USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 Set 1.1: A 40 SER OG : rot 106:sc= 0.0554 USER MOD Set 1.2: A 43 GLN : amide:sc= 0.00117 X(o=0.057,f=-0.054) USER MOD Single : A 1 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.12) USER MOD Single : A 1 GLN N :NH3+ 152:sc= 0.00657 (180deg=-0.582) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 80:sc= -1.15 USER MOD Single : A 30 ASN : amide:sc= 1.03 K(o=1,f=0.017) USER MOD Single : A 35 SER OG : rot 180:sc= -0.103 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -140:sc= 0.458 USER MOD Single : A 56 HIS : no HE2:sc= 0.268 K(o=0.27,f=-1.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -13.958 -35.784 -0.922 1.00 0.00 N ATOM 2 CA GLN A 1 -13.829 -36.927 -1.880 1.00 0.00 C ATOM 3 C GLN A 1 -12.457 -36.908 -2.566 1.00 0.00 C ATOM 4 O GLN A 1 -11.699 -35.965 -2.438 1.00 0.00 O ATOM 5 CB GLN A 1 -14.950 -36.742 -2.915 1.00 0.00 C ATOM 6 CG GLN A 1 -14.824 -35.376 -3.605 1.00 0.00 C ATOM 7 CD GLN A 1 -15.911 -34.432 -3.082 1.00 0.00 C ATOM 8 OE1 GLN A 1 -17.085 -34.726 -3.180 1.00 0.00 O ATOM 9 NE2 GLN A 1 -15.568 -33.301 -2.526 1.00 0.00 N ATOM 0 H1 GLN A 1 -14.959 -35.518 -0.832 1.00 0.00 H new ATOM 0 H2 GLN A 1 -13.590 -36.068 0.009 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.414 -34.971 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 1 -13.913 -37.885 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -14.902 -37.538 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -15.921 -36.821 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -13.838 -34.952 -3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -14.919 -35.493 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -14.582 -33.052 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -16.286 -32.667 -2.175 1.00 0.00 H new ATOM 20 N VAL A 2 -12.143 -37.950 -3.294 1.00 0.00 N ATOM 21 CA VAL A 2 -10.824 -38.017 -4.000 1.00 0.00 C ATOM 22 C VAL A 2 -10.870 -39.067 -5.122 1.00 0.00 C ATOM 23 O VAL A 2 -11.583 -40.050 -5.035 1.00 0.00 O ATOM 24 CB VAL A 2 -9.803 -38.408 -2.917 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.140 -39.790 -2.346 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.397 -38.439 -3.522 1.00 0.00 C ATOM 0 H VAL A 2 -12.745 -38.762 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.562 -37.070 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.842 -37.671 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.410 -40.055 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.137 -39.768 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.113 -40.530 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.676 -38.716 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.365 -39.170 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.148 -37.453 -3.914 1.00 0.00 H new ATOM 36 N TYR A 3 -10.115 -38.861 -6.173 1.00 0.00 N ATOM 37 CA TYR A 3 -10.109 -39.839 -7.305 1.00 0.00 C ATOM 38 C TYR A 3 -8.686 -40.342 -7.567 1.00 0.00 C ATOM 39 O TYR A 3 -7.723 -39.796 -7.058 1.00 0.00 O ATOM 40 CB TYR A 3 -10.638 -39.059 -8.511 1.00 0.00 C ATOM 41 CG TYR A 3 -12.145 -38.976 -8.435 1.00 0.00 C ATOM 42 CD1 TYR A 3 -12.930 -40.004 -8.971 1.00 0.00 C ATOM 43 CD2 TYR A 3 -12.755 -37.874 -7.824 1.00 0.00 C ATOM 44 CE1 TYR A 3 -14.326 -39.929 -8.896 1.00 0.00 C ATOM 45 CE2 TYR A 3 -14.149 -37.800 -7.748 1.00 0.00 C ATOM 46 CZ TYR A 3 -14.935 -38.827 -8.283 1.00 0.00 C ATOM 47 OH TYR A 3 -16.309 -38.755 -8.206 1.00 0.00 O ATOM 0 H TYR A 3 -9.501 -38.056 -6.296 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.718 -40.717 -7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.208 -38.057 -8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.336 -39.550 -9.436 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.459 -40.854 -9.442 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.149 -37.081 -7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.933 -40.720 -9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -14.620 -36.950 -7.276 1.00 0.00 H new ATOM 0 HH TYR A 3 -16.568 -37.927 -7.750 1.00 0.00 H new ATOM 57 N LYS A 4 -8.552 -41.383 -8.357 1.00 0.00 N ATOM 58 CA LYS A 4 -7.200 -41.949 -8.668 1.00 0.00 C ATOM 59 C LYS A 4 -6.476 -42.329 -7.369 1.00 0.00 C ATOM 60 O LYS A 4 -5.553 -41.661 -6.938 1.00 0.00 O ATOM 61 CB LYS A 4 -6.456 -40.836 -9.418 1.00 0.00 C ATOM 62 CG LYS A 4 -5.260 -41.431 -10.165 1.00 0.00 C ATOM 63 CD LYS A 4 -4.721 -40.405 -11.166 1.00 0.00 C ATOM 64 CE LYS A 4 -3.314 -40.815 -11.611 1.00 0.00 C ATOM 65 NZ LYS A 4 -2.383 -40.045 -10.736 1.00 0.00 N ATOM 0 H LYS A 4 -9.330 -41.869 -8.803 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.258 -42.857 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.129 -40.345 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.117 -40.074 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.479 -41.710 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.559 -42.341 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.383 -40.341 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.696 -39.415 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.163 -41.888 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.150 -40.580 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.400 -40.277 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.543 -39.026 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.555 -40.294 -9.741 1.00 0.00 H new ATOM 79 N GLY A 5 -6.897 -43.400 -6.745 1.00 0.00 N ATOM 80 CA GLY A 5 -6.254 -43.840 -5.474 1.00 0.00 C ATOM 81 C GLY A 5 -7.331 -44.315 -4.494 1.00 0.00 C ATOM 82 O GLY A 5 -8.008 -43.518 -3.871 1.00 0.00 O ATOM 0 H GLY A 5 -7.664 -43.991 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.547 -44.645 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.687 -43.018 -5.037 1.00 0.00 H new ATOM 86 N GLY A 6 -7.493 -45.609 -4.353 1.00 0.00 N ATOM 87 CA GLY A 6 -8.522 -46.143 -3.412 1.00 0.00 C ATOM 88 C GLY A 6 -9.852 -46.340 -4.150 1.00 0.00 C ATOM 89 O GLY A 6 -10.193 -45.588 -5.045 1.00 0.00 O ATOM 0 H GLY A 6 -6.955 -46.318 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -8.186 -47.091 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.657 -45.454 -2.578 1.00 0.00 H new ATOM 93 N TYR A 7 -10.605 -47.344 -3.779 1.00 0.00 N ATOM 94 CA TYR A 7 -11.913 -47.595 -4.456 1.00 0.00 C ATOM 95 C TYR A 7 -13.071 -47.177 -3.541 1.00 0.00 C ATOM 96 O TYR A 7 -13.283 -47.754 -2.490 1.00 0.00 O ATOM 97 CB TYR A 7 -11.948 -49.103 -4.720 1.00 0.00 C ATOM 98 CG TYR A 7 -11.025 -49.438 -5.869 1.00 0.00 C ATOM 99 CD1 TYR A 7 -11.511 -49.436 -7.183 1.00 0.00 C ATOM 100 CD2 TYR A 7 -9.682 -49.752 -5.622 1.00 0.00 C ATOM 101 CE1 TYR A 7 -10.655 -49.746 -8.247 1.00 0.00 C ATOM 102 CE2 TYR A 7 -8.827 -50.061 -6.685 1.00 0.00 C ATOM 103 CZ TYR A 7 -9.313 -50.058 -7.998 1.00 0.00 C ATOM 104 OH TYR A 7 -8.469 -50.363 -9.046 1.00 0.00 O ATOM 0 H TYR A 7 -10.370 -48.002 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 7 -12.016 -47.023 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.643 -49.646 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -12.965 -49.418 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -12.546 -49.195 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.306 -49.755 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.030 -49.744 -9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.792 -50.302 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.573 -50.554 -8.699 1.00 0.00 H new ATOM 114 N ALA A 8 -13.819 -46.173 -3.932 1.00 0.00 N ATOM 115 CA ALA A 8 -14.963 -45.710 -3.092 1.00 0.00 C ATOM 116 C ALA A 8 -16.175 -45.384 -3.972 1.00 0.00 C ATOM 117 O ALA A 8 -16.052 -44.747 -5.004 1.00 0.00 O ATOM 118 CB ALA A 8 -14.454 -44.449 -2.391 1.00 0.00 C ATOM 0 H ALA A 8 -13.684 -45.654 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.286 -46.471 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.239 -44.046 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.583 -44.697 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.176 -43.705 -3.137 1.00 0.00 H new ATOM 124 N ARG A 9 -17.346 -45.814 -3.571 1.00 0.00 N ATOM 125 CA ARG A 9 -18.571 -45.532 -4.379 1.00 0.00 C ATOM 126 C ARG A 9 -19.149 -44.158 -4.002 1.00 0.00 C ATOM 127 O ARG A 9 -19.289 -43.849 -2.834 1.00 0.00 O ATOM 128 CB ARG A 9 -19.557 -46.650 -4.022 1.00 0.00 C ATOM 129 CG ARG A 9 -20.691 -46.678 -5.051 1.00 0.00 C ATOM 130 CD ARG A 9 -21.518 -47.956 -4.870 1.00 0.00 C ATOM 131 NE ARG A 9 -22.606 -47.592 -3.914 1.00 0.00 N ATOM 132 CZ ARG A 9 -23.256 -48.528 -3.277 1.00 0.00 C ATOM 133 NH1 ARG A 9 -22.758 -49.038 -2.181 1.00 0.00 N ATOM 134 NH2 ARG A 9 -24.404 -48.953 -3.736 1.00 0.00 N ATOM 0 H ARG A 9 -17.506 -46.349 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.362 -45.506 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.043 -47.611 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.962 -46.487 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.327 -45.801 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.281 -46.638 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.928 -48.297 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.906 -48.768 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 9 -22.841 -46.612 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.862 -48.705 -1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.265 -49.769 -1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.791 -48.553 -4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -24.913 -49.684 -3.239 1.00 0.00 H new ATOM 148 N PRO A 10 -19.466 -43.379 -5.011 1.00 0.00 N ATOM 149 CA PRO A 10 -20.036 -42.024 -4.780 1.00 0.00 C ATOM 150 C PRO A 10 -21.488 -42.112 -4.287 1.00 0.00 C ATOM 151 O PRO A 10 -22.172 -43.094 -4.511 1.00 0.00 O ATOM 152 CB PRO A 10 -19.969 -41.367 -6.158 1.00 0.00 C ATOM 153 CG PRO A 10 -19.973 -42.504 -7.130 1.00 0.00 C ATOM 154 CD PRO A 10 -19.327 -43.679 -6.444 1.00 0.00 C ATOM 0 HA PRO A 10 -19.497 -41.465 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.820 -40.705 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.069 -40.761 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.991 -42.748 -7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.426 -42.239 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -19.822 -44.614 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.280 -43.781 -6.730 1.00 0.00 H new ATOM 162 N ILE A 11 -21.958 -41.088 -3.618 1.00 0.00 N ATOM 163 CA ILE A 11 -23.361 -41.094 -3.105 1.00 0.00 C ATOM 164 C ILE A 11 -24.353 -40.978 -4.274 1.00 0.00 C ATOM 165 O ILE A 11 -24.121 -40.235 -5.209 1.00 0.00 O ATOM 166 CB ILE A 11 -23.455 -39.866 -2.189 1.00 0.00 C ATOM 167 CG1 ILE A 11 -22.613 -40.101 -0.930 1.00 0.00 C ATOM 168 CG2 ILE A 11 -24.913 -39.624 -1.782 1.00 0.00 C ATOM 169 CD1 ILE A 11 -21.844 -38.824 -0.582 1.00 0.00 C ATOM 0 H ILE A 11 -21.426 -40.244 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 11 -23.605 -42.014 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 11 -23.082 -38.994 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -23.256 -40.388 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -21.917 -40.924 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -24.969 -38.751 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -25.516 -39.452 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.292 -40.497 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -21.246 -38.992 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -21.189 -38.556 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -22.549 -38.013 -0.400 1.00 0.00 H new ATOM 181 N PRO A 12 -25.432 -41.720 -4.176 1.00 0.00 N ATOM 182 CA PRO A 12 -26.477 -41.701 -5.234 1.00 0.00 C ATOM 183 C PRO A 12 -27.261 -40.379 -5.186 1.00 0.00 C ATOM 184 O PRO A 12 -28.359 -40.312 -4.663 1.00 0.00 O ATOM 185 CB PRO A 12 -27.367 -42.892 -4.879 1.00 0.00 C ATOM 186 CG PRO A 12 -27.170 -43.099 -3.411 1.00 0.00 C ATOM 187 CD PRO A 12 -25.774 -42.639 -3.082 1.00 0.00 C ATOM 0 HA PRO A 12 -26.074 -41.771 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -28.412 -42.687 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.083 -43.779 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.906 -42.533 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.301 -44.149 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.737 -42.138 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.079 -43.477 -3.034 1.00 0.00 H new ATOM 195 N ARG A 13 -26.694 -39.329 -5.725 1.00 0.00 N ATOM 196 CA ARG A 13 -27.382 -38.006 -5.718 1.00 0.00 C ATOM 197 C ARG A 13 -27.257 -37.343 -7.097 1.00 0.00 C ATOM 198 O ARG A 13 -26.241 -37.475 -7.756 1.00 0.00 O ATOM 199 CB ARG A 13 -26.644 -37.186 -4.654 1.00 0.00 C ATOM 200 CG ARG A 13 -27.403 -35.883 -4.385 1.00 0.00 C ATOM 201 CD ARG A 13 -26.751 -35.139 -3.216 1.00 0.00 C ATOM 202 NE ARG A 13 -27.840 -34.301 -2.637 1.00 0.00 N ATOM 203 CZ ARG A 13 -27.731 -32.998 -2.628 1.00 0.00 C ATOM 204 NH1 ARG A 13 -27.859 -32.325 -3.742 1.00 0.00 N ATOM 205 NH2 ARG A 13 -27.494 -32.371 -1.505 1.00 0.00 N ATOM 0 H ARG A 13 -25.777 -39.334 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 13 -28.447 -38.089 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -26.556 -37.763 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.631 -36.965 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -27.397 -35.256 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -28.446 -36.099 -4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -26.354 -35.835 -2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.917 -34.524 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 13 -28.671 -34.745 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -28.044 -32.817 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -27.774 -31.309 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -27.394 -32.898 -0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -27.409 -31.355 -1.497 1.00 0.00 H new ATOM 219 N PRO A 14 -28.297 -36.644 -7.489 1.00 0.00 N ATOM 220 CA PRO A 14 -28.297 -35.946 -8.801 1.00 0.00 C ATOM 221 C PRO A 14 -27.324 -34.757 -8.778 1.00 0.00 C ATOM 222 O PRO A 14 -27.178 -34.099 -7.763 1.00 0.00 O ATOM 223 CB PRO A 14 -29.742 -35.471 -8.954 1.00 0.00 C ATOM 224 CG PRO A 14 -30.263 -35.376 -7.556 1.00 0.00 C ATOM 225 CD PRO A 14 -29.555 -36.438 -6.759 1.00 0.00 C ATOM 0 HA PRO A 14 -27.974 -36.582 -9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -29.790 -34.507 -9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -30.328 -36.172 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -30.073 -34.387 -7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -31.342 -35.530 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -29.374 -36.115 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -30.141 -37.355 -6.705 1.00 0.00 H new ATOM 233 N PRO A 15 -26.683 -34.524 -9.900 1.00 0.00 N ATOM 234 CA PRO A 15 -25.708 -33.406 -10.007 1.00 0.00 C ATOM 235 C PRO A 15 -26.432 -32.049 -10.045 1.00 0.00 C ATOM 236 O PRO A 15 -27.526 -31.944 -10.569 1.00 0.00 O ATOM 237 CB PRO A 15 -24.994 -33.680 -11.329 1.00 0.00 C ATOM 238 CG PRO A 15 -25.961 -34.488 -12.134 1.00 0.00 C ATOM 239 CD PRO A 15 -26.803 -35.270 -11.162 1.00 0.00 C ATOM 0 HA PRO A 15 -25.025 -33.355 -9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -24.737 -32.751 -11.838 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -24.063 -34.224 -11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -26.585 -33.840 -12.750 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -25.432 -35.158 -12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -27.840 -35.330 -11.492 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -26.442 -36.293 -11.056 1.00 0.00 H new ATOM 247 N PRO A 16 -25.787 -31.050 -9.484 1.00 0.00 N ATOM 248 CA PRO A 16 -26.370 -29.684 -9.455 1.00 0.00 C ATOM 249 C PRO A 16 -26.226 -29.000 -10.823 1.00 0.00 C ATOM 250 O PRO A 16 -25.868 -29.621 -11.806 1.00 0.00 O ATOM 251 CB PRO A 16 -25.536 -28.965 -8.396 1.00 0.00 C ATOM 252 CG PRO A 16 -24.227 -29.689 -8.363 1.00 0.00 C ATOM 253 CD PRO A 16 -24.472 -31.102 -8.831 1.00 0.00 C ATOM 0 HA PRO A 16 -27.437 -29.680 -9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -25.398 -27.914 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -26.026 -28.995 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -23.500 -29.194 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -23.814 -29.686 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -23.697 -31.431 -9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -24.471 -31.803 -7.996 1.00 0.00 H new ATOM 261 N PHE A 17 -26.504 -27.721 -10.884 1.00 0.00 N ATOM 262 CA PHE A 17 -26.387 -26.978 -12.178 1.00 0.00 C ATOM 263 C PHE A 17 -24.920 -26.872 -12.608 1.00 0.00 C ATOM 264 O PHE A 17 -24.013 -27.149 -11.846 1.00 0.00 O ATOM 265 CB PHE A 17 -26.965 -25.586 -11.901 1.00 0.00 C ATOM 266 CG PHE A 17 -27.998 -25.248 -12.950 1.00 0.00 C ATOM 267 CD1 PHE A 17 -29.290 -25.780 -12.858 1.00 0.00 C ATOM 268 CD2 PHE A 17 -27.665 -24.402 -14.015 1.00 0.00 C ATOM 269 CE1 PHE A 17 -30.248 -25.467 -13.831 1.00 0.00 C ATOM 270 CE2 PHE A 17 -28.621 -24.089 -14.987 1.00 0.00 C ATOM 271 CZ PHE A 17 -29.914 -24.622 -14.895 1.00 0.00 C ATOM 0 H PHE A 17 -26.808 -27.157 -10.090 1.00 0.00 H new ATOM 0 HA PHE A 17 -26.916 -27.485 -12.984 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -27.417 -25.560 -10.909 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -26.168 -24.842 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -29.548 -26.432 -12.037 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -26.669 -23.991 -14.086 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -31.244 -25.878 -13.760 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -28.363 -23.437 -15.808 1.00 0.00 H new ATOM 0 HZ PHE A 17 -30.652 -24.381 -15.645 1.00 0.00 H new ATOM 281 N VAL A 18 -24.691 -26.472 -13.832 1.00 0.00 N ATOM 282 CA VAL A 18 -23.286 -26.340 -14.340 1.00 0.00 C ATOM 283 C VAL A 18 -22.536 -25.244 -13.570 1.00 0.00 C ATOM 284 O VAL A 18 -23.104 -24.237 -13.190 1.00 0.00 O ATOM 285 CB VAL A 18 -23.422 -25.961 -15.821 1.00 0.00 C ATOM 286 CG1 VAL A 18 -22.033 -25.720 -16.422 1.00 0.00 C ATOM 287 CG2 VAL A 18 -24.111 -27.096 -16.585 1.00 0.00 C ATOM 0 H VAL A 18 -25.417 -26.230 -14.506 1.00 0.00 H new ATOM 0 HA VAL A 18 -22.719 -27.262 -14.208 1.00 0.00 H new ATOM 0 HB VAL A 18 -24.018 -25.052 -15.902 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -22.133 -25.451 -17.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -21.540 -24.909 -15.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -21.436 -26.628 -16.335 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.205 -26.822 -17.636 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.517 -28.006 -16.499 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -25.102 -27.269 -16.165 1.00 0.00 H new ATOM 297 N ARG A 19 -21.260 -25.438 -13.346 1.00 0.00 N ATOM 298 CA ARG A 19 -20.453 -24.421 -12.606 1.00 0.00 C ATOM 299 C ARG A 19 -19.668 -23.546 -13.596 1.00 0.00 C ATOM 300 O ARG A 19 -18.899 -24.053 -14.392 1.00 0.00 O ATOM 301 CB ARG A 19 -19.498 -25.239 -11.727 1.00 0.00 C ATOM 302 CG ARG A 19 -18.486 -24.311 -11.044 1.00 0.00 C ATOM 303 CD ARG A 19 -19.087 -23.747 -9.752 1.00 0.00 C ATOM 304 NE ARG A 19 -18.501 -22.380 -9.614 1.00 0.00 N ATOM 305 CZ ARG A 19 -17.227 -22.234 -9.358 1.00 0.00 C ATOM 306 NH1 ARG A 19 -16.790 -22.345 -8.131 1.00 0.00 N ATOM 307 NH2 ARG A 19 -16.393 -21.975 -10.331 1.00 0.00 N ATOM 0 H ARG A 19 -20.740 -26.263 -13.646 1.00 0.00 H new ATOM 0 HA ARG A 19 -21.073 -23.748 -12.014 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -20.064 -25.789 -10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.974 -25.977 -12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -17.570 -24.858 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.215 -23.496 -11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.175 -23.706 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.836 -24.372 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.096 -21.558 -9.720 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.443 -22.546 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.796 -22.231 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.737 -21.887 -11.287 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.399 -21.861 -10.134 1.00 0.00 H new ATOM 321 N PRO A 20 -19.883 -22.253 -13.511 1.00 0.00 N ATOM 322 CA PRO A 20 -19.181 -21.305 -14.409 1.00 0.00 C ATOM 323 C PRO A 20 -17.701 -21.201 -14.027 1.00 0.00 C ATOM 324 O PRO A 20 -17.308 -21.519 -12.918 1.00 0.00 O ATOM 325 CB PRO A 20 -19.901 -19.980 -14.172 1.00 0.00 C ATOM 326 CG PRO A 20 -20.486 -20.101 -12.803 1.00 0.00 C ATOM 327 CD PRO A 20 -20.785 -21.560 -12.584 1.00 0.00 C ATOM 0 HA PRO A 20 -19.203 -21.612 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.211 -19.139 -14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -20.676 -19.812 -14.920 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -19.789 -19.732 -12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -21.393 -19.503 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -20.598 -21.855 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.829 -21.789 -12.797 1.00 0.00 H new ATOM 335 N LEU A 21 -16.883 -20.756 -14.941 1.00 0.00 N ATOM 336 CA LEU A 21 -15.424 -20.626 -14.651 1.00 0.00 C ATOM 337 C LEU A 21 -15.039 -19.146 -14.517 1.00 0.00 C ATOM 338 O LEU A 21 -14.976 -18.431 -15.499 1.00 0.00 O ATOM 339 CB LEU A 21 -14.718 -21.268 -15.853 1.00 0.00 C ATOM 340 CG LEU A 21 -13.404 -21.926 -15.410 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.413 -20.851 -14.951 1.00 0.00 C ATOM 342 CD2 LEU A 21 -13.672 -22.901 -14.256 1.00 0.00 C ATOM 0 H LEU A 21 -17.162 -20.475 -15.881 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.144 -21.109 -13.715 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.369 -22.013 -16.311 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.516 -20.512 -16.611 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.980 -22.472 -16.253 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.482 -21.324 -14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.212 -20.166 -15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.838 -20.298 -14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.735 -23.365 -13.946 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.104 -22.359 -13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.367 -23.673 -14.586 1.00 0.00 H new ATOM 354 N PRO A 22 -14.792 -18.733 -13.293 1.00 0.00 N ATOM 355 CA PRO A 22 -14.406 -17.322 -13.023 1.00 0.00 C ATOM 356 C PRO A 22 -12.968 -17.058 -13.492 1.00 0.00 C ATOM 357 O PRO A 22 -12.094 -17.892 -13.344 1.00 0.00 O ATOM 358 CB PRO A 22 -14.519 -17.204 -11.504 1.00 0.00 C ATOM 359 CG PRO A 22 -14.346 -18.598 -10.991 1.00 0.00 C ATOM 360 CD PRO A 22 -14.850 -19.531 -12.060 1.00 0.00 C ATOM 0 HA PRO A 22 -15.030 -16.599 -13.548 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.755 -16.538 -11.102 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.485 -16.793 -11.211 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.298 -18.799 -10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.902 -18.739 -10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.229 -20.424 -12.134 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.866 -19.866 -11.850 1.00 0.00 H new ATOM 368 N GLY A 23 -12.721 -15.902 -14.060 1.00 0.00 N ATOM 369 CA GLY A 23 -11.345 -15.575 -14.545 1.00 0.00 C ATOM 370 C GLY A 23 -10.444 -15.198 -13.364 1.00 0.00 C ATOM 371 O GLY A 23 -9.294 -15.591 -13.305 1.00 0.00 O ATOM 0 H GLY A 23 -13.416 -15.170 -14.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.925 -16.431 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.389 -14.750 -15.257 1.00 0.00 H new ATOM 375 N GLY A 24 -10.952 -14.435 -12.426 1.00 0.00 N ATOM 376 CA GLY A 24 -10.121 -14.031 -11.252 1.00 0.00 C ATOM 377 C GLY A 24 -9.370 -12.735 -11.581 1.00 0.00 C ATOM 378 O GLY A 24 -8.380 -12.761 -12.286 1.00 0.00 O ATOM 0 H GLY A 24 -11.907 -14.075 -12.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.755 -13.885 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.413 -14.822 -11.004 1.00 0.00 H new ATOM 382 N PRO A 25 -9.868 -11.638 -11.058 1.00 0.00 N ATOM 383 CA PRO A 25 -9.231 -10.319 -11.308 1.00 0.00 C ATOM 384 C PRO A 25 -7.907 -10.201 -10.538 1.00 0.00 C ATOM 385 O PRO A 25 -7.884 -10.194 -9.320 1.00 0.00 O ATOM 386 CB PRO A 25 -10.261 -9.317 -10.791 1.00 0.00 C ATOM 387 CG PRO A 25 -11.065 -10.072 -9.781 1.00 0.00 C ATOM 388 CD PRO A 25 -11.056 -11.520 -10.200 1.00 0.00 C ATOM 0 HA PRO A 25 -8.980 -10.158 -12.356 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.777 -8.450 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.891 -8.946 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.638 -9.957 -8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.085 -9.690 -9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.993 -12.184 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.965 -11.784 -10.740 1.00 0.00 H new ATOM 396 N ILE A 26 -6.808 -10.108 -11.246 1.00 0.00 N ATOM 397 CA ILE A 26 -5.479 -9.988 -10.573 1.00 0.00 C ATOM 398 C ILE A 26 -5.317 -8.585 -9.968 1.00 0.00 C ATOM 399 O ILE A 26 -6.065 -7.676 -10.279 1.00 0.00 O ATOM 400 CB ILE A 26 -4.445 -10.242 -11.683 1.00 0.00 C ATOM 401 CG1 ILE A 26 -3.061 -10.439 -11.059 1.00 0.00 C ATOM 402 CG2 ILE A 26 -4.402 -9.051 -12.649 1.00 0.00 C ATOM 403 CD1 ILE A 26 -2.144 -11.153 -12.055 1.00 0.00 C ATOM 0 H ILE A 26 -6.775 -10.110 -12.265 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.361 -10.694 -9.751 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.731 -11.138 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.635 -9.474 -10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.144 -11.023 -10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.666 -9.243 -13.430 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.384 -8.914 -13.101 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.125 -8.149 -12.103 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.160 -11.292 -11.608 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.568 -12.125 -12.308 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.050 -10.552 -12.959 1.00 0.00 H new ATOM 415 N GLY A 27 -4.346 -8.404 -9.105 1.00 0.00 N ATOM 416 CA GLY A 27 -4.138 -7.064 -8.478 1.00 0.00 C ATOM 417 C GLY A 27 -4.908 -6.981 -7.156 1.00 0.00 C ATOM 418 O GLY A 27 -5.463 -7.960 -6.694 1.00 0.00 O ATOM 0 H GLY A 27 -3.690 -9.127 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.076 -6.897 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.476 -6.280 -9.155 1.00 0.00 H new ATOM 422 N PRO A 28 -4.916 -5.796 -6.592 1.00 0.00 N ATOM 423 CA PRO A 28 -5.625 -5.550 -5.301 1.00 0.00 C ATOM 424 C PRO A 28 -7.153 -5.671 -5.457 1.00 0.00 C ATOM 425 O PRO A 28 -7.875 -5.700 -4.478 1.00 0.00 O ATOM 426 CB PRO A 28 -5.226 -4.117 -4.949 1.00 0.00 C ATOM 427 CG PRO A 28 -4.872 -3.489 -6.259 1.00 0.00 C ATOM 428 CD PRO A 28 -4.268 -4.581 -7.098 1.00 0.00 C ATOM 0 HA PRO A 28 -5.358 -6.275 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.045 -3.586 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.382 -4.099 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.755 -3.071 -6.742 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.167 -2.670 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.469 -4.430 -8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.185 -4.625 -6.982 1.00 0.00 H new ATOM 436 N TYR A 29 -7.651 -5.739 -6.671 1.00 0.00 N ATOM 437 CA TYR A 29 -9.127 -5.854 -6.880 1.00 0.00 C ATOM 438 C TYR A 29 -9.575 -7.317 -6.722 1.00 0.00 C ATOM 439 O TYR A 29 -10.055 -7.935 -7.655 1.00 0.00 O ATOM 440 CB TYR A 29 -9.356 -5.370 -8.316 1.00 0.00 C ATOM 441 CG TYR A 29 -10.716 -4.722 -8.430 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.838 -5.495 -8.748 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.849 -3.342 -8.232 1.00 0.00 C ATOM 444 CE1 TYR A 29 -13.095 -4.890 -8.864 1.00 0.00 C ATOM 445 CE2 TYR A 29 -12.104 -2.735 -8.351 1.00 0.00 C ATOM 446 CZ TYR A 29 -13.229 -3.510 -8.666 1.00 0.00 C ATOM 447 OH TYR A 29 -14.470 -2.913 -8.781 1.00 0.00 O ATOM 0 H TYR A 29 -7.095 -5.720 -7.526 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.697 -5.272 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.580 -4.658 -8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.284 -6.209 -9.008 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.734 -6.559 -8.904 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.982 -2.746 -7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.962 -5.487 -9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.206 -1.670 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.980 -3.057 -7.957 1.00 0.00 H new ATOM 457 N ASN A 30 -9.417 -7.878 -5.548 1.00 0.00 N ATOM 458 CA ASN A 30 -9.827 -9.299 -5.330 1.00 0.00 C ATOM 459 C ASN A 30 -10.706 -9.440 -4.077 1.00 0.00 C ATOM 460 O ASN A 30 -10.622 -10.419 -3.359 1.00 0.00 O ATOM 461 CB ASN A 30 -8.514 -10.078 -5.171 1.00 0.00 C ATOM 462 CG ASN A 30 -7.678 -9.490 -4.027 1.00 0.00 C ATOM 463 OD1 ASN A 30 -7.905 -9.795 -2.872 1.00 0.00 O ATOM 464 ND2 ASN A 30 -6.711 -8.658 -4.300 1.00 0.00 N ATOM 0 H ASN A 30 -9.021 -7.412 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.425 -9.676 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.729 -11.128 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.947 -10.040 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.148 -8.265 -3.546 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.518 -8.400 -5.268 1.00 0.00 H new ATOM 471 N GLY A 31 -11.556 -8.477 -3.815 1.00 0.00 N ATOM 472 CA GLY A 31 -12.441 -8.567 -2.615 1.00 0.00 C ATOM 473 C GLY A 31 -13.216 -7.257 -2.418 1.00 0.00 C ATOM 474 O GLY A 31 -13.292 -6.737 -1.320 1.00 0.00 O ATOM 0 H GLY A 31 -11.674 -7.636 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.140 -9.395 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.842 -8.779 -1.729 1.00 0.00 H new ATOM 478 N CYS A 32 -13.797 -6.722 -3.466 1.00 0.00 N ATOM 479 CA CYS A 32 -14.570 -5.448 -3.332 1.00 0.00 C ATOM 480 C CYS A 32 -15.372 -5.177 -4.613 1.00 0.00 C ATOM 481 O CYS A 32 -14.949 -4.416 -5.465 1.00 0.00 O ATOM 482 CB CYS A 32 -13.516 -4.363 -3.109 1.00 0.00 C ATOM 483 SG CYS A 32 -14.287 -2.941 -2.303 1.00 0.00 S ATOM 0 H CYS A 32 -13.769 -7.113 -4.408 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.289 -5.484 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.704 -4.749 -2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -13.078 -4.063 -4.061 1.00 0.00 H new ATOM 488 N PRO A 33 -16.513 -5.817 -4.702 1.00 0.00 N ATOM 489 CA PRO A 33 -17.403 -5.654 -5.887 1.00 0.00 C ATOM 490 C PRO A 33 -17.953 -4.222 -5.972 1.00 0.00 C ATOM 491 O PRO A 33 -18.092 -3.538 -4.974 1.00 0.00 O ATOM 492 CB PRO A 33 -18.524 -6.664 -5.628 1.00 0.00 C ATOM 493 CG PRO A 33 -18.519 -6.863 -4.148 1.00 0.00 C ATOM 494 CD PRO A 33 -17.084 -6.746 -3.717 1.00 0.00 C ATOM 0 HA PRO A 33 -16.889 -5.824 -6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.486 -6.285 -5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.342 -7.601 -6.154 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.137 -6.115 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.927 -7.839 -3.885 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.999 -6.359 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.578 -7.712 -3.734 1.00 0.00 H new ATOM 502 N VAL A 34 -18.270 -3.768 -7.162 1.00 0.00 N ATOM 503 CA VAL A 34 -18.818 -2.383 -7.328 1.00 0.00 C ATOM 504 C VAL A 34 -20.220 -2.286 -6.710 1.00 0.00 C ATOM 505 O VAL A 34 -20.620 -1.243 -6.229 1.00 0.00 O ATOM 506 CB VAL A 34 -18.879 -2.150 -8.844 1.00 0.00 C ATOM 507 CG1 VAL A 34 -19.682 -0.880 -9.143 1.00 0.00 C ATOM 508 CG2 VAL A 34 -17.460 -1.987 -9.393 1.00 0.00 C ATOM 0 H VAL A 34 -18.173 -4.298 -8.028 1.00 0.00 H new ATOM 0 HA VAL A 34 -18.200 -1.637 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 34 -19.362 -3.005 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -19.722 -0.720 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.695 -0.990 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -19.202 -0.025 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.503 -1.822 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.980 -1.134 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.884 -2.890 -9.187 1.00 0.00 H new ATOM 518 N SER A 35 -20.969 -3.365 -6.724 1.00 0.00 N ATOM 519 CA SER A 35 -22.346 -3.342 -6.140 1.00 0.00 C ATOM 520 C SER A 35 -22.302 -3.187 -4.611 1.00 0.00 C ATOM 521 O SER A 35 -23.300 -2.865 -3.994 1.00 0.00 O ATOM 522 CB SER A 35 -22.961 -4.692 -6.521 1.00 0.00 C ATOM 523 OG SER A 35 -24.358 -4.669 -6.252 1.00 0.00 O ATOM 0 H SER A 35 -20.683 -4.262 -7.116 1.00 0.00 H new ATOM 0 HA SER A 35 -22.926 -2.499 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.786 -4.898 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.484 -5.493 -5.957 1.00 0.00 H new ATOM 0 HG SER A 35 -24.753 -5.532 -6.497 1.00 0.00 H new ATOM 529 N CYS A 36 -21.159 -3.418 -3.995 1.00 0.00 N ATOM 530 CA CYS A 36 -21.047 -3.291 -2.504 1.00 0.00 C ATOM 531 C CYS A 36 -22.055 -4.214 -1.801 1.00 0.00 C ATOM 532 O CYS A 36 -22.526 -3.921 -0.717 1.00 0.00 O ATOM 533 CB CYS A 36 -21.343 -1.820 -2.195 1.00 0.00 C ATOM 534 SG CYS A 36 -20.111 -0.776 -3.011 1.00 0.00 S ATOM 0 H CYS A 36 -20.296 -3.690 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.060 -3.585 -2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.343 -1.559 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.323 -1.652 -1.118 1.00 0.00 H new ATOM 539 N ARG A 37 -22.384 -5.329 -2.409 1.00 0.00 N ATOM 540 CA ARG A 37 -23.355 -6.273 -1.774 1.00 0.00 C ATOM 541 C ARG A 37 -22.615 -7.459 -1.144 1.00 0.00 C ATOM 542 O ARG A 37 -21.541 -7.836 -1.576 1.00 0.00 O ATOM 543 CB ARG A 37 -24.258 -6.752 -2.913 1.00 0.00 C ATOM 544 CG ARG A 37 -25.287 -5.669 -3.244 1.00 0.00 C ATOM 545 CD ARG A 37 -26.453 -6.292 -4.014 1.00 0.00 C ATOM 546 NE ARG A 37 -27.189 -5.137 -4.601 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.480 -5.033 -4.437 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.957 -4.421 -3.384 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.293 -5.541 -5.327 1.00 0.00 N ATOM 0 H ARG A 37 -22.022 -5.625 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.924 -5.794 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.658 -6.979 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -24.765 -7.673 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.650 -5.204 -2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.824 -4.882 -3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.096 -6.969 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.095 -6.875 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.684 -4.427 -5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.320 -4.026 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.965 -4.339 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.918 -6.017 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -30.302 -5.461 -5.201 1.00 0.00 H new ATOM 563 N GLY A 38 -23.190 -8.051 -0.127 1.00 0.00 N ATOM 564 CA GLY A 38 -22.537 -9.221 0.540 1.00 0.00 C ATOM 565 C GLY A 38 -21.430 -8.755 1.501 1.00 0.00 C ATOM 566 O GLY A 38 -20.589 -9.539 1.902 1.00 0.00 O ATOM 0 H GLY A 38 -24.087 -7.774 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.283 -9.795 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.114 -9.886 -0.214 1.00 0.00 H new ATOM 570 N ILE A 39 -21.421 -7.498 1.882 1.00 0.00 N ATOM 571 CA ILE A 39 -20.367 -7.007 2.823 1.00 0.00 C ATOM 572 C ILE A 39 -21.001 -6.175 3.941 1.00 0.00 C ATOM 573 O ILE A 39 -22.106 -5.679 3.812 1.00 0.00 O ATOM 574 CB ILE A 39 -19.406 -6.147 1.986 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.138 -4.911 1.445 1.00 0.00 C ATOM 576 CG2 ILE A 39 -18.858 -6.973 0.817 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.194 -4.101 0.551 1.00 0.00 C ATOM 0 H ILE A 39 -22.096 -6.795 1.582 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.839 -7.835 3.297 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.580 -5.822 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.018 -5.217 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.490 -4.294 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.177 -6.360 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.323 -7.840 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.684 -7.307 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.717 -3.225 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.328 -3.782 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.864 -4.719 -0.284 1.00 0.00 H new ATOM 589 N SER A 40 -20.305 -6.021 5.033 1.00 0.00 N ATOM 590 CA SER A 40 -20.847 -5.222 6.167 1.00 0.00 C ATOM 591 C SER A 40 -20.616 -3.732 5.905 1.00 0.00 C ATOM 592 O SER A 40 -19.788 -3.361 5.094 1.00 0.00 O ATOM 593 CB SER A 40 -20.059 -5.674 7.403 1.00 0.00 C ATOM 594 OG SER A 40 -19.614 -7.017 7.231 1.00 0.00 O ATOM 0 H SER A 40 -19.378 -6.417 5.189 1.00 0.00 H new ATOM 0 HA SER A 40 -21.919 -5.370 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.204 -5.016 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.686 -5.601 8.292 1.00 0.00 H new ATOM 0 HG SER A 40 -18.650 -7.022 7.053 1.00 0.00 H new ATOM 600 N PHE A 41 -21.332 -2.877 6.592 1.00 0.00 N ATOM 601 CA PHE A 41 -21.143 -1.406 6.391 1.00 0.00 C ATOM 602 C PHE A 41 -19.676 -1.039 6.636 1.00 0.00 C ATOM 603 O PHE A 41 -19.048 -0.386 5.824 1.00 0.00 O ATOM 604 CB PHE A 41 -22.053 -0.738 7.429 1.00 0.00 C ATOM 605 CG PHE A 41 -21.922 0.766 7.336 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.479 1.457 6.253 1.00 0.00 C ATOM 607 CD2 PHE A 41 -21.240 1.469 8.337 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.353 2.849 6.170 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.115 2.860 8.255 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.672 3.550 7.171 1.00 0.00 C ATOM 0 H PHE A 41 -22.038 -3.133 7.282 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.391 -1.085 5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -23.089 -1.033 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.785 -1.074 8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.006 0.916 5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.810 0.937 9.173 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.781 3.381 5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.589 3.402 9.027 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.576 4.624 7.108 1.00 0.00 H new ATOM 620 N SER A 42 -19.127 -1.470 7.746 1.00 0.00 N ATOM 621 CA SER A 42 -17.695 -1.166 8.050 1.00 0.00 C ATOM 622 C SER A 42 -16.782 -1.812 7.000 1.00 0.00 C ATOM 623 O SER A 42 -15.774 -1.248 6.618 1.00 0.00 O ATOM 624 CB SER A 42 -17.434 -1.768 9.432 1.00 0.00 C ATOM 625 OG SER A 42 -16.394 -1.038 10.074 1.00 0.00 O ATOM 0 H SER A 42 -19.611 -2.020 8.456 1.00 0.00 H new ATOM 0 HA SER A 42 -17.493 -0.095 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 42 -18.342 -1.734 10.033 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.153 -2.817 9.337 1.00 0.00 H new ATOM 0 HG SER A 42 -16.225 -1.420 10.961 1.00 0.00 H new ATOM 631 N GLN A 43 -17.135 -2.983 6.521 1.00 0.00 N ATOM 632 CA GLN A 43 -16.293 -3.657 5.485 1.00 0.00 C ATOM 633 C GLN A 43 -16.281 -2.821 4.202 1.00 0.00 C ATOM 634 O GLN A 43 -15.248 -2.640 3.582 1.00 0.00 O ATOM 635 CB GLN A 43 -16.964 -5.015 5.239 1.00 0.00 C ATOM 636 CG GLN A 43 -15.915 -6.040 4.796 1.00 0.00 C ATOM 637 CD GLN A 43 -15.561 -6.961 5.968 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.414 -7.642 6.501 1.00 0.00 O ATOM 639 NE2 GLN A 43 -14.327 -7.016 6.393 1.00 0.00 N ATOM 0 H GLN A 43 -17.969 -3.499 6.803 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.257 -3.774 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.458 -5.357 6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.735 -4.917 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.298 -6.628 3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.021 -5.528 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.608 -6.445 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.082 -7.630 7.170 1.00 0.00 H new ATOM 648 N ALA A 44 -17.418 -2.300 3.808 1.00 0.00 N ATOM 649 CA ALA A 44 -17.475 -1.462 2.572 1.00 0.00 C ATOM 650 C ALA A 44 -16.739 -0.138 2.805 1.00 0.00 C ATOM 651 O ALA A 44 -16.087 0.382 1.918 1.00 0.00 O ATOM 652 CB ALA A 44 -18.967 -1.221 2.317 1.00 0.00 C ATOM 0 H ALA A 44 -18.309 -2.420 4.290 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.998 -1.945 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.089 -0.611 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.471 -2.177 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.403 -0.704 3.171 1.00 0.00 H new ATOM 658 N ARG A 45 -16.833 0.399 4.000 1.00 0.00 N ATOM 659 CA ARG A 45 -16.132 1.681 4.314 1.00 0.00 C ATOM 660 C ARG A 45 -14.613 1.480 4.250 1.00 0.00 C ATOM 661 O ARG A 45 -13.887 2.324 3.757 1.00 0.00 O ATOM 662 CB ARG A 45 -16.555 2.043 5.743 1.00 0.00 C ATOM 663 CG ARG A 45 -17.319 3.372 5.739 1.00 0.00 C ATOM 664 CD ARG A 45 -16.396 4.511 5.282 1.00 0.00 C ATOM 665 NE ARG A 45 -15.450 4.739 6.416 1.00 0.00 N ATOM 666 CZ ARG A 45 -14.319 5.363 6.207 1.00 0.00 C ATOM 667 NH1 ARG A 45 -13.371 4.780 5.518 1.00 0.00 N ATOM 668 NH2 ARG A 45 -14.139 6.567 6.686 1.00 0.00 N ATOM 0 H ARG A 45 -17.368 0.001 4.772 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.389 2.467 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.183 1.254 6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.676 2.120 6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.180 3.303 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.702 3.583 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.860 4.240 4.372 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.966 5.413 5.060 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.686 4.409 7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.515 3.841 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.488 5.264 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.880 7.019 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.258 7.054 6.524 1.00 0.00 H new ATOM 682 N SER A 46 -14.130 0.367 4.754 1.00 0.00 N ATOM 683 CA SER A 46 -12.658 0.102 4.734 1.00 0.00 C ATOM 684 C SER A 46 -12.142 0.016 3.293 1.00 0.00 C ATOM 685 O SER A 46 -11.105 0.562 2.971 1.00 0.00 O ATOM 686 CB SER A 46 -12.475 -1.239 5.450 1.00 0.00 C ATOM 687 OG SER A 46 -11.084 -1.511 5.594 1.00 0.00 O ATOM 0 H SER A 46 -14.694 -0.369 5.178 1.00 0.00 H new ATOM 0 HA SER A 46 -12.099 0.901 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.955 -1.210 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.956 -2.036 4.883 1.00 0.00 H new ATOM 0 HG SER A 46 -10.964 -2.368 6.053 1.00 0.00 H new ATOM 693 N CYS A 47 -12.855 -0.663 2.421 1.00 0.00 N ATOM 694 CA CYS A 47 -12.385 -0.772 1.004 1.00 0.00 C ATOM 695 C CYS A 47 -12.382 0.602 0.325 1.00 0.00 C ATOM 696 O CYS A 47 -11.536 0.881 -0.498 1.00 0.00 O ATOM 697 CB CYS A 47 -13.361 -1.712 0.299 1.00 0.00 C ATOM 698 SG CYS A 47 -12.749 -2.032 -1.372 1.00 0.00 S ATOM 0 H CYS A 47 -13.732 -1.141 2.628 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.364 -1.152 0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.454 -2.646 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.354 -1.265 0.259 1.00 0.00 H new ATOM 703 N CYS A 48 -13.315 1.461 0.662 1.00 0.00 N ATOM 704 CA CYS A 48 -13.344 2.817 0.026 1.00 0.00 C ATOM 705 C CYS A 48 -12.052 3.576 0.348 1.00 0.00 C ATOM 706 O CYS A 48 -11.468 4.214 -0.506 1.00 0.00 O ATOM 707 CB CYS A 48 -14.548 3.532 0.638 1.00 0.00 C ATOM 708 SG CYS A 48 -14.595 5.249 0.061 1.00 0.00 S ATOM 0 H CYS A 48 -14.052 1.284 1.344 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.422 2.756 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.468 3.019 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.485 3.505 1.726 1.00 0.00 H new ATOM 713 N SER A 49 -11.605 3.508 1.577 1.00 0.00 N ATOM 714 CA SER A 49 -10.356 4.219 1.969 1.00 0.00 C ATOM 715 C SER A 49 -9.107 3.427 1.546 1.00 0.00 C ATOM 716 O SER A 49 -8.007 3.945 1.571 1.00 0.00 O ATOM 717 CB SER A 49 -10.439 4.319 3.491 1.00 0.00 C ATOM 718 OG SER A 49 -11.169 5.487 3.849 1.00 0.00 O ATOM 0 H SER A 49 -12.057 2.986 2.328 1.00 0.00 H new ATOM 0 HA SER A 49 -10.271 5.193 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.926 3.433 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.437 4.357 3.919 1.00 0.00 H new ATOM 0 HG SER A 49 -10.746 5.912 4.624 1.00 0.00 H new ATOM 724 N ARG A 50 -9.263 2.181 1.167 1.00 0.00 N ATOM 725 CA ARG A 50 -8.077 1.369 0.753 1.00 0.00 C ATOM 726 C ARG A 50 -7.985 1.260 -0.780 1.00 0.00 C ATOM 727 O ARG A 50 -6.909 1.106 -1.326 1.00 0.00 O ATOM 728 CB ARG A 50 -8.304 -0.014 1.374 1.00 0.00 C ATOM 729 CG ARG A 50 -7.176 -0.330 2.364 1.00 0.00 C ATOM 730 CD ARG A 50 -7.618 0.035 3.785 1.00 0.00 C ATOM 731 NE ARG A 50 -6.972 -0.982 4.666 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.934 -0.659 5.392 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.761 -0.523 4.830 1.00 0.00 N ATOM 734 NH2 ARG A 50 -6.071 -0.470 6.680 1.00 0.00 N ATOM 0 H ARG A 50 -10.158 1.693 1.127 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.144 1.824 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.267 -0.040 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.337 -0.773 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.920 -1.388 2.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.278 0.228 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.301 1.044 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.703 0.006 3.880 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.342 -1.932 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.657 -0.669 3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.951 -0.271 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.987 -0.575 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.262 -0.218 7.247 1.00 0.00 H new ATOM 748 N LEU A 51 -9.097 1.321 -1.478 1.00 0.00 N ATOM 749 CA LEU A 51 -9.051 1.199 -2.973 1.00 0.00 C ATOM 750 C LEU A 51 -10.056 2.133 -3.672 1.00 0.00 C ATOM 751 O LEU A 51 -10.240 2.050 -4.874 1.00 0.00 O ATOM 752 CB LEU A 51 -9.410 -0.263 -3.251 1.00 0.00 C ATOM 753 CG LEU A 51 -8.132 -1.074 -3.485 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.346 -2.511 -3.009 1.00 0.00 C ATOM 755 CD2 LEU A 51 -7.792 -1.078 -4.979 1.00 0.00 C ATOM 0 H LEU A 51 -10.028 1.449 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.072 1.484 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.966 -0.677 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.059 -0.328 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.311 -0.623 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.437 -3.089 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.586 -2.510 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.168 -2.960 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.882 -1.656 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.613 -1.527 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.638 -0.054 -5.320 1.00 0.00 H new ATOM 767 N GLY A 52 -10.706 3.016 -2.951 1.00 0.00 N ATOM 768 CA GLY A 52 -11.690 3.939 -3.603 1.00 0.00 C ATOM 769 C GLY A 52 -12.920 3.153 -4.086 1.00 0.00 C ATOM 770 O GLY A 52 -13.582 3.548 -5.029 1.00 0.00 O ATOM 0 H GLY A 52 -10.599 3.137 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.997 4.711 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.220 4.446 -4.446 1.00 0.00 H new ATOM 774 N ARG A 53 -13.233 2.045 -3.455 1.00 0.00 N ATOM 775 CA ARG A 53 -14.420 1.241 -3.885 1.00 0.00 C ATOM 776 C ARG A 53 -15.489 1.230 -2.787 1.00 0.00 C ATOM 777 O ARG A 53 -15.181 1.211 -1.612 1.00 0.00 O ATOM 778 CB ARG A 53 -13.887 -0.171 -4.120 1.00 0.00 C ATOM 779 CG ARG A 53 -13.330 -0.282 -5.543 1.00 0.00 C ATOM 780 CD ARG A 53 -14.430 -0.773 -6.491 1.00 0.00 C ATOM 781 NE ARG A 53 -15.147 0.460 -6.932 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.759 1.098 -8.005 1.00 0.00 C ATOM 783 NH1 ARG A 53 -14.819 0.511 -9.174 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.313 2.324 -7.909 1.00 0.00 N ATOM 0 H ARG A 53 -12.718 1.664 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.887 1.656 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.107 -0.401 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.684 -0.900 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.957 0.687 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.486 -0.972 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.007 -1.308 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.106 -1.462 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.942 0.806 -6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.169 -0.444 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.516 1.009 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.268 2.781 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.010 2.823 -8.745 1.00 0.00 H new ATOM 798 N CYS A 54 -16.743 1.260 -3.176 1.00 0.00 N ATOM 799 CA CYS A 54 -17.868 1.269 -2.183 1.00 0.00 C ATOM 800 C CYS A 54 -17.762 2.529 -1.323 1.00 0.00 C ATOM 801 O CYS A 54 -17.673 2.474 -0.111 1.00 0.00 O ATOM 802 CB CYS A 54 -17.707 -0.004 -1.339 1.00 0.00 C ATOM 803 SG CYS A 54 -18.346 -1.421 -2.266 1.00 0.00 S ATOM 0 H CYS A 54 -17.039 1.279 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.848 1.281 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.657 -0.160 -1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.244 0.101 -0.396 1.00 0.00 H new ATOM 808 N CYS A 55 -17.744 3.664 -1.965 1.00 0.00 N ATOM 809 CA CYS A 55 -17.611 4.952 -1.233 1.00 0.00 C ATOM 810 C CYS A 55 -18.961 5.680 -1.096 1.00 0.00 C ATOM 811 O CYS A 55 -19.036 6.724 -0.476 1.00 0.00 O ATOM 812 CB CYS A 55 -16.647 5.763 -2.098 1.00 0.00 C ATOM 813 SG CYS A 55 -14.971 5.103 -1.918 1.00 0.00 S ATOM 0 H CYS A 55 -17.817 3.753 -2.978 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.258 4.807 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.956 5.720 -3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.670 6.812 -1.801 1.00 0.00 H new ATOM 818 N HIS A 56 -20.022 5.153 -1.664 1.00 0.00 N ATOM 819 CA HIS A 56 -21.343 5.839 -1.554 1.00 0.00 C ATOM 820 C HIS A 56 -22.464 4.831 -1.247 1.00 0.00 C ATOM 821 O HIS A 56 -23.508 4.845 -1.871 1.00 0.00 O ATOM 822 CB HIS A 56 -21.556 6.494 -2.921 1.00 0.00 C ATOM 823 CG HIS A 56 -22.467 7.683 -2.774 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.814 7.549 -2.477 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.239 9.033 -2.878 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.341 8.785 -2.414 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.423 9.728 -2.651 1.00 0.00 N ATOM 0 H HIS A 56 -20.027 4.282 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.361 6.566 -0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.599 6.806 -3.339 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -21.989 5.775 -3.617 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.315 6.672 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.285 9.487 -3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.379 8.991 -2.198 1.00 0.00 H new ATOM 835 N VAL A 57 -22.263 3.966 -0.283 1.00 0.00 N ATOM 836 CA VAL A 57 -23.329 2.974 0.064 1.00 0.00 C ATOM 837 C VAL A 57 -23.994 3.370 1.388 1.00 0.00 C ATOM 838 O VAL A 57 -23.397 3.280 2.446 1.00 0.00 O ATOM 839 CB VAL A 57 -22.609 1.626 0.185 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.598 0.546 0.640 1.00 0.00 C ATOM 841 CG2 VAL A 57 -22.031 1.237 -1.177 1.00 0.00 C ATOM 0 H VAL A 57 -21.412 3.904 0.276 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.119 2.930 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.806 1.712 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -23.080 -0.409 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -24.015 0.819 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.403 0.459 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.518 0.279 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.838 1.155 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.324 2.000 -1.504 1.00 0.00 H new ATOM 851 N GLY A 58 -25.224 3.815 1.332 1.00 0.00 N ATOM 852 CA GLY A 58 -25.938 4.229 2.577 1.00 0.00 C ATOM 853 C GLY A 58 -25.466 5.626 2.992 1.00 0.00 C ATOM 854 O GLY A 58 -24.476 5.776 3.681 1.00 0.00 O ATOM 0 H GLY A 58 -25.766 3.910 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.015 4.232 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.743 3.514 3.377 1.00 0.00 H new ATOM 858 N LYS A 59 -26.168 6.648 2.572 1.00 0.00 N ATOM 859 CA LYS A 59 -25.765 8.040 2.935 1.00 0.00 C ATOM 860 C LYS A 59 -26.618 8.551 4.104 1.00 0.00 C ATOM 861 O LYS A 59 -27.759 8.937 3.928 1.00 0.00 O ATOM 862 CB LYS A 59 -26.015 8.871 1.672 1.00 0.00 C ATOM 863 CG LYS A 59 -25.282 10.210 1.784 1.00 0.00 C ATOM 864 CD LYS A 59 -25.205 10.872 0.404 1.00 0.00 C ATOM 865 CE LYS A 59 -25.359 12.390 0.552 1.00 0.00 C ATOM 866 NZ LYS A 59 -26.760 12.685 0.129 1.00 0.00 N ATOM 0 H LYS A 59 -27.004 6.578 1.992 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.725 8.099 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.668 8.328 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.084 9.040 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -25.803 10.864 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -24.279 10.055 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.252 10.638 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.988 10.478 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.184 12.705 1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.640 12.921 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -26.937 13.707 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.896 12.382 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.424 12.172 0.744 1.00 0.00 H new ATOM 880 N GLY A 60 -26.070 8.552 5.294 1.00 0.00 N ATOM 881 CA GLY A 60 -26.842 9.033 6.480 1.00 0.00 C ATOM 882 C GLY A 60 -27.567 7.853 7.139 1.00 0.00 C ATOM 883 O GLY A 60 -27.419 6.715 6.732 1.00 0.00 O ATOM 0 H GLY A 60 -25.120 8.240 5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -26.170 9.505 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -27.564 9.790 6.173 1.00 0.00 H new ATOM 887 N TYR A 61 -28.346 8.119 8.159 1.00 0.00 N ATOM 888 CA TYR A 61 -29.082 7.019 8.855 1.00 0.00 C ATOM 889 C TYR A 61 -30.247 6.521 7.991 1.00 0.00 C ATOM 890 O TYR A 61 -30.741 7.225 7.129 1.00 0.00 O ATOM 891 CB TYR A 61 -29.603 7.643 10.153 1.00 0.00 C ATOM 892 CG TYR A 61 -30.047 6.554 11.102 1.00 0.00 C ATOM 893 CD1 TYR A 61 -29.098 5.860 11.864 1.00 0.00 C ATOM 894 CD2 TYR A 61 -31.406 6.240 11.222 1.00 0.00 C ATOM 895 CE1 TYR A 61 -29.510 4.852 12.743 1.00 0.00 C ATOM 896 CE2 TYR A 61 -31.816 5.232 12.101 1.00 0.00 C ATOM 897 CZ TYR A 61 -30.868 4.539 12.862 1.00 0.00 C ATOM 898 OH TYR A 61 -31.273 3.545 13.731 1.00 0.00 O ATOM 0 H TYR A 61 -28.504 9.052 8.540 1.00 0.00 H new ATOM 0 HA TYR A 61 -28.442 6.157 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -28.822 8.246 10.617 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -30.436 8.312 9.937 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -28.050 6.103 11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -32.138 6.776 10.636 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -28.779 4.316 13.330 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -32.864 4.989 12.192 1.00 0.00 H new ATOM 0 HH TYR A 61 -32.248 3.455 13.693 1.00 0.00 H new ATOM 908 N SER A 62 -30.686 5.310 8.222 1.00 0.00 N ATOM 909 CA SER A 62 -31.818 4.749 7.425 1.00 0.00 C ATOM 910 C SER A 62 -32.548 3.660 8.221 1.00 0.00 C ATOM 911 O SER A 62 -32.063 3.178 9.228 1.00 0.00 O ATOM 912 CB SER A 62 -31.179 4.157 6.165 1.00 0.00 C ATOM 913 OG SER A 62 -29.973 3.480 6.506 1.00 0.00 O ATOM 0 H SER A 62 -30.307 4.683 8.932 1.00 0.00 H new ATOM 0 HA SER A 62 -32.558 5.512 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 62 -31.872 3.465 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 62 -30.971 4.949 5.446 1.00 0.00 H new ATOM 0 HG SER A 62 -29.570 3.102 5.697 1.00 0.00 H new ATOM 919 N GLY A 63 -33.714 3.272 7.770 1.00 0.00 N ATOM 920 CA GLY A 63 -34.487 2.216 8.488 1.00 0.00 C ATOM 921 C GLY A 63 -35.841 2.016 7.803 1.00 0.00 C ATOM 922 O GLY A 63 -35.957 1.084 7.024 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.737 2.800 8.068 1.00 0.00 O ATOM 0 H GLY A 63 -34.164 3.643 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -33.928 1.280 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -34.634 2.503 9.529 1.00 0.00 H new TER 927 GLY A 63