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=-0.00116 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -152:sc= 0.0203 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= -0.181 USER MOD Single : A 69 THR OG1 : rot -55:sc=-0.00194! USER MOD Single : A 76 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.053 8.335 -7.269 1.00 0.00 N ATOM 21 CA VAL A 2 -7.248 7.779 -6.142 1.00 0.00 C ATOM 22 C VAL A 2 -6.237 6.755 -6.666 1.00 0.00 C ATOM 23 O VAL A 2 -6.564 5.900 -7.464 1.00 0.00 O ATOM 24 CB VAL A 2 -8.265 7.100 -5.225 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.543 6.503 -4.016 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.291 8.131 -4.746 1.00 0.00 C ATOM 0 HA VAL A 2 -6.680 8.551 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.774 6.308 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.268 6.019 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.812 5.768 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.033 7.296 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.016 7.646 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.782 8.924 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.807 8.558 -5.606 1.00 0.00 H new ATOM 36 N LYS A 3 -5.009 6.840 -6.232 1.00 0.00 N ATOM 37 CA LYS A 3 -3.984 5.870 -6.712 1.00 0.00 C ATOM 38 C LYS A 3 -3.051 5.460 -5.568 1.00 0.00 C ATOM 39 O LYS A 3 -2.687 6.265 -4.735 1.00 0.00 O ATOM 40 CB LYS A 3 -3.208 6.626 -7.789 1.00 0.00 C ATOM 41 CG LYS A 3 -4.145 6.959 -8.950 1.00 0.00 C ATOM 42 CD LYS A 3 -3.360 7.678 -10.048 1.00 0.00 C ATOM 43 CE LYS A 3 -3.392 6.843 -11.327 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.930 7.766 -12.400 1.00 0.00 N ATOM 0 H LYS A 3 -4.672 7.537 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.433 4.952 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.786 7.541 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.373 6.022 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.591 6.046 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.964 7.589 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.791 8.662 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.330 7.836 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.740 5.973 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.396 6.471 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.925 7.264 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.573 8.581 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.969 8.098 -12.182 1.00 0.00 H new ATOM 58 N ILE A 4 -2.639 4.220 -5.534 1.00 0.00 N ATOM 59 CA ILE A 4 -1.710 3.778 -4.460 1.00 0.00 C ATOM 60 C ILE A 4 -0.286 3.715 -5.028 1.00 0.00 C ATOM 61 O ILE A 4 -0.067 3.231 -6.119 1.00 0.00 O ATOM 62 CB ILE A 4 -2.212 2.402 -4.012 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.463 2.580 -3.150 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.137 1.684 -3.189 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.184 1.238 -3.016 1.00 0.00 C ATOM 0 H ILE A 4 -2.906 3.498 -6.203 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.684 4.460 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.443 1.805 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.188 2.958 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.126 3.318 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.509 0.708 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.240 1.555 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.896 2.278 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.076 1.364 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.472 0.879 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.519 0.513 -2.546 1.00 0.00 H new ATOM 77 N ARG A 5 0.681 4.214 -4.310 1.00 0.00 N ATOM 78 CA ARG A 5 2.072 4.191 -4.836 1.00 0.00 C ATOM 79 C ARG A 5 3.086 4.131 -3.696 1.00 0.00 C ATOM 80 O ARG A 5 2.730 4.084 -2.538 1.00 0.00 O ATOM 81 CB ARG A 5 2.225 5.494 -5.625 1.00 0.00 C ATOM 82 CG ARG A 5 1.820 6.683 -4.750 1.00 0.00 C ATOM 83 CD ARG A 5 2.903 7.763 -4.817 1.00 0.00 C ATOM 84 NE ARG A 5 2.247 8.929 -5.481 1.00 0.00 N ATOM 85 CZ ARG A 5 2.099 8.971 -6.785 1.00 0.00 C ATOM 86 NH1 ARG A 5 2.535 7.999 -7.548 1.00 0.00 N ATOM 87 NH2 ARG A 5 1.514 10.002 -7.332 1.00 0.00 N ATOM 0 H ARG A 5 0.569 4.634 -3.387 1.00 0.00 H new ATOM 0 HA ARG A 5 2.254 3.313 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.257 5.610 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.604 5.462 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.867 7.088 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.680 6.358 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.260 8.026 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.767 7.420 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 5 1.909 9.705 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.999 7.192 -7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.411 8.049 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.176 10.766 -6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.395 10.043 -8.344 1.00 0.00 H new ATOM 101 N LEU A 6 4.350 4.151 -4.018 1.00 0.00 N ATOM 102 CA LEU A 6 5.391 4.099 -2.956 1.00 0.00 C ATOM 103 C LEU A 6 5.732 5.514 -2.493 1.00 0.00 C ATOM 104 O LEU A 6 6.067 6.376 -3.281 1.00 0.00 O ATOM 105 CB LEU A 6 6.605 3.452 -3.626 1.00 0.00 C ATOM 106 CG LEU A 6 6.418 1.937 -3.662 1.00 0.00 C ATOM 107 CD1 LEU A 6 5.779 1.533 -4.992 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.777 1.252 -3.518 1.00 0.00 C ATOM 0 H LEU A 6 4.706 4.201 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 6 5.063 3.542 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.725 3.839 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.513 3.704 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 6 5.769 1.631 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.645 0.452 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.810 2.021 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.426 1.838 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.644 0.170 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.427 1.557 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.231 1.539 -2.569 1.00 0.00 H new ATOM 120 N ALA A 7 5.629 5.761 -1.219 1.00 0.00 N ATOM 121 CA ALA A 7 5.923 7.121 -0.693 1.00 0.00 C ATOM 122 C ALA A 7 7.334 7.187 -0.111 1.00 0.00 C ATOM 123 O ALA A 7 7.618 6.585 0.893 1.00 0.00 O ATOM 124 CB ALA A 7 4.895 7.298 0.412 1.00 0.00 C ATOM 0 H ALA A 7 5.352 5.076 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 7 5.873 7.891 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.022 8.277 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.892 7.222 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.033 6.522 1.165 1.00 0.00 H new ATOM 130 N ARG A 8 8.219 7.909 -0.737 1.00 0.00 N ATOM 131 CA ARG A 8 9.610 7.990 -0.212 1.00 0.00 C ATOM 132 C ARG A 8 9.709 8.948 0.979 1.00 0.00 C ATOM 133 O ARG A 8 9.434 10.127 0.871 1.00 0.00 O ATOM 134 CB ARG A 8 10.446 8.496 -1.386 1.00 0.00 C ATOM 135 CG ARG A 8 10.296 7.535 -2.567 1.00 0.00 C ATOM 136 CD ARG A 8 9.308 8.121 -3.577 1.00 0.00 C ATOM 137 NE ARG A 8 9.974 7.970 -4.903 1.00 0.00 N ATOM 138 CZ ARG A 8 9.284 8.065 -6.016 1.00 0.00 C ATOM 139 NH1 ARG A 8 7.994 8.289 -5.992 1.00 0.00 N ATOM 140 NH2 ARG A 8 9.892 7.932 -7.163 1.00 0.00 N ATOM 0 H ARG A 8 8.041 8.445 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 8 9.955 7.024 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.122 9.496 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.494 8.572 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.263 7.371 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.943 6.565 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.356 7.590 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.096 9.168 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 8 10.977 7.791 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.511 8.392 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.472 8.360 -6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.896 7.756 -7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.363 8.004 -8.032 1.00 0.00 H new ATOM 276 N TYR A 17 9.695 2.991 1.269 1.00 0.00 N ATOM 277 CA TYR A 17 8.501 3.739 0.829 1.00 0.00 C ATOM 278 C TYR A 17 7.254 3.041 1.336 1.00 0.00 C ATOM 279 O TYR A 17 7.253 1.845 1.547 1.00 0.00 O ATOM 280 CB TYR A 17 8.487 3.672 -0.691 1.00 0.00 C ATOM 281 CG TYR A 17 9.810 4.070 -1.298 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.708 4.879 -0.601 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.119 3.633 -2.588 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.916 5.253 -1.192 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.324 4.002 -3.181 1.00 0.00 C ATOM 286 CZ TYR A 17 12.228 4.815 -2.485 1.00 0.00 C ATOM 287 OH TYR A 17 13.421 5.184 -3.071 1.00 0.00 O ATOM 0 HA TYR A 17 8.524 4.764 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.237 2.659 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.704 4.326 -1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.468 5.216 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.422 3.008 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.610 5.880 -0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.562 3.661 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 17 13.479 4.794 -3.968 1.00 0.00 H new ATOM 297 N ARG A 18 6.182 3.753 1.490 1.00 0.00 N ATOM 298 CA ARG A 18 4.942 3.090 1.929 1.00 0.00 C ATOM 299 C ARG A 18 4.029 2.968 0.721 1.00 0.00 C ATOM 300 O ARG A 18 4.084 3.774 -0.188 1.00 0.00 O ATOM 301 CB ARG A 18 4.339 3.997 2.999 1.00 0.00 C ATOM 302 CG ARG A 18 3.585 3.163 4.026 1.00 0.00 C ATOM 303 CD ARG A 18 2.160 3.695 4.169 1.00 0.00 C ATOM 304 NE ARG A 18 2.310 4.980 4.912 1.00 0.00 N ATOM 305 CZ ARG A 18 2.687 4.991 6.170 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.894 3.874 6.821 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.846 6.130 6.785 1.00 0.00 N ATOM 0 H ARG A 18 6.114 4.758 1.331 1.00 0.00 H new ATOM 0 HA ARG A 18 5.102 2.091 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.127 4.567 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.664 4.718 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.565 2.118 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.097 3.201 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.696 3.852 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.528 2.994 4.714 1.00 0.00 H new ATOM 0 HE ARG A 18 2.117 5.862 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.763 2.978 6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.187 3.900 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.678 7.005 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.139 6.146 7.762 1.00 0.00 H new ATOM 321 N ILE A 19 3.170 2.002 0.708 1.00 0.00 N ATOM 322 CA ILE A 19 2.240 1.873 -0.431 1.00 0.00 C ATOM 323 C ILE A 19 0.977 2.513 0.083 1.00 0.00 C ATOM 324 O ILE A 19 0.083 1.882 0.611 1.00 0.00 O ATOM 325 CB ILE A 19 2.084 0.377 -0.733 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.333 -0.407 -0.311 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.918 0.175 -2.233 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.552 0.204 -1.002 1.00 0.00 C ATOM 0 H ILE A 19 3.071 1.295 1.437 1.00 0.00 H new ATOM 0 HA ILE A 19 2.555 2.344 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 19 1.215 0.020 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.454 -0.370 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.230 -1.457 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.807 -0.888 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.032 0.708 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.796 0.560 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.448 -0.344 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.425 0.144 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.653 1.248 -0.706 1.00 0.00 H new ATOM 340 N VAL A 20 0.989 3.805 0.030 1.00 0.00 N ATOM 341 CA VAL A 20 -0.094 4.611 0.609 1.00 0.00 C ATOM 342 C VAL A 20 -1.106 5.020 -0.465 1.00 0.00 C ATOM 343 O VAL A 20 -0.863 4.892 -1.649 1.00 0.00 O ATOM 344 CB VAL A 20 0.702 5.792 1.216 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.601 7.060 0.370 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.219 6.077 2.630 1.00 0.00 C ATOM 0 H VAL A 20 1.732 4.350 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.715 4.105 1.348 1.00 0.00 H new ATOM 0 HB VAL A 20 1.751 5.495 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.177 7.858 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.997 6.865 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.443 7.363 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.786 6.909 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.840 6.334 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.365 5.192 3.250 1.00 0.00 H new ATOM 356 N VAL A 21 -2.260 5.452 -0.049 1.00 0.00 N ATOM 357 CA VAL A 21 -3.316 5.802 -1.027 1.00 0.00 C ATOM 358 C VAL A 21 -3.541 7.317 -1.058 1.00 0.00 C ATOM 359 O VAL A 21 -4.005 7.906 -0.103 1.00 0.00 O ATOM 360 CB VAL A 21 -4.603 5.080 -0.557 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.387 4.646 -1.788 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.324 3.818 0.293 1.00 0.00 C ATOM 0 H VAL A 21 -2.516 5.577 0.930 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.033 5.496 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.154 5.784 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.298 4.135 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.647 5.523 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.778 3.969 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.269 3.362 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.745 3.105 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.761 4.097 1.184 1.00 0.00 H new ATOM 372 N THR A 22 -3.221 7.950 -2.156 1.00 0.00 N ATOM 373 CA THR A 22 -3.420 9.428 -2.254 1.00 0.00 C ATOM 374 C THR A 22 -3.948 9.805 -3.641 1.00 0.00 C ATOM 375 O THR A 22 -4.377 8.963 -4.405 1.00 0.00 O ATOM 376 CB THR A 22 -2.032 10.034 -2.031 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.085 11.434 -2.271 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.026 9.392 -2.989 1.00 0.00 C ATOM 0 H THR A 22 -2.831 7.509 -2.989 1.00 0.00 H new ATOM 0 HA THR A 22 -4.147 9.791 -1.527 1.00 0.00 H new ATOM 0 HB THR A 22 -1.719 9.849 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.198 11.824 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.040 9.827 -2.826 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.984 8.318 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.337 9.573 -4.018 1.00 0.00 H new ATOM 543 N TYR A 32 -1.962 11.534 1.683 1.00 0.00 N ATOM 544 CA TYR A 32 -2.770 10.345 1.271 1.00 0.00 C ATOM 545 C TYR A 32 -4.000 10.191 2.167 1.00 0.00 C ATOM 546 O TYR A 32 -4.050 10.700 3.269 1.00 0.00 O ATOM 547 CB TYR A 32 -1.851 9.125 1.429 1.00 0.00 C ATOM 548 CG TYR A 32 -1.137 9.172 2.761 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.834 8.896 3.942 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.224 9.493 2.810 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.169 8.940 5.172 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.890 9.539 4.039 1.00 0.00 C ATOM 553 CZ TYR A 32 0.193 9.261 5.222 1.00 0.00 C ATOM 554 OH TYR A 32 0.847 9.306 6.436 1.00 0.00 O ATOM 0 HA TYR A 32 -3.126 10.451 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.437 8.209 1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.122 9.104 0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.885 8.649 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.761 9.706 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.707 8.726 6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.940 9.788 4.076 1.00 0.00 H new ATOM 0 HH TYR A 32 1.787 9.543 6.293 1.00 0.00 H new ATOM 564 N ILE A 33 -4.988 9.482 1.699 1.00 0.00 N ATOM 565 CA ILE A 33 -6.218 9.274 2.512 1.00 0.00 C ATOM 566 C ILE A 33 -5.920 8.296 3.655 1.00 0.00 C ATOM 567 O ILE A 33 -6.063 8.619 4.818 1.00 0.00 O ATOM 568 CB ILE A 33 -7.232 8.682 1.526 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.693 9.776 0.560 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.446 8.130 2.280 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.946 9.632 -0.768 1.00 0.00 C ATOM 0 H ILE A 33 -4.996 9.035 0.782 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.590 10.190 2.972 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.758 7.870 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.768 9.701 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.505 10.759 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.158 7.713 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.122 7.350 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.923 8.934 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.274 10.411 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.874 9.729 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.157 8.654 -1.200 1.00 0.00 H new ATOM 583 N GLU A 34 -5.506 7.103 3.328 1.00 0.00 N ATOM 584 CA GLU A 34 -5.195 6.103 4.388 1.00 0.00 C ATOM 585 C GLU A 34 -4.015 5.231 3.953 1.00 0.00 C ATOM 586 O GLU A 34 -3.808 4.989 2.781 1.00 0.00 O ATOM 587 CB GLU A 34 -6.465 5.262 4.521 1.00 0.00 C ATOM 588 CG GLU A 34 -6.806 5.081 6.001 1.00 0.00 C ATOM 589 CD GLU A 34 -7.387 3.684 6.226 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.143 3.235 5.380 1.00 0.00 O ATOM 591 OE2 GLU A 34 -7.065 3.087 7.240 1.00 0.00 O ATOM 0 H GLU A 34 -5.369 6.777 2.371 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.916 6.570 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.292 5.749 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.321 4.290 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.912 5.217 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.523 5.839 6.315 1.00 0.00 H new ATOM 598 N LYS A 35 -3.240 4.758 4.889 1.00 0.00 N ATOM 599 CA LYS A 35 -2.074 3.901 4.529 1.00 0.00 C ATOM 600 C LYS A 35 -2.497 2.433 4.495 1.00 0.00 C ATOM 601 O LYS A 35 -3.054 1.922 5.446 1.00 0.00 O ATOM 602 CB LYS A 35 -1.058 4.126 5.647 1.00 0.00 C ATOM 603 CG LYS A 35 -0.756 5.619 5.776 1.00 0.00 C ATOM 604 CD LYS A 35 -1.059 6.077 7.203 1.00 0.00 C ATOM 605 CE LYS A 35 0.248 6.197 7.990 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.168 6.281 9.418 1.00 0.00 N ATOM 0 H LYS A 35 -3.363 4.927 5.887 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.668 4.147 3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.448 3.741 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.141 3.577 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.289 5.812 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.357 6.186 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.575 7.037 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.725 5.366 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.893 5.336 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.810 7.082 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.675 6.365 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.776 7.114 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.694 5.422 9.677 1.00 0.00 H new ATOM 620 N ILE A 36 -2.242 1.745 3.414 1.00 0.00 N ATOM 621 CA ILE A 36 -2.647 0.307 3.360 1.00 0.00 C ATOM 622 C ILE A 36 -1.460 -0.593 3.079 1.00 0.00 C ATOM 623 O ILE A 36 -1.471 -1.759 3.424 1.00 0.00 O ATOM 624 CB ILE A 36 -3.698 0.212 2.256 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.130 0.688 0.909 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.880 1.097 2.640 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.256 -0.401 0.289 1.00 0.00 C ATOM 0 H ILE A 36 -1.780 2.106 2.580 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.048 -0.029 4.316 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.007 -0.828 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.946 0.940 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.544 1.596 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.643 1.043 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.300 0.753 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.543 2.128 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.860 -0.051 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.430 -0.632 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.853 -1.298 0.126 1.00 0.00 H new ATOM 639 N GLY A 37 -0.439 -0.088 2.460 1.00 0.00 N ATOM 640 CA GLY A 37 0.719 -0.958 2.178 1.00 0.00 C ATOM 641 C GLY A 37 2.003 -0.314 2.665 1.00 0.00 C ATOM 642 O GLY A 37 2.077 0.880 2.856 1.00 0.00 O ATOM 0 H GLY A 37 -0.358 0.878 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.583 -1.923 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.785 -1.148 1.107 1.00 0.00 H new ATOM 646 N TYR A 38 3.030 -1.101 2.824 1.00 0.00 N ATOM 647 CA TYR A 38 4.345 -0.555 3.253 1.00 0.00 C ATOM 648 C TYR A 38 5.441 -1.240 2.441 1.00 0.00 C ATOM 649 O TYR A 38 5.337 -2.409 2.124 1.00 0.00 O ATOM 650 CB TYR A 38 4.473 -0.907 4.734 1.00 0.00 C ATOM 651 CG TYR A 38 5.791 -0.386 5.256 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.953 0.984 5.491 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.849 -1.267 5.503 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.172 1.472 5.973 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.069 -0.780 5.985 1.00 0.00 C ATOM 656 CZ TYR A 38 8.231 0.592 6.221 1.00 0.00 C ATOM 657 OH TYR A 38 9.432 1.073 6.698 1.00 0.00 O ATOM 0 H TYR A 38 3.013 -2.110 2.673 1.00 0.00 H new ATOM 0 HA TYR A 38 4.430 0.521 3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.647 -0.471 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.416 -1.987 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.137 1.665 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.724 -2.324 5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.296 2.529 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.885 -1.461 6.175 1.00 0.00 H new ATOM 0 HH TYR A 38 10.159 0.483 6.409 1.00 0.00 H new ATOM 667 N TYR A 39 6.489 -0.542 2.098 1.00 0.00 N ATOM 668 CA TYR A 39 7.563 -1.206 1.308 1.00 0.00 C ATOM 669 C TYR A 39 8.931 -0.788 1.855 1.00 0.00 C ATOM 670 O TYR A 39 9.178 0.379 2.088 1.00 0.00 O ATOM 671 CB TYR A 39 7.397 -0.714 -0.128 1.00 0.00 C ATOM 672 CG TYR A 39 8.504 -1.285 -0.984 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.795 -0.750 -0.918 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.236 -2.360 -1.842 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.817 -1.289 -1.709 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.259 -2.897 -2.632 1.00 0.00 C ATOM 677 CZ TYR A 39 10.550 -2.363 -2.565 1.00 0.00 C ATOM 678 OH TYR A 39 11.557 -2.894 -3.344 1.00 0.00 O ATOM 0 H TYR A 39 6.647 0.440 2.325 1.00 0.00 H new ATOM 0 HA TYR A 39 7.497 -2.293 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.426 -1.018 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.425 0.375 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.003 0.078 -0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.240 -2.774 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.813 -0.875 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.051 -3.725 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 39 11.201 -3.634 -3.879 1.00 0.00 H new ATOM 688 N ASP A 40 9.824 -1.713 2.062 1.00 0.00 N ATOM 689 CA ASP A 40 11.168 -1.331 2.592 1.00 0.00 C ATOM 690 C ASP A 40 12.268 -2.153 1.910 1.00 0.00 C ATOM 691 O ASP A 40 12.424 -3.321 2.196 1.00 0.00 O ATOM 692 CB ASP A 40 11.107 -1.650 4.086 1.00 0.00 C ATOM 693 CG ASP A 40 12.269 -0.960 4.799 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.280 -0.731 4.156 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.129 -0.670 5.976 1.00 0.00 O ATOM 0 H ASP A 40 9.687 -2.709 1.890 1.00 0.00 H new ATOM 0 HA ASP A 40 11.401 -0.282 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.158 -1.313 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.158 -2.728 4.242 1.00 0.00 H new ATOM 838 N LEU A 49 8.064 -6.768 1.942 1.00 0.00 N ATOM 839 CA LEU A 49 6.712 -6.233 1.594 1.00 0.00 C ATOM 840 C LEU A 49 5.730 -6.489 2.739 1.00 0.00 C ATOM 841 O LEU A 49 5.608 -7.594 3.232 1.00 0.00 O ATOM 842 CB LEU A 49 6.283 -7.021 0.353 1.00 0.00 C ATOM 843 CG LEU A 49 4.977 -6.444 -0.201 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.098 -6.253 -1.712 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.828 -7.408 0.100 1.00 0.00 C ATOM 0 HA LEU A 49 6.730 -5.158 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.063 -6.974 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.148 -8.072 0.607 1.00 0.00 H new ATOM 0 HG LEU A 49 4.779 -5.481 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.167 -5.842 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.916 -5.566 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.297 -7.214 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.897 -6.999 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.028 -8.371 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.738 -7.542 1.178 1.00 0.00 H new ATOM 857 N LYS A 50 5.021 -5.480 3.154 1.00 0.00 N ATOM 858 CA LYS A 50 4.033 -5.659 4.256 1.00 0.00 C ATOM 859 C LYS A 50 2.770 -4.861 3.930 1.00 0.00 C ATOM 860 O LYS A 50 2.648 -3.706 4.286 1.00 0.00 O ATOM 861 CB LYS A 50 4.721 -5.099 5.503 1.00 0.00 C ATOM 862 CG LYS A 50 3.759 -5.156 6.694 1.00 0.00 C ATOM 863 CD LYS A 50 3.779 -6.559 7.304 1.00 0.00 C ATOM 864 CE LYS A 50 4.395 -6.501 8.705 1.00 0.00 C ATOM 865 NZ LYS A 50 3.293 -6.036 9.592 1.00 0.00 N ATOM 0 H LYS A 50 5.082 -4.534 2.777 1.00 0.00 H new ATOM 0 HA LYS A 50 3.738 -6.699 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.621 -5.674 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.035 -4.070 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.048 -4.419 7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.749 -4.903 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.766 -6.958 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.354 -7.234 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.765 -7.479 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.242 -5.816 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.639 -5.971 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.966 -5.100 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.503 -6.711 9.548 1.00 0.00 H new ATOM 879 N VAL A 51 1.835 -5.455 3.237 1.00 0.00 N ATOM 880 CA VAL A 51 0.604 -4.701 2.879 1.00 0.00 C ATOM 881 C VAL A 51 -0.639 -5.343 3.490 1.00 0.00 C ATOM 882 O VAL A 51 -0.903 -6.515 3.306 1.00 0.00 O ATOM 883 CB VAL A 51 0.543 -4.740 1.331 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.906 -4.820 0.816 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.159 -3.467 0.775 1.00 0.00 C ATOM 0 H VAL A 51 1.871 -6.420 2.907 1.00 0.00 H new ATOM 0 HA VAL A 51 0.632 -3.681 3.262 1.00 0.00 H new ATOM 0 HB VAL A 51 1.086 -5.627 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.904 -4.845 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.379 -5.724 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.462 -3.947 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.119 -3.489 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.603 -2.604 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.197 -3.394 1.098 1.00 0.00 H new ATOM 895 N ASP A 52 -1.441 -4.559 4.144 1.00 0.00 N ATOM 896 CA ASP A 52 -2.706 -5.101 4.680 1.00 0.00 C ATOM 897 C ASP A 52 -3.640 -5.259 3.485 1.00 0.00 C ATOM 898 O ASP A 52 -4.552 -4.477 3.300 1.00 0.00 O ATOM 899 CB ASP A 52 -3.225 -4.038 5.650 1.00 0.00 C ATOM 900 CG ASP A 52 -4.045 -4.708 6.755 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.484 -5.516 7.477 1.00 0.00 O ATOM 902 OD2 ASP A 52 -5.221 -4.402 6.862 1.00 0.00 O ATOM 0 H ASP A 52 -1.274 -3.570 4.329 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.611 -6.058 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.390 -3.489 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.839 -3.313 5.116 1.00 0.00 H new ATOM 907 N VAL A 53 -3.365 -6.237 2.643 1.00 0.00 N ATOM 908 CA VAL A 53 -4.178 -6.464 1.394 1.00 0.00 C ATOM 909 C VAL A 53 -5.657 -6.105 1.610 1.00 0.00 C ATOM 910 O VAL A 53 -6.311 -5.625 0.711 1.00 0.00 O ATOM 911 CB VAL A 53 -3.970 -7.955 1.000 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.827 -8.843 2.238 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.146 -8.465 0.152 1.00 0.00 C ATOM 0 H VAL A 53 -2.599 -6.898 2.771 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.850 -5.814 0.583 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.050 -8.008 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.683 -9.878 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.967 -8.516 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.729 -8.768 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.979 -9.509 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.071 -8.379 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.224 -7.869 -0.757 1.00 0.00 H new ATOM 923 N GLU A 54 -6.178 -6.291 2.790 1.00 0.00 N ATOM 924 CA GLU A 54 -7.594 -5.907 3.023 1.00 0.00 C ATOM 925 C GLU A 54 -7.742 -4.401 2.795 1.00 0.00 C ATOM 926 O GLU A 54 -8.565 -3.954 2.021 1.00 0.00 O ATOM 927 CB GLU A 54 -7.877 -6.270 4.482 1.00 0.00 C ATOM 928 CG GLU A 54 -9.271 -5.777 4.872 1.00 0.00 C ATOM 929 CD GLU A 54 -9.825 -6.649 6.000 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.491 -7.822 6.033 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.572 -6.130 6.812 1.00 0.00 O ATOM 0 H GLU A 54 -5.690 -6.688 3.593 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.289 -6.412 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.811 -7.349 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.126 -5.820 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.223 -4.736 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.936 -5.815 4.009 1.00 0.00 H new ATOM 938 N ARG A 55 -6.931 -3.622 3.453 1.00 0.00 N ATOM 939 CA ARG A 55 -6.990 -2.146 3.273 1.00 0.00 C ATOM 940 C ARG A 55 -6.454 -1.784 1.884 1.00 0.00 C ATOM 941 O ARG A 55 -6.966 -0.912 1.209 1.00 0.00 O ATOM 942 CB ARG A 55 -6.086 -1.587 4.372 1.00 0.00 C ATOM 943 CG ARG A 55 -6.942 -0.963 5.474 1.00 0.00 C ATOM 944 CD ARG A 55 -7.354 0.450 5.060 1.00 0.00 C ATOM 945 NE ARG A 55 -8.698 0.288 4.438 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.765 0.113 5.181 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.674 0.042 6.486 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.934 0.000 4.612 1.00 0.00 N ATOM 0 H ARG A 55 -6.224 -3.947 4.113 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.001 -1.744 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.466 -2.382 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.410 -0.840 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.827 -1.574 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.383 -0.931 6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.394 1.118 5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.641 0.879 4.356 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.790 0.313 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.764 0.123 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.513 -0.094 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.014 0.048 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.768 -0.136 5.183 1.00 0.00 H new ATOM 962 N ALA A 56 -5.444 -2.476 1.437 1.00 0.00 N ATOM 963 CA ALA A 56 -4.902 -2.202 0.087 1.00 0.00 C ATOM 964 C ALA A 56 -5.943 -2.645 -0.944 1.00 0.00 C ATOM 965 O ALA A 56 -5.948 -2.194 -2.071 1.00 0.00 O ATOM 966 CB ALA A 56 -3.622 -3.037 0.002 1.00 0.00 C ATOM 0 H ALA A 56 -4.973 -3.220 1.952 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.686 -1.150 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.156 -2.890 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.931 -2.725 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.866 -4.091 0.133 1.00 0.00 H new ATOM 972 N ARG A 57 -6.847 -3.514 -0.549 1.00 0.00 N ATOM 973 CA ARG A 57 -7.904 -3.965 -1.487 1.00 0.00 C ATOM 974 C ARG A 57 -9.065 -2.964 -1.457 1.00 0.00 C ATOM 975 O ARG A 57 -9.797 -2.814 -2.415 1.00 0.00 O ATOM 976 CB ARG A 57 -8.352 -5.334 -0.970 1.00 0.00 C ATOM 977 CG ARG A 57 -9.526 -5.845 -1.809 1.00 0.00 C ATOM 978 CD ARG A 57 -9.513 -7.376 -1.827 1.00 0.00 C ATOM 979 NE ARG A 57 -10.861 -7.768 -2.331 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.915 -7.708 -1.552 1.00 0.00 C ATOM 981 NH1 ARG A 57 -11.814 -7.297 -0.312 1.00 0.00 N ATOM 982 NH2 ARG A 57 -13.082 -8.063 -2.019 1.00 0.00 N ATOM 0 H ARG A 57 -6.891 -3.925 0.384 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.553 -4.030 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.523 -6.040 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.646 -5.259 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.467 -5.484 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.456 -5.458 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.723 -7.756 -2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.331 -7.781 -0.831 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.965 -8.087 -3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.906 -7.018 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.643 -7.256 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.169 -8.384 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.906 -8.019 -1.419 1.00 0.00 H new ATOM 996 N TYR A 58 -9.209 -2.256 -0.366 1.00 0.00 N ATOM 997 CA TYR A 58 -10.283 -1.234 -0.259 1.00 0.00 C ATOM 998 C TYR A 58 -10.052 -0.216 -1.346 1.00 0.00 C ATOM 999 O TYR A 58 -10.946 0.241 -2.031 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.052 -0.588 1.107 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.857 0.689 1.244 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.224 0.690 0.951 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.230 1.873 1.665 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.968 1.870 1.078 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.974 3.051 1.791 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.343 3.049 1.499 1.00 0.00 C ATOM 1007 OH TYR A 58 -13.077 4.212 1.624 1.00 0.00 O ATOM 0 H TYR A 58 -8.620 -2.347 0.462 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.291 -1.637 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.332 -1.286 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.992 -0.370 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.707 -0.220 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.174 1.874 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.024 1.870 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.492 3.962 2.114 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.492 4.937 1.927 1.00 0.00 H new ATOM 1017 N TRP A 59 -8.824 0.144 -1.472 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.433 1.147 -2.475 1.00 0.00 C ATOM 1019 C TRP A 59 -8.597 0.575 -3.869 1.00 0.00 C ATOM 1020 O TRP A 59 -9.342 1.088 -4.681 1.00 0.00 O ATOM 1021 CB TRP A 59 -6.996 1.469 -2.107 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.097 2.180 -0.810 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.568 1.788 0.363 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -7.858 3.374 -0.545 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -6.932 2.707 1.339 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.734 3.707 0.818 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.626 4.197 -1.371 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.363 4.832 1.349 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.263 5.325 -0.848 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.133 5.646 0.508 1.00 0.00 C ATOM 0 H TRP A 59 -8.056 -0.222 -0.910 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.044 2.050 -2.480 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.396 0.563 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.522 2.092 -2.865 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.963 0.907 0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.644 2.652 2.316 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.728 3.960 -2.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.258 5.073 2.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.859 5.953 -1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.626 6.521 0.906 1.00 0.00 H new ATOM 1041 N LEU A 60 -7.955 -0.515 -4.141 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.126 -1.147 -5.475 1.00 0.00 C ATOM 1043 C LEU A 60 -9.623 -1.396 -5.719 1.00 0.00 C ATOM 1044 O LEU A 60 -10.066 -1.537 -6.842 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.357 -2.466 -5.396 1.00 0.00 C ATOM 1046 CG LEU A 60 -5.866 -2.201 -5.613 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.061 -2.876 -4.501 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -5.438 -2.769 -6.968 1.00 0.00 C ATOM 0 H LEU A 60 -7.321 -0.998 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.758 -0.527 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.516 -2.935 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.727 -3.161 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.682 -1.127 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.999 -2.688 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.365 -2.472 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.245 -3.950 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.376 -2.580 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.622 -3.843 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.011 -2.289 -7.761 1.00 0.00 H new ATOM 1060 N SER A 61 -10.408 -1.443 -4.664 1.00 0.00 N ATOM 1061 CA SER A 61 -11.870 -1.672 -4.824 1.00 0.00 C ATOM 1062 C SER A 61 -12.589 -0.365 -5.188 1.00 0.00 C ATOM 1063 O SER A 61 -13.655 -0.379 -5.769 1.00 0.00 O ATOM 1064 CB SER A 61 -12.347 -2.186 -3.466 1.00 0.00 C ATOM 1065 OG SER A 61 -13.736 -2.477 -3.535 1.00 0.00 O ATOM 0 H SER A 61 -10.092 -1.332 -3.701 1.00 0.00 H new ATOM 0 HA SER A 61 -12.083 -2.379 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.790 -3.080 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.158 -1.439 -2.695 1.00 0.00 H new ATOM 0 HG SER A 61 -14.044 -2.808 -2.666 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.015 0.766 -4.861 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.672 2.054 -5.203 1.00 0.00 C ATOM 1073 C VAL A 62 -12.044 2.622 -6.471 1.00 0.00 C ATOM 1074 O VAL A 62 -11.937 3.819 -6.651 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.406 2.992 -4.024 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.043 2.446 -2.747 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -10.902 3.121 -3.813 1.00 0.00 C ATOM 0 H VAL A 62 -11.123 0.848 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.741 1.931 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.841 3.966 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.842 3.127 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.120 2.354 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.622 1.467 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.708 3.789 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.479 2.139 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.442 3.527 -4.714 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.632 1.761 -7.350 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.007 2.223 -8.620 1.00 0.00 C ATOM 1089 C GLY A 63 -9.653 2.876 -8.330 1.00 0.00 C ATOM 1090 O GLY A 63 -9.223 3.766 -9.034 1.00 0.00 O ATOM 0 H GLY A 63 -11.700 0.749 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.876 1.380 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.664 2.935 -9.120 1.00 0.00 H new ATOM 1094 N ALA A 64 -8.972 2.443 -7.303 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.648 3.049 -6.992 1.00 0.00 C ATOM 1096 C ALA A 64 -6.595 2.519 -7.966 1.00 0.00 C ATOM 1097 O ALA A 64 -6.357 1.330 -8.053 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.321 2.622 -5.562 1.00 0.00 C ATOM 0 H ALA A 64 -9.273 1.701 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.662 4.135 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.356 3.036 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.093 2.991 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.281 1.534 -5.507 1.00 0.00 H new ATOM 1104 N GLN A 65 -5.965 3.389 -8.704 1.00 0.00 N ATOM 1105 CA GLN A 65 -4.934 2.927 -9.675 1.00 0.00 C ATOM 1106 C GLN A 65 -3.541 2.937 -9.025 1.00 0.00 C ATOM 1107 O GLN A 65 -3.036 3.983 -8.664 1.00 0.00 O ATOM 1108 CB GLN A 65 -4.995 3.934 -10.824 1.00 0.00 C ATOM 1109 CG GLN A 65 -4.930 3.187 -12.160 1.00 0.00 C ATOM 1110 CD GLN A 65 -3.559 3.400 -12.804 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -2.652 2.617 -12.603 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.367 4.435 -13.575 1.00 0.00 N ATOM 0 H GLN A 65 -6.118 4.397 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.116 1.907 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.915 4.515 -10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.167 4.639 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.107 2.123 -12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.715 3.545 -12.826 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.128 5.093 -13.744 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.456 4.586 -14.008 1.00 0.00 H new ATOM 1121 N PRO A 66 -2.956 1.769 -8.896 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.610 1.667 -8.294 1.00 0.00 C ATOM 1123 C PRO A 66 -0.545 1.962 -9.357 1.00 0.00 C ATOM 1124 O PRO A 66 -0.601 1.454 -10.460 1.00 0.00 O ATOM 1125 CB PRO A 66 -1.536 0.215 -7.838 1.00 0.00 C ATOM 1126 CG PRO A 66 -2.491 -0.534 -8.718 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.484 0.455 -9.281 1.00 0.00 C ATOM 0 HA PRO A 66 -1.440 2.370 -7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.523 -0.176 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.813 0.119 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.954 -1.034 -9.524 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.006 -1.308 -8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.565 0.362 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.481 0.293 -8.871 1.00 0.00 H new ATOM 1135 N THR A 67 0.420 2.783 -9.043 1.00 0.00 N ATOM 1136 CA THR A 67 1.476 3.111 -10.047 1.00 0.00 C ATOM 1137 C THR A 67 2.101 1.830 -10.610 1.00 0.00 C ATOM 1138 O THR A 67 1.772 0.733 -10.196 1.00 0.00 O ATOM 1139 CB THR A 67 2.519 3.923 -9.277 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.550 4.326 -10.169 1.00 0.00 O ATOM 1141 CG2 THR A 67 3.114 3.067 -8.159 1.00 0.00 C ATOM 0 H THR A 67 0.524 3.241 -8.137 1.00 0.00 H new ATOM 0 HA THR A 67 1.074 3.663 -10.897 1.00 0.00 H new ATOM 0 HB THR A 67 2.047 4.804 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.220 4.848 -9.680 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.857 3.648 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.322 2.757 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.588 2.185 -8.589 1.00 0.00 H new ATOM 1149 N ASP A 68 3.006 1.960 -11.547 1.00 0.00 N ATOM 1150 CA ASP A 68 3.660 0.751 -12.138 1.00 0.00 C ATOM 1151 C ASP A 68 4.753 0.221 -11.202 1.00 0.00 C ATOM 1152 O ASP A 68 5.886 0.022 -11.597 1.00 0.00 O ATOM 1153 CB ASP A 68 4.268 1.236 -13.455 1.00 0.00 C ATOM 1154 CG ASP A 68 5.317 2.311 -13.169 1.00 0.00 C ATOM 1155 OD1 ASP A 68 4.945 3.471 -13.103 1.00 0.00 O ATOM 1156 OD2 ASP A 68 6.476 1.957 -13.021 1.00 0.00 O ATOM 0 H ASP A 68 3.321 2.852 -11.929 1.00 0.00 H new ATOM 0 HA ASP A 68 2.954 -0.066 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.724 0.401 -13.986 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.488 1.637 -14.102 1.00 0.00 H new ATOM 1161 N THR A 69 4.413 -0.007 -9.965 1.00 0.00 N ATOM 1162 CA THR A 69 5.396 -0.525 -8.971 1.00 0.00 C ATOM 1163 C THR A 69 4.627 -0.978 -7.738 1.00 0.00 C ATOM 1164 O THR A 69 4.656 -2.129 -7.354 1.00 0.00 O ATOM 1165 CB THR A 69 6.283 0.652 -8.597 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.537 1.464 -9.734 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.607 0.143 -8.021 1.00 0.00 C ATOM 0 H THR A 69 3.476 0.147 -9.593 1.00 0.00 H new ATOM 0 HA THR A 69 5.982 -1.356 -9.364 1.00 0.00 H new ATOM 0 HB THR A 69 5.767 1.251 -7.846 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.913 0.913 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.238 0.991 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.411 -0.456 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.116 -0.469 -8.765 1.00 0.00 H new ATOM 1175 N ALA A 70 3.910 -0.068 -7.136 1.00 0.00 N ATOM 1176 CA ALA A 70 3.103 -0.421 -5.949 1.00 0.00 C ATOM 1177 C ALA A 70 2.010 -1.380 -6.390 1.00 0.00 C ATOM 1178 O ALA A 70 1.496 -2.157 -5.611 1.00 0.00 O ATOM 1179 CB ALA A 70 2.507 0.898 -5.458 1.00 0.00 C ATOM 0 H ALA A 70 3.853 0.909 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 70 3.679 -0.903 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.893 0.714 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.311 1.588 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.891 1.334 -6.244 1.00 0.00 H new ATOM 1185 N ARG A 71 1.672 -1.354 -7.653 1.00 0.00 N ATOM 1186 CA ARG A 71 0.646 -2.283 -8.145 1.00 0.00 C ATOM 1187 C ARG A 71 1.220 -3.681 -8.047 1.00 0.00 C ATOM 1188 O ARG A 71 0.570 -4.612 -7.618 1.00 0.00 O ATOM 1189 CB ARG A 71 0.409 -1.895 -9.608 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.549 -2.899 -10.258 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.756 -2.526 -11.728 1.00 0.00 C ATOM 1192 NE ARG A 71 -2.230 -2.609 -11.947 1.00 0.00 N ATOM 1193 CZ ARG A 71 -2.773 -2.141 -13.047 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.038 -1.583 -13.976 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -4.064 -2.235 -13.218 1.00 0.00 N ATOM 0 H ARG A 71 2.068 -0.727 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.287 -2.245 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.008 -0.890 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.356 -1.878 -10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.143 -3.908 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.504 -2.899 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.382 -1.523 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.221 -3.209 -12.387 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.822 -3.034 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.029 -1.507 -13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.475 -1.224 -14.825 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.643 -2.670 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.493 -1.874 -14.070 1.00 0.00 H new ATOM 1209 N ARG A 72 2.462 -3.827 -8.425 1.00 0.00 N ATOM 1210 CA ARG A 72 3.092 -5.158 -8.341 1.00 0.00 C ATOM 1211 C ARG A 72 3.202 -5.577 -6.878 1.00 0.00 C ATOM 1212 O ARG A 72 3.142 -6.744 -6.548 1.00 0.00 O ATOM 1213 CB ARG A 72 4.472 -4.990 -8.972 1.00 0.00 C ATOM 1214 CG ARG A 72 4.478 -5.645 -10.352 1.00 0.00 C ATOM 1215 CD ARG A 72 4.797 -4.594 -11.419 1.00 0.00 C ATOM 1216 NE ARG A 72 5.647 -5.301 -12.420 1.00 0.00 N ATOM 1217 CZ ARG A 72 6.915 -5.542 -12.177 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.465 -5.180 -11.044 1.00 0.00 N ATOM 1219 NH2 ARG A 72 7.639 -6.150 -13.077 1.00 0.00 N ATOM 0 H ARG A 72 3.057 -3.081 -8.785 1.00 0.00 H new ATOM 0 HA ARG A 72 2.517 -5.930 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.719 -3.932 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.233 -5.445 -8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.218 -6.445 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.508 -6.100 -10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.886 -4.209 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.322 -3.742 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 72 5.238 -5.601 -13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.907 -4.704 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.451 -5.375 -10.871 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.219 -6.435 -13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.624 -6.340 -12.895 1.00 0.00 H new ATOM 1233 N LEU A 73 3.351 -4.627 -5.998 1.00 0.00 N ATOM 1234 CA LEU A 73 3.449 -4.963 -4.562 1.00 0.00 C ATOM 1235 C LEU A 73 2.056 -5.267 -4.035 1.00 0.00 C ATOM 1236 O LEU A 73 1.878 -6.096 -3.168 1.00 0.00 O ATOM 1237 CB LEU A 73 4.043 -3.730 -3.881 1.00 0.00 C ATOM 1238 CG LEU A 73 5.343 -3.339 -4.583 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.747 -1.926 -4.161 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.454 -4.318 -4.203 1.00 0.00 C ATOM 0 H LEU A 73 3.409 -3.633 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 73 4.072 -5.837 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.334 -2.903 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.234 -3.939 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 73 5.189 -3.370 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.674 -1.648 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.960 -1.225 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.895 -1.897 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.378 -4.033 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.607 -4.294 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.171 -5.326 -4.507 1.00 0.00 H new ATOM 1252 N LEU A 74 1.057 -4.632 -4.583 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.323 -4.933 -4.142 1.00 0.00 C ATOM 1254 C LEU A 74 -0.636 -6.356 -4.585 1.00 0.00 C ATOM 1255 O LEU A 74 -1.370 -7.081 -3.947 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.217 -3.924 -4.864 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.102 -2.563 -4.181 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.827 -1.506 -5.015 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.736 -2.635 -2.791 1.00 0.00 C ATOM 0 H LEU A 74 1.141 -3.923 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.468 -4.861 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.922 -3.844 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.253 -4.264 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.050 -2.293 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.743 -0.536 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.376 -1.452 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.879 -1.775 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.654 -1.664 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.787 -2.907 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.219 -3.386 -2.194 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.036 -6.766 -5.672 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.238 -8.143 -6.175 1.00 0.00 C ATOM 1273 C ARG A 75 0.638 -9.084 -5.357 1.00 0.00 C ATOM 1274 O ARG A 75 0.312 -10.234 -5.139 1.00 0.00 O ATOM 1275 CB ARG A 75 0.226 -8.098 -7.634 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.398 -9.255 -8.414 1.00 0.00 C ATOM 1277 CD ARG A 75 0.649 -9.863 -9.354 1.00 0.00 C ATOM 1278 NE ARG A 75 0.169 -11.248 -9.627 1.00 0.00 N ATOM 1279 CZ ARG A 75 0.321 -12.202 -8.739 1.00 0.00 C ATOM 1280 NH1 ARG A 75 0.886 -11.961 -7.582 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.099 -13.407 -9.010 1.00 0.00 N ATOM 0 H ARG A 75 0.592 -6.192 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.268 -8.491 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.058 -7.148 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.313 -8.161 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.768 -10.014 -7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.255 -8.901 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.734 -9.286 -10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.636 -9.872 -8.892 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.284 -11.457 -10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.215 -11.021 -7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.997 -12.713 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.542 -13.603 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.016 -14.153 -8.324 1.00 0.00 H new ATOM 1295 N GLN A 76 1.752 -8.585 -4.894 1.00 0.00 N ATOM 1296 CA GLN A 76 2.664 -9.413 -4.080 1.00 0.00 C ATOM 1297 C GLN A 76 2.120 -9.531 -2.670 1.00 0.00 C ATOM 1298 O GLN A 76 2.256 -10.542 -2.010 1.00 0.00 O ATOM 1299 CB GLN A 76 3.979 -8.652 -4.112 1.00 0.00 C ATOM 1300 CG GLN A 76 5.135 -9.603 -3.818 1.00 0.00 C ATOM 1301 CD GLN A 76 5.304 -10.578 -4.985 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.427 -11.769 -4.783 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.316 -10.119 -6.207 1.00 0.00 N ATOM 0 H GLN A 76 2.066 -7.627 -5.051 1.00 0.00 H new ATOM 0 HA GLN A 76 2.779 -10.432 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.117 -8.188 -5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.962 -7.848 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.055 -9.038 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.942 -10.152 -2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.213 -9.119 -6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.429 -10.761 -6.992 1.00 0.00 H new ATOM 1312 N ALA A 77 1.480 -8.504 -2.223 1.00 0.00 N ATOM 1313 CA ALA A 77 0.882 -8.529 -0.868 1.00 0.00 C ATOM 1314 C ALA A 77 -0.210 -9.606 -0.794 1.00 0.00 C ATOM 1315 O ALA A 77 -0.675 -9.957 0.272 1.00 0.00 O ATOM 1316 CB ALA A 77 0.276 -7.140 -0.677 1.00 0.00 C ATOM 0 H ALA A 77 1.341 -7.636 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 77 1.615 -8.763 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.188 -7.078 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.060 -6.387 -0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.477 -6.963 -1.445 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.626 -10.130 -1.921 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.686 -11.179 -1.911 1.00 0.00 C ATOM 1324 C GLY A 78 -3.057 -10.537 -2.143 1.00 0.00 C ATOM 1325 O GLY A 78 -4.069 -11.041 -1.698 1.00 0.00 O ATOM 0 H GLY A 78 -0.276 -9.875 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.485 -11.919 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.679 -11.707 -0.957 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.102 -9.427 -2.833 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.407 -8.758 -3.084 1.00 0.00 C ATOM 1331 C VAL A 79 -5.060 -9.315 -4.353 1.00 0.00 C ATOM 1332 O VAL A 79 -6.131 -9.887 -4.314 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.083 -7.278 -3.259 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.381 -6.479 -3.371 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.280 -6.770 -2.055 1.00 0.00 C ATOM 0 H VAL A 79 -2.290 -8.957 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.108 -8.924 -2.266 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.492 -7.150 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.148 -5.422 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.951 -6.829 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.972 -6.616 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.053 -5.712 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.865 -6.903 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.350 -7.333 -1.974 1.00 0.00 H new