.00 C ATOM 106 CG LEU A 6 6.706 3.260 -4.838 1.00 0.00 C ATOM 107 CD1 LEU A 6 8.148 3.749 -4.694 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.660 2.111 -5.848 1.00 0.00 C ATOM 0 H LEU A 6 4.410 3.625 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 6 4.662 3.233 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.023 2.746 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.849 1.731 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 6 6.076 4.080 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.509 4.107 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.186 4.561 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.778 2.928 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.018 2.463 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.294 1.296 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.635 1.755 -5.948 1.00 0.00 H new ATOM 120 N ALA A 7 5.492 5.454 -1.396 1.00 0.00 N ATOM 121 CA ALA A 7 5.895 6.836 -1.004 1.00 0.00 C ATOM 122 C ALA A 7 7.312 6.876 -0.428 1.00 0.00 C ATOM 123 O ALA A 7 7.555 6.410 0.656 1.00 0.00 O ATOM 124 CB ALA A 7 4.888 7.192 0.083 1.00 0.00 C ATOM 0 H ALA A 7 5.171 4.866 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 7 5.900 7.520 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.089 8.198 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.879 7.151 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.974 6.482 0.905 1.00 0.00 H new ATOM 130 N ARG A 8 8.243 7.443 -1.140 1.00 0.00 N ATOM 131 CA ARG A 8 9.640 7.515 -0.622 1.00 0.00 C ATOM 132 C ARG A 8 9.758 8.542 0.510 1.00 0.00 C ATOM 133 O ARG A 8 9.495 9.713 0.325 1.00 0.00 O ATOM 134 CB ARG A 8 10.476 7.964 -1.816 1.00 0.00 C ATOM 135 CG ARG A 8 11.958 7.700 -1.539 1.00 0.00 C ATOM 136 CD ARG A 8 12.787 8.159 -2.740 1.00 0.00 C ATOM 137 NE ARG A 8 12.549 9.629 -2.830 1.00 0.00 N ATOM 138 CZ ARG A 8 12.788 10.283 -3.943 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.244 9.665 -5.004 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.567 11.567 -3.994 1.00 0.00 N ATOM 0 H ARG A 8 8.099 7.861 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 8 9.965 6.558 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.163 7.429 -2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.315 9.025 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.272 8.232 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.122 6.638 -1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.845 7.938 -2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.475 7.651 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 8 12.196 10.133 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.419 8.661 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.424 10.188 -5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.211 12.056 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.750 12.082 -4.855 1.00 0.00 H new ATOM 276 N TYR A 17 9.458 2.731 1.317 1.00 0.00 N ATOM 277 CA TYR A 17 8.330 3.508 0.762 1.00 0.00 C ATOM 278 C TYR A 17 7.039 2.919 1.285 1.00 0.00 C ATOM 279 O TYR A 17 6.969 1.740 1.548 1.00 0.00 O ATOM 280 CB TYR A 17 8.367 3.292 -0.747 1.00 0.00 C ATOM 281 CG TYR A 17 9.690 3.692 -1.352 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.858 2.986 -1.043 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.736 4.758 -2.256 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.070 3.350 -1.633 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.948 5.122 -2.847 1.00 0.00 C ATOM 286 CZ TYR A 17 12.117 4.418 -2.536 1.00 0.00 C ATOM 287 OH TYR A 17 13.315 4.776 -3.119 1.00 0.00 O ATOM 0 HA TYR A 17 8.396 4.563 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.173 2.242 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.568 3.868 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.822 2.160 -0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.834 5.300 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.972 2.807 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.983 5.946 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 17 13.172 5.536 -3.721 1.00 0.00 H new ATOM 297 N ARG A 18 6.007 3.697 1.410 1.00 0.00 N ATOM 298 CA ARG A 18 4.741 3.112 1.881 1.00 0.00 C ATOM 299 C ARG A 18 3.802 2.974 0.699 1.00 0.00 C ATOM 300 O ARG A 18 3.832 3.766 -0.216 1.00 0.00 O ATOM 301 CB ARG A 18 4.185 4.081 2.918 1.00 0.00 C ATOM 302 CG ARG A 18 3.355 3.306 3.924 1.00 0.00 C ATOM 303 CD ARG A 18 2.839 4.255 5.004 1.00 0.00 C ATOM 304 NE ARG A 18 2.987 3.501 6.282 1.00 0.00 N ATOM 305 CZ ARG A 18 4.162 3.369 6.854 1.00 0.00 C ATOM 306 NH1 ARG A 18 5.235 3.893 6.316 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.262 2.706 7.973 1.00 0.00 N ATOM 0 H ARG A 18 5.989 4.697 1.209 1.00 0.00 H new ATOM 0 HA ARG A 18 4.871 2.123 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.000 4.600 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.574 4.842 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.518 2.820 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.957 2.517 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.414 5.181 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.799 4.529 4.825 1.00 0.00 H new ATOM 0 HE ARG A 18 2.165 3.082 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.165 4.412 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.140 3.782 6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.431 2.294 8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.171 2.599 8.423 1.00 0.00 H new ATOM 321 N ILE A 19 2.936 2.011 0.726 1.00 0.00 N ATOM 322 CA ILE A 19 1.978 1.871 -0.388 1.00 0.00 C ATOM 323 C ILE A 19 0.744 2.555 0.144 1.00 0.00 C ATOM 324 O ILE A 19 -0.143 1.963 0.725 1.00 0.00 O ATOM 325 CB ILE A 19 1.771 0.371 -0.639 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.007 -0.446 -0.233 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.542 0.128 -2.125 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.210 0.032 -1.050 1.00 0.00 C ATOM 0 H ILE A 19 2.851 1.318 1.469 1.00 0.00 H new ATOM 0 HA ILE A 19 2.285 2.304 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 19 0.913 0.060 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.204 -0.327 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.831 -1.507 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.395 -0.938 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.657 0.675 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.409 0.473 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.092 -0.543 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.008 -0.110 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.387 1.089 -0.852 1.00 0.00 H new ATOM 340 N VAL A 20 0.782 3.845 0.039 1.00 0.00 N ATOM 341 CA VAL A 20 -0.262 4.701 0.619 1.00 0.00 C ATOM 342 C VAL A 20 -1.298 5.089 -0.443 1.00 0.00 C ATOM 343 O VAL A 20 -1.141 4.802 -1.613 1.00 0.00 O ATOM 344 CB VAL A 20 0.588 5.882 1.151 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.513 7.106 0.240 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.145 6.259 2.556 1.00 0.00 C ATOM 0 H VAL A 20 1.523 4.354 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.874 4.247 1.399 1.00 0.00 H new ATOM 0 HB VAL A 20 1.625 5.547 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.125 7.907 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.882 6.845 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.521 7.441 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.750 7.090 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.904 6.554 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.271 5.403 3.219 1.00 0.00 H new ATOM 356 N VAL A 21 -2.383 5.682 -0.027 1.00 0.00 N ATOM 357 CA VAL A 21 -3.458 6.017 -1.004 1.00 0.00 C ATOM 358 C VAL A 21 -3.655 7.530 -1.125 1.00 0.00 C ATOM 359 O VAL A 21 -4.200 8.164 -0.249 1.00 0.00 O ATOM 360 CB VAL A 21 -4.743 5.360 -0.453 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.657 5.014 -1.616 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.435 4.068 0.315 1.00 0.00 C ATOM 0 H VAL A 21 -2.571 5.948 0.940 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.202 5.656 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.216 6.067 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.567 4.549 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.913 5.923 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.147 4.321 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.364 3.636 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.945 3.357 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.777 4.292 1.155 1.00 0.00 H new ATOM 372 N THR A 22 -3.241 8.106 -2.221 1.00 0.00 N ATOM 373 CA THR A 22 -3.429 9.578 -2.407 1.00 0.00 C ATOM 374 C THR A 22 -4.159 9.851 -3.725 1.00 0.00 C ATOM 375 O THR A 22 -4.497 8.941 -4.456 1.00 0.00 O ATOM 376 CB THR A 22 -2.022 10.197 -2.435 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.101 11.506 -2.980 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.078 9.349 -3.293 1.00 0.00 C ATOM 0 H THR A 22 -2.782 7.625 -2.995 1.00 0.00 H new ATOM 0 HA THR A 22 -4.029 10.007 -1.604 1.00 0.00 H new ATOM 0 HB THR A 22 -1.632 10.235 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.207 11.907 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.087 9.803 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.013 8.343 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.461 9.296 -4.312 1.00 0.00 H new ATOM 543 N TYR A 32 -1.855 11.924 1.308 1.00 0.00 N ATOM 544 CA TYR A 32 -2.713 10.772 0.893 1.00 0.00 C ATOM 545 C TYR A 32 -3.958 10.702 1.781 1.00 0.00 C ATOM 546 O TYR A 32 -4.279 11.632 2.494 1.00 0.00 O ATOM 547 CB TYR A 32 -1.853 9.509 1.069 1.00 0.00 C ATOM 548 CG TYR A 32 -1.180 9.515 2.423 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.882 9.088 3.556 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.147 9.949 2.543 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.260 9.095 4.810 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.770 9.956 3.796 1.00 0.00 C ATOM 553 CZ TYR A 32 0.067 9.528 4.931 1.00 0.00 C ATOM 554 OH TYR A 32 0.681 9.533 6.167 1.00 0.00 O ATOM 0 HA TYR A 32 -3.052 10.874 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.476 8.620 0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.101 9.461 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.904 8.753 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.689 10.278 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.803 8.767 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.792 10.291 3.889 1.00 0.00 H new ATOM 0 HH TYR A 32 1.600 9.861 6.074 1.00 0.00 H new ATOM 564 N ILE A 33 -4.666 9.609 1.734 1.00 0.00 N ATOM 565 CA ILE A 33 -5.895 9.475 2.564 1.00 0.00 C ATOM 566 C ILE A 33 -5.653 8.500 3.719 1.00 0.00 C ATOM 567 O ILE A 33 -6.151 8.684 4.811 1.00 0.00 O ATOM 568 CB ILE A 33 -6.948 8.923 1.601 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.252 9.968 0.526 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.229 8.597 2.370 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.508 9.268 -0.809 1.00 0.00 C ATOM 0 H ILE A 33 -4.446 8.799 1.154 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.202 10.419 3.014 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.568 8.016 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.123 10.557 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.416 10.661 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.977 8.204 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.014 7.852 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.611 9.502 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.725 10.013 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.624 8.698 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.358 8.593 -0.709 1.00 0.00 H new ATOM 583 N GLU A 34 -4.894 7.463 3.488 1.00 0.00 N ATOM 584 CA GLU A 34 -4.629 6.481 4.577 1.00 0.00 C ATOM 585 C GLU A 34 -3.431 5.599 4.220 1.00 0.00 C ATOM 586 O GLU A 34 -2.877 5.690 3.143 1.00 0.00 O ATOM 587 CB GLU A 34 -5.904 5.640 4.666 1.00 0.00 C ATOM 588 CG GLU A 34 -6.665 5.991 5.946 1.00 0.00 C ATOM 589 CD GLU A 34 -8.163 5.768 5.732 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.567 5.627 4.589 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.884 5.741 6.717 1.00 0.00 O ATOM 0 H GLU A 34 -4.447 7.254 2.595 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.391 6.969 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.534 5.823 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.653 4.579 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.310 5.375 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.477 7.029 6.219 1.00 0.00 H new ATOM 598 N LYS A 35 -3.033 4.742 5.120 1.00 0.00 N ATOM 599 CA LYS A 35 -1.874 3.846 4.843 1.00 0.00 C ATOM 600 C LYS A 35 -2.361 2.403 4.698 1.00 0.00 C ATOM 601 O LYS A 35 -2.768 1.779 5.657 1.00 0.00 O ATOM 602 CB LYS A 35 -0.968 3.988 6.066 1.00 0.00 C ATOM 603 CG LYS A 35 -0.476 5.432 6.166 1.00 0.00 C ATOM 604 CD LYS A 35 -0.720 5.960 7.581 1.00 0.00 C ATOM 605 CE LYS A 35 0.545 5.769 8.423 1.00 0.00 C ATOM 606 NZ LYS A 35 0.204 4.687 9.388 1.00 0.00 N ATOM 0 H LYS A 35 -3.462 4.623 6.038 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.353 4.104 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.512 3.714 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.120 3.308 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.586 5.482 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.997 6.056 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.990 7.015 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.557 5.432 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.395 5.490 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.817 6.689 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.022 4.498 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.604 4.984 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.044 3.822 8.866 1.00 0.00 H new ATOM 620 N ILE A 36 -2.330 1.868 3.509 1.00 0.00 N ATOM 621 CA ILE A 36 -2.807 0.461 3.327 1.00 0.00 C ATOM 622 C ILE A 36 -1.645 -0.486 3.116 1.00 0.00 C ATOM 623 O ILE A 36 -1.695 -1.633 3.520 1.00 0.00 O ATOM 624 CB ILE A 36 -3.712 0.494 2.101 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.930 1.014 0.888 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.895 1.415 2.388 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.827 1.009 -0.347 1.00 0.00 C ATOM 0 H ILE A 36 -2.000 2.334 2.663 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.336 0.100 4.209 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.071 -0.511 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.569 2.024 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.053 0.390 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.551 1.447 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.450 1.037 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.530 2.419 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.266 1.379 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.166 -0.008 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.690 1.652 -0.173 1.00 0.00 H new ATOM 639 N GLY A 37 -0.604 -0.040 2.488 1.00 0.00 N ATOM 640 CA GLY A 37 0.534 -0.956 2.265 1.00 0.00 C ATOM 641 C GLY A 37 1.833 -0.342 2.758 1.00 0.00 C ATOM 642 O GLY A 37 1.931 0.841 2.997 1.00 0.00 O ATOM 0 H GLY A 37 -0.492 0.906 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.354 -1.898 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.617 -1.187 1.203 1.00 0.00 H new ATOM 646 N TYR A 38 2.844 -1.152 2.873 1.00 0.00 N ATOM 647 CA TYR A 38 4.174 -0.652 3.309 1.00 0.00 C ATOM 648 C TYR A 38 5.244 -1.330 2.453 1.00 0.00 C ATOM 649 O TYR A 38 5.127 -2.495 2.125 1.00 0.00 O ATOM 650 CB TYR A 38 4.305 -1.068 4.775 1.00 0.00 C ATOM 651 CG TYR A 38 5.696 -0.741 5.267 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.114 0.592 5.347 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.566 -1.772 5.642 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.403 0.896 5.800 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.855 -1.468 6.095 1.00 0.00 C ATOM 656 CZ TYR A 38 8.273 -0.134 6.174 1.00 0.00 C ATOM 657 OH TYR A 38 9.545 0.165 6.622 1.00 0.00 O ATOM 0 H TYR A 38 2.805 -2.153 2.681 1.00 0.00 H new ATOM 0 HA TYR A 38 4.286 0.427 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.562 -0.548 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.112 -2.136 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.442 1.387 5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.243 -2.801 5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.726 1.925 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.527 -2.262 6.384 1.00 0.00 H new ATOM 0 HH TYR A 38 10.018 -0.665 6.841 1.00 0.00 H new ATOM 667 N TYR A 39 6.283 -0.632 2.084 1.00 0.00 N ATOM 668 CA TYR A 39 7.329 -1.288 1.252 1.00 0.00 C ATOM 669 C TYR A 39 8.723 -0.948 1.795 1.00 0.00 C ATOM 670 O TYR A 39 9.033 0.200 2.041 1.00 0.00 O ATOM 671 CB TYR A 39 7.163 -0.744 -0.169 1.00 0.00 C ATOM 672 CG TYR A 39 8.279 -1.260 -1.063 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.882 -2.504 -0.808 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.707 -0.494 -2.153 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.907 -2.972 -1.638 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.730 -0.965 -2.983 1.00 0.00 C ATOM 677 CZ TYR A 39 10.331 -2.202 -2.725 1.00 0.00 C ATOM 678 OH TYR A 39 11.340 -2.665 -3.546 1.00 0.00 O ATOM 0 H TYR A 39 6.451 0.347 2.318 1.00 0.00 H new ATOM 0 HA TYR A 39 7.225 -2.373 1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.196 -1.046 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.175 0.346 -0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.553 -3.100 0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.247 0.462 -2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.370 -3.927 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.057 -0.372 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 39 11.513 -2.009 -4.254 1.00 0.00 H new ATOM 688 N ASP A 40 9.563 -1.927 1.984 1.00 0.00 N ATOM 689 CA ASP A 40 10.930 -1.636 2.511 1.00 0.00 C ATOM 690 C ASP A 40 11.976 -2.461 1.753 1.00 0.00 C ATOM 691 O ASP A 40 12.285 -3.567 2.144 1.00 0.00 O ATOM 692 CB ASP A 40 10.884 -2.054 3.981 1.00 0.00 C ATOM 693 CG ASP A 40 12.241 -1.784 4.640 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.160 -1.403 3.932 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.337 -1.963 5.843 1.00 0.00 O ATOM 0 H ASP A 40 9.366 -2.911 1.799 1.00 0.00 H new ATOM 0 HA ASP A 40 11.204 -0.588 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.101 -1.503 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.635 -3.112 4.060 1.00 0.00 H new ATOM 838 N LEU A 49 7.878 -6.826 1.970 1.00 0.00 N ATOM 839 CA LEU A 49 6.613 -6.058 1.765 1.00 0.00 C ATOM 840 C LEU A 49 5.566 -6.435 2.813 1.00 0.00 C ATOM 841 O LEU A 49 5.329 -7.596 3.088 1.00 0.00 O ATOM 842 CB LEU A 49 6.129 -6.452 0.370 1.00 0.00 C ATOM 843 CG LEU A 49 5.258 -5.333 -0.206 1.00 0.00 C ATOM 844 CD1 LEU A 49 6.135 -4.138 -0.586 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.527 -5.849 -1.446 1.00 0.00 C ATOM 0 HA LEU A 49 6.776 -4.984 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.982 -6.636 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.560 -7.380 0.420 1.00 0.00 H new ATOM 0 HG LEU A 49 4.531 -5.018 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.511 -3.344 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.654 -3.771 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.866 -4.446 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.906 -5.054 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.256 -6.165 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.898 -6.696 -1.172 1.00 0.00 H new ATOM 857 N LYS A 50 4.925 -5.455 3.386 1.00 0.00 N ATOM 858 CA LYS A 50 3.874 -5.735 4.404 1.00 0.00 C ATOM 859 C LYS A 50 2.634 -4.900 4.087 1.00 0.00 C ATOM 860 O LYS A 50 2.556 -3.735 4.426 1.00 0.00 O ATOM 861 CB LYS A 50 4.482 -5.311 5.741 1.00 0.00 C ATOM 862 CG LYS A 50 3.585 -5.791 6.883 1.00 0.00 C ATOM 863 CD LYS A 50 4.434 -6.035 8.133 1.00 0.00 C ATOM 864 CE LYS A 50 4.136 -7.430 8.689 1.00 0.00 C ATOM 865 NZ LYS A 50 3.381 -7.187 9.952 1.00 0.00 N ATOM 0 H LYS A 50 5.085 -4.466 3.192 1.00 0.00 H new ATOM 0 HA LYS A 50 3.572 -6.782 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.482 -5.732 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.587 -4.227 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.816 -5.047 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.071 -6.708 6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.493 -5.948 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.217 -5.278 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.548 -8.019 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.055 -7.984 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.140 -8.097 10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.968 -6.630 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.508 -6.664 9.739 1.00 0.00 H new ATOM 879 N VAL A 51 1.669 -5.476 3.427 1.00 0.00 N ATOM 880 CA VAL A 51 0.451 -4.694 3.080 1.00 0.00 C ATOM 881 C VAL A 51 -0.785 -5.278 3.762 1.00 0.00 C ATOM 882 O VAL A 51 -0.899 -6.469 3.977 1.00 0.00 O ATOM 883 CB VAL A 51 0.332 -4.799 1.537 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.125 -5.015 1.085 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.817 -3.510 0.898 1.00 0.00 C ATOM 0 H VAL A 51 1.670 -6.447 3.115 1.00 0.00 H new ATOM 0 HA VAL A 51 0.523 -3.659 3.414 1.00 0.00 H new ATOM 0 HB VAL A 51 0.936 -5.652 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.162 -5.083 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.508 -5.938 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.737 -4.177 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.732 -3.587 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.209 -2.677 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.859 -3.339 1.169 1.00 0.00 H new ATOM 895 N ASP A 52 -1.739 -4.442 4.021 1.00 0.00 N ATOM 896 CA ASP A 52 -3.011 -4.921 4.593 1.00 0.00 C ATOM 897 C ASP A 52 -3.961 -5.088 3.414 1.00 0.00 C ATOM 898 O ASP A 52 -4.892 -4.323 3.252 1.00 0.00 O ATOM 899 CB ASP A 52 -3.485 -3.806 5.528 1.00 0.00 C ATOM 900 CG ASP A 52 -4.190 -4.416 6.742 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.559 -5.577 6.668 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.352 -3.710 7.723 1.00 0.00 O ATOM 0 H ASP A 52 -1.689 -3.436 3.858 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.941 -5.860 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.636 -3.205 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.164 -3.138 4.998 1.00 0.00 H new ATOM 907 N VAL A 53 -3.681 -6.052 2.552 1.00 0.00 N ATOM 908 CA VAL A 53 -4.515 -6.270 1.318 1.00 0.00 C ATOM 909 C VAL A 53 -5.997 -5.969 1.580 1.00 0.00 C ATOM 910 O VAL A 53 -6.693 -5.517 0.700 1.00 0.00 O ATOM 911 CB VAL A 53 -4.267 -7.736 0.842 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.927 -8.669 2.007 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.501 -8.289 0.109 1.00 0.00 C ATOM 0 H VAL A 53 -2.901 -6.702 2.655 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.223 -5.580 0.527 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.415 -7.701 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.763 -9.678 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.023 -8.316 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.753 -8.678 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.305 -9.312 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.359 -8.279 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.715 -7.669 -0.761 1.00 0.00 H new ATOM 923 N GLU A 54 -6.480 -6.173 2.774 1.00 0.00 N ATOM 924 CA GLU A 54 -7.903 -5.839 3.036 1.00 0.00 C ATOM 925 C GLU A 54 -8.108 -4.346 2.780 1.00 0.00 C ATOM 926 O GLU A 54 -8.942 -3.949 1.990 1.00 0.00 O ATOM 927 CB GLU A 54 -8.147 -6.189 4.505 1.00 0.00 C ATOM 928 CG GLU A 54 -9.624 -5.971 4.841 1.00 0.00 C ATOM 929 CD GLU A 54 -10.387 -7.285 4.666 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.067 -8.015 3.743 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.279 -7.540 5.459 1.00 0.00 O ATOM 0 H GLU A 54 -5.960 -6.550 3.566 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.595 -6.384 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.869 -7.226 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.521 -5.569 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.726 -5.613 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.046 -5.204 4.192 1.00 0.00 H new ATOM 938 N ARG A 55 -7.331 -3.518 3.420 1.00 0.00 N ATOM 939 CA ARG A 55 -7.454 -2.055 3.190 1.00 0.00 C ATOM 940 C ARG A 55 -6.880 -1.718 1.818 1.00 0.00 C ATOM 941 O ARG A 55 -7.397 -0.892 1.101 1.00 0.00 O ATOM 942 CB ARG A 55 -6.622 -1.394 4.288 1.00 0.00 C ATOM 943 CG ARG A 55 -7.377 -1.452 5.618 1.00 0.00 C ATOM 944 CD ARG A 55 -8.682 -0.654 5.520 1.00 0.00 C ATOM 945 NE ARG A 55 -8.290 0.679 4.974 1.00 0.00 N ATOM 946 CZ ARG A 55 -7.779 1.605 5.752 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.569 1.378 7.024 1.00 0.00 N ATOM 948 NH2 ARG A 55 -7.465 2.767 5.247 1.00 0.00 N ATOM 0 H ARG A 55 -6.616 -3.793 4.093 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.489 -1.714 3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.661 -1.900 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.412 -0.358 4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.594 -2.488 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.754 -1.048 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.399 -1.151 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.156 -0.555 6.496 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.421 0.873 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.803 0.470 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.171 2.109 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.617 2.950 4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.068 3.492 5.844 1.00 0.00 H new ATOM 962 N ALA A 56 -5.826 -2.377 1.428 1.00 0.00 N ATOM 963 CA ALA A 56 -5.256 -2.110 0.091 1.00 0.00 C ATOM 964 C ALA A 56 -6.290 -2.555 -0.952 1.00 0.00 C ATOM 965 O ALA A 56 -6.287 -2.105 -2.085 1.00 0.00 O ATOM 966 CB ALA A 56 -3.958 -2.928 0.042 1.00 0.00 C ATOM 0 H ALA A 56 -5.340 -3.085 1.978 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.033 -1.062 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.473 -2.783 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.290 -2.598 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.189 -3.985 0.177 1.00 0.00 H new ATOM 972 N ARG A 57 -7.208 -3.416 -0.560 1.00 0.00 N ATOM 973 CA ARG A 57 -8.264 -3.865 -1.500 1.00 0.00 C ATOM 974 C ARG A 57 -9.457 -2.902 -1.429 1.00 0.00 C ATOM 975 O ARG A 57 -10.211 -2.756 -2.371 1.00 0.00 O ATOM 976 CB ARG A 57 -8.671 -5.262 -1.026 1.00 0.00 C ATOM 977 CG ARG A 57 -9.838 -5.774 -1.873 1.00 0.00 C ATOM 978 CD ARG A 57 -9.628 -7.257 -2.192 1.00 0.00 C ATOM 979 NE ARG A 57 -10.538 -7.537 -3.340 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.790 -8.770 -3.715 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.244 -9.787 -3.098 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.596 -8.984 -4.718 1.00 0.00 N ATOM 0 H ARG A 57 -7.261 -3.821 0.375 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.918 -3.883 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.825 -5.944 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.958 -5.231 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.777 -5.636 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.910 -5.199 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.590 -7.462 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.871 -7.884 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.970 -6.760 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.612 -9.628 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.450 -10.739 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.025 -8.197 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.797 -9.939 -5.016 1.00 0.00 H new ATOM 996 N TYR A 58 -9.606 -2.219 -0.321 1.00 0.00 N ATOM 997 CA TYR A 58 -10.712 -1.232 -0.173 1.00 0.00 C ATOM 998 C TYR A 58 -10.521 -0.191 -1.254 1.00 0.00 C ATOM 999 O TYR A 58 -11.426 0.219 -1.961 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.469 -0.620 1.221 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.931 0.830 1.300 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.159 1.205 0.746 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.124 1.794 1.928 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.586 2.537 0.819 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.552 3.124 2.001 1.00 0.00 C ATOM 1006 CZ TYR A 58 -11.782 3.496 1.446 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.204 4.808 1.517 1.00 0.00 O ATOM 0 H TYR A 58 -9.000 -2.307 0.495 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.717 -1.646 -0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.996 -1.209 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.407 -0.675 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.779 0.466 0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.174 1.508 2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.535 2.824 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.933 3.864 2.486 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.485 5.400 1.211 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.315 0.230 -1.345 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.936 1.254 -2.326 1.00 0.00 C ATOM 1019 C TRP A 59 -9.144 0.727 -3.729 1.00 0.00 C ATOM 1020 O TRP A 59 -9.888 1.286 -4.505 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.485 1.537 -1.990 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.526 2.347 -0.748 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.090 1.973 0.477 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.115 3.653 -0.593 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.340 3.004 1.367 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.979 4.063 0.749 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.736 4.515 -1.500 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.453 5.300 1.180 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.218 5.760 -1.075 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.076 6.153 0.262 1.00 0.00 C ATOM 0 H TRP A 59 -8.547 -0.103 -0.761 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.532 2.166 -2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.928 0.612 -1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.992 2.078 -2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.625 1.029 0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.085 2.985 2.354 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.845 4.220 -2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.341 5.598 2.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.701 6.419 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.447 7.115 0.584 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.543 -0.378 -4.048 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.776 -0.966 -5.397 1.00 0.00 C ATOM 1043 C LEU A 60 -10.291 -1.102 -5.616 1.00 0.00 C ATOM 1044 O LEU A 60 -10.769 -1.156 -6.732 1.00 0.00 O ATOM 1045 CB LEU A 60 -8.109 -2.344 -5.362 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.665 -2.231 -5.851 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.820 -3.336 -5.212 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.632 -2.383 -7.374 1.00 0.00 C ATOM 0 H LEU A 60 -7.907 -0.898 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.371 -0.356 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.129 -2.743 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.662 -3.042 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.262 -1.258 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.791 -3.255 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.845 -3.232 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.222 -4.310 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.603 -2.303 -7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.035 -3.357 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.234 -1.598 -7.831 1.00 0.00 H new ATOM 1060 N SER A 61 -11.048 -1.145 -4.540 1.00 0.00 N ATOM 1061 CA SER A 61 -12.524 -1.263 -4.666 1.00 0.00 C ATOM 1062 C SER A 61 -13.153 0.103 -4.973 1.00 0.00 C ATOM 1063 O SER A 61 -14.257 0.181 -5.475 1.00 0.00 O ATOM 1064 CB SER A 61 -12.998 -1.774 -3.305 1.00 0.00 C ATOM 1065 OG SER A 61 -13.434 -3.121 -3.434 1.00 0.00 O ATOM 0 H SER A 61 -10.698 -1.103 -3.583 1.00 0.00 H new ATOM 0 HA SER A 61 -12.811 -1.930 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.189 -1.710 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.811 -1.151 -2.933 1.00 0.00 H new ATOM 0 HG SER A 61 -13.737 -3.452 -2.563 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.470 1.183 -4.678 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.052 2.521 -4.958 1.00 0.00 C ATOM 1073 C VAL A 62 -12.487 3.072 -6.267 1.00 0.00 C ATOM 1074 O VAL A 62 -12.307 4.262 -6.433 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.659 3.418 -3.769 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.955 2.709 -2.445 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.166 3.771 -3.822 1.00 0.00 C ATOM 0 H VAL A 62 -11.541 1.190 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.135 2.476 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.247 4.333 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.672 3.356 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.020 2.484 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.385 1.782 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.912 4.405 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.574 2.856 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.950 4.303 -4.749 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.205 2.206 -7.190 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.646 2.660 -8.494 1.00 0.00 C ATOM 1089 C GLY A 63 -10.220 3.170 -8.283 1.00 0.00 C ATOM 1090 O GLY A 63 -9.745 4.030 -8.998 1.00 0.00 O ATOM 0 H GLY A 63 -12.336 1.198 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.648 1.838 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.268 3.450 -8.914 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.534 2.647 -7.304 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.143 3.099 -7.042 1.00 0.00 C ATOM 1096 C ALA A 64 -7.185 2.481 -8.061 1.00 0.00 C ATOM 1097 O ALA A 64 -7.292 1.322 -8.407 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.831 2.605 -5.631 1.00 0.00 C ATOM 0 H ALA A 64 -9.880 1.924 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.033 4.180 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.817 2.899 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.538 3.045 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.915 1.519 -5.599 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.253 3.251 -8.548 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.292 2.715 -9.551 1.00 0.00 C ATOM 1106 C GLN A 65 -3.861 2.743 -8.990 1.00 0.00 C ATOM 1107 O GLN A 65 -3.343 3.799 -8.681 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.417 3.660 -10.748 1.00 0.00 C ATOM 1109 CG GLN A 65 -6.382 3.061 -11.775 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.594 2.525 -12.972 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -4.380 2.525 -12.965 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -6.239 2.066 -14.010 1.00 0.00 N ATOM 0 H GLN A 65 -6.115 4.229 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.504 1.680 -9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.778 4.634 -10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.439 3.819 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.961 2.258 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.093 3.818 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.259 2.065 -14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.723 1.708 -14.814 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.261 1.582 -8.871 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.879 1.501 -8.344 1.00 0.00 C ATOM 1123 C PRO A 66 -0.876 1.859 -9.452 1.00 0.00 C ATOM 1124 O PRO A 66 -1.046 1.483 -10.594 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.737 0.039 -7.938 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.714 -0.707 -8.793 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.800 0.258 -9.203 1.00 0.00 C ATOM 0 HA PRO A 66 -1.688 2.186 -7.518 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.720 -0.317 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.957 -0.098 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.217 -1.118 -9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.138 -1.548 -8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.023 0.176 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.728 0.062 -8.667 1.00 0.00 H new ATOM 1135 N THR A 67 0.164 2.582 -9.130 1.00 0.00 N ATOM 1136 CA THR A 67 1.163 2.957 -10.178 1.00 0.00 C ATOM 1137 C THR A 67 1.828 1.703 -10.758 1.00 0.00 C ATOM 1138 O THR A 67 1.582 0.597 -10.316 1.00 0.00 O ATOM 1139 CB THR A 67 2.195 3.822 -9.454 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.213 4.206 -10.369 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.816 3.026 -8.305 1.00 0.00 C ATOM 0 H THR A 67 0.366 2.928 -8.192 1.00 0.00 H new ATOM 0 HA THR A 67 0.701 3.484 -11.013 1.00 0.00 H new ATOM 0 HB THR A 67 1.708 4.712 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.875 4.762 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.551 3.644 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.036 2.730 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.304 2.136 -8.701 1.00 0.00 H new ATOM 1149 N ASP A 68 2.676 1.866 -11.745 1.00 0.00 N ATOM 1150 CA ASP A 68 3.359 0.681 -12.355 1.00 0.00 C ATOM 1151 C ASP A 68 4.567 0.252 -11.513 1.00 0.00 C ATOM 1152 O ASP A 68 5.654 0.056 -12.019 1.00 0.00 O ATOM 1153 CB ASP A 68 3.808 1.145 -13.744 1.00 0.00 C ATOM 1154 CG ASP A 68 4.695 2.389 -13.620 1.00 0.00 C ATOM 1155 OD1 ASP A 68 5.511 2.426 -12.713 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.543 3.282 -14.436 1.00 0.00 O ATOM 0 H ASP A 68 2.925 2.767 -12.154 1.00 0.00 H new ATOM 0 HA ASP A 68 2.696 -0.183 -12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.356 0.346 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.938 1.369 -14.361 1.00 0.00 H new ATOM 1161 N THR A 69 4.375 0.099 -10.235 1.00 0.00 N ATOM 1162 CA THR A 69 5.483 -0.324 -9.332 1.00 0.00 C ATOM 1163 C THR A 69 4.868 -0.788 -8.020 1.00 0.00 C ATOM 1164 O THR A 69 5.005 -1.927 -7.612 1.00 0.00 O ATOM 1165 CB THR A 69 6.327 0.918 -9.088 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.313 1.755 -10.237 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.765 0.511 -8.764 1.00 0.00 C ATOM 0 H THR A 69 3.481 0.252 -9.768 1.00 0.00 H new ATOM 0 HA THR A 69 6.084 -1.130 -9.754 1.00 0.00 H new ATOM 0 HB THR A 69 5.908 1.468 -8.245 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.858 2.552 -10.068 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.365 1.404 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.774 -0.112 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.182 -0.049 -9.601 1.00 0.00 H new ATOM 1175 N ALA A 70 4.150 0.087 -7.375 1.00 0.00 N ATOM 1176 CA ALA A 70 3.485 -0.296 -6.117 1.00 0.00 C ATOM 1177 C ALA A 70 2.416 -1.328 -6.455 1.00 0.00 C ATOM 1178 O ALA A 70 2.036 -2.141 -5.637 1.00 0.00 O ATOM 1179 CB ALA A 70 2.857 0.986 -5.580 1.00 0.00 C ATOM 0 H ALA A 70 3.999 1.051 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 70 4.161 -0.728 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.344 0.774 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.636 1.728 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.142 1.373 -6.306 1.00 0.00 H new ATOM 1185 N ARG A 71 1.951 -1.320 -7.684 1.00 0.00 N ATOM 1186 CA ARG A 71 0.946 -2.317 -8.093 1.00 0.00 C ATOM 1187 C ARG A 71 1.606 -3.676 -7.993 1.00 0.00 C ATOM 1188 O ARG A 71 1.027 -4.640 -7.532 1.00 0.00 O ATOM 1189 CB ARG A 71 0.611 -1.987 -9.550 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.459 -2.956 -10.061 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.751 -2.662 -11.534 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.191 -3.968 -12.107 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.392 -4.439 -11.863 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -3.232 -3.780 -11.105 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.753 -5.582 -12.380 1.00 0.00 N ATOM 0 H ARG A 71 2.232 -0.661 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 71 0.043 -2.312 -7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.254 -0.960 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.507 -2.061 -10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.118 -3.985 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.370 -2.853 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.526 -1.903 -11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.135 -2.285 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.551 -4.501 -12.695 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.957 -2.888 -10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.162 -4.159 -10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.104 -6.103 -12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.684 -5.954 -12.195 1.00 0.00 H new ATOM 1209 N ARG A 72 2.845 -3.741 -8.399 1.00 0.00 N ATOM 1210 CA ARG A 72 3.580 -5.018 -8.312 1.00 0.00 C ATOM 1211 C ARG A 72 3.612 -5.461 -6.855 1.00 0.00 C ATOM 1212 O ARG A 72 3.531 -6.630 -6.538 1.00 0.00 O ATOM 1213 CB ARG A 72 4.989 -4.701 -8.811 1.00 0.00 C ATOM 1214 CG ARG A 72 5.390 -5.714 -9.878 1.00 0.00 C ATOM 1215 CD ARG A 72 6.879 -5.557 -10.202 1.00 0.00 C ATOM 1216 NE ARG A 72 7.365 -6.943 -10.462 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.612 -7.166 -10.809 1.00 0.00 C ATOM 1218 NH1 ARG A 72 9.467 -6.180 -10.922 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.007 -8.388 -11.041 1.00 0.00 N ATOM 0 H ARG A 72 3.374 -2.960 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 72 3.125 -5.818 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.023 -3.692 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.696 -4.731 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.189 -6.726 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.794 -5.564 -10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.028 -4.917 -11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.417 -5.099 -9.372 1.00 0.00 H new ATOM 0 HE ARG A 72 6.720 -7.728 -10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.168 -5.222 -10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.432 -6.370 -11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.349 -9.162 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.974 -8.569 -11.311 1.00 0.00 H new ATOM 1233 N LEU A 73 3.718 -4.514 -5.965 1.00 0.00 N ATOM 1234 CA LEU A 73 3.745 -4.841 -4.525 1.00 0.00 C ATOM 1235 C LEU A 73 2.352 -5.267 -4.082 1.00 0.00 C ATOM 1236 O LEU A 73 2.194 -6.190 -3.312 1.00 0.00 O ATOM 1237 CB LEU A 73 4.181 -3.553 -3.828 1.00 0.00 C ATOM 1238 CG LEU A 73 5.513 -3.090 -4.417 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.837 -1.681 -3.919 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.623 -4.047 -3.990 1.00 0.00 C ATOM 0 H LEU A 73 3.787 -3.520 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 73 4.422 -5.661 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.424 -2.780 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.283 -3.722 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 73 5.439 -3.081 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.787 -1.355 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.048 -0.995 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.907 -1.687 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.572 -3.715 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.694 -4.060 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.397 -5.050 -4.351 1.00 0.00 H new ATOM 1252 N LEU A 74 1.333 -4.625 -4.591 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.043 -5.035 -4.218 1.00 0.00 C ATOM 1254 C LEU A 74 -0.238 -6.482 -4.665 1.00 0.00 C ATOM 1255 O LEU A 74 -0.981 -7.238 -4.073 1.00 0.00 O ATOM 1256 CB LEU A 74 -0.973 -4.093 -4.982 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.091 -2.770 -4.224 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.823 -1.746 -5.094 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.877 -2.993 -2.930 1.00 0.00 C ATOM 0 H LEU A 74 1.397 -3.843 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.239 -4.979 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.586 -3.917 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.957 -4.549 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.095 -2.398 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.907 -0.803 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.265 -1.587 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.820 -2.117 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.962 -2.051 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.873 -3.365 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.357 -3.722 -2.309 1.00 0.00 H new ATOM 1271 N ARG A 75 0.465 -6.873 -5.694 1.00 0.00 N ATOM 1272 CA ARG A 75 0.373 -8.269 -6.179 1.00 0.00 C ATOM 1273 C ARG A 75 1.197 -9.149 -5.249 1.00 0.00 C ATOM 1274 O ARG A 75 0.900 -10.306 -5.030 1.00 0.00 O ATOM 1275 CB ARG A 75 0.992 -8.242 -7.579 1.00 0.00 C ATOM 1276 CG ARG A 75 0.175 -9.125 -8.521 1.00 0.00 C ATOM 1277 CD ARG A 75 1.028 -10.308 -8.987 1.00 0.00 C ATOM 1278 NE ARG A 75 0.079 -11.210 -9.703 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.436 -12.429 -10.039 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.639 -12.874 -9.778 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.420 -13.207 -10.646 1.00 0.00 N ATOM 0 H ARG A 75 1.103 -6.275 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.646 -8.656 -6.203 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.019 -7.219 -7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.023 -8.594 -7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.719 -9.486 -8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.160 -8.544 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.833 -9.979 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.494 -10.816 -8.142 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.857 -10.877 -9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.315 -12.272 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.901 -13.823 -10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.358 -12.867 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.150 -14.155 -10.910 1.00 0.00 H new ATOM 1295 N GLN A 76 2.239 -8.588 -4.696 1.00 0.00 N ATOM 1296 CA GLN A 76 3.103 -9.349 -3.776 1.00 0.00 C ATOM 1297 C GLN A 76 2.421 -9.495 -2.432 1.00 0.00 C ATOM 1298 O GLN A 76 2.525 -10.503 -1.763 1.00 0.00 O ATOM 1299 CB GLN A 76 4.358 -8.498 -3.677 1.00 0.00 C ATOM 1300 CG GLN A 76 5.508 -9.335 -3.124 1.00 0.00 C ATOM 1301 CD GLN A 76 5.931 -10.359 -4.177 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.084 -11.527 -3.881 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.129 -9.965 -5.406 1.00 0.00 N ATOM 0 H GLN A 76 2.524 -7.621 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 76 3.321 -10.362 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.621 -8.106 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.177 -7.640 -3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.350 -8.693 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.199 -9.841 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.000 -8.984 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.412 -10.638 -6.118 1.00 0.00 H new ATOM 1312 N ALA A 77 1.706 -8.495 -2.052 1.00 0.00 N ATOM 1313 CA ALA A 77 0.978 -8.546 -0.763 1.00 0.00 C ATOM 1314 C ALA A 77 -0.171 -9.562 -0.835 1.00 0.00 C ATOM 1315 O ALA A 77 -0.823 -9.841 0.152 1.00 0.00 O ATOM 1316 CB ALA A 77 0.425 -7.138 -0.572 1.00 0.00 C ATOM 0 H ALA A 77 1.589 -7.631 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 77 1.622 -8.854 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.131 -7.089 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.249 -6.425 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.239 -6.892 -1.401 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.434 -10.106 -1.995 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.550 -11.085 -2.125 1.00 0.00 C ATOM 1324 C GLY A 78 -2.870 -10.317 -2.174 1.00 0.00 C ATOM 1325 O GLY A 78 -3.815 -10.638 -1.480 1.00 0.00 O ATOM 0 H GLY A 78 0.077 -9.914 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.426 -11.682 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.546 -11.777 -1.283 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.935 -9.289 -2.978 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.180 -8.486 -3.058 1.00 0.00 C ATOM 1331 C VAL A 79 -5.054 -8.918 -4.240 1.00 0.00 C ATOM 1332 O VAL A 79 -6.227 -9.193 -4.082 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.712 -7.049 -3.237 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.924 -6.121 -3.319 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.836 -6.643 -2.048 1.00 0.00 C ATOM 0 H VAL A 79 -2.176 -8.974 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.795 -8.615 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.133 -6.970 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.587 -5.092 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.545 -6.408 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.506 -6.200 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.501 -5.614 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.413 -6.724 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.969 -7.302 -1.993 1.00 0.00 H new