USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 69 THR OG1 : rot -45:sc= 0.215! USER MOD Single : A 76 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.420 8.404 -6.592 1.00 0.00 N ATOM 21 CA VAL A 2 -7.828 7.368 -5.697 1.00 0.00 C ATOM 22 C VAL A 2 -6.671 6.655 -6.401 1.00 0.00 C ATOM 23 O VAL A 2 -6.860 5.957 -7.376 1.00 0.00 O ATOM 24 CB VAL A 2 -8.964 6.381 -5.408 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.011 7.056 -4.521 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.617 5.940 -6.722 1.00 0.00 C ATOM 0 HA VAL A 2 -7.427 7.804 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.559 5.507 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.820 6.355 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.549 7.364 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.411 7.931 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.424 5.238 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.020 6.811 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.872 5.456 -7.354 1.00 0.00 H new ATOM 36 N LYS A 3 -5.473 6.825 -5.915 1.00 0.00 N ATOM 37 CA LYS A 3 -4.306 6.156 -6.556 1.00 0.00 C ATOM 38 C LYS A 3 -3.335 5.649 -5.488 1.00 0.00 C ATOM 39 O LYS A 3 -2.990 6.361 -4.565 1.00 0.00 O ATOM 40 CB LYS A 3 -3.648 7.238 -7.410 1.00 0.00 C ATOM 41 CG LYS A 3 -4.037 7.039 -8.875 1.00 0.00 C ATOM 42 CD LYS A 3 -3.096 7.851 -9.766 1.00 0.00 C ATOM 43 CE LYS A 3 -2.070 6.917 -10.412 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.755 7.541 -11.727 1.00 0.00 N ATOM 0 H LYS A 3 -5.251 7.399 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.601 5.292 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.962 8.225 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.564 7.193 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.982 5.982 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.068 7.354 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.666 8.371 -10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.588 8.614 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.176 6.825 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.475 5.913 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.057 6.957 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.623 7.609 -12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.365 8.493 -11.575 1.00 0.00 H new ATOM 58 N ILE A 4 -2.881 4.430 -5.603 1.00 0.00 N ATOM 59 CA ILE A 4 -1.929 3.904 -4.592 1.00 0.00 C ATOM 60 C ILE A 4 -0.532 3.785 -5.205 1.00 0.00 C ATOM 61 O ILE A 4 -0.356 3.254 -6.284 1.00 0.00 O ATOM 62 CB ILE A 4 -2.482 2.547 -4.170 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.771 2.759 -3.377 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.462 1.818 -3.292 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.520 1.435 -3.271 1.00 0.00 C ATOM 0 H ILE A 4 -3.128 3.781 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.832 4.562 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.684 1.946 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.541 3.141 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.395 3.505 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.864 0.850 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.539 1.671 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.256 2.414 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.440 1.582 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.762 1.073 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.894 0.703 -2.761 1.00 0.00 H new ATOM 77 N ARG A 5 0.464 4.288 -4.526 1.00 0.00 N ATOM 78 CA ARG A 5 1.847 4.219 -5.063 1.00 0.00 C ATOM 79 C ARG A 5 2.859 4.178 -3.918 1.00 0.00 C ATOM 80 O ARG A 5 2.500 4.027 -2.769 1.00 0.00 O ATOM 81 CB ARG A 5 2.018 5.496 -5.885 1.00 0.00 C ATOM 82 CG ARG A 5 1.753 6.714 -4.997 1.00 0.00 C ATOM 83 CD ARG A 5 1.697 7.974 -5.863 1.00 0.00 C ATOM 84 NE ARG A 5 2.978 8.688 -5.588 1.00 0.00 N ATOM 85 CZ ARG A 5 3.263 9.815 -6.196 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.430 10.345 -7.058 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.392 10.417 -5.939 1.00 0.00 N ATOM 0 H ARG A 5 0.375 4.745 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 5 2.012 3.324 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.027 5.545 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.330 5.492 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.814 6.588 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.539 6.809 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.604 7.723 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.837 8.592 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 5 3.640 8.295 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.546 9.881 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.666 11.222 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.046 10.011 -5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.621 11.294 -6.408 1.00 0.00 H new ATOM 101 N LEU A 6 4.122 4.325 -4.220 1.00 0.00 N ATOM 102 CA LEU A 6 5.148 4.297 -3.139 1.00 0.00 C ATOM 103 C LEU A 6 5.374 5.698 -2.580 1.00 0.00 C ATOM 104 O LEU A 6 5.634 6.638 -3.304 1.00 0.00 O ATOM 105 CB LEU A 6 6.433 3.797 -3.801 1.00 0.00 C ATOM 106 CG LEU A 6 6.217 2.398 -4.359 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.513 1.891 -4.994 1.00 0.00 C ATOM 108 CD2 LEU A 6 5.795 1.450 -3.235 1.00 0.00 C ATOM 0 H LEU A 6 4.485 4.462 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 6 4.835 3.659 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.728 4.476 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.246 3.787 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 6 5.432 2.433 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.355 0.889 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.809 2.560 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.300 1.862 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.642 0.450 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.575 1.417 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.867 1.806 -2.788 1.00 0.00 H new ATOM 120 N ALA A 7 5.283 5.835 -1.293 1.00 0.00 N ATOM 121 CA ALA A 7 5.497 7.166 -0.662 1.00 0.00 C ATOM 122 C ALA A 7 6.921 7.251 -0.106 1.00 0.00 C ATOM 123 O ALA A 7 7.224 6.692 0.921 1.00 0.00 O ATOM 124 CB ALA A 7 4.478 7.202 0.467 1.00 0.00 C ATOM 0 H ALA A 7 5.068 5.079 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 7 5.378 7.997 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.556 8.151 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.474 7.098 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.672 6.382 1.159 1.00 0.00 H new ATOM 130 N ARG A 8 7.801 7.923 -0.792 1.00 0.00 N ATOM 131 CA ARG A 8 9.214 8.013 -0.323 1.00 0.00 C ATOM 132 C ARG A 8 9.366 8.897 0.926 1.00 0.00 C ATOM 133 O ARG A 8 9.050 10.070 0.912 1.00 0.00 O ATOM 134 CB ARG A 8 9.967 8.634 -1.498 1.00 0.00 C ATOM 135 CG ARG A 8 11.470 8.410 -1.321 1.00 0.00 C ATOM 136 CD ARG A 8 12.154 9.747 -1.032 1.00 0.00 C ATOM 137 NE ARG A 8 12.625 10.233 -2.361 1.00 0.00 N ATOM 138 CZ ARG A 8 13.641 9.663 -2.966 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.276 8.657 -2.416 1.00 0.00 N ATOM 140 NH2 ARG A 8 14.028 10.107 -4.131 1.00 0.00 N ATOM 0 H ARG A 8 7.603 8.417 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 8 9.592 7.033 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.631 8.189 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.753 9.701 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.651 7.713 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.890 7.961 -2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.462 10.454 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.986 9.623 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 8 12.151 11.019 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.983 8.306 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.064 8.225 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.542 10.892 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.817 9.669 -4.607 1.00 0.00 H new ATOM 276 N TYR A 17 9.417 3.107 1.111 1.00 0.00 N ATOM 277 CA TYR A 17 8.214 3.832 0.660 1.00 0.00 C ATOM 278 C TYR A 17 6.994 3.087 1.153 1.00 0.00 C ATOM 279 O TYR A 17 7.000 1.875 1.204 1.00 0.00 O ATOM 280 CB TYR A 17 8.189 3.746 -0.856 1.00 0.00 C ATOM 281 CG TYR A 17 9.448 4.258 -1.490 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.636 3.537 -1.375 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.410 5.437 -2.239 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.793 3.999 -2.003 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.562 5.899 -2.873 1.00 0.00 C ATOM 286 CZ TYR A 17 11.760 5.180 -2.755 1.00 0.00 C ATOM 287 OH TYR A 17 12.905 5.634 -3.382 1.00 0.00 O ATOM 0 HA TYR A 17 8.222 4.860 1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.034 2.709 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.340 4.316 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.660 2.623 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.487 5.991 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.715 3.445 -1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.532 6.809 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 17 12.707 6.465 -3.862 1.00 0.00 H new ATOM 297 N ARG A 18 5.931 3.762 1.449 1.00 0.00 N ATOM 298 CA ARG A 18 4.720 3.017 1.850 1.00 0.00 C ATOM 299 C ARG A 18 3.814 2.948 0.634 1.00 0.00 C ATOM 300 O ARG A 18 3.920 3.754 -0.271 1.00 0.00 O ATOM 301 CB ARG A 18 4.068 3.805 2.983 1.00 0.00 C ATOM 302 CG ARG A 18 4.169 3.015 4.290 1.00 0.00 C ATOM 303 CD ARG A 18 3.986 3.968 5.475 1.00 0.00 C ATOM 304 NE ARG A 18 5.323 4.027 6.135 1.00 0.00 N ATOM 305 CZ ARG A 18 5.546 4.854 7.131 1.00 0.00 C ATOM 306 NH1 ARG A 18 4.605 5.654 7.565 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.723 4.879 7.695 1.00 0.00 N ATOM 0 H ARG A 18 5.847 4.778 1.432 1.00 0.00 H new ATOM 0 HA ARG A 18 4.932 2.004 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.557 4.773 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.022 4.002 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.409 2.234 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.137 2.519 4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.667 4.955 5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.223 3.602 6.162 1.00 0.00 H new ATOM 0 HE ARG A 18 6.073 3.418 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.683 5.641 7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.794 6.290 8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.461 4.259 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.904 5.518 8.469 1.00 0.00 H new ATOM 321 N ILE A 19 2.915 2.026 0.604 1.00 0.00 N ATOM 322 CA ILE A 19 1.995 1.941 -0.547 1.00 0.00 C ATOM 323 C ILE A 19 0.747 2.644 -0.061 1.00 0.00 C ATOM 324 O ILE A 19 -0.173 2.052 0.469 1.00 0.00 O ATOM 325 CB ILE A 19 1.764 0.449 -0.842 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.916 -0.421 -0.327 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.711 0.239 -2.347 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.229 0.108 -0.901 1.00 0.00 C ATOM 0 H ILE A 19 2.774 1.322 1.329 1.00 0.00 H new ATOM 0 HA ILE A 19 2.353 2.396 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 19 0.835 0.166 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.946 -0.401 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.766 -1.459 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.547 -0.817 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.894 0.825 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.653 0.558 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.056 -0.504 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.193 0.066 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.376 1.140 -0.583 1.00 0.00 H new ATOM 340 N VAL A 20 0.791 3.938 -0.143 1.00 0.00 N ATOM 341 CA VAL A 20 -0.290 4.776 0.408 1.00 0.00 C ATOM 342 C VAL A 20 -1.283 5.220 -0.675 1.00 0.00 C ATOM 343 O VAL A 20 -1.019 5.136 -1.856 1.00 0.00 O ATOM 344 CB VAL A 20 0.505 5.941 1.047 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.422 7.222 0.218 1.00 0.00 C ATOM 346 CG2 VAL A 20 -0.016 6.205 2.455 1.00 0.00 C ATOM 0 H VAL A 20 1.551 4.459 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.935 4.267 1.125 1.00 0.00 H new ATOM 0 HB VAL A 20 1.553 5.643 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.995 8.010 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.831 7.039 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.619 7.532 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.545 7.025 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.072 6.471 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.106 5.308 3.062 1.00 0.00 H new ATOM 356 N VAL A 21 -2.442 5.655 -0.259 1.00 0.00 N ATOM 357 CA VAL A 21 -3.496 6.070 -1.223 1.00 0.00 C ATOM 358 C VAL A 21 -3.684 7.590 -1.192 1.00 0.00 C ATOM 359 O VAL A 21 -4.207 8.138 -0.241 1.00 0.00 O ATOM 360 CB VAL A 21 -4.790 5.377 -0.747 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.546 4.841 -1.953 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.495 4.201 0.185 1.00 0.00 C ATOM 0 H VAL A 21 -2.705 5.741 0.723 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.232 5.794 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.379 6.117 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.461 4.351 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.798 5.665 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.922 4.122 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.432 3.740 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.886 3.465 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.956 4.558 1.062 1.00 0.00 H new ATOM 372 N THR A 22 -3.278 8.274 -2.224 1.00 0.00 N ATOM 373 CA THR A 22 -3.451 9.756 -2.247 1.00 0.00 C ATOM 374 C THR A 22 -3.975 10.208 -3.612 1.00 0.00 C ATOM 375 O THR A 22 -4.383 9.407 -4.430 1.00 0.00 O ATOM 376 CB THR A 22 -2.059 10.342 -1.985 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.094 11.746 -2.194 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.039 9.709 -2.931 1.00 0.00 C ATOM 0 H THR A 22 -2.835 7.874 -3.051 1.00 0.00 H new ATOM 0 HA THR A 22 -4.172 10.090 -1.501 1.00 0.00 H new ATOM 0 HB THR A 22 -1.768 10.131 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.206 12.124 -2.026 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.053 10.131 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.011 8.632 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.325 9.912 -3.963 1.00 0.00 H new ATOM 543 N TYR A 32 -1.940 11.584 1.905 1.00 0.00 N ATOM 544 CA TYR A 32 -2.803 10.499 1.345 1.00 0.00 C ATOM 545 C TYR A 32 -4.057 10.321 2.200 1.00 0.00 C ATOM 546 O TYR A 32 -4.158 10.837 3.296 1.00 0.00 O ATOM 547 CB TYR A 32 -1.953 9.221 1.392 1.00 0.00 C ATOM 548 CG TYR A 32 -1.323 9.068 2.758 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.045 8.478 3.801 1.00 0.00 C ATOM 550 CD2 TYR A 32 -0.016 9.520 2.979 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.461 8.338 5.064 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.568 9.380 4.242 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.154 8.789 5.286 1.00 0.00 C ATOM 554 OH TYR A 32 0.422 8.651 6.533 1.00 0.00 O ATOM 0 HA TYR A 32 -3.129 10.733 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.574 8.353 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.177 9.262 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.053 8.131 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.541 9.977 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.018 7.882 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.576 9.728 4.412 1.00 0.00 H new ATOM 0 HH TYR A 32 1.332 9.014 6.515 1.00 0.00 H new ATOM 564 N ILE A 33 -5.013 9.583 1.707 1.00 0.00 N ATOM 565 CA ILE A 33 -6.261 9.355 2.488 1.00 0.00 C ATOM 566 C ILE A 33 -5.963 8.438 3.677 1.00 0.00 C ATOM 567 O ILE A 33 -6.280 8.745 4.809 1.00 0.00 O ATOM 568 CB ILE A 33 -7.213 8.673 1.508 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.469 9.599 0.317 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.536 8.367 2.208 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.549 8.768 -0.965 1.00 0.00 C ATOM 0 H ILE A 33 -4.983 9.127 0.795 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.683 10.276 2.890 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.765 7.743 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.397 10.151 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.670 10.336 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.214 7.880 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.355 7.706 3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.984 9.296 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.731 9.426 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.609 8.236 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.364 8.049 -0.882 1.00 0.00 H new ATOM 583 N GLU A 34 -5.346 7.317 3.423 1.00 0.00 N ATOM 584 CA GLU A 34 -5.011 6.373 4.526 1.00 0.00 C ATOM 585 C GLU A 34 -3.810 5.517 4.121 1.00 0.00 C ATOM 586 O GLU A 34 -3.440 5.464 2.966 1.00 0.00 O ATOM 587 CB GLU A 34 -6.258 5.504 4.700 1.00 0.00 C ATOM 588 CG GLU A 34 -6.899 5.793 6.060 1.00 0.00 C ATOM 589 CD GLU A 34 -8.388 5.445 6.008 1.00 0.00 C ATOM 590 OE1 GLU A 34 -9.025 5.799 5.029 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.867 4.833 6.947 1.00 0.00 O ATOM 0 H GLU A 34 -5.058 7.013 2.493 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.747 6.886 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.970 5.708 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.992 4.449 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.406 5.210 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.769 6.844 6.319 1.00 0.00 H new ATOM 598 N LYS A 35 -3.196 4.844 5.052 1.00 0.00 N ATOM 599 CA LYS A 35 -2.023 3.995 4.698 1.00 0.00 C ATOM 600 C LYS A 35 -2.456 2.530 4.574 1.00 0.00 C ATOM 601 O LYS A 35 -2.905 1.921 5.524 1.00 0.00 O ATOM 602 CB LYS A 35 -1.024 4.181 5.846 1.00 0.00 C ATOM 603 CG LYS A 35 -1.579 3.567 7.136 1.00 0.00 C ATOM 604 CD LYS A 35 -1.043 4.340 8.341 1.00 0.00 C ATOM 605 CE LYS A 35 -0.354 3.369 9.300 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.371 4.055 10.622 1.00 0.00 N ATOM 0 H LYS A 35 -3.453 4.844 6.039 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.582 4.275 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.074 3.711 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.825 5.242 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.669 3.598 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.290 2.518 7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.340 5.105 8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.859 4.854 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.881 2.416 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.666 3.155 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.085 3.449 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.144 4.956 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.355 4.240 10.905 1.00 0.00 H new ATOM 620 N ILE A 36 -2.336 1.963 3.405 1.00 0.00 N ATOM 621 CA ILE A 36 -2.755 0.539 3.227 1.00 0.00 C ATOM 622 C ILE A 36 -1.551 -0.372 3.085 1.00 0.00 C ATOM 623 O ILE A 36 -1.579 -1.517 3.495 1.00 0.00 O ATOM 624 CB ILE A 36 -3.576 0.525 1.943 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.732 1.075 0.780 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.813 1.397 2.136 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.478 0.889 -0.534 1.00 0.00 C ATOM 0 H ILE A 36 -1.969 2.418 2.569 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.319 0.178 4.087 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.877 -0.497 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.520 2.132 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.772 0.559 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.407 1.393 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.410 1.004 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.507 2.418 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.875 1.280 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.668 -0.172 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.426 1.425 -0.493 1.00 0.00 H new ATOM 639 N GLY A 37 -0.510 0.100 2.477 1.00 0.00 N ATOM 640 CA GLY A 37 0.663 -0.774 2.282 1.00 0.00 C ATOM 641 C GLY A 37 1.937 -0.162 2.846 1.00 0.00 C ATOM 642 O GLY A 37 2.016 1.013 3.144 1.00 0.00 O ATOM 0 H GLY A 37 -0.421 1.047 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.481 -1.736 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.796 -0.969 1.218 1.00 0.00 H new ATOM 646 N TYR A 38 2.955 -0.971 2.931 1.00 0.00 N ATOM 647 CA TYR A 38 4.288 -0.497 3.401 1.00 0.00 C ATOM 648 C TYR A 38 5.368 -1.178 2.554 1.00 0.00 C ATOM 649 O TYR A 38 5.363 -2.385 2.405 1.00 0.00 O ATOM 650 CB TYR A 38 4.398 -0.930 4.862 1.00 0.00 C ATOM 651 CG TYR A 38 5.767 -0.561 5.386 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.858 -1.409 5.157 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.948 0.632 6.101 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.126 -1.067 5.644 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.215 0.973 6.585 1.00 0.00 C ATOM 656 CZ TYR A 38 8.305 0.123 6.357 1.00 0.00 C ATOM 657 OH TYR A 38 9.554 0.460 6.837 1.00 0.00 O ATOM 0 H TYR A 38 2.919 -1.961 2.690 1.00 0.00 H new ATOM 0 HA TYR A 38 4.409 0.582 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.624 -0.445 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.240 -2.005 4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.721 -2.327 4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.108 1.288 6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.966 -1.723 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.353 1.892 7.135 1.00 0.00 H new ATOM 0 HH TYR A 38 9.503 1.318 7.308 1.00 0.00 H new ATOM 667 N TYR A 39 6.293 -0.440 1.998 1.00 0.00 N ATOM 668 CA TYR A 39 7.349 -1.104 1.172 1.00 0.00 C ATOM 669 C TYR A 39 8.740 -0.632 1.618 1.00 0.00 C ATOM 670 O TYR A 39 8.967 0.545 1.811 1.00 0.00 O ATOM 671 CB TYR A 39 7.076 -0.705 -0.282 1.00 0.00 C ATOM 672 CG TYR A 39 8.222 -1.133 -1.178 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.935 -2.310 -0.905 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.569 -0.352 -2.286 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.989 -2.702 -1.739 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.623 -0.746 -3.118 1.00 0.00 C ATOM 677 CZ TYR A 39 10.332 -1.921 -2.846 1.00 0.00 C ATOM 678 OH TYR A 39 11.370 -2.307 -3.668 1.00 0.00 O ATOM 0 H TYR A 39 6.365 0.574 2.076 1.00 0.00 H new ATOM 0 HA TYR A 39 7.325 -2.188 1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.149 -1.166 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.939 0.374 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.670 -2.915 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.023 0.555 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.537 -3.608 -1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.890 -0.141 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 39 11.476 -1.653 -4.391 1.00 0.00 H new ATOM 688 N ASP A 40 9.672 -1.532 1.787 1.00 0.00 N ATOM 689 CA ASP A 40 11.037 -1.108 2.225 1.00 0.00 C ATOM 690 C ASP A 40 12.121 -1.907 1.488 1.00 0.00 C ATOM 691 O ASP A 40 12.511 -2.969 1.930 1.00 0.00 O ATOM 692 CB ASP A 40 11.080 -1.407 3.724 1.00 0.00 C ATOM 693 CG ASP A 40 12.416 -0.935 4.302 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.049 -0.100 3.676 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.784 -1.417 5.361 1.00 0.00 O ATOM 0 H ASP A 40 9.551 -2.534 1.643 1.00 0.00 H new ATOM 0 HA ASP A 40 11.225 -0.057 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.255 -0.904 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.955 -2.476 3.896 1.00 0.00 H new ATOM 838 N LEU A 49 8.004 -6.570 1.967 1.00 0.00 N ATOM 839 CA LEU A 49 6.699 -5.909 1.674 1.00 0.00 C ATOM 840 C LEU A 49 5.654 -6.273 2.728 1.00 0.00 C ATOM 841 O LEU A 49 5.385 -7.430 2.986 1.00 0.00 O ATOM 842 CB LEU A 49 6.285 -6.443 0.305 1.00 0.00 C ATOM 843 CG LEU A 49 5.390 -5.417 -0.393 1.00 0.00 C ATOM 844 CD1 LEU A 49 6.230 -4.220 -0.837 1.00 0.00 C ATOM 845 CD2 LEU A 49 4.733 -6.066 -1.612 1.00 0.00 C ATOM 0 HA LEU A 49 6.784 -4.822 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.168 -6.643 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.754 -7.388 0.417 1.00 0.00 H new ATOM 0 HG LEU A 49 4.619 -5.076 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.590 -3.491 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.696 -3.760 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.003 -4.555 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.094 -5.338 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.504 -6.407 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.131 -6.917 -1.291 1.00 0.00 H new ATOM 857 N LYS A 50 5.052 -5.285 3.327 1.00 0.00 N ATOM 858 CA LYS A 50 4.009 -5.548 4.356 1.00 0.00 C ATOM 859 C LYS A 50 2.765 -4.719 4.035 1.00 0.00 C ATOM 860 O LYS A 50 2.670 -3.563 4.399 1.00 0.00 O ATOM 861 CB LYS A 50 4.633 -5.096 5.676 1.00 0.00 C ATOM 862 CG LYS A 50 3.784 -5.603 6.843 1.00 0.00 C ATOM 863 CD LYS A 50 4.658 -6.435 7.783 1.00 0.00 C ATOM 864 CE LYS A 50 3.824 -6.898 8.981 1.00 0.00 C ATOM 865 NZ LYS A 50 3.253 -8.210 8.566 1.00 0.00 N ATOM 0 H LYS A 50 5.239 -4.299 3.146 1.00 0.00 H new ATOM 0 HA LYS A 50 3.705 -6.594 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.650 -5.479 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.698 -4.008 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.348 -4.762 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.956 -6.206 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.062 -7.297 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.508 -5.844 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.439 -7.000 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.037 -6.181 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.667 -8.593 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.667 -8.081 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.025 -8.874 8.356 1.00 0.00 H new ATOM 879 N VAL A 51 1.817 -5.289 3.345 1.00 0.00 N ATOM 880 CA VAL A 51 0.596 -4.513 2.997 1.00 0.00 C ATOM 881 C VAL A 51 -0.637 -5.105 3.680 1.00 0.00 C ATOM 882 O VAL A 51 -0.748 -6.298 3.878 1.00 0.00 O ATOM 883 CB VAL A 51 0.486 -4.603 1.450 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.960 -4.874 0.989 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.928 -3.285 0.832 1.00 0.00 C ATOM 0 H VAL A 51 1.835 -6.252 3.009 1.00 0.00 H new ATOM 0 HA VAL A 51 0.657 -3.478 3.334 1.00 0.00 H new ATOM 0 HB VAL A 51 1.122 -5.428 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.991 -4.929 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.305 -5.818 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.608 -4.066 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.851 -3.348 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.289 -2.480 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.962 -3.081 1.111 1.00 0.00 H new ATOM 895 N ASP A 52 -1.586 -4.270 3.975 1.00 0.00 N ATOM 896 CA ASP A 52 -2.846 -4.758 4.571 1.00 0.00 C ATOM 897 C ASP A 52 -3.830 -4.960 3.423 1.00 0.00 C ATOM 898 O ASP A 52 -4.751 -4.188 3.252 1.00 0.00 O ATOM 899 CB ASP A 52 -3.310 -3.639 5.502 1.00 0.00 C ATOM 900 CG ASP A 52 -3.976 -4.245 6.738 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.262 -4.562 7.675 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.188 -4.382 6.727 1.00 0.00 O ATOM 0 H ASP A 52 -1.540 -3.262 3.826 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.750 -5.694 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.461 -3.023 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.011 -2.986 4.982 1.00 0.00 H new ATOM 907 N VAL A 53 -3.587 -5.968 2.604 1.00 0.00 N ATOM 908 CA VAL A 53 -4.454 -6.241 1.402 1.00 0.00 C ATOM 909 C VAL A 53 -5.921 -5.858 1.658 1.00 0.00 C ATOM 910 O VAL A 53 -6.601 -5.417 0.761 1.00 0.00 O ATOM 911 CB VAL A 53 -4.276 -7.756 1.040 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.816 -8.597 2.238 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.585 -8.356 0.500 1.00 0.00 C ATOM 0 H VAL A 53 -2.813 -6.622 2.721 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.148 -5.623 0.557 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.503 -7.789 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.709 -9.638 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.857 -8.224 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.555 -8.528 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.431 -9.407 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.365 -8.269 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.889 -7.818 -0.398 1.00 0.00 H new ATOM 923 N GLU A 54 -6.406 -5.989 2.861 1.00 0.00 N ATOM 924 CA GLU A 54 -7.817 -5.592 3.115 1.00 0.00 C ATOM 925 C GLU A 54 -7.986 -4.110 2.793 1.00 0.00 C ATOM 926 O GLU A 54 -8.803 -3.729 1.979 1.00 0.00 O ATOM 927 CB GLU A 54 -8.058 -5.864 4.601 1.00 0.00 C ATOM 928 CG GLU A 54 -8.902 -7.129 4.759 1.00 0.00 C ATOM 929 CD GLU A 54 -9.923 -6.923 5.880 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.497 -5.847 5.940 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.112 -7.842 6.659 1.00 0.00 O ATOM 0 H GLU A 54 -5.895 -6.348 3.668 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.528 -6.142 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.106 -5.982 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.566 -5.016 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.413 -7.357 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.261 -7.981 4.988 1.00 0.00 H new ATOM 938 N ARG A 55 -7.203 -3.276 3.408 1.00 0.00 N ATOM 939 CA ARG A 55 -7.298 -1.822 3.122 1.00 0.00 C ATOM 940 C ARG A 55 -6.774 -1.561 1.714 1.00 0.00 C ATOM 941 O ARG A 55 -7.351 -0.816 0.951 1.00 0.00 O ATOM 942 CB ARG A 55 -6.398 -1.148 4.158 1.00 0.00 C ATOM 943 CG ARG A 55 -7.205 -0.850 5.418 1.00 0.00 C ATOM 944 CD ARG A 55 -7.746 0.578 5.351 1.00 0.00 C ATOM 945 NE ARG A 55 -8.956 0.483 4.487 1.00 0.00 N ATOM 946 CZ ARG A 55 -10.073 -0.030 4.951 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.152 -0.474 6.180 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.117 -0.101 4.174 1.00 0.00 N ATOM 0 H ARG A 55 -6.499 -3.538 4.098 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.319 -1.446 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.555 -1.795 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.985 -0.225 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.028 -1.558 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.578 -0.972 6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.996 0.954 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.010 1.261 4.928 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.917 0.820 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.339 -0.425 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.027 -0.869 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.063 0.240 3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.988 -0.498 4.526 1.00 0.00 H new ATOM 962 N ALA A 56 -5.696 -2.196 1.351 1.00 0.00 N ATOM 963 CA ALA A 56 -5.157 -2.007 -0.010 1.00 0.00 C ATOM 964 C ALA A 56 -6.200 -2.519 -1.013 1.00 0.00 C ATOM 965 O ALA A 56 -6.188 -2.164 -2.178 1.00 0.00 O ATOM 966 CB ALA A 56 -3.853 -2.819 -0.029 1.00 0.00 C ATOM 0 H ALA A 56 -5.169 -2.837 1.944 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.952 -0.971 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.385 -2.733 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.174 -2.435 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.074 -3.866 0.177 1.00 0.00 H new ATOM 972 N ARG A 57 -7.135 -3.328 -0.557 1.00 0.00 N ATOM 973 CA ARG A 57 -8.191 -3.827 -1.473 1.00 0.00 C ATOM 974 C ARG A 57 -9.364 -2.836 -1.505 1.00 0.00 C ATOM 975 O ARG A 57 -10.091 -2.751 -2.473 1.00 0.00 O ATOM 976 CB ARG A 57 -8.637 -5.172 -0.892 1.00 0.00 C ATOM 977 CG ARG A 57 -9.844 -5.703 -1.671 1.00 0.00 C ATOM 978 CD ARG A 57 -9.960 -7.213 -1.455 1.00 0.00 C ATOM 979 NE ARG A 57 -11.289 -7.412 -0.804 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.654 -8.596 -0.372 1.00 0.00 C ATOM 981 NH1 ARG A 57 -10.861 -9.632 -0.491 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.823 -8.744 0.187 1.00 0.00 N ATOM 0 H ARG A 57 -7.203 -3.657 0.406 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.831 -3.935 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.817 -5.889 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.895 -5.055 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.754 -5.205 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.731 -5.483 -2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.899 -7.752 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.152 -7.584 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.920 -6.618 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.944 -9.525 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.160 -10.545 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.446 -7.943 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.114 -9.661 0.525 1.00 0.00 H new ATOM 996 N TYR A 58 -9.528 -2.070 -0.456 1.00 0.00 N ATOM 997 CA TYR A 58 -10.624 -1.062 -0.414 1.00 0.00 C ATOM 998 C TYR A 58 -10.406 -0.095 -1.555 1.00 0.00 C ATOM 999 O TYR A 58 -11.298 0.288 -2.286 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.410 -0.337 0.921 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.142 0.997 0.945 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.412 1.109 0.372 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.544 2.117 1.544 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -13.088 2.335 0.394 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.221 3.343 1.565 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.493 3.452 0.993 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.158 4.660 1.016 1.00 0.00 O ATOM 0 H TYR A 58 -8.943 -2.102 0.379 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.623 -1.489 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.764 -0.964 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.345 -0.173 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.873 0.248 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.563 2.033 1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.068 2.419 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.760 4.206 2.023 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.605 5.329 1.470 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.192 0.308 -1.662 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.794 1.277 -2.696 1.00 0.00 C ATOM 1019 C TRP A 59 -8.945 0.659 -4.067 1.00 0.00 C ATOM 1020 O TRP A 59 -9.647 1.168 -4.919 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.356 1.596 -2.330 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.434 2.278 -1.014 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.926 1.840 0.158 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.153 3.488 -0.727 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.265 2.750 1.150 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.025 3.788 0.644 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.883 4.351 -1.542 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.618 4.926 1.193 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.485 5.494 -1.001 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.352 5.783 0.364 1.00 0.00 C ATOM 0 H TRP A 59 -8.431 -0.002 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.402 2.181 -2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.754 0.689 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.891 2.237 -3.079 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.353 0.935 0.300 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.988 2.664 2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.985 4.137 -2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.512 5.143 2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.054 6.155 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.816 6.667 0.776 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.340 -0.464 -4.280 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.509 -1.139 -5.593 1.00 0.00 C ATOM 1043 C LEU A 60 -10.013 -1.331 -5.853 1.00 0.00 C ATOM 1044 O LEU A 60 -10.446 -1.485 -6.977 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.807 -2.490 -5.455 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.311 -2.324 -5.731 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.580 -3.618 -5.372 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.099 -2.015 -7.216 1.00 0.00 C ATOM 0 H LEU A 60 -7.739 -0.945 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.092 -0.568 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.960 -2.889 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.238 -3.208 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.918 -1.505 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.514 -3.500 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.732 -3.841 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.972 -4.437 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.034 -1.896 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.491 -2.835 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.621 -1.094 -7.474 1.00 0.00 H new ATOM 1060 N SER A 61 -10.811 -1.311 -4.805 1.00 0.00 N ATOM 1061 CA SER A 61 -12.279 -1.481 -4.981 1.00 0.00 C ATOM 1062 C SER A 61 -12.933 -0.155 -5.394 1.00 0.00 C ATOM 1063 O SER A 61 -13.994 -0.143 -5.986 1.00 0.00 O ATOM 1064 CB SER A 61 -12.801 -1.931 -3.617 1.00 0.00 C ATOM 1065 OG SER A 61 -14.094 -2.502 -3.776 1.00 0.00 O ATOM 0 H SER A 61 -10.502 -1.184 -3.841 1.00 0.00 H new ATOM 0 HA SER A 61 -12.510 -2.203 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.120 -2.659 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.846 -1.083 -2.934 1.00 0.00 H new ATOM 0 HG SER A 61 -14.432 -2.794 -2.904 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.316 0.964 -5.099 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.923 2.259 -5.493 1.00 0.00 C ATOM 1073 C VAL A 62 -12.268 2.761 -6.779 1.00 0.00 C ATOM 1074 O VAL A 62 -12.123 3.947 -7.001 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.666 3.232 -4.325 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.079 2.593 -2.998 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.184 3.610 -4.250 1.00 0.00 C ATOM 0 H VAL A 62 -11.425 1.030 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.992 2.167 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.260 4.129 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.891 3.292 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.140 2.347 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.500 1.684 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.025 4.297 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.587 2.711 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.884 4.091 -5.181 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.875 1.856 -7.623 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.226 2.252 -8.904 1.00 0.00 C ATOM 1089 C GLY A 63 -9.847 2.853 -8.623 1.00 0.00 C ATOM 1090 O GLY A 63 -9.367 3.692 -9.361 1.00 0.00 O ATOM 0 H GLY A 63 -11.975 0.851 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.128 1.384 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.849 2.977 -9.429 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.201 2.435 -7.566 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.855 2.990 -7.254 1.00 0.00 C ATOM 1096 C ALA A 64 -6.843 2.542 -8.308 1.00 0.00 C ATOM 1097 O ALA A 64 -6.809 1.392 -8.699 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.490 2.420 -5.885 1.00 0.00 C ATOM 0 H ALA A 64 -9.547 1.736 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.852 4.080 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.507 2.787 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.231 2.734 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.470 1.331 -5.938 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.020 3.440 -8.773 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.013 3.060 -9.803 1.00 0.00 C ATOM 1106 C GLN A 65 -3.621 2.923 -9.166 1.00 0.00 C ATOM 1107 O GLN A 65 -3.019 3.908 -8.787 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.029 4.208 -10.813 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.347 3.656 -12.204 1.00 0.00 C ATOM 1110 CD GLN A 65 -6.385 4.549 -12.885 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.042 5.411 -13.670 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -7.651 4.376 -12.618 1.00 0.00 N ATOM 0 H GLN A 65 -6.001 4.418 -8.485 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.242 2.102 -10.269 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.774 4.950 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.063 4.713 -10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.439 3.613 -12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.725 2.637 -12.124 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.939 3.653 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.352 4.964 -13.068 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.151 1.702 -9.068 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.814 1.455 -8.478 1.00 0.00 C ATOM 1123 C PRO A 66 -0.723 1.759 -9.513 1.00 0.00 C ATOM 1124 O PRO A 66 -0.762 1.271 -10.625 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.840 -0.032 -8.143 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.840 -0.632 -9.084 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.807 0.454 -9.480 1.00 0.00 C ATOM 0 HA PRO A 66 -1.602 2.077 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.856 -0.482 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.129 -0.196 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.341 -1.039 -9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.367 -1.458 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.999 0.442 -10.553 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.769 0.329 -8.983 1.00 0.00 H new ATOM 1135 N THR A 67 0.245 2.560 -9.162 1.00 0.00 N ATOM 1136 CA THR A 67 1.328 2.886 -10.139 1.00 0.00 C ATOM 1137 C THR A 67 1.959 1.598 -10.679 1.00 0.00 C ATOM 1138 O THR A 67 1.684 0.513 -10.201 1.00 0.00 O ATOM 1139 CB THR A 67 2.355 3.692 -9.341 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.443 4.037 -10.189 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.867 2.854 -8.170 1.00 0.00 C ATOM 0 H THR A 67 0.335 3.002 -8.247 1.00 0.00 H new ATOM 0 HA THR A 67 0.954 3.442 -10.999 1.00 0.00 H new ATOM 0 HB THR A 67 1.888 4.599 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.102 4.555 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.598 3.430 -7.603 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.033 2.588 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.336 1.946 -8.550 1.00 0.00 H new ATOM 1149 N ASP A 68 2.810 1.708 -11.668 1.00 0.00 N ATOM 1150 CA ASP A 68 3.463 0.488 -12.237 1.00 0.00 C ATOM 1151 C ASP A 68 4.560 -0.022 -11.293 1.00 0.00 C ATOM 1152 O ASP A 68 5.699 -0.187 -11.680 1.00 0.00 O ATOM 1153 CB ASP A 68 4.070 0.947 -13.565 1.00 0.00 C ATOM 1154 CG ASP A 68 3.026 0.825 -14.677 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.175 1.694 -14.762 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.098 -0.136 -15.426 1.00 0.00 O ATOM 0 H ASP A 68 3.081 2.588 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 68 2.757 -0.331 -12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.410 1.979 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.944 0.342 -13.805 1.00 0.00 H new ATOM 1161 N THR A 69 4.217 -0.271 -10.060 1.00 0.00 N ATOM 1162 CA THR A 69 5.209 -0.770 -9.063 1.00 0.00 C ATOM 1163 C THR A 69 4.451 -1.259 -7.835 1.00 0.00 C ATOM 1164 O THR A 69 4.555 -2.401 -7.432 1.00 0.00 O ATOM 1165 CB THR A 69 6.054 0.433 -8.677 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.379 1.202 -9.828 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.340 -0.033 -7.989 1.00 0.00 C ATOM 0 H THR A 69 3.273 -0.148 -9.693 1.00 0.00 H new ATOM 0 HA THR A 69 5.820 -1.581 -9.458 1.00 0.00 H new ATOM 0 HB THR A 69 5.480 1.054 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.673 0.605 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.941 0.834 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.088 -0.598 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.908 -0.667 -8.670 1.00 0.00 H new ATOM 1175 N ALA A 70 3.662 -0.393 -7.258 1.00 0.00 N ATOM 1176 CA ALA A 70 2.862 -0.782 -6.077 1.00 0.00 C ATOM 1177 C ALA A 70 1.836 -1.811 -6.520 1.00 0.00 C ATOM 1178 O ALA A 70 1.375 -2.621 -5.742 1.00 0.00 O ATOM 1179 CB ALA A 70 2.178 0.502 -5.608 1.00 0.00 C ATOM 0 H ALA A 70 3.541 0.573 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 70 3.458 -1.218 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.565 0.289 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.934 1.244 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.546 0.890 -6.407 1.00 0.00 H new ATOM 1185 N ARG A 71 1.493 -1.805 -7.784 1.00 0.00 N ATOM 1186 CA ARG A 71 0.528 -2.799 -8.272 1.00 0.00 C ATOM 1187 C ARG A 71 1.195 -4.157 -8.187 1.00 0.00 C ATOM 1188 O ARG A 71 0.601 -5.137 -7.784 1.00 0.00 O ATOM 1189 CB ARG A 71 0.238 -2.431 -9.729 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.904 -3.306 -10.251 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.855 -3.368 -11.779 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.628 -4.593 -12.136 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.938 -4.610 -12.052 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -3.604 -3.545 -11.683 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -3.586 -5.703 -12.346 1.00 0.00 N ATOM 0 H ARG A 71 1.845 -1.153 -8.485 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.398 -2.820 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.032 -1.378 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.131 -2.576 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.824 -4.310 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.862 -2.901 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.297 -2.477 -12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.172 -3.429 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.133 -5.428 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.105 -2.685 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.622 -3.575 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.075 -6.536 -12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.604 -5.725 -12.283 1.00 0.00 H new ATOM 1209 N ARG A 72 2.449 -4.214 -8.542 1.00 0.00 N ATOM 1210 CA ARG A 72 3.163 -5.503 -8.460 1.00 0.00 C ATOM 1211 C ARG A 72 3.317 -5.886 -6.993 1.00 0.00 C ATOM 1212 O ARG A 72 3.100 -7.017 -6.604 1.00 0.00 O ATOM 1213 CB ARG A 72 4.522 -5.260 -9.110 1.00 0.00 C ATOM 1214 CG ARG A 72 4.729 -6.269 -10.237 1.00 0.00 C ATOM 1215 CD ARG A 72 6.227 -6.470 -10.476 1.00 0.00 C ATOM 1216 NE ARG A 72 6.311 -7.584 -11.464 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.457 -8.168 -11.724 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.558 -7.789 -11.121 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.502 -9.138 -12.595 1.00 0.00 N ATOM 0 H ARG A 72 3.000 -3.426 -8.882 1.00 0.00 H new ATOM 0 HA ARG A 72 2.635 -6.315 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.574 -4.244 -9.502 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.315 -5.357 -8.369 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.261 -7.219 -9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.249 -5.914 -11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.691 -5.563 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.744 -6.723 -9.551 1.00 0.00 H new ATOM 0 HE ARG A 72 5.467 -7.896 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.531 -7.031 -10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.441 -8.253 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.650 -9.438 -13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.389 -9.597 -12.802 1.00 0.00 H new ATOM 1233 N LEU A 73 3.663 -4.937 -6.172 1.00 0.00 N ATOM 1234 CA LEU A 73 3.800 -5.217 -4.730 1.00 0.00 C ATOM 1235 C LEU A 73 2.419 -5.534 -4.176 1.00 0.00 C ATOM 1236 O LEU A 73 2.272 -6.280 -3.230 1.00 0.00 O ATOM 1237 CB LEU A 73 4.372 -3.936 -4.119 1.00 0.00 C ATOM 1238 CG LEU A 73 5.676 -3.562 -4.832 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.970 -2.076 -4.624 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.829 -4.392 -4.265 1.00 0.00 C ATOM 0 H LEU A 73 3.857 -3.974 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 73 4.449 -6.064 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.650 -3.124 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.557 -4.080 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 73 5.572 -3.765 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.898 -1.814 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.152 -1.483 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.070 -1.871 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.755 -4.124 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.930 -4.193 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.624 -5.452 -4.418 1.00 0.00 H new ATOM 1252 N LEU A 74 1.394 -5.008 -4.795 1.00 0.00 N ATOM 1253 CA LEU A 74 0.025 -5.329 -4.339 1.00 0.00 C ATOM 1254 C LEU A 74 -0.234 -6.791 -4.693 1.00 0.00 C ATOM 1255 O LEU A 74 -0.966 -7.494 -4.026 1.00 0.00 O ATOM 1256 CB LEU A 74 -0.899 -4.396 -5.124 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.977 -3.045 -4.414 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.467 -1.979 -5.394 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.951 -3.142 -3.239 1.00 0.00 C ATOM 0 H LEU A 74 1.453 -4.374 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.130 -5.196 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.525 -4.265 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.894 -4.835 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 74 0.012 -2.772 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.522 -1.016 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.773 -1.908 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.456 -2.251 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.007 -2.179 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.940 -3.416 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.602 -3.901 -2.539 1.00 0.00 H new ATOM 1271 N ARG A 75 0.413 -7.257 -5.733 1.00 0.00 N ATOM 1272 CA ARG A 75 0.272 -8.672 -6.142 1.00 0.00 C ATOM 1273 C ARG A 75 1.141 -9.519 -5.222 1.00 0.00 C ATOM 1274 O ARG A 75 0.849 -10.665 -4.938 1.00 0.00 O ATOM 1275 CB ARG A 75 0.807 -8.724 -7.576 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.219 -9.392 -8.489 1.00 0.00 C ATOM 1277 CD ARG A 75 0.507 -10.196 -9.573 1.00 0.00 C ATOM 1278 NE ARG A 75 -0.465 -10.290 -10.701 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.103 -10.791 -11.861 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.119 -11.221 -12.057 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.973 -10.860 -12.832 1.00 0.00 N ATOM 0 H ARG A 75 1.039 -6.703 -6.318 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.752 -9.041 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.020 -7.716 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.746 -9.277 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.866 -10.048 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.859 -8.638 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.426 -9.699 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.787 -11.185 -9.210 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.422 -9.962 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.805 -11.170 -11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.385 -11.607 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.926 -10.526 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.700 -11.247 -13.735 1.00 0.00 H new ATOM 1295 N GLN A 76 2.215 -8.947 -4.757 1.00 0.00 N ATOM 1296 CA GLN A 76 3.126 -9.677 -3.858 1.00 0.00 C ATOM 1297 C GLN A 76 2.579 -9.664 -2.443 1.00 0.00 C ATOM 1298 O GLN A 76 2.756 -10.590 -1.677 1.00 0.00 O ATOM 1299 CB GLN A 76 4.428 -8.899 -3.956 1.00 0.00 C ATOM 1300 CG GLN A 76 5.601 -9.798 -3.574 1.00 0.00 C ATOM 1301 CD GLN A 76 5.977 -10.671 -4.771 1.00 0.00 C ATOM 1302 OE1 GLN A 76 6.114 -11.872 -4.645 1.00 0.00 O ATOM 1303 NE2 GLN A 76 6.151 -10.113 -5.937 1.00 0.00 N ATOM 0 H GLN A 76 2.497 -7.990 -4.970 1.00 0.00 H new ATOM 0 HA GLN A 76 3.252 -10.726 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.562 -8.523 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.394 -8.032 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.454 -9.192 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.333 -10.424 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.036 -9.105 -6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.402 -10.685 -6.744 1.00 0.00 H new ATOM 1312 N ALA A 77 1.903 -8.620 -2.108 1.00 0.00 N ATOM 1313 CA ALA A 77 1.311 -8.515 -0.755 1.00 0.00 C ATOM 1314 C ALA A 77 0.067 -9.409 -0.644 1.00 0.00 C ATOM 1315 O ALA A 77 -0.553 -9.493 0.398 1.00 0.00 O ATOM 1316 CB ALA A 77 0.923 -7.046 -0.617 1.00 0.00 C ATOM 0 H ALA A 77 1.730 -7.821 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 77 2.001 -8.837 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.474 -6.879 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.812 -6.424 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.205 -6.785 -1.395 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.309 -10.071 -1.710 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.517 -10.943 -1.659 1.00 0.00 C ATOM 1324 C GLY A 78 -2.761 -10.059 -1.635 1.00 0.00 C ATOM 1325 O GLY A 78 -3.615 -10.194 -0.781 1.00 0.00 O ATOM 0 H GLY A 78 0.169 -10.044 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.541 -11.605 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.488 -11.577 -0.773 1.00 0.00 H new ATOM 1329 N VAL A 79 -2.863 -9.138 -2.557 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.040 -8.235 -2.568 1.00 0.00 C ATOM 1331 C VAL A 79 -5.098 -8.689 -3.578 1.00 0.00 C ATOM 1332 O VAL A 79 -6.223 -8.977 -3.220 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.491 -6.870 -2.952 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -4.621 -5.840 -2.940 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -2.412 -6.456 -1.948 1.00 0.00 C ATOM 0 H VAL A 79 -2.182 -8.976 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.537 -8.227 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.060 -6.921 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.225 -4.862 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.390 -6.135 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.055 -5.787 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.017 -5.478 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.845 -6.406 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.605 -7.189 -1.958 1.00 0.00 H new