USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 684 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 45 LYS NZ :NH3+ -176:sc= -0.596 (180deg=-0.654) USER MOD Set 1.2: A 48 MET CE :methyl -138:sc= -0.911 (180deg=-3.15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 85:sc= 0.498 USER MOD Single : A 15 ASN : amide:sc= -0.961 X(o=-0.96,f=-0.59) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -128:sc= -0.883 (180deg=-4.75!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00599 X(o=-0.006,f=-0.006) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0246 (180deg=-0.249) USER MOD Single : A 28 CYS SG : rot 58:sc= 0.593 USER MOD Single : A 30 TYR OH : rot -8:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.393 (180deg=-2.19!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -2.46 K(o=-2.5,f=-5.1!) USER MOD Single : A 37 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 41 CYS SG : rot 79:sc= 0.836 USER MOD Single : A 42 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.0093) USER MOD Single : A 52 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.031) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -0.146 (180deg=-0.663) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.5 K(o=-1.5,f=-4.2!) USER MOD Single : A 66 MET CE :methyl -167:sc= -3.56! (180deg=-4.57!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.403) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0929 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -32:sc= 0.108 USER MOD Single : A 88 ASN : amide:sc= 0.0573 X(o=0.057,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.544 1.526 1.175 1.00 45.02 N ATOM 2 CA MET A 1 3.307 0.755 -0.040 1.00 52.43 C ATOM 3 C MET A 1 4.550 -0.036 -0.434 1.00 41.32 C ATOM 4 O MET A 1 5.657 0.266 0.013 1.00 74.12 O ATOM 5 CB MET A 1 2.894 1.682 -1.185 1.00 40.42 C ATOM 6 CG MET A 1 1.941 1.036 -2.178 1.00 25.44 C ATOM 7 SD MET A 1 0.314 0.716 -1.471 1.00 13.22 S ATOM 8 CE MET A 1 -0.566 2.196 -1.966 1.00 34.35 C ATOM 0 H1 MET A 1 2.684 2.056 1.423 1.00 45.02 H new ATOM 0 H2 MET A 1 3.790 0.881 1.953 1.00 45.02 H new ATOM 0 H3 MET A 1 4.327 2.192 1.016 1.00 45.02 H new ATOM 0 HA MET A 1 2.499 0.051 0.158 1.00 52.43 H new ATOM 0 HB2 MET A 1 2.423 2.572 -0.769 1.00 40.42 H new ATOM 0 HB3 MET A 1 3.788 2.012 -1.714 1.00 40.42 H new ATOM 0 HG2 MET A 1 1.834 1.685 -3.048 1.00 25.44 H new ATOM 0 HG3 MET A 1 2.371 0.098 -2.531 1.00 25.44 H new ATOM 0 HE1 MET A 1 -1.592 2.148 -1.602 1.00 34.35 H new ATOM 0 HE2 MET A 1 -0.072 3.071 -1.544 1.00 34.35 H new ATOM 0 HE3 MET A 1 -0.570 2.270 -3.053 1.00 34.35 H new ATOM 18 N SER A 2 4.360 -1.049 -1.273 1.00 61.20 N ATOM 19 CA SER A 2 5.466 -1.886 -1.724 1.00 30.15 C ATOM 20 C SER A 2 6.560 -1.040 -2.369 1.00 33.34 C ATOM 21 O SER A 2 7.729 -1.423 -2.382 1.00 70.53 O ATOM 22 CB SER A 2 4.966 -2.937 -2.716 1.00 62.34 C ATOM 23 OG SER A 2 4.058 -2.371 -3.645 1.00 10.31 O ATOM 0 H SER A 2 3.451 -1.310 -1.654 1.00 61.20 H new ATOM 0 HA SER A 2 5.887 -2.390 -0.854 1.00 30.15 H new ATOM 0 HB2 SER A 2 5.812 -3.371 -3.248 1.00 62.34 H new ATOM 0 HB3 SER A 2 4.479 -3.749 -2.176 1.00 62.34 H new ATOM 0 HG SER A 2 3.755 -3.063 -4.269 1.00 10.31 H new ATOM 29 N ALA A 3 6.170 0.113 -2.902 1.00 72.33 N ATOM 30 CA ALA A 3 7.116 1.015 -3.547 1.00 71.43 C ATOM 31 C ALA A 3 8.094 1.600 -2.535 1.00 22.05 C ATOM 32 O ALA A 3 9.225 1.946 -2.878 1.00 14.43 O ATOM 33 CB ALA A 3 6.374 2.128 -4.272 1.00 31.03 C ATOM 0 H ALA A 3 5.205 0.445 -2.900 1.00 72.33 H new ATOM 0 HA ALA A 3 7.688 0.441 -4.276 1.00 71.43 H new ATOM 0 HB1 ALA A 3 7.093 2.794 -4.749 1.00 31.03 H new ATOM 0 HB2 ALA A 3 5.721 1.696 -5.030 1.00 31.03 H new ATOM 0 HB3 ALA A 3 5.776 2.692 -3.557 1.00 31.03 H new ATOM 39 N ASP A 4 7.652 1.708 -1.287 1.00 1.25 N ATOM 40 CA ASP A 4 8.489 2.252 -0.223 1.00 62.33 C ATOM 41 C ASP A 4 9.214 1.135 0.522 1.00 42.31 C ATOM 42 O ASP A 4 10.269 1.356 1.117 1.00 64.23 O ATOM 43 CB ASP A 4 7.643 3.068 0.754 1.00 12.34 C ATOM 44 CG ASP A 4 8.471 4.056 1.552 1.00 41.30 C ATOM 45 OD1 ASP A 4 9.703 4.095 1.352 1.00 4.43 O ATOM 46 OD2 ASP A 4 7.887 4.791 2.375 1.00 11.22 O ATOM 0 H ASP A 4 6.719 1.426 -0.987 1.00 1.25 H new ATOM 0 HA ASP A 4 9.234 2.905 -0.678 1.00 62.33 H new ATOM 0 HB2 ASP A 4 6.873 3.607 0.201 1.00 12.34 H new ATOM 0 HB3 ASP A 4 7.130 2.392 1.438 1.00 12.34 H new ATOM 51 N ASP A 5 8.641 -0.062 0.486 1.00 72.41 N ATOM 52 CA ASP A 5 9.232 -1.214 1.158 1.00 41.32 C ATOM 53 C ASP A 5 10.332 -1.836 0.303 1.00 2.33 C ATOM 54 O ASP A 5 11.011 -2.770 0.730 1.00 10.12 O ATOM 55 CB ASP A 5 8.158 -2.258 1.467 1.00 0.44 C ATOM 56 CG ASP A 5 7.382 -1.934 2.729 1.00 3.50 C ATOM 57 OD1 ASP A 5 6.797 -0.833 2.799 1.00 15.45 O ATOM 58 OD2 ASP A 5 7.360 -2.781 3.646 1.00 62.14 O ATOM 0 H ASP A 5 7.767 -0.261 -0.001 1.00 72.41 H new ATOM 0 HA ASP A 5 9.673 -0.871 2.094 1.00 41.32 H new ATOM 0 HB2 ASP A 5 7.467 -2.325 0.626 1.00 0.44 H new ATOM 0 HB3 ASP A 5 8.626 -3.237 1.573 1.00 0.44 H new ATOM 63 N PHE A 6 10.502 -1.312 -0.906 1.00 61.02 N ATOM 64 CA PHE A 6 11.518 -1.817 -1.822 1.00 63.11 C ATOM 65 C PHE A 6 12.884 -1.870 -1.144 1.00 1.14 C ATOM 66 O PHE A 6 13.716 -2.718 -1.465 1.00 23.54 O ATOM 67 CB PHE A 6 11.591 -0.938 -3.072 1.00 40.31 C ATOM 68 CG PHE A 6 12.328 0.353 -2.855 1.00 61.21 C ATOM 69 CD1 PHE A 6 11.879 1.274 -1.923 1.00 50.31 C ATOM 70 CD2 PHE A 6 13.470 0.645 -3.584 1.00 20.33 C ATOM 71 CE1 PHE A 6 12.555 2.463 -1.721 1.00 21.24 C ATOM 72 CE2 PHE A 6 14.151 1.831 -3.385 1.00 55.13 C ATOM 73 CZ PHE A 6 13.692 2.742 -2.454 1.00 31.24 C ATOM 0 H PHE A 6 9.949 -0.538 -1.274 1.00 61.02 H new ATOM 0 HA PHE A 6 11.237 -2.829 -2.114 1.00 63.11 H new ATOM 0 HB2 PHE A 6 12.079 -1.496 -3.871 1.00 40.31 H new ATOM 0 HB3 PHE A 6 10.579 -0.717 -3.410 1.00 40.31 H new ATOM 0 HD1 PHE A 6 10.990 1.061 -1.347 1.00 50.31 H new ATOM 0 HD2 PHE A 6 13.832 -0.062 -4.316 1.00 20.33 H new ATOM 0 HE1 PHE A 6 12.195 3.173 -0.991 1.00 21.24 H new ATOM 0 HE2 PHE A 6 15.042 2.045 -3.957 1.00 55.13 H new ATOM 0 HZ PHE A 6 14.221 3.671 -2.299 1.00 31.24 H new ATOM 83 N ASP A 7 13.107 -0.957 -0.205 1.00 30.14 N ATOM 84 CA ASP A 7 14.371 -0.899 0.520 1.00 10.24 C ATOM 85 C ASP A 7 14.719 -2.259 1.117 1.00 73.34 C ATOM 86 O ASP A 7 15.851 -2.727 1.002 1.00 3.34 O ATOM 87 CB ASP A 7 14.300 0.154 1.628 1.00 44.15 C ATOM 88 CG ASP A 7 15.060 1.418 1.274 1.00 74.21 C ATOM 89 OD1 ASP A 7 16.261 1.317 0.948 1.00 2.02 O ATOM 90 OD2 ASP A 7 14.452 2.508 1.322 1.00 30.51 O ATOM 0 H ASP A 7 12.429 -0.247 0.072 1.00 30.14 H new ATOM 0 HA ASP A 7 15.153 -0.621 -0.186 1.00 10.24 H new ATOM 0 HB2 ASP A 7 13.257 0.403 1.823 1.00 44.15 H new ATOM 0 HB3 ASP A 7 14.705 -0.264 2.549 1.00 44.15 H new ATOM 95 N ALA A 8 13.737 -2.889 1.754 1.00 52.24 N ATOM 96 CA ALA A 8 13.939 -4.196 2.367 1.00 53.41 C ATOM 97 C ALA A 8 14.118 -5.278 1.307 1.00 1.54 C ATOM 98 O ALA A 8 14.646 -6.353 1.588 1.00 4.11 O ATOM 99 CB ALA A 8 12.770 -4.537 3.280 1.00 40.45 C ATOM 0 H ALA A 8 12.794 -2.515 1.859 1.00 52.24 H new ATOM 0 HA ALA A 8 14.851 -4.153 2.963 1.00 53.41 H new ATOM 0 HB1 ALA A 8 12.934 -5.516 3.731 1.00 40.45 H new ATOM 0 HB2 ALA A 8 12.690 -3.785 4.065 1.00 40.45 H new ATOM 0 HB3 ALA A 8 11.848 -4.555 2.699 1.00 40.45 H new ATOM 105 N ALA A 9 13.674 -4.986 0.089 1.00 3.42 N ATOM 106 CA ALA A 9 13.787 -5.933 -1.013 1.00 23.35 C ATOM 107 C ALA A 9 15.193 -5.923 -1.604 1.00 11.14 C ATOM 108 O ALA A 9 15.812 -6.973 -1.777 1.00 3.42 O ATOM 109 CB ALA A 9 12.758 -5.618 -2.088 1.00 1.22 C ATOM 0 H ALA A 9 13.233 -4.101 -0.159 1.00 3.42 H new ATOM 0 HA ALA A 9 13.593 -6.932 -0.622 1.00 23.35 H new ATOM 0 HB1 ALA A 9 12.854 -6.333 -2.905 1.00 1.22 H new ATOM 0 HB2 ALA A 9 11.756 -5.685 -1.663 1.00 1.22 H new ATOM 0 HB3 ALA A 9 12.925 -4.610 -2.467 1.00 1.22 H new ATOM 115 N VAL A 10 15.691 -4.730 -1.912 1.00 43.14 N ATOM 116 CA VAL A 10 17.025 -4.583 -2.484 1.00 55.11 C ATOM 117 C VAL A 10 18.095 -5.077 -1.517 1.00 54.20 C ATOM 118 O VAL A 10 19.137 -5.584 -1.933 1.00 13.05 O ATOM 119 CB VAL A 10 17.319 -3.117 -2.853 1.00 14.32 C ATOM 120 CG1 VAL A 10 18.623 -3.012 -3.628 1.00 22.21 C ATOM 121 CG2 VAL A 10 16.166 -2.527 -3.651 1.00 72.03 C ATOM 0 H VAL A 10 15.191 -3.851 -1.775 1.00 43.14 H new ATOM 0 HA VAL A 10 17.050 -5.190 -3.389 1.00 55.11 H new ATOM 0 HB VAL A 10 17.425 -2.543 -1.932 1.00 14.32 H new ATOM 0 HG11 VAL A 10 18.814 -1.969 -3.880 1.00 22.21 H new ATOM 0 HG12 VAL A 10 19.441 -3.393 -3.017 1.00 22.21 H new ATOM 0 HG13 VAL A 10 18.550 -3.599 -4.544 1.00 22.21 H new ATOM 0 HG21 VAL A 10 16.391 -1.491 -3.903 1.00 72.03 H new ATOM 0 HG22 VAL A 10 16.026 -3.101 -4.567 1.00 72.03 H new ATOM 0 HG23 VAL A 10 15.254 -2.566 -3.055 1.00 72.03 H new ATOM 131 N LYS A 11 17.830 -4.926 -0.224 1.00 4.34 N ATOM 132 CA LYS A 11 18.769 -5.358 0.805 1.00 2.40 C ATOM 133 C LYS A 11 18.761 -6.876 0.946 1.00 62.41 C ATOM 134 O LYS A 11 19.804 -7.495 1.161 1.00 12.14 O ATOM 135 CB LYS A 11 18.422 -4.709 2.147 1.00 54.53 C ATOM 136 CG LYS A 11 18.820 -3.246 2.236 1.00 40.51 C ATOM 137 CD LYS A 11 20.278 -3.088 2.634 1.00 11.11 C ATOM 138 CE LYS A 11 20.455 -3.163 4.143 1.00 51.31 C ATOM 139 NZ LYS A 11 21.844 -2.822 4.556 1.00 44.00 N ATOM 0 H LYS A 11 16.973 -4.508 0.137 1.00 4.34 H new ATOM 0 HA LYS A 11 19.768 -5.044 0.504 1.00 2.40 H new ATOM 0 HB2 LYS A 11 17.349 -4.796 2.316 1.00 54.53 H new ATOM 0 HB3 LYS A 11 18.916 -5.261 2.947 1.00 54.53 H new ATOM 0 HG2 LYS A 11 18.650 -2.763 1.274 1.00 40.51 H new ATOM 0 HG3 LYS A 11 18.186 -2.739 2.964 1.00 40.51 H new ATOM 0 HD2 LYS A 11 20.873 -3.867 2.158 1.00 11.11 H new ATOM 0 HD3 LYS A 11 20.654 -2.132 2.269 1.00 11.11 H new ATOM 0 HE2 LYS A 11 19.755 -2.481 4.625 1.00 51.31 H new ATOM 0 HE3 LYS A 11 20.210 -4.167 4.488 1.00 51.31 H new ATOM 0 HZ1 LYS A 11 21.924 -2.885 5.591 1.00 44.00 H new ATOM 0 HZ2 LYS A 11 22.510 -3.489 4.116 1.00 44.00 H new ATOM 0 HZ3 LYS A 11 22.070 -1.854 4.249 1.00 44.00 H new ATOM 153 N TYR A 12 17.580 -7.471 0.821 1.00 21.14 N ATOM 154 CA TYR A 12 17.437 -8.918 0.936 1.00 51.32 C ATOM 155 C TYR A 12 18.061 -9.623 -0.264 1.00 61.51 C ATOM 156 O TYR A 12 18.467 -10.782 -0.176 1.00 22.35 O ATOM 157 CB TYR A 12 15.960 -9.297 1.053 1.00 32.33 C ATOM 158 CG TYR A 12 15.727 -10.614 1.759 1.00 63.21 C ATOM 159 CD1 TYR A 12 16.027 -11.820 1.137 1.00 21.20 C ATOM 160 CD2 TYR A 12 15.207 -10.653 3.047 1.00 42.24 C ATOM 161 CE1 TYR A 12 15.816 -13.026 1.777 1.00 12.14 C ATOM 162 CE2 TYR A 12 14.994 -11.854 3.695 1.00 0.31 C ATOM 163 CZ TYR A 12 15.300 -13.037 3.056 1.00 34.54 C ATOM 164 OH TYR A 12 15.087 -14.236 3.699 1.00 43.14 O ATOM 0 H TYR A 12 16.708 -6.974 0.640 1.00 21.14 H new ATOM 0 HA TYR A 12 17.960 -9.240 1.836 1.00 51.32 H new ATOM 0 HB2 TYR A 12 15.433 -8.508 1.590 1.00 32.33 H new ATOM 0 HB3 TYR A 12 15.526 -9.348 0.054 1.00 32.33 H new ATOM 0 HD1 TYR A 12 16.432 -11.814 0.136 1.00 21.20 H new ATOM 0 HD2 TYR A 12 14.965 -9.728 3.550 1.00 42.24 H new ATOM 0 HE1 TYR A 12 16.054 -13.954 1.279 1.00 12.14 H new ATOM 0 HE2 TYR A 12 14.590 -11.866 4.697 1.00 0.31 H new ATOM 0 HH TYR A 12 14.721 -14.068 4.592 1.00 43.14 H new ATOM 174 N VAL A 13 18.135 -8.915 -1.387 1.00 33.24 N ATOM 175 CA VAL A 13 18.711 -9.471 -2.605 1.00 73.41 C ATOM 176 C VAL A 13 20.190 -9.123 -2.722 1.00 42.02 C ATOM 177 O VAL A 13 20.994 -9.930 -3.189 1.00 74.32 O ATOM 178 CB VAL A 13 17.974 -8.961 -3.858 1.00 33.53 C ATOM 179 CG1 VAL A 13 18.717 -9.373 -5.119 1.00 44.53 C ATOM 180 CG2 VAL A 13 16.543 -9.477 -3.880 1.00 72.45 C ATOM 0 H VAL A 13 17.803 -7.955 -1.478 1.00 33.24 H new ATOM 0 HA VAL A 13 18.599 -10.553 -2.542 1.00 73.41 H new ATOM 0 HB VAL A 13 17.943 -7.872 -3.823 1.00 33.53 H new ATOM 0 HG11 VAL A 13 18.182 -9.004 -5.994 1.00 44.53 H new ATOM 0 HG12 VAL A 13 19.722 -8.951 -5.104 1.00 44.53 H new ATOM 0 HG13 VAL A 13 18.781 -10.460 -5.165 1.00 44.53 H new ATOM 0 HG21 VAL A 13 16.037 -9.107 -4.772 1.00 72.45 H new ATOM 0 HG22 VAL A 13 16.549 -10.567 -3.892 1.00 72.45 H new ATOM 0 HG23 VAL A 13 16.016 -9.127 -2.992 1.00 72.45 H new ATOM 190 N SER A 14 20.544 -7.915 -2.294 1.00 72.25 N ATOM 191 CA SER A 14 21.927 -7.458 -2.354 1.00 41.33 C ATOM 192 C SER A 14 22.771 -8.138 -1.281 1.00 1.14 C ATOM 193 O SER A 14 23.926 -8.491 -1.515 1.00 30.01 O ATOM 194 CB SER A 14 21.992 -5.939 -2.184 1.00 0.32 C ATOM 195 OG SER A 14 21.524 -5.275 -3.345 1.00 14.22 O ATOM 0 H SER A 14 19.892 -7.236 -1.902 1.00 72.25 H new ATOM 0 HA SER A 14 22.330 -7.725 -3.331 1.00 41.33 H new ATOM 0 HB2 SER A 14 21.393 -5.640 -1.324 1.00 0.32 H new ATOM 0 HB3 SER A 14 23.019 -5.637 -1.977 1.00 0.32 H new ATOM 0 HG SER A 14 20.547 -5.203 -3.309 1.00 14.22 H new ATOM 201 N ASN A 15 22.185 -8.318 -0.102 1.00 15.24 N ATOM 202 CA ASN A 15 22.882 -8.955 1.010 1.00 52.03 C ATOM 203 C ASN A 15 22.762 -10.474 0.928 1.00 14.31 C ATOM 204 O ASN A 15 23.628 -11.204 1.411 1.00 44.45 O ATOM 205 CB ASN A 15 22.320 -8.459 2.343 1.00 12.44 C ATOM 206 CG ASN A 15 22.424 -6.953 2.490 1.00 54.20 C ATOM 207 OD1 ASN A 15 23.376 -6.336 2.012 1.00 11.35 O ATOM 208 ND2 ASN A 15 21.441 -6.354 3.153 1.00 4.04 N ATOM 0 H ASN A 15 21.229 -8.032 0.108 1.00 15.24 H new ATOM 0 HA ASN A 15 23.937 -8.687 0.946 1.00 52.03 H new ATOM 0 HB2 ASN A 15 21.275 -8.758 2.428 1.00 12.44 H new ATOM 0 HB3 ASN A 15 22.856 -8.939 3.161 1.00 12.44 H new ATOM 0 HD21 ASN A 15 21.456 -5.342 3.283 1.00 4.04 H new ATOM 0 HD22 ASN A 15 20.671 -6.906 3.532 1.00 4.04 H new ATOM 215 N THR A 16 21.681 -10.944 0.313 1.00 31.43 N ATOM 216 CA THR A 16 21.446 -12.375 0.168 1.00 22.45 C ATOM 217 C THR A 16 21.077 -12.730 -1.268 1.00 4.44 C ATOM 218 O THR A 16 20.065 -12.265 -1.793 1.00 32.23 O ATOM 219 CB THR A 16 20.326 -12.859 1.108 1.00 12.04 C ATOM 220 OG1 THR A 16 20.885 -13.299 2.351 1.00 33.11 O ATOM 221 CG2 THR A 16 19.537 -13.993 0.471 1.00 30.14 C ATOM 0 H THR A 16 20.954 -10.354 -0.093 1.00 31.43 H new ATOM 0 HA THR A 16 22.377 -12.876 0.435 1.00 22.45 H new ATOM 0 HB THR A 16 19.649 -12.024 1.290 1.00 12.04 H new ATOM 0 HG1 THR A 16 20.166 -13.603 2.943 1.00 33.11 H new ATOM 0 HG21 THR A 16 18.752 -14.318 1.153 1.00 30.14 H new ATOM 0 HG22 THR A 16 19.088 -13.646 -0.460 1.00 30.14 H new ATOM 0 HG23 THR A 16 20.205 -14.829 0.262 1.00 30.14 H new ATOM 229 N THR A 17 21.905 -13.556 -1.900 1.00 30.02 N ATOM 230 CA THR A 17 21.666 -13.972 -3.276 1.00 31.31 C ATOM 231 C THR A 17 21.884 -15.472 -3.443 1.00 3.35 C ATOM 232 O THR A 17 21.861 -15.993 -4.558 1.00 22.41 O ATOM 233 CB THR A 17 22.583 -13.219 -4.258 1.00 20.21 C ATOM 234 OG1 THR A 17 23.721 -12.697 -3.563 1.00 50.12 O ATOM 235 CG2 THR A 17 21.832 -12.084 -4.937 1.00 42.12 C ATOM 0 H THR A 17 22.747 -13.950 -1.480 1.00 30.02 H new ATOM 0 HA THR A 17 20.627 -13.731 -3.503 1.00 31.31 H new ATOM 0 HB THR A 17 22.916 -13.921 -5.022 1.00 20.21 H new ATOM 0 HG1 THR A 17 24.300 -12.221 -4.194 1.00 50.12 H new ATOM 0 HG21 THR A 17 22.500 -11.567 -5.626 1.00 42.12 H new ATOM 0 HG22 THR A 17 20.983 -12.488 -5.489 1.00 42.12 H new ATOM 0 HG23 THR A 17 21.474 -11.383 -4.183 1.00 42.12 H new ATOM 243 N THR A 18 22.096 -16.162 -2.326 1.00 72.12 N ATOM 244 CA THR A 18 22.319 -17.602 -2.349 1.00 33.22 C ATOM 245 C THR A 18 20.999 -18.362 -2.421 1.00 41.32 C ATOM 246 O THR A 18 20.977 -19.562 -2.693 1.00 41.34 O ATOM 247 CB THR A 18 23.099 -18.069 -1.106 1.00 23.42 C ATOM 248 OG1 THR A 18 22.286 -17.930 0.064 1.00 30.05 O ATOM 249 CG2 THR A 18 24.380 -17.266 -0.938 1.00 23.22 C ATOM 0 H THR A 18 22.118 -15.746 -1.395 1.00 72.12 H new ATOM 0 HA THR A 18 22.908 -17.816 -3.241 1.00 33.22 H new ATOM 0 HB THR A 18 23.362 -19.118 -1.242 1.00 23.42 H new ATOM 0 HG1 THR A 18 22.789 -18.231 0.849 1.00 30.05 H new ATOM 0 HG21 THR A 18 24.914 -17.614 -0.054 1.00 23.22 H new ATOM 0 HG22 THR A 18 25.010 -17.398 -1.818 1.00 23.22 H new ATOM 0 HG23 THR A 18 24.135 -16.210 -0.822 1.00 23.22 H new ATOM 257 N MET A 19 19.901 -17.655 -2.177 1.00 14.24 N ATOM 258 CA MET A 19 18.576 -18.264 -2.216 1.00 51.54 C ATOM 259 C MET A 19 18.305 -18.887 -3.582 1.00 11.01 C ATOM 260 O MET A 19 18.985 -18.580 -4.560 1.00 62.24 O ATOM 261 CB MET A 19 17.503 -17.221 -1.896 1.00 74.44 C ATOM 262 CG MET A 19 17.256 -16.236 -3.027 1.00 44.41 C ATOM 263 SD MET A 19 17.454 -14.520 -2.508 1.00 62.13 S ATOM 264 CE MET A 19 17.511 -13.691 -4.095 1.00 23.01 C ATOM 0 H MET A 19 19.902 -16.661 -1.950 1.00 14.24 H new ATOM 0 HA MET A 19 18.542 -19.052 -1.464 1.00 51.54 H new ATOM 0 HB2 MET A 19 16.570 -17.732 -1.660 1.00 74.44 H new ATOM 0 HB3 MET A 19 17.799 -16.670 -1.003 1.00 74.44 H new ATOM 0 HG2 MET A 19 17.946 -16.446 -3.844 1.00 44.41 H new ATOM 0 HG3 MET A 19 16.248 -16.380 -3.416 1.00 44.41 H new ATOM 0 HE1 MET A 19 18.394 -13.054 -4.141 1.00 23.01 H new ATOM 0 HE2 MET A 19 17.557 -14.433 -4.892 1.00 23.01 H new ATOM 0 HE3 MET A 19 16.616 -13.081 -4.219 1.00 23.01 H new ATOM 274 N MET A 20 17.308 -19.763 -3.640 1.00 35.42 N ATOM 275 CA MET A 20 16.947 -20.429 -4.886 1.00 51.24 C ATOM 276 C MET A 20 16.463 -19.419 -5.922 1.00 13.44 C ATOM 277 O MET A 20 15.304 -19.005 -5.904 1.00 73.33 O ATOM 278 CB MET A 20 15.862 -21.478 -4.634 1.00 43.12 C ATOM 279 CG MET A 20 15.560 -22.344 -5.847 1.00 5.43 C ATOM 280 SD MET A 20 14.448 -23.710 -5.465 1.00 15.21 S ATOM 281 CE MET A 20 15.518 -25.113 -5.767 1.00 64.42 C ATOM 0 H MET A 20 16.735 -20.028 -2.839 1.00 35.42 H new ATOM 0 HA MET A 20 17.837 -20.924 -5.275 1.00 51.24 H new ATOM 0 HB2 MET A 20 16.172 -22.119 -3.809 1.00 43.12 H new ATOM 0 HB3 MET A 20 14.947 -20.975 -4.320 1.00 43.12 H new ATOM 0 HG2 MET A 20 15.116 -21.727 -6.628 1.00 5.43 H new ATOM 0 HG3 MET A 20 16.493 -22.741 -6.247 1.00 5.43 H new ATOM 0 HE1 MET A 20 14.971 -26.036 -5.573 1.00 64.42 H new ATOM 0 HE2 MET A 20 15.851 -25.100 -6.805 1.00 64.42 H new ATOM 0 HE3 MET A 20 16.384 -25.059 -5.107 1.00 64.42 H new ATOM 291 N ALA A 21 17.358 -19.025 -6.822 1.00 32.03 N ATOM 292 CA ALA A 21 17.021 -18.065 -7.865 1.00 53.31 C ATOM 293 C ALA A 21 17.278 -18.647 -9.251 1.00 4.42 C ATOM 294 O ALA A 21 18.166 -19.480 -9.429 1.00 63.31 O ATOM 295 CB ALA A 21 17.812 -16.779 -7.675 1.00 31.12 C ATOM 0 H ALA A 21 18.322 -19.356 -6.849 1.00 32.03 H new ATOM 0 HA ALA A 21 15.958 -17.839 -7.786 1.00 53.31 H new ATOM 0 HB1 ALA A 21 17.550 -16.071 -8.461 1.00 31.12 H new ATOM 0 HB2 ALA A 21 17.575 -16.346 -6.703 1.00 31.12 H new ATOM 0 HB3 ALA A 21 18.879 -16.997 -7.724 1.00 31.12 H new ATOM 301 N SER A 22 16.496 -18.202 -10.229 1.00 60.22 N ATOM 302 CA SER A 22 16.637 -18.683 -11.599 1.00 10.43 C ATOM 303 C SER A 22 17.441 -17.696 -12.440 1.00 73.25 C ATOM 304 O SER A 22 17.505 -16.507 -12.130 1.00 71.45 O ATOM 305 CB SER A 22 15.260 -18.904 -12.228 1.00 63.21 C ATOM 306 OG SER A 22 15.351 -19.732 -13.375 1.00 31.14 O ATOM 0 H SER A 22 15.758 -17.510 -10.099 1.00 60.22 H new ATOM 0 HA SER A 22 17.173 -19.632 -11.573 1.00 10.43 H new ATOM 0 HB2 SER A 22 14.592 -19.361 -11.498 1.00 63.21 H new ATOM 0 HB3 SER A 22 14.823 -17.944 -12.502 1.00 63.21 H new ATOM 0 HG SER A 22 14.458 -19.860 -13.758 1.00 31.14 H new ATOM 312 N ASN A 23 18.053 -18.200 -13.507 1.00 54.24 N ATOM 313 CA ASN A 23 18.853 -17.364 -14.395 1.00 23.02 C ATOM 314 C ASN A 23 18.003 -16.260 -15.016 1.00 4.43 C ATOM 315 O ASN A 23 18.526 -15.246 -15.480 1.00 24.42 O ATOM 316 CB ASN A 23 19.488 -18.215 -15.497 1.00 34.34 C ATOM 317 CG ASN A 23 20.495 -17.437 -16.321 1.00 23.24 C ATOM 318 OD1 ASN A 23 21.598 -17.143 -15.858 1.00 35.23 O ATOM 319 ND2 ASN A 23 20.120 -17.100 -17.549 1.00 3.41 N ATOM 0 H ASN A 23 18.010 -19.183 -13.778 1.00 54.24 H new ATOM 0 HA ASN A 23 19.642 -16.901 -13.803 1.00 23.02 H new ATOM 0 HB2 ASN A 23 19.980 -19.078 -15.048 1.00 34.34 H new ATOM 0 HB3 ASN A 23 18.706 -18.599 -16.152 1.00 34.34 H new ATOM 0 HD21 ASN A 23 20.756 -16.576 -18.151 1.00 3.41 H new ATOM 0 HD22 ASN A 23 19.196 -17.365 -17.891 1.00 3.41 H new ATOM 326 N ASP A 24 16.691 -16.463 -15.020 1.00 14.22 N ATOM 327 CA ASP A 24 15.767 -15.484 -15.582 1.00 22.01 C ATOM 328 C ASP A 24 15.226 -14.560 -14.495 1.00 24.42 C ATOM 329 O ASP A 24 14.893 -13.405 -14.758 1.00 14.13 O ATOM 330 CB ASP A 24 14.610 -16.191 -16.290 1.00 43.41 C ATOM 331 CG ASP A 24 14.852 -16.348 -17.778 1.00 50.25 C ATOM 332 OD1 ASP A 24 15.380 -15.400 -18.398 1.00 20.15 O ATOM 333 OD2 ASP A 24 14.514 -17.419 -18.324 1.00 50.32 O ATOM 0 H ASP A 24 16.242 -17.297 -14.640 1.00 14.22 H new ATOM 0 HA ASP A 24 16.313 -14.881 -16.308 1.00 22.01 H new ATOM 0 HB2 ASP A 24 14.461 -17.174 -15.843 1.00 43.41 H new ATOM 0 HB3 ASP A 24 13.691 -15.626 -16.132 1.00 43.41 H new ATOM 338 N ASP A 25 15.142 -15.078 -13.274 1.00 52.13 N ATOM 339 CA ASP A 25 14.641 -14.300 -12.147 1.00 4.21 C ATOM 340 C ASP A 25 15.691 -13.302 -11.667 1.00 32.01 C ATOM 341 O ASP A 25 15.365 -12.179 -11.281 1.00 61.12 O ATOM 342 CB ASP A 25 14.238 -15.227 -10.999 1.00 42.31 C ATOM 343 CG ASP A 25 12.924 -15.936 -11.262 1.00 1.43 C ATOM 344 OD1 ASP A 25 12.253 -15.591 -12.257 1.00 23.30 O ATOM 345 OD2 ASP A 25 12.566 -16.834 -10.472 1.00 20.25 O ATOM 0 H ASP A 25 15.414 -16.033 -13.040 1.00 52.13 H new ATOM 0 HA ASP A 25 13.764 -13.746 -12.481 1.00 4.21 H new ATOM 0 HB2 ASP A 25 15.022 -15.968 -10.842 1.00 42.31 H new ATOM 0 HB3 ASP A 25 14.157 -14.648 -10.079 1.00 42.31 H new ATOM 350 N LYS A 26 16.952 -13.720 -11.692 1.00 51.51 N ATOM 351 CA LYS A 26 18.050 -12.864 -11.260 1.00 5.30 C ATOM 352 C LYS A 26 18.215 -11.674 -12.200 1.00 43.20 C ATOM 353 O LYS A 26 18.905 -10.705 -11.877 1.00 75.31 O ATOM 354 CB LYS A 26 19.354 -13.663 -11.199 1.00 72.52 C ATOM 355 CG LYS A 26 19.286 -14.867 -10.275 1.00 61.34 C ATOM 356 CD LYS A 26 20.472 -14.909 -9.326 1.00 14.33 C ATOM 357 CE LYS A 26 21.633 -15.692 -9.918 1.00 41.11 C ATOM 358 NZ LYS A 26 21.342 -17.151 -9.985 1.00 53.31 N ATOM 0 H LYS A 26 17.239 -14.647 -12.007 1.00 51.51 H new ATOM 0 HA LYS A 26 17.814 -12.488 -10.264 1.00 5.30 H new ATOM 0 HB2 LYS A 26 19.611 -14.000 -12.203 1.00 72.52 H new ATOM 0 HB3 LYS A 26 20.158 -13.006 -10.868 1.00 72.52 H new ATOM 0 HG2 LYS A 26 18.360 -14.834 -9.701 1.00 61.34 H new ATOM 0 HG3 LYS A 26 19.261 -15.781 -10.868 1.00 61.34 H new ATOM 0 HD2 LYS A 26 20.795 -13.893 -9.101 1.00 14.33 H new ATOM 0 HD3 LYS A 26 20.169 -15.364 -8.383 1.00 14.33 H new ATOM 0 HE2 LYS A 26 21.850 -15.319 -10.919 1.00 41.11 H new ATOM 0 HE3 LYS A 26 22.527 -15.527 -9.316 1.00 41.11 H new ATOM 0 HZ1 LYS A 26 22.235 -17.681 -10.047 1.00 53.31 H new ATOM 0 HZ2 LYS A 26 20.825 -17.442 -9.130 1.00 53.31 H new ATOM 0 HZ3 LYS A 26 20.762 -17.351 -10.825 1.00 53.31 H new ATOM 372 N LEU A 27 17.578 -11.752 -13.363 1.00 1.21 N ATOM 373 CA LEU A 27 17.653 -10.680 -14.350 1.00 12.12 C ATOM 374 C LEU A 27 16.504 -9.693 -14.169 1.00 41.35 C ATOM 375 O LEU A 27 16.485 -8.628 -14.788 1.00 53.03 O ATOM 376 CB LEU A 27 17.624 -11.260 -15.765 1.00 5.01 C ATOM 377 CG LEU A 27 17.986 -10.294 -16.894 1.00 23.04 C ATOM 378 CD1 LEU A 27 19.268 -10.735 -17.583 1.00 71.14 C ATOM 379 CD2 LEU A 27 16.846 -10.194 -17.896 1.00 71.12 C ATOM 0 H LEU A 27 17.004 -12.546 -13.646 1.00 1.21 H new ATOM 0 HA LEU A 27 18.592 -10.147 -14.202 1.00 12.12 H new ATOM 0 HB2 LEU A 27 18.310 -12.106 -15.804 1.00 5.01 H new ATOM 0 HB3 LEU A 27 16.625 -11.652 -15.955 1.00 5.01 H new ATOM 0 HG LEU A 27 18.151 -9.307 -16.463 1.00 23.04 H new ATOM 0 HD11 LEU A 27 19.510 -10.036 -18.383 1.00 71.14 H new ATOM 0 HD12 LEU A 27 20.082 -10.753 -16.859 1.00 71.14 H new ATOM 0 HD13 LEU A 27 19.132 -11.732 -18.001 1.00 71.14 H new ATOM 0 HD21 LEU A 27 17.121 -9.502 -18.692 1.00 71.12 H new ATOM 0 HD22 LEU A 27 16.649 -11.178 -18.322 1.00 71.12 H new ATOM 0 HD23 LEU A 27 15.950 -9.830 -17.393 1.00 71.12 H new ATOM 391 N CYS A 28 15.551 -10.052 -13.317 1.00 75.05 N ATOM 392 CA CYS A 28 14.398 -9.197 -13.054 1.00 45.12 C ATOM 393 C CYS A 28 14.729 -8.149 -11.996 1.00 65.25 C ATOM 394 O CYS A 28 14.502 -6.956 -12.197 1.00 0.10 O ATOM 395 CB CYS A 28 13.205 -10.039 -12.600 1.00 4.13 C ATOM 396 SG CYS A 28 12.632 -11.232 -13.831 1.00 51.03 S ATOM 0 H CYS A 28 15.553 -10.929 -12.796 1.00 75.05 H new ATOM 0 HA CYS A 28 14.139 -8.683 -13.980 1.00 45.12 H new ATOM 0 HB2 CYS A 28 13.477 -10.574 -11.690 1.00 4.13 H new ATOM 0 HB3 CYS A 28 12.381 -9.373 -12.344 1.00 4.13 H new ATOM 0 HG CYS A 28 13.607 -12.031 -14.147 1.00 51.03 H new ATOM 402 N PHE A 29 15.266 -8.603 -10.869 1.00 24.41 N ATOM 403 CA PHE A 29 15.626 -7.706 -9.778 1.00 4.43 C ATOM 404 C PHE A 29 16.778 -6.791 -10.183 1.00 43.24 C ATOM 405 O PHE A 29 17.065 -5.800 -9.511 1.00 51.12 O ATOM 406 CB PHE A 29 16.012 -8.509 -8.534 1.00 62.20 C ATOM 407 CG PHE A 29 17.445 -8.960 -8.532 1.00 0.50 C ATOM 408 CD1 PHE A 29 18.444 -8.133 -8.043 1.00 61.31 C ATOM 409 CD2 PHE A 29 17.793 -10.209 -9.020 1.00 10.05 C ATOM 410 CE1 PHE A 29 19.764 -8.545 -8.039 1.00 54.25 C ATOM 411 CE2 PHE A 29 19.111 -10.626 -9.018 1.00 14.00 C ATOM 412 CZ PHE A 29 20.097 -9.792 -8.529 1.00 23.55 C ATOM 0 H PHE A 29 15.462 -9.587 -10.687 1.00 24.41 H new ATOM 0 HA PHE A 29 14.758 -7.089 -9.548 1.00 4.43 H new ATOM 0 HB2 PHE A 29 15.830 -7.901 -7.648 1.00 62.20 H new ATOM 0 HB3 PHE A 29 15.364 -9.383 -8.460 1.00 62.20 H new ATOM 0 HD1 PHE A 29 18.189 -7.156 -7.661 1.00 61.31 H new ATOM 0 HD2 PHE A 29 17.026 -10.864 -9.406 1.00 10.05 H new ATOM 0 HE1 PHE A 29 20.533 -7.892 -7.653 1.00 54.25 H new ATOM 0 HE2 PHE A 29 19.369 -11.603 -9.399 1.00 14.00 H new ATOM 0 HZ PHE A 29 21.128 -10.115 -8.530 1.00 23.55 H new ATOM 422 N TYR A 30 17.435 -7.131 -11.287 1.00 2.13 N ATOM 423 CA TYR A 30 18.558 -6.343 -11.781 1.00 51.03 C ATOM 424 C TYR A 30 18.069 -5.147 -12.592 1.00 13.43 C ATOM 425 O TYR A 30 18.661 -4.068 -12.549 1.00 30.00 O ATOM 426 CB TYR A 30 19.479 -7.212 -12.639 1.00 43.12 C ATOM 427 CG TYR A 30 19.962 -6.525 -13.897 1.00 15.23 C ATOM 428 CD1 TYR A 30 19.217 -6.576 -15.069 1.00 12.12 C ATOM 429 CD2 TYR A 30 21.162 -5.826 -13.913 1.00 51.55 C ATOM 430 CE1 TYR A 30 19.654 -5.950 -16.220 1.00 73.35 C ATOM 431 CE2 TYR A 30 21.606 -5.196 -15.060 1.00 12.30 C ATOM 432 CZ TYR A 30 20.848 -5.261 -16.211 1.00 24.11 C ATOM 433 OH TYR A 30 21.288 -4.636 -17.355 1.00 71.35 O ATOM 0 H TYR A 30 17.209 -7.947 -11.856 1.00 2.13 H new ATOM 0 HA TYR A 30 19.116 -5.973 -10.921 1.00 51.03 H new ATOM 0 HB2 TYR A 30 20.342 -7.510 -12.044 1.00 43.12 H new ATOM 0 HB3 TYR A 30 18.951 -8.125 -12.914 1.00 43.12 H new ATOM 0 HD1 TYR A 30 18.281 -7.114 -15.080 1.00 12.12 H new ATOM 0 HD2 TYR A 30 21.758 -5.774 -13.014 1.00 51.55 H new ATOM 0 HE1 TYR A 30 19.063 -6.000 -17.123 1.00 73.35 H new ATOM 0 HE2 TYR A 30 22.541 -4.656 -15.055 1.00 12.30 H new ATOM 0 HH TYR A 30 20.709 -4.884 -18.106 1.00 71.35 H new ATOM 443 N LYS A 31 16.982 -5.345 -13.330 1.00 62.23 N ATOM 444 CA LYS A 31 16.409 -4.284 -14.150 1.00 64.33 C ATOM 445 C LYS A 31 15.512 -3.376 -13.316 1.00 32.22 C ATOM 446 O LYS A 31 15.313 -2.208 -13.649 1.00 1.40 O ATOM 447 CB LYS A 31 15.610 -4.883 -15.310 1.00 2.01 C ATOM 448 CG LYS A 31 14.550 -5.877 -14.869 1.00 12.13 C ATOM 449 CD LYS A 31 13.709 -6.352 -16.041 1.00 72.55 C ATOM 450 CE LYS A 31 12.316 -6.769 -15.596 1.00 34.14 C ATOM 451 NZ LYS A 31 11.522 -7.342 -16.718 1.00 23.31 N ATOM 0 H LYS A 31 16.480 -6.231 -13.377 1.00 62.23 H new ATOM 0 HA LYS A 31 17.228 -3.687 -14.551 1.00 64.33 H new ATOM 0 HB2 LYS A 31 15.131 -4.076 -15.865 1.00 2.01 H new ATOM 0 HB3 LYS A 31 16.297 -5.378 -15.996 1.00 2.01 H new ATOM 0 HG2 LYS A 31 15.028 -6.733 -14.393 1.00 12.13 H new ATOM 0 HG3 LYS A 31 13.905 -5.415 -14.121 1.00 12.13 H new ATOM 0 HD2 LYS A 31 13.632 -5.556 -16.781 1.00 72.55 H new ATOM 0 HD3 LYS A 31 14.203 -7.193 -16.528 1.00 72.55 H new ATOM 0 HE2 LYS A 31 12.396 -7.504 -14.795 1.00 34.14 H new ATOM 0 HE3 LYS A 31 11.793 -5.906 -15.185 1.00 34.14 H new ATOM 0 HZ1 LYS A 31 10.529 -7.047 -16.626 1.00 23.31 H new ATOM 0 HZ2 LYS A 31 11.903 -6.999 -17.623 1.00 23.31 H new ATOM 0 HZ3 LYS A 31 11.579 -8.380 -16.689 1.00 23.31 H new ATOM 465 N TYR A 32 14.974 -3.920 -12.230 1.00 74.11 N ATOM 466 CA TYR A 32 14.096 -3.159 -11.348 1.00 45.25 C ATOM 467 C TYR A 32 14.881 -2.098 -10.583 1.00 22.04 C ATOM 468 O TYR A 32 14.422 -0.967 -10.419 1.00 21.42 O ATOM 469 CB TYR A 32 13.389 -4.094 -10.366 1.00 63.23 C ATOM 470 CG TYR A 32 12.447 -5.071 -11.032 1.00 62.53 C ATOM 471 CD1 TYR A 32 11.753 -4.723 -12.184 1.00 51.21 C ATOM 472 CD2 TYR A 32 12.252 -6.344 -10.510 1.00 63.30 C ATOM 473 CE1 TYR A 32 10.891 -5.612 -12.795 1.00 73.33 C ATOM 474 CE2 TYR A 32 11.393 -7.241 -11.115 1.00 41.14 C ATOM 475 CZ TYR A 32 10.714 -6.870 -12.257 1.00 63.14 C ATOM 476 OH TYR A 32 9.857 -7.760 -12.864 1.00 44.41 O ATOM 0 H TYR A 32 15.130 -4.885 -11.939 1.00 74.11 H new ATOM 0 HA TYR A 32 13.349 -2.659 -11.964 1.00 45.25 H new ATOM 0 HB2 TYR A 32 14.139 -4.651 -9.804 1.00 63.23 H new ATOM 0 HB3 TYR A 32 12.830 -3.496 -9.646 1.00 63.23 H new ATOM 0 HD1 TYR A 32 11.890 -3.740 -12.609 1.00 51.21 H new ATOM 0 HD2 TYR A 32 12.781 -6.637 -9.615 1.00 63.30 H new ATOM 0 HE1 TYR A 32 10.358 -5.324 -13.689 1.00 73.33 H new ATOM 0 HE2 TYR A 32 11.254 -8.227 -10.696 1.00 41.14 H new ATOM 0 HH TYR A 32 9.847 -8.600 -12.360 1.00 44.41 H new ATOM 486 N TYR A 33 16.068 -2.471 -10.116 1.00 74.33 N ATOM 487 CA TYR A 33 16.917 -1.554 -9.366 1.00 40.00 C ATOM 488 C TYR A 33 17.426 -0.428 -10.261 1.00 2.24 C ATOM 489 O TYR A 33 17.789 0.647 -9.781 1.00 73.23 O ATOM 490 CB TYR A 33 18.099 -2.306 -8.752 1.00 72.51 C ATOM 491 CG TYR A 33 19.020 -1.427 -7.937 1.00 55.52 C ATOM 492 CD1 TYR A 33 20.034 -0.697 -8.546 1.00 31.42 C ATOM 493 CD2 TYR A 33 18.876 -1.325 -6.559 1.00 41.11 C ATOM 494 CE1 TYR A 33 20.878 0.107 -7.805 1.00 41.44 C ATOM 495 CE2 TYR A 33 19.715 -0.521 -5.811 1.00 33.50 C ATOM 496 CZ TYR A 33 20.714 0.192 -6.439 1.00 2.44 C ATOM 497 OH TYR A 33 21.552 0.993 -5.697 1.00 25.33 O ATOM 0 H TYR A 33 16.463 -3.402 -10.244 1.00 74.33 H new ATOM 0 HA TYR A 33 16.319 -1.117 -8.567 1.00 40.00 H new ATOM 0 HB2 TYR A 33 17.719 -3.106 -8.117 1.00 72.51 H new ATOM 0 HB3 TYR A 33 18.673 -2.777 -9.550 1.00 72.51 H new ATOM 0 HD1 TYR A 33 20.164 -0.759 -9.616 1.00 31.42 H new ATOM 0 HD2 TYR A 33 18.095 -1.883 -6.064 1.00 41.11 H new ATOM 0 HE1 TYR A 33 21.662 0.666 -8.293 1.00 41.44 H new ATOM 0 HE2 TYR A 33 19.589 -0.452 -4.741 1.00 33.50 H new ATOM 0 HH TYR A 33 21.301 0.941 -4.751 1.00 25.33 H new ATOM 507 N LYS A 34 17.450 -0.682 -11.565 1.00 11.15 N ATOM 508 CA LYS A 34 17.912 0.309 -12.529 1.00 61.12 C ATOM 509 C LYS A 34 16.780 1.251 -12.927 1.00 30.15 C ATOM 510 O LYS A 34 16.986 2.455 -13.075 1.00 24.03 O ATOM 511 CB LYS A 34 18.474 -0.383 -13.773 1.00 71.40 C ATOM 512 CG LYS A 34 19.745 -1.172 -13.508 1.00 50.45 C ATOM 513 CD LYS A 34 20.839 -0.288 -12.934 1.00 25.24 C ATOM 514 CE LYS A 34 21.146 0.887 -13.850 1.00 21.43 C ATOM 515 NZ LYS A 34 22.576 1.296 -13.767 1.00 74.35 N ATOM 0 H LYS A 34 17.155 -1.566 -11.978 1.00 11.15 H new ATOM 0 HA LYS A 34 18.701 0.896 -12.059 1.00 61.12 H new ATOM 0 HB2 LYS A 34 17.717 -1.055 -14.178 1.00 71.40 H new ATOM 0 HB3 LYS A 34 18.675 0.368 -14.537 1.00 71.40 H new ATOM 0 HG2 LYS A 34 19.532 -1.985 -12.815 1.00 50.45 H new ATOM 0 HG3 LYS A 34 20.092 -1.627 -14.436 1.00 50.45 H new ATOM 0 HD2 LYS A 34 20.533 0.083 -11.956 1.00 25.24 H new ATOM 0 HD3 LYS A 34 21.743 -0.878 -12.783 1.00 25.24 H new ATOM 0 HE2 LYS A 34 20.904 0.619 -14.878 1.00 21.43 H new ATOM 0 HE3 LYS A 34 20.511 1.731 -13.583 1.00 21.43 H new ATOM 0 HZ1 LYS A 34 22.745 2.099 -14.406 1.00 74.35 H new ATOM 0 HZ2 LYS A 34 22.801 1.576 -12.791 1.00 74.35 H new ATOM 0 HZ3 LYS A 34 23.182 0.498 -14.046 1.00 74.35 H new ATOM 529 N GLN A 35 15.585 0.694 -13.096 1.00 10.23 N ATOM 530 CA GLN A 35 14.421 1.486 -13.475 1.00 12.01 C ATOM 531 C GLN A 35 13.857 2.236 -12.272 1.00 62.32 C ATOM 532 O GLN A 35 13.313 3.331 -12.410 1.00 64.05 O ATOM 533 CB GLN A 35 13.342 0.587 -14.082 1.00 1.21 C ATOM 534 CG GLN A 35 13.152 0.789 -15.577 1.00 1.35 C ATOM 535 CD GLN A 35 13.977 -0.175 -16.405 1.00 63.24 C ATOM 536 OE1 GLN A 35 14.274 -1.288 -15.971 1.00 23.42 O ATOM 537 NE2 GLN A 35 14.353 0.248 -17.607 1.00 33.32 N ATOM 0 H GLN A 35 15.398 -0.302 -12.977 1.00 10.23 H new ATOM 0 HA GLN A 35 14.737 2.216 -14.220 1.00 12.01 H new ATOM 0 HB2 GLN A 35 13.601 -0.455 -13.895 1.00 1.21 H new ATOM 0 HB3 GLN A 35 12.396 0.776 -13.575 1.00 1.21 H new ATOM 0 HG2 GLN A 35 12.098 0.665 -15.825 1.00 1.35 H new ATOM 0 HG3 GLN A 35 13.423 1.812 -15.839 1.00 1.35 H new ATOM 0 HE21 GLN A 35 14.085 1.178 -17.927 1.00 33.32 H new ATOM 0 HE22 GLN A 35 14.910 -0.358 -18.210 1.00 33.32 H new ATOM 546 N ALA A 36 13.991 1.638 -11.093 1.00 34.22 N ATOM 547 CA ALA A 36 13.496 2.250 -9.866 1.00 22.22 C ATOM 548 C ALA A 36 14.484 3.280 -9.330 1.00 11.53 C ATOM 549 O ALA A 36 14.177 4.024 -8.397 1.00 24.21 O ATOM 550 CB ALA A 36 13.223 1.182 -8.817 1.00 13.43 C ATOM 0 H ALA A 36 14.438 0.731 -10.961 1.00 34.22 H new ATOM 0 HA ALA A 36 12.563 2.765 -10.096 1.00 22.22 H new ATOM 0 HB1 ALA A 36 12.854 1.653 -7.906 1.00 13.43 H new ATOM 0 HB2 ALA A 36 12.475 0.485 -9.194 1.00 13.43 H new ATOM 0 HB3 ALA A 36 14.145 0.642 -8.599 1.00 13.43 H new ATOM 556 N THR A 37 15.672 3.320 -9.925 1.00 23.05 N ATOM 557 CA THR A 37 16.706 4.258 -9.506 1.00 11.05 C ATOM 558 C THR A 37 16.964 5.308 -10.580 1.00 52.11 C ATOM 559 O THR A 37 16.926 6.509 -10.311 1.00 32.21 O ATOM 560 CB THR A 37 18.027 3.533 -9.185 1.00 75.42 C ATOM 561 OG1 THR A 37 17.833 2.619 -8.099 1.00 51.45 O ATOM 562 CG2 THR A 37 19.119 4.529 -8.828 1.00 15.55 C ATOM 0 H THR A 37 15.942 2.713 -10.699 1.00 23.05 H new ATOM 0 HA THR A 37 16.341 4.748 -8.603 1.00 11.05 H new ATOM 0 HB THR A 37 18.338 2.981 -10.072 1.00 75.42 H new ATOM 0 HG1 THR A 37 17.771 1.705 -8.448 1.00 51.45 H new ATOM 0 HG21 THR A 37 20.042 3.993 -8.605 1.00 15.55 H new ATOM 0 HG22 THR A 37 19.285 5.204 -9.668 1.00 15.55 H new ATOM 0 HG23 THR A 37 18.814 5.105 -7.954 1.00 15.55 H new ATOM 570 N VAL A 38 17.226 4.848 -11.800 1.00 12.35 N ATOM 571 CA VAL A 38 17.488 5.749 -12.916 1.00 22.41 C ATOM 572 C VAL A 38 16.192 6.167 -13.601 1.00 1.11 C ATOM 573 O VAL A 38 15.804 7.334 -13.558 1.00 73.44 O ATOM 574 CB VAL A 38 18.418 5.097 -13.956 1.00 63.51 C ATOM 575 CG1 VAL A 38 18.672 6.047 -15.116 1.00 41.21 C ATOM 576 CG2 VAL A 38 19.727 4.672 -13.308 1.00 23.12 C ATOM 0 H VAL A 38 17.262 3.857 -12.040 1.00 12.35 H new ATOM 0 HA VAL A 38 17.978 6.631 -12.503 1.00 22.41 H new ATOM 0 HB VAL A 38 17.927 4.206 -14.348 1.00 63.51 H new ATOM 0 HG11 VAL A 38 19.331 5.569 -15.840 1.00 41.21 H new ATOM 0 HG12 VAL A 38 17.726 6.297 -15.596 1.00 41.21 H new ATOM 0 HG13 VAL A 38 19.142 6.958 -14.744 1.00 41.21 H new ATOM 0 HG21 VAL A 38 20.372 4.213 -14.057 1.00 23.12 H new ATOM 0 HG22 VAL A 38 20.225 5.545 -12.887 1.00 23.12 H new ATOM 0 HG23 VAL A 38 19.524 3.952 -12.515 1.00 23.12 H new ATOM 586 N GLY A 39 15.525 5.205 -14.233 1.00 5.45 N ATOM 587 CA GLY A 39 14.279 5.494 -14.918 1.00 21.33 C ATOM 588 C GLY A 39 14.108 4.672 -16.180 1.00 31.11 C ATOM 589 O GLY A 39 13.079 4.023 -16.371 1.00 64.04 O ATOM 0 H GLY A 39 15.826 4.232 -14.282 1.00 5.45 H new ATOM 0 HA2 GLY A 39 13.444 5.299 -14.245 1.00 21.33 H new ATOM 0 HA3 GLY A 39 14.244 6.554 -15.171 1.00 21.33 H new ATOM 593 N ASP A 40 15.117 4.700 -17.044 1.00 13.43 N ATOM 594 CA ASP A 40 15.073 3.953 -18.295 1.00 61.31 C ATOM 595 C ASP A 40 16.481 3.604 -18.769 1.00 34.11 C ATOM 596 O ASP A 40 17.466 4.156 -18.278 1.00 40.45 O ATOM 597 CB ASP A 40 14.345 4.760 -19.371 1.00 34.40 C ATOM 598 CG ASP A 40 15.202 5.874 -19.939 1.00 71.40 C ATOM 599 OD1 ASP A 40 15.949 5.614 -20.906 1.00 34.20 O ATOM 600 OD2 ASP A 40 15.125 7.005 -19.417 1.00 44.32 O ATOM 0 H ASP A 40 15.975 5.232 -16.901 1.00 13.43 H new ATOM 0 HA ASP A 40 14.528 3.026 -18.117 1.00 61.31 H new ATOM 0 HB2 ASP A 40 14.040 4.093 -20.177 1.00 34.40 H new ATOM 0 HB3 ASP A 40 13.435 5.185 -18.948 1.00 34.40 H new ATOM 605 N CYS A 41 16.567 2.684 -19.723 1.00 53.35 N ATOM 606 CA CYS A 41 17.854 2.260 -20.263 1.00 1.15 C ATOM 607 C CYS A 41 18.358 3.249 -21.309 1.00 73.30 C ATOM 608 O CYS A 41 17.580 3.780 -22.100 1.00 12.41 O ATOM 609 CB CYS A 41 17.738 0.864 -20.876 1.00 64.01 C ATOM 610 SG CYS A 41 19.234 0.304 -21.724 1.00 51.23 S ATOM 0 H CYS A 41 15.761 2.217 -20.139 1.00 53.35 H new ATOM 0 HA CYS A 41 18.572 2.230 -19.443 1.00 1.15 H new ATOM 0 HB2 CYS A 41 17.492 0.152 -20.088 1.00 64.01 H new ATOM 0 HB3 CYS A 41 16.908 0.857 -21.583 1.00 64.01 H new ATOM 0 HG CYS A 41 20.100 -0.112 -20.848 1.00 51.23 H new ATOM 616 N ASN A 42 19.664 3.491 -21.306 1.00 5.10 N ATOM 617 CA ASN A 42 20.272 4.418 -22.254 1.00 1.11 C ATOM 618 C ASN A 42 21.779 4.197 -22.341 1.00 62.00 C ATOM 619 O ASN A 42 22.549 5.145 -22.499 1.00 60.45 O ATOM 620 CB ASN A 42 19.980 5.863 -21.845 1.00 2.15 C ATOM 621 CG ASN A 42 20.667 6.247 -20.548 1.00 33.41 C ATOM 622 OD1 ASN A 42 21.778 6.776 -20.554 1.00 40.40 O ATOM 623 ND2 ASN A 42 20.006 5.980 -19.427 1.00 60.33 N ATOM 0 H ASN A 42 20.322 3.058 -20.658 1.00 5.10 H new ATOM 0 HA ASN A 42 19.838 4.231 -23.236 1.00 1.11 H new ATOM 0 HB2 ASN A 42 20.306 6.535 -22.639 1.00 2.15 H new ATOM 0 HB3 ASN A 42 18.904 5.997 -21.736 1.00 2.15 H new ATOM 0 HD21 ASN A 42 20.418 6.215 -18.524 1.00 60.33 H new ATOM 0 HD22 ASN A 42 19.087 5.540 -19.469 1.00 60.33 H new ATOM 630 N LYS A 43 22.194 2.939 -22.237 1.00 30.01 N ATOM 631 CA LYS A 43 23.608 2.591 -22.306 1.00 3.03 C ATOM 632 C LYS A 43 23.933 1.893 -23.622 1.00 64.23 C ATOM 633 O LYS A 43 23.069 1.302 -24.270 1.00 15.34 O ATOM 634 CB LYS A 43 23.990 1.689 -21.130 1.00 4.11 C ATOM 635 CG LYS A 43 24.031 2.414 -19.796 1.00 23.24 C ATOM 636 CD LYS A 43 25.091 3.503 -19.785 1.00 55.30 C ATOM 637 CE LYS A 43 25.195 4.166 -18.420 1.00 30.21 C ATOM 638 NZ LYS A 43 25.642 5.583 -18.524 1.00 32.43 N ATOM 0 H LYS A 43 21.570 2.143 -22.104 1.00 30.01 H new ATOM 0 HA LYS A 43 24.187 3.513 -22.252 1.00 3.03 H new ATOM 0 HB2 LYS A 43 23.276 0.868 -21.066 1.00 4.11 H new ATOM 0 HB3 LYS A 43 24.967 1.247 -21.324 1.00 4.11 H new ATOM 0 HG2 LYS A 43 23.055 2.853 -19.589 1.00 23.24 H new ATOM 0 HG3 LYS A 43 24.234 1.699 -18.999 1.00 23.24 H new ATOM 0 HD2 LYS A 43 26.056 3.076 -20.058 1.00 55.30 H new ATOM 0 HD3 LYS A 43 24.851 4.254 -20.538 1.00 55.30 H new ATOM 0 HE2 LYS A 43 24.226 4.126 -17.922 1.00 30.21 H new ATOM 0 HE3 LYS A 43 25.896 3.609 -17.798 1.00 30.21 H new ATOM 0 HZ1 LYS A 43 25.700 5.999 -17.573 1.00 32.43 H new ATOM 0 HZ2 LYS A 43 26.578 5.619 -18.976 1.00 32.43 H new ATOM 0 HZ3 LYS A 43 24.960 6.121 -19.096 1.00 32.43 H new ATOM 652 N PRO A 44 25.210 1.959 -24.029 1.00 11.12 N ATOM 653 CA PRO A 44 25.679 1.337 -25.271 1.00 35.14 C ATOM 654 C PRO A 44 25.680 -0.186 -25.191 1.00 44.12 C ATOM 655 O PRO A 44 25.805 -0.762 -24.110 1.00 42.41 O ATOM 656 CB PRO A 44 27.107 1.867 -25.416 1.00 24.45 C ATOM 657 CG PRO A 44 27.534 2.190 -24.025 1.00 41.44 C ATOM 658 CD PRO A 44 26.294 2.646 -23.307 1.00 41.22 C ATOM 0 HA PRO A 44 25.034 1.576 -26.116 1.00 35.14 H new ATOM 0 HB2 PRO A 44 27.762 1.122 -25.868 1.00 24.45 H new ATOM 0 HB3 PRO A 44 27.139 2.749 -26.055 1.00 24.45 H new ATOM 0 HG2 PRO A 44 27.969 1.317 -23.538 1.00 41.44 H new ATOM 0 HG3 PRO A 44 28.296 2.969 -24.022 1.00 41.44 H new ATOM 0 HD2 PRO A 44 26.314 2.368 -22.253 1.00 41.22 H new ATOM 0 HD3 PRO A 44 26.181 3.729 -23.348 1.00 41.22 H new ATOM 666 N LYS A 45 25.542 -0.834 -26.343 1.00 12.12 N ATOM 667 CA LYS A 45 25.529 -2.291 -26.405 1.00 1.41 C ATOM 668 C LYS A 45 26.807 -2.872 -25.808 1.00 11.31 C ATOM 669 O LYS A 45 27.913 -2.396 -26.065 1.00 11.24 O ATOM 670 CB LYS A 45 25.372 -2.759 -27.853 1.00 53.55 C ATOM 671 CG LYS A 45 25.321 -4.269 -28.003 1.00 21.24 C ATOM 672 CD LYS A 45 23.892 -4.785 -27.970 1.00 22.20 C ATOM 673 CE LYS A 45 23.837 -6.288 -28.195 1.00 22.54 C ATOM 674 NZ LYS A 45 24.627 -7.031 -27.174 1.00 21.13 N ATOM 0 H LYS A 45 25.438 -0.373 -27.247 1.00 12.12 H new ATOM 0 HA LYS A 45 24.681 -2.647 -25.820 1.00 1.41 H new ATOM 0 HB2 LYS A 45 24.460 -2.330 -28.267 1.00 53.55 H new ATOM 0 HB3 LYS A 45 26.203 -2.372 -28.443 1.00 53.55 H new ATOM 0 HG2 LYS A 45 25.792 -4.558 -28.943 1.00 21.24 H new ATOM 0 HG3 LYS A 45 25.895 -4.735 -27.202 1.00 21.24 H new ATOM 0 HD2 LYS A 45 23.439 -4.543 -27.009 1.00 22.20 H new ATOM 0 HD3 LYS A 45 23.304 -4.280 -28.736 1.00 22.20 H new ATOM 0 HE2 LYS A 45 22.800 -6.622 -28.165 1.00 22.54 H new ATOM 0 HE3 LYS A 45 24.218 -6.521 -29.189 1.00 22.54 H new ATOM 0 HZ1 LYS A 45 24.620 -8.046 -27.401 1.00 21.13 H new ATOM 0 HZ2 LYS A 45 25.607 -6.683 -27.173 1.00 21.13 H new ATOM 0 HZ3 LYS A 45 24.206 -6.884 -26.235 1.00 21.13 H new ATOM 688 N PRO A 46 26.654 -3.926 -24.993 1.00 61.21 N ATOM 689 CA PRO A 46 27.785 -4.596 -24.345 1.00 4.03 C ATOM 690 C PRO A 46 28.651 -5.365 -25.338 1.00 14.54 C ATOM 691 O PRO A 46 28.547 -5.168 -26.548 1.00 24.13 O ATOM 692 CB PRO A 46 27.112 -5.560 -23.364 1.00 44.41 C ATOM 693 CG PRO A 46 25.768 -5.819 -23.950 1.00 54.14 C ATOM 694 CD PRO A 46 25.365 -4.546 -24.642 1.00 62.05 C ATOM 0 HA PRO A 46 28.461 -3.885 -23.870 1.00 4.03 H new ATOM 0 HB2 PRO A 46 27.683 -6.483 -23.261 1.00 44.41 H new ATOM 0 HB3 PRO A 46 27.032 -5.121 -22.369 1.00 44.41 H new ATOM 0 HG2 PRO A 46 25.803 -6.651 -24.653 1.00 54.14 H new ATOM 0 HG3 PRO A 46 25.049 -6.086 -23.175 1.00 54.14 H new ATOM 0 HD2 PRO A 46 24.760 -4.744 -25.527 1.00 62.05 H new ATOM 0 HD3 PRO A 46 24.774 -3.903 -23.989 1.00 62.05 H new ATOM 702 N GLY A 47 29.504 -6.241 -24.817 1.00 61.43 N ATOM 703 CA GLY A 47 30.375 -7.027 -25.673 1.00 14.52 C ATOM 704 C GLY A 47 29.607 -7.803 -26.724 1.00 63.32 C ATOM 705 O GLY A 47 28.383 -7.711 -26.803 1.00 52.53 O ATOM 0 H GLY A 47 29.608 -6.421 -23.818 1.00 61.43 H new ATOM 0 HA2 GLY A 47 31.090 -6.366 -26.164 1.00 14.52 H new ATOM 0 HA3 GLY A 47 30.951 -7.722 -25.061 1.00 14.52 H new ATOM 709 N MET A 48 30.329 -8.570 -27.535 1.00 71.11 N ATOM 710 CA MET A 48 29.708 -9.366 -28.588 1.00 14.34 C ATOM 711 C MET A 48 30.053 -10.843 -28.428 1.00 14.11 C ATOM 712 O MET A 48 29.903 -11.630 -29.363 1.00 65.43 O ATOM 713 CB MET A 48 30.157 -8.871 -29.963 1.00 45.35 C ATOM 714 CG MET A 48 29.009 -8.425 -30.854 1.00 43.03 C ATOM 715 SD MET A 48 28.107 -7.020 -30.174 1.00 4.32 S ATOM 716 CE MET A 48 26.429 -7.645 -30.209 1.00 64.20 C ATOM 0 H MET A 48 31.344 -8.657 -27.483 1.00 71.11 H new ATOM 0 HA MET A 48 28.627 -9.253 -28.505 1.00 14.34 H new ATOM 0 HB2 MET A 48 30.849 -8.039 -29.832 1.00 45.35 H new ATOM 0 HB3 MET A 48 30.707 -9.667 -30.465 1.00 45.35 H new ATOM 0 HG2 MET A 48 29.399 -8.160 -31.837 1.00 43.03 H new ATOM 0 HG3 MET A 48 28.321 -9.258 -30.998 1.00 43.03 H new ATOM 0 HE1 MET A 48 25.756 -6.860 -30.554 1.00 64.20 H new ATOM 0 HE2 MET A 48 26.372 -8.496 -30.888 1.00 64.20 H new ATOM 0 HE3 MET A 48 26.137 -7.960 -29.207 1.00 64.20 H new ATOM 726 N LEU A 49 30.514 -11.213 -27.238 1.00 44.35 N ATOM 727 CA LEU A 49 30.881 -12.596 -26.956 1.00 61.25 C ATOM 728 C LEU A 49 30.148 -13.113 -25.723 1.00 30.22 C ATOM 729 O LEU A 49 30.287 -14.277 -25.349 1.00 64.54 O ATOM 730 CB LEU A 49 32.393 -12.712 -26.752 1.00 35.44 C ATOM 731 CG LEU A 49 33.041 -11.617 -25.905 1.00 43.43 C ATOM 732 CD1 LEU A 49 33.144 -10.322 -26.696 1.00 52.41 C ATOM 733 CD2 LEU A 49 32.255 -11.399 -24.621 1.00 53.50 C ATOM 0 H LEU A 49 30.642 -10.574 -26.453 1.00 44.35 H new ATOM 0 HA LEU A 49 30.589 -13.205 -27.811 1.00 61.25 H new ATOM 0 HB2 LEU A 49 32.604 -13.675 -26.288 1.00 35.44 H new ATOM 0 HB3 LEU A 49 32.872 -12.718 -27.731 1.00 35.44 H new ATOM 0 HG LEU A 49 34.048 -11.938 -25.639 1.00 43.43 H new ATOM 0 HD11 LEU A 49 33.608 -9.554 -26.077 1.00 52.41 H new ATOM 0 HD12 LEU A 49 33.751 -10.487 -27.586 1.00 52.41 H new ATOM 0 HD13 LEU A 49 32.147 -9.996 -26.992 1.00 52.41 H new ATOM 0 HD21 LEU A 49 32.732 -10.616 -24.031 1.00 53.50 H new ATOM 0 HD22 LEU A 49 31.236 -11.100 -24.865 1.00 53.50 H new ATOM 0 HD23 LEU A 49 32.234 -12.325 -24.046 1.00 53.50 H new ATOM 745 N GLN A 50 29.366 -12.240 -25.096 1.00 51.03 N ATOM 746 CA GLN A 50 28.610 -12.610 -23.906 1.00 13.54 C ATOM 747 C GLN A 50 27.142 -12.848 -24.245 1.00 40.40 C ATOM 748 O GLN A 50 26.577 -12.177 -25.110 1.00 1.31 O ATOM 749 CB GLN A 50 28.729 -11.518 -22.841 1.00 13.31 C ATOM 750 CG GLN A 50 29.707 -11.857 -21.728 1.00 62.02 C ATOM 751 CD GLN A 50 29.401 -11.123 -20.438 1.00 11.23 C ATOM 752 OE1 GLN A 50 29.475 -11.697 -19.351 1.00 3.32 O ATOM 753 NE2 GLN A 50 29.054 -9.846 -20.551 1.00 21.04 N ATOM 0 H GLN A 50 29.240 -11.272 -25.392 1.00 51.03 H new ATOM 0 HA GLN A 50 29.028 -13.537 -23.515 1.00 13.54 H new ATOM 0 HB2 GLN A 50 29.042 -10.589 -23.318 1.00 13.31 H new ATOM 0 HB3 GLN A 50 27.746 -11.337 -22.407 1.00 13.31 H new ATOM 0 HG2 GLN A 50 29.684 -12.931 -21.544 1.00 62.02 H new ATOM 0 HG3 GLN A 50 30.718 -11.610 -22.051 1.00 62.02 H new ATOM 0 HE21 GLN A 50 29.005 -9.410 -21.472 1.00 21.04 H new ATOM 0 HE22 GLN A 50 28.836 -9.301 -19.717 1.00 21.04 H new ATOM 762 N LEU A 51 26.530 -13.807 -23.559 1.00 54.55 N ATOM 763 CA LEU A 51 25.126 -14.134 -23.788 1.00 45.23 C ATOM 764 C LEU A 51 24.222 -13.341 -22.850 1.00 23.22 C ATOM 765 O LEU A 51 23.343 -12.605 -23.296 1.00 34.23 O ATOM 766 CB LEU A 51 24.894 -15.633 -23.594 1.00 32.15 C ATOM 767 CG LEU A 51 25.699 -16.561 -24.504 1.00 32.10 C ATOM 768 CD1 LEU A 51 26.088 -17.831 -23.763 1.00 11.45 C ATOM 769 CD2 LEU A 51 24.906 -16.896 -25.759 1.00 42.01 C ATOM 0 H LEU A 51 26.983 -14.372 -22.840 1.00 54.55 H new ATOM 0 HA LEU A 51 24.878 -13.864 -24.814 1.00 45.23 H new ATOM 0 HB2 LEU A 51 25.123 -15.884 -22.558 1.00 32.15 H new ATOM 0 HB3 LEU A 51 23.834 -15.839 -23.745 1.00 32.15 H new ATOM 0 HG LEU A 51 26.612 -16.044 -24.801 1.00 32.10 H new ATOM 0 HD11 LEU A 51 26.660 -18.479 -24.427 1.00 11.45 H new ATOM 0 HD12 LEU A 51 26.695 -17.574 -22.895 1.00 11.45 H new ATOM 0 HD13 LEU A 51 25.188 -18.351 -23.435 1.00 11.45 H new ATOM 0 HD21 LEU A 51 25.494 -17.557 -26.395 1.00 42.01 H new ATOM 0 HD22 LEU A 51 23.977 -17.393 -25.480 1.00 42.01 H new ATOM 0 HD23 LEU A 51 24.679 -15.978 -26.301 1.00 42.01 H new ATOM 781 N GLN A 52 24.447 -13.496 -21.549 1.00 43.10 N ATOM 782 CA GLN A 52 23.653 -12.793 -20.548 1.00 44.01 C ATOM 783 C GLN A 52 23.611 -11.297 -20.840 1.00 1.45 C ATOM 784 O GLN A 52 22.593 -10.641 -20.619 1.00 45.11 O ATOM 785 CB GLN A 52 24.225 -13.036 -19.150 1.00 71.53 C ATOM 786 CG GLN A 52 25.735 -12.875 -19.074 1.00 34.43 C ATOM 787 CD GLN A 52 26.453 -14.195 -18.868 1.00 15.32 C ATOM 788 OE1 GLN A 52 26.370 -14.799 -17.798 1.00 74.54 O ATOM 789 NE2 GLN A 52 27.163 -14.649 -19.894 1.00 11.23 N ATOM 0 H GLN A 52 25.172 -14.102 -21.164 1.00 43.10 H new ATOM 0 HA GLN A 52 22.635 -13.182 -20.589 1.00 44.01 H new ATOM 0 HB2 GLN A 52 23.758 -12.343 -18.450 1.00 71.53 H new ATOM 0 HB3 GLN A 52 23.959 -14.042 -18.827 1.00 71.53 H new ATOM 0 HG2 GLN A 52 26.094 -12.410 -19.992 1.00 34.43 H new ATOM 0 HG3 GLN A 52 25.984 -12.199 -18.256 1.00 34.43 H new ATOM 0 HE21 GLN A 52 27.204 -14.115 -20.762 1.00 11.23 H new ATOM 0 HE22 GLN A 52 27.668 -15.532 -19.814 1.00 11.23 H new ATOM 798 N GLU A 53 24.723 -10.763 -21.336 1.00 23.54 N ATOM 799 CA GLU A 53 24.812 -9.344 -21.656 1.00 3.44 C ATOM 800 C GLU A 53 23.625 -8.902 -22.507 1.00 31.34 C ATOM 801 O GLU A 53 23.095 -7.805 -22.332 1.00 41.33 O ATOM 802 CB GLU A 53 26.120 -9.045 -22.391 1.00 42.05 C ATOM 803 CG GLU A 53 26.077 -9.385 -23.872 1.00 10.22 C ATOM 804 CD GLU A 53 27.433 -9.258 -24.539 1.00 73.22 C ATOM 805 OE1 GLU A 53 28.302 -8.552 -23.986 1.00 71.40 O ATOM 806 OE2 GLU A 53 27.624 -9.864 -25.614 1.00 24.20 O ATOM 0 H GLU A 53 25.574 -11.292 -21.525 1.00 23.54 H new ATOM 0 HA GLU A 53 24.794 -8.785 -20.720 1.00 3.44 H new ATOM 0 HB2 GLU A 53 26.358 -7.988 -22.276 1.00 42.05 H new ATOM 0 HB3 GLU A 53 26.928 -9.606 -21.921 1.00 42.05 H new ATOM 0 HG2 GLU A 53 25.709 -10.403 -23.997 1.00 10.22 H new ATOM 0 HG3 GLU A 53 25.367 -8.726 -24.372 1.00 10.22 H new ATOM 813 N LYS A 54 23.212 -9.765 -23.429 1.00 21.45 N ATOM 814 CA LYS A 54 22.087 -9.467 -24.307 1.00 65.34 C ATOM 815 C LYS A 54 20.781 -9.416 -23.521 1.00 63.22 C ATOM 816 O LYS A 54 19.973 -8.504 -23.700 1.00 24.52 O ATOM 817 CB LYS A 54 21.987 -10.518 -25.416 1.00 3.14 C ATOM 818 CG LYS A 54 22.976 -10.303 -26.548 1.00 62.34 C ATOM 819 CD LYS A 54 24.172 -11.233 -26.428 1.00 41.12 C ATOM 820 CE LYS A 54 23.824 -12.648 -26.865 1.00 43.21 C ATOM 821 NZ LYS A 54 23.376 -12.696 -28.284 1.00 51.43 N ATOM 0 H LYS A 54 23.640 -10.677 -23.588 1.00 21.45 H new ATOM 0 HA LYS A 54 22.258 -8.489 -24.756 1.00 65.34 H new ATOM 0 HB2 LYS A 54 22.150 -11.506 -24.985 1.00 3.14 H new ATOM 0 HB3 LYS A 54 20.975 -10.511 -25.822 1.00 3.14 H new ATOM 0 HG2 LYS A 54 22.479 -10.470 -27.503 1.00 62.34 H new ATOM 0 HG3 LYS A 54 23.317 -9.268 -26.543 1.00 62.34 H new ATOM 0 HD2 LYS A 54 24.992 -10.854 -27.038 1.00 41.12 H new ATOM 0 HD3 LYS A 54 24.522 -11.246 -25.396 1.00 41.12 H new ATOM 0 HE2 LYS A 54 24.694 -13.292 -26.737 1.00 43.21 H new ATOM 0 HE3 LYS A 54 23.037 -13.043 -26.222 1.00 43.21 H new ATOM 0 HZ1 LYS A 54 23.536 -13.650 -28.666 1.00 51.43 H new ATOM 0 HZ2 LYS A 54 22.363 -12.467 -28.336 1.00 51.43 H new ATOM 0 HZ3 LYS A 54 23.916 -12.004 -28.842 1.00 51.43 H new ATOM 835 N TYR A 55 20.582 -10.399 -22.651 1.00 35.35 N ATOM 836 CA TYR A 55 19.373 -10.466 -21.838 1.00 31.43 C ATOM 837 C TYR A 55 19.318 -9.308 -20.847 1.00 13.32 C ATOM 838 O TYR A 55 18.251 -8.756 -20.577 1.00 13.41 O ATOM 839 CB TYR A 55 19.311 -11.798 -21.087 1.00 3.42 C ATOM 840 CG TYR A 55 19.618 -12.997 -21.955 1.00 21.13 C ATOM 841 CD1 TYR A 55 19.159 -13.068 -23.264 1.00 51.10 C ATOM 842 CD2 TYR A 55 20.368 -14.059 -21.465 1.00 64.43 C ATOM 843 CE1 TYR A 55 19.436 -14.162 -24.060 1.00 62.30 C ATOM 844 CE2 TYR A 55 20.652 -15.157 -22.255 1.00 31.23 C ATOM 845 CZ TYR A 55 20.183 -15.204 -23.551 1.00 62.21 C ATOM 846 OH TYR A 55 20.463 -16.295 -24.341 1.00 71.43 O ATOM 0 H TYR A 55 21.242 -11.160 -22.490 1.00 35.35 H new ATOM 0 HA TYR A 55 18.513 -10.392 -22.504 1.00 31.43 H new ATOM 0 HB2 TYR A 55 20.017 -11.771 -20.257 1.00 3.42 H new ATOM 0 HB3 TYR A 55 18.317 -11.917 -20.656 1.00 3.42 H new ATOM 0 HD1 TYR A 55 18.575 -12.253 -23.666 1.00 51.10 H new ATOM 0 HD2 TYR A 55 20.735 -14.026 -20.450 1.00 64.43 H new ATOM 0 HE1 TYR A 55 19.070 -14.202 -25.075 1.00 62.30 H new ATOM 0 HE2 TYR A 55 21.238 -15.974 -21.860 1.00 31.23 H new ATOM 0 HH TYR A 55 20.999 -16.938 -23.832 1.00 71.43 H new ATOM 856 N LYS A 56 20.476 -8.943 -20.308 1.00 21.44 N ATOM 857 CA LYS A 56 20.563 -7.849 -19.348 1.00 23.43 C ATOM 858 C LYS A 56 20.407 -6.501 -20.044 1.00 22.13 C ATOM 859 O LYS A 56 19.996 -5.518 -19.427 1.00 43.03 O ATOM 860 CB LYS A 56 21.901 -7.900 -18.605 1.00 73.34 C ATOM 861 CG LYS A 56 22.158 -9.224 -17.906 1.00 41.20 C ATOM 862 CD LYS A 56 23.646 -9.495 -17.756 1.00 73.35 C ATOM 863 CE LYS A 56 24.324 -8.431 -16.907 1.00 72.41 C ATOM 864 NZ LYS A 56 25.708 -8.826 -16.525 1.00 0.20 N ATOM 0 H LYS A 56 21.368 -9.389 -20.520 1.00 21.44 H new ATOM 0 HA LYS A 56 19.751 -7.963 -18.630 1.00 23.43 H new ATOM 0 HB2 LYS A 56 22.708 -7.710 -19.313 1.00 73.34 H new ATOM 0 HB3 LYS A 56 21.928 -7.098 -17.867 1.00 73.34 H new ATOM 0 HG2 LYS A 56 21.688 -9.215 -16.923 1.00 41.20 H new ATOM 0 HG3 LYS A 56 21.695 -10.032 -18.473 1.00 41.20 H new ATOM 0 HD2 LYS A 56 23.794 -10.474 -17.301 1.00 73.35 H new ATOM 0 HD3 LYS A 56 24.112 -9.527 -18.741 1.00 73.35 H new ATOM 0 HE2 LYS A 56 24.353 -7.491 -17.458 1.00 72.41 H new ATOM 0 HE3 LYS A 56 23.735 -8.255 -16.007 1.00 72.41 H new ATOM 0 HZ1 LYS A 56 26.136 -8.075 -15.947 1.00 0.20 H new ATOM 0 HZ2 LYS A 56 25.678 -9.710 -15.977 1.00 0.20 H new ATOM 0 HZ3 LYS A 56 26.277 -8.970 -17.383 1.00 0.20 H new ATOM 878 N TRP A 57 20.736 -6.463 -21.330 1.00 22.13 N ATOM 879 CA TRP A 57 20.631 -5.235 -22.109 1.00 53.14 C ATOM 880 C TRP A 57 19.253 -5.115 -22.752 1.00 44.22 C ATOM 881 O TRP A 57 18.795 -4.014 -23.057 1.00 24.13 O ATOM 882 CB TRP A 57 21.715 -5.196 -23.187 1.00 63.12 C ATOM 883 CG TRP A 57 21.965 -3.821 -23.730 1.00 32.34 C ATOM 884 CD1 TRP A 57 22.630 -2.803 -23.108 1.00 60.30 C ATOM 885 CD2 TRP A 57 21.551 -3.314 -25.003 1.00 35.22 C ATOM 886 NE1 TRP A 57 22.654 -1.694 -23.918 1.00 42.23 N ATOM 887 CE2 TRP A 57 22.000 -1.982 -25.087 1.00 14.44 C ATOM 888 CE3 TRP A 57 20.846 -3.856 -26.081 1.00 20.41 C ATOM 889 CZ2 TRP A 57 21.765 -1.186 -26.205 1.00 32.30 C ATOM 890 CZ3 TRP A 57 20.614 -3.066 -27.190 1.00 55.40 C ATOM 891 CH2 TRP A 57 21.072 -1.743 -27.246 1.00 4.22 C ATOM 0 H TRP A 57 21.078 -7.268 -21.855 1.00 22.13 H new ATOM 0 HA TRP A 57 20.771 -4.392 -21.433 1.00 53.14 H new ATOM 0 HB2 TRP A 57 22.643 -5.589 -22.773 1.00 63.12 H new ATOM 0 HB3 TRP A 57 21.427 -5.855 -24.006 1.00 63.12 H new ATOM 0 HD1 TRP A 57 23.072 -2.861 -22.124 1.00 60.30 H new ATOM 0 HE1 TRP A 57 23.088 -0.801 -23.687 1.00 42.23 H new ATOM 0 HE3 TRP A 57 20.489 -4.875 -26.048 1.00 20.41 H new ATOM 0 HZ2 TRP A 57 22.117 -0.166 -26.249 1.00 32.30 H new ATOM 0 HZ3 TRP A 57 20.070 -3.475 -28.029 1.00 55.40 H new ATOM 0 HH2 TRP A 57 20.874 -1.151 -28.128 1.00 4.22 H new ATOM 902 N GLU A 58 18.598 -6.254 -22.955 1.00 43.44 N ATOM 903 CA GLU A 58 17.273 -6.274 -23.563 1.00 11.30 C ATOM 904 C GLU A 58 16.189 -6.059 -22.511 1.00 33.43 C ATOM 905 O GLU A 58 15.161 -5.439 -22.781 1.00 0.33 O ATOM 906 CB GLU A 58 17.040 -7.601 -24.288 1.00 40.21 C ATOM 907 CG GLU A 58 17.857 -7.751 -25.560 1.00 50.35 C ATOM 908 CD GLU A 58 17.075 -7.373 -26.804 1.00 21.24 C ATOM 909 OE1 GLU A 58 16.222 -6.465 -26.714 1.00 62.13 O ATOM 910 OE2 GLU A 58 17.315 -7.985 -27.865 1.00 63.31 O ATOM 0 H GLU A 58 18.963 -7.174 -22.708 1.00 43.44 H new ATOM 0 HA GLU A 58 17.220 -5.460 -24.286 1.00 11.30 H new ATOM 0 HB2 GLU A 58 17.281 -8.422 -23.612 1.00 40.21 H new ATOM 0 HB3 GLU A 58 15.982 -7.690 -24.533 1.00 40.21 H new ATOM 0 HG2 GLU A 58 18.747 -7.126 -25.491 1.00 50.35 H new ATOM 0 HG3 GLU A 58 18.198 -8.783 -25.649 1.00 50.35 H new ATOM 917 N ALA A 59 16.426 -6.579 -21.311 1.00 4.54 N ATOM 918 CA ALA A 59 15.472 -6.443 -20.217 1.00 70.32 C ATOM 919 C ALA A 59 15.396 -5.000 -19.730 1.00 24.42 C ATOM 920 O ALA A 59 14.309 -4.458 -19.534 1.00 51.11 O ATOM 921 CB ALA A 59 15.848 -7.371 -19.071 1.00 12.30 C ATOM 0 H ALA A 59 17.271 -7.098 -21.072 1.00 4.54 H new ATOM 0 HA ALA A 59 14.487 -6.724 -20.589 1.00 70.32 H new ATOM 0 HB1 ALA A 59 15.127 -7.259 -18.261 1.00 12.30 H new ATOM 0 HB2 ALA A 59 15.842 -8.403 -19.422 1.00 12.30 H new ATOM 0 HB3 ALA A 59 16.844 -7.116 -18.708 1.00 12.30 H new ATOM 927 N TRP A 60 16.557 -4.385 -19.535 1.00 62.32 N ATOM 928 CA TRP A 60 16.622 -3.005 -19.069 1.00 53.45 C ATOM 929 C TRP A 60 16.020 -2.054 -20.099 1.00 23.21 C ATOM 930 O TRP A 60 15.543 -0.974 -19.755 1.00 52.10 O ATOM 931 CB TRP A 60 18.070 -2.610 -18.778 1.00 65.21 C ATOM 932 CG TRP A 60 18.196 -1.305 -18.052 1.00 43.14 C ATOM 933 CD1 TRP A 60 17.256 -0.716 -17.255 1.00 62.34 C ATOM 934 CD2 TRP A 60 19.327 -0.426 -18.059 1.00 74.11 C ATOM 935 NE1 TRP A 60 17.734 0.476 -16.766 1.00 62.53 N ATOM 936 CE2 TRP A 60 19.002 0.676 -17.244 1.00 23.12 C ATOM 937 CE3 TRP A 60 20.582 -0.464 -18.672 1.00 54.25 C ATOM 938 CZ2 TRP A 60 19.888 1.729 -17.029 1.00 73.22 C ATOM 939 CZ3 TRP A 60 21.459 0.582 -18.459 1.00 1.12 C ATOM 940 CH2 TRP A 60 21.109 1.666 -17.642 1.00 65.13 C ATOM 0 H TRP A 60 17.466 -4.820 -19.692 1.00 62.32 H new ATOM 0 HA TRP A 60 16.041 -2.931 -18.150 1.00 53.45 H new ATOM 0 HB2 TRP A 60 18.541 -3.394 -18.185 1.00 65.21 H new ATOM 0 HB3 TRP A 60 18.618 -2.549 -19.718 1.00 65.21 H new ATOM 0 HD1 TRP A 60 16.280 -1.127 -17.041 1.00 62.34 H new ATOM 0 HE1 TRP A 60 17.227 1.109 -16.148 1.00 62.53 H new ATOM 0 HE3 TRP A 60 20.861 -1.296 -19.301 1.00 54.25 H new ATOM 0 HZ2 TRP A 60 19.620 2.566 -16.401 1.00 73.22 H new ATOM 0 HZ3 TRP A 60 22.431 0.564 -18.930 1.00 1.12 H new ATOM 0 HH2 TRP A 60 21.818 2.467 -17.494 1.00 65.13 H new ATOM 951 N ASN A 61 16.047 -2.464 -21.363 1.00 33.11 N ATOM 952 CA ASN A 61 15.504 -1.648 -22.443 1.00 12.34 C ATOM 953 C ASN A 61 14.002 -1.873 -22.592 1.00 43.54 C ATOM 954 O ASN A 61 13.268 -0.975 -23.004 1.00 40.02 O ATOM 955 CB ASN A 61 16.213 -1.970 -23.760 1.00 10.24 C ATOM 956 CG ASN A 61 15.501 -1.376 -24.960 1.00 30.22 C ATOM 957 OD1 ASN A 61 15.828 -0.277 -25.409 1.00 30.52 O ATOM 958 ND2 ASN A 61 14.521 -2.103 -25.485 1.00 43.43 N ATOM 0 H ASN A 61 16.439 -3.356 -21.664 1.00 33.11 H new ATOM 0 HA ASN A 61 15.674 -0.600 -22.194 1.00 12.34 H new ATOM 0 HB2 ASN A 61 17.234 -1.590 -23.722 1.00 10.24 H new ATOM 0 HB3 ASN A 61 16.279 -3.051 -23.879 1.00 10.24 H new ATOM 0 HD21 ASN A 61 14.005 -1.756 -26.293 1.00 43.43 H new ATOM 0 HD22 ASN A 61 14.284 -3.009 -25.080 1.00 43.43 H new ATOM 965 N ALA A 62 13.553 -3.077 -22.254 1.00 43.15 N ATOM 966 CA ALA A 62 12.140 -3.419 -22.349 1.00 35.24 C ATOM 967 C ALA A 62 11.315 -2.627 -21.340 1.00 55.22 C ATOM 968 O ALA A 62 10.115 -2.419 -21.530 1.00 22.50 O ATOM 969 CB ALA A 62 11.943 -4.913 -22.137 1.00 10.02 C ATOM 0 H ALA A 62 14.148 -3.832 -21.912 1.00 43.15 H new ATOM 0 HA ALA A 62 11.794 -3.156 -23.349 1.00 35.24 H new ATOM 0 HB1 ALA A 62 10.883 -5.154 -22.211 1.00 10.02 H new ATOM 0 HB2 ALA A 62 12.494 -5.464 -22.899 1.00 10.02 H new ATOM 0 HB3 ALA A 62 12.311 -5.192 -21.150 1.00 10.02 H new ATOM 975 N LEU A 63 11.963 -2.187 -20.268 1.00 3.31 N ATOM 976 CA LEU A 63 11.289 -1.417 -19.228 1.00 41.01 C ATOM 977 C LEU A 63 11.496 0.080 -19.438 1.00 24.45 C ATOM 978 O LEU A 63 11.308 0.877 -18.519 1.00 33.03 O ATOM 979 CB LEU A 63 11.805 -1.827 -17.847 1.00 53.44 C ATOM 980 CG LEU A 63 11.163 -3.071 -17.233 1.00 54.11 C ATOM 981 CD1 LEU A 63 11.305 -4.262 -18.168 1.00 54.23 C ATOM 982 CD2 LEU A 63 11.783 -3.378 -15.878 1.00 44.31 C ATOM 0 H LEU A 63 12.955 -2.350 -20.095 1.00 3.31 H new ATOM 0 HA LEU A 63 10.221 -1.629 -19.287 1.00 41.01 H new ATOM 0 HB2 LEU A 63 12.880 -1.995 -17.918 1.00 53.44 H new ATOM 0 HB3 LEU A 63 11.657 -0.991 -17.163 1.00 53.44 H new ATOM 0 HG LEU A 63 10.101 -2.874 -17.088 1.00 54.11 H new ATOM 0 HD11 LEU A 63 10.842 -5.138 -17.714 1.00 54.23 H new ATOM 0 HD12 LEU A 63 10.813 -4.042 -19.115 1.00 54.23 H new ATOM 0 HD13 LEU A 63 12.362 -4.461 -18.346 1.00 54.23 H new ATOM 0 HD21 LEU A 63 11.314 -4.267 -15.456 1.00 44.31 H new ATOM 0 HD22 LEU A 63 12.852 -3.555 -15.999 1.00 44.31 H new ATOM 0 HD23 LEU A 63 11.628 -2.533 -15.207 1.00 44.31 H new ATOM 994 N ARG A 64 11.884 0.454 -20.653 1.00 35.24 N ATOM 995 CA ARG A 64 12.115 1.855 -20.983 1.00 23.30 C ATOM 996 C ARG A 64 10.844 2.676 -20.791 1.00 12.22 C ATOM 997 O ARG A 64 9.779 2.316 -21.290 1.00 53.42 O ATOM 998 CB ARG A 64 12.607 1.986 -22.426 1.00 32.03 C ATOM 999 CG ARG A 64 14.118 1.902 -22.564 1.00 41.23 C ATOM 1000 CD ARG A 64 14.546 1.934 -24.023 1.00 44.30 C ATOM 1001 NE ARG A 64 14.458 3.277 -24.590 1.00 54.21 N ATOM 1002 CZ ARG A 64 14.606 3.540 -25.884 1.00 20.12 C ATOM 1003 NH1 ARG A 64 14.849 2.557 -26.740 1.00 33.13 N ATOM 1004 NH2 ARG A 64 14.511 4.788 -26.324 1.00 2.24 N ATOM 0 H ARG A 64 12.045 -0.193 -21.425 1.00 35.24 H new ATOM 0 HA ARG A 64 12.880 2.240 -20.309 1.00 23.30 H new ATOM 0 HB2 ARG A 64 12.151 1.201 -23.029 1.00 32.03 H new ATOM 0 HB3 ARG A 64 12.266 2.938 -22.832 1.00 32.03 H new ATOM 0 HG2 ARG A 64 14.580 2.732 -22.030 1.00 41.23 H new ATOM 0 HG3 ARG A 64 14.477 0.984 -22.098 1.00 41.23 H new ATOM 0 HD2 ARG A 64 15.570 1.571 -24.108 1.00 44.30 H new ATOM 0 HD3 ARG A 64 13.918 1.255 -24.600 1.00 44.30 H new ATOM 0 HE ARG A 64 14.273 4.056 -23.958 1.00 54.21 H new ATOM 0 HH11 ARG A 64 14.923 1.596 -26.406 1.00 33.13 H new ATOM 0 HH12 ARG A 64 14.962 2.762 -27.733 1.00 33.13 H new ATOM 0 HH21 ARG A 64 14.324 5.547 -25.669 1.00 2.24 H new ATOM 0 HH22 ARG A 64 14.625 4.989 -27.318 1.00 2.24 H new ATOM 1018 N GLY A 65 10.964 3.782 -20.062 1.00 41.02 N ATOM 1019 CA GLY A 65 9.817 4.637 -19.816 1.00 63.42 C ATOM 1020 C GLY A 65 9.166 4.362 -18.475 1.00 64.32 C ATOM 1021 O GLY A 65 8.445 5.205 -17.944 1.00 10.14 O ATOM 0 H GLY A 65 11.835 4.101 -19.638 1.00 41.02 H new ATOM 0 HA2 GLY A 65 10.130 5.680 -19.857 1.00 63.42 H new ATOM 0 HA3 GLY A 65 9.083 4.493 -20.609 1.00 63.42 H new ATOM 1025 N MET A 66 9.420 3.178 -17.928 1.00 22.43 N ATOM 1026 CA MET A 66 8.853 2.794 -16.640 1.00 53.02 C ATOM 1027 C MET A 66 9.157 3.845 -15.577 1.00 63.31 C ATOM 1028 O MET A 66 10.139 4.580 -15.681 1.00 24.53 O ATOM 1029 CB MET A 66 9.401 1.435 -16.202 1.00 34.50 C ATOM 1030 CG MET A 66 8.495 0.700 -15.227 1.00 72.21 C ATOM 1031 SD MET A 66 8.008 -0.930 -15.825 1.00 31.10 S ATOM 1032 CE MET A 66 9.101 -1.981 -14.871 1.00 54.12 C ATOM 0 H MET A 66 10.014 2.468 -18.356 1.00 22.43 H new ATOM 0 HA MET A 66 7.771 2.721 -16.755 1.00 53.02 H new ATOM 0 HB2 MET A 66 9.553 0.812 -17.084 1.00 34.50 H new ATOM 0 HB3 MET A 66 10.378 1.578 -15.740 1.00 34.50 H new ATOM 0 HG2 MET A 66 9.007 0.594 -14.271 1.00 72.21 H new ATOM 0 HG3 MET A 66 7.602 1.298 -15.046 1.00 72.21 H new ATOM 0 HE1 MET A 66 9.089 -2.989 -15.285 1.00 54.12 H new ATOM 0 HE2 MET A 66 10.115 -1.584 -14.912 1.00 54.12 H new ATOM 0 HE3 MET A 66 8.764 -2.010 -13.835 1.00 54.12 H new ATOM 1042 N SER A 67 8.309 3.910 -14.556 1.00 52.41 N ATOM 1043 CA SER A 67 8.485 4.874 -13.476 1.00 44.22 C ATOM 1044 C SER A 67 9.170 4.226 -12.276 1.00 40.55 C ATOM 1045 O SER A 67 9.389 3.015 -12.250 1.00 74.31 O ATOM 1046 CB SER A 67 7.133 5.453 -13.055 1.00 4.41 C ATOM 1047 OG SER A 67 6.352 5.798 -14.185 1.00 52.25 O ATOM 0 H SER A 67 7.493 3.307 -14.454 1.00 52.41 H new ATOM 0 HA SER A 67 9.119 5.681 -13.842 1.00 44.22 H new ATOM 0 HB2 SER A 67 6.596 4.726 -12.446 1.00 4.41 H new ATOM 0 HB3 SER A 67 7.289 6.335 -12.434 1.00 4.41 H new ATOM 0 HG SER A 67 5.492 6.164 -13.889 1.00 52.25 H new ATOM 1053 N THR A 68 9.507 5.043 -11.283 1.00 41.31 N ATOM 1054 CA THR A 68 10.168 4.552 -10.081 1.00 11.14 C ATOM 1055 C THR A 68 9.268 3.592 -9.312 1.00 33.41 C ATOM 1056 O THR A 68 9.691 2.500 -8.932 1.00 52.24 O ATOM 1057 CB THR A 68 10.576 5.711 -9.151 1.00 31.51 C ATOM 1058 OG1 THR A 68 11.460 6.603 -9.839 1.00 34.21 O ATOM 1059 CG2 THR A 68 11.255 5.184 -7.896 1.00 23.51 C ATOM 0 H THR A 68 9.333 6.048 -11.288 1.00 41.31 H new ATOM 0 HA THR A 68 11.064 4.024 -10.407 1.00 11.14 H new ATOM 0 HB THR A 68 9.674 6.248 -8.859 1.00 31.51 H new ATOM 0 HG1 THR A 68 11.713 7.338 -9.242 1.00 34.21 H new ATOM 0 HG21 THR A 68 11.534 6.020 -7.255 1.00 23.51 H new ATOM 0 HG22 THR A 68 10.569 4.528 -7.359 1.00 23.51 H new ATOM 0 HG23 THR A 68 12.149 4.625 -8.173 1.00 23.51 H new ATOM 1067 N GLU A 69 8.025 4.005 -9.086 1.00 55.14 N ATOM 1068 CA GLU A 69 7.065 3.180 -8.362 1.00 62.52 C ATOM 1069 C GLU A 69 6.662 1.962 -9.189 1.00 52.00 C ATOM 1070 O GLU A 69 6.264 0.932 -8.644 1.00 50.51 O ATOM 1071 CB GLU A 69 5.824 3.998 -8.001 1.00 41.52 C ATOM 1072 CG GLU A 69 6.142 5.306 -7.295 1.00 32.32 C ATOM 1073 CD GLU A 69 4.932 5.905 -6.605 1.00 53.22 C ATOM 1074 OE1 GLU A 69 3.956 6.244 -7.306 1.00 51.45 O ATOM 1075 OE2 GLU A 69 4.961 6.035 -5.363 1.00 60.33 O ATOM 0 H GLU A 69 7.659 4.906 -9.394 1.00 55.14 H new ATOM 0 HA GLU A 69 7.542 2.834 -7.445 1.00 62.52 H new ATOM 0 HB2 GLU A 69 5.263 4.213 -8.911 1.00 41.52 H new ATOM 0 HB3 GLU A 69 5.177 3.398 -7.362 1.00 41.52 H new ATOM 0 HG2 GLU A 69 6.928 5.136 -6.559 1.00 32.32 H new ATOM 0 HG3 GLU A 69 6.533 6.020 -8.020 1.00 32.32 H new ATOM 1082 N SER A 70 6.767 2.089 -10.508 1.00 61.50 N ATOM 1083 CA SER A 70 6.409 1.001 -11.411 1.00 64.02 C ATOM 1084 C SER A 70 7.442 -0.121 -11.347 1.00 13.54 C ATOM 1085 O SER A 70 7.135 -1.278 -11.629 1.00 71.31 O ATOM 1086 CB SER A 70 6.292 1.519 -12.846 1.00 14.12 C ATOM 1087 OG SER A 70 5.255 2.479 -12.958 1.00 2.11 O ATOM 0 H SER A 70 7.097 2.934 -10.975 1.00 61.50 H new ATOM 0 HA SER A 70 5.445 0.603 -11.095 1.00 64.02 H new ATOM 0 HB2 SER A 70 7.238 1.964 -13.154 1.00 14.12 H new ATOM 0 HB3 SER A 70 6.096 0.687 -13.522 1.00 14.12 H new ATOM 0 HG SER A 70 5.201 2.796 -13.884 1.00 2.11 H new ATOM 1093 N ALA A 71 8.667 0.233 -10.973 1.00 21.43 N ATOM 1094 CA ALA A 71 9.745 -0.743 -10.869 1.00 20.13 C ATOM 1095 C ALA A 71 9.813 -1.339 -9.467 1.00 10.34 C ATOM 1096 O ALA A 71 9.830 -2.558 -9.299 1.00 22.32 O ATOM 1097 CB ALA A 71 11.075 -0.102 -11.237 1.00 12.32 C ATOM 0 H ALA A 71 8.938 1.188 -10.737 1.00 21.43 H new ATOM 0 HA ALA A 71 9.538 -1.552 -11.570 1.00 20.13 H new ATOM 0 HB1 ALA A 71 11.871 -0.842 -11.155 1.00 12.32 H new ATOM 0 HB2 ALA A 71 11.029 0.269 -12.261 1.00 12.32 H new ATOM 0 HB3 ALA A 71 11.279 0.727 -10.559 1.00 12.32 H new ATOM 1103 N LYS A 72 9.852 -0.471 -8.461 1.00 42.33 N ATOM 1104 CA LYS A 72 9.918 -0.910 -7.073 1.00 32.04 C ATOM 1105 C LYS A 72 8.835 -1.943 -6.777 1.00 65.51 C ATOM 1106 O LYS A 72 9.094 -2.958 -6.131 1.00 21.03 O ATOM 1107 CB LYS A 72 9.767 0.286 -6.130 1.00 54.11 C ATOM 1108 CG LYS A 72 10.850 1.337 -6.302 1.00 73.13 C ATOM 1109 CD LYS A 72 10.390 2.698 -5.806 1.00 25.30 C ATOM 1110 CE LYS A 72 11.538 3.482 -5.187 1.00 72.45 C ATOM 1111 NZ LYS A 72 11.091 4.807 -4.675 1.00 23.42 N ATOM 0 H LYS A 72 9.839 0.542 -8.582 1.00 42.33 H new ATOM 0 HA LYS A 72 10.892 -1.372 -6.911 1.00 32.04 H new ATOM 0 HB2 LYS A 72 8.794 0.748 -6.296 1.00 54.11 H new ATOM 0 HB3 LYS A 72 9.779 -0.070 -5.100 1.00 54.11 H new ATOM 0 HG2 LYS A 72 11.743 1.033 -5.757 1.00 73.13 H new ATOM 0 HG3 LYS A 72 11.127 1.407 -7.354 1.00 73.13 H new ATOM 0 HD2 LYS A 72 9.966 3.265 -6.635 1.00 25.30 H new ATOM 0 HD3 LYS A 72 9.597 2.569 -5.069 1.00 25.30 H new ATOM 0 HE2 LYS A 72 11.974 2.905 -4.371 1.00 72.45 H new ATOM 0 HE3 LYS A 72 12.322 3.625 -5.930 1.00 72.45 H new ATOM 0 HZ1 LYS A 72 11.908 5.447 -4.609 1.00 23.42 H new ATOM 0 HZ2 LYS A 72 10.386 5.210 -5.325 1.00 23.42 H new ATOM 0 HZ3 LYS A 72 10.666 4.690 -3.733 1.00 23.42 H new ATOM 1125 N GLU A 73 7.624 -1.679 -7.256 1.00 50.41 N ATOM 1126 CA GLU A 73 6.504 -2.587 -7.043 1.00 34.21 C ATOM 1127 C GLU A 73 6.853 -3.999 -7.505 1.00 35.11 C ATOM 1128 O GLU A 73 6.559 -4.978 -6.819 1.00 63.13 O ATOM 1129 CB GLU A 73 5.264 -2.087 -7.787 1.00 72.13 C ATOM 1130 CG GLU A 73 5.468 -1.950 -9.287 1.00 20.23 C ATOM 1131 CD GLU A 73 5.046 -3.191 -10.049 1.00 33.23 C ATOM 1132 OE1 GLU A 73 4.771 -4.221 -9.398 1.00 62.41 O ATOM 1133 OE2 GLU A 73 4.990 -3.133 -11.295 1.00 12.23 O ATOM 0 H GLU A 73 7.394 -0.844 -7.794 1.00 50.41 H new ATOM 0 HA GLU A 73 6.291 -2.615 -5.974 1.00 34.21 H new ATOM 0 HB2 GLU A 73 4.438 -2.774 -7.602 1.00 72.13 H new ATOM 0 HB3 GLU A 73 4.971 -1.120 -7.379 1.00 72.13 H new ATOM 0 HG2 GLU A 73 4.899 -1.094 -9.651 1.00 20.23 H new ATOM 0 HG3 GLU A 73 6.519 -1.744 -9.490 1.00 20.23 H new ATOM 1140 N ALA A 74 7.480 -4.095 -8.672 1.00 61.24 N ATOM 1141 CA ALA A 74 7.871 -5.386 -9.226 1.00 15.20 C ATOM 1142 C ALA A 74 8.967 -6.034 -8.387 1.00 52.12 C ATOM 1143 O ALA A 74 9.194 -7.241 -8.470 1.00 73.25 O ATOM 1144 CB ALA A 74 8.332 -5.224 -10.667 1.00 34.41 C ATOM 0 H ALA A 74 7.728 -3.294 -9.253 1.00 61.24 H new ATOM 0 HA ALA A 74 7.000 -6.041 -9.206 1.00 15.20 H new ATOM 0 HB1 ALA A 74 8.621 -6.196 -11.068 1.00 34.41 H new ATOM 0 HB2 ALA A 74 7.519 -4.812 -11.265 1.00 34.41 H new ATOM 0 HB3 ALA A 74 9.187 -4.548 -10.702 1.00 34.41 H new ATOM 1150 N TYR A 75 9.644 -5.225 -7.580 1.00 41.24 N ATOM 1151 CA TYR A 75 10.719 -5.719 -6.729 1.00 22.44 C ATOM 1152 C TYR A 75 10.158 -6.440 -5.507 1.00 22.15 C ATOM 1153 O TYR A 75 10.830 -7.275 -4.901 1.00 71.51 O ATOM 1154 CB TYR A 75 11.619 -4.565 -6.285 1.00 40.31 C ATOM 1155 CG TYR A 75 13.085 -4.930 -6.221 1.00 11.42 C ATOM 1156 CD1 TYR A 75 13.553 -5.844 -5.285 1.00 11.44 C ATOM 1157 CD2 TYR A 75 14.002 -4.360 -7.095 1.00 60.13 C ATOM 1158 CE1 TYR A 75 14.891 -6.180 -5.222 1.00 4.34 C ATOM 1159 CE2 TYR A 75 15.342 -4.691 -7.041 1.00 20.35 C ATOM 1160 CZ TYR A 75 15.782 -5.601 -6.102 1.00 31.31 C ATOM 1161 OH TYR A 75 17.116 -5.933 -6.043 1.00 41.32 O ATOM 0 H TYR A 75 9.467 -4.224 -7.497 1.00 41.24 H new ATOM 0 HA TYR A 75 11.310 -6.429 -7.309 1.00 22.44 H new ATOM 0 HB2 TYR A 75 11.491 -3.730 -6.974 1.00 40.31 H new ATOM 0 HB3 TYR A 75 11.296 -4.221 -5.303 1.00 40.31 H new ATOM 0 HD1 TYR A 75 12.858 -6.300 -4.595 1.00 11.44 H new ATOM 0 HD2 TYR A 75 13.661 -3.645 -7.830 1.00 60.13 H new ATOM 0 HE1 TYR A 75 15.238 -6.892 -4.488 1.00 4.34 H new ATOM 0 HE2 TYR A 75 16.041 -4.240 -7.730 1.00 20.35 H new ATOM 0 HH TYR A 75 17.607 -5.438 -6.732 1.00 41.32 H new ATOM 1171 N VAL A 76 8.921 -6.111 -5.150 1.00 12.34 N ATOM 1172 CA VAL A 76 8.267 -6.727 -4.001 1.00 52.43 C ATOM 1173 C VAL A 76 7.475 -7.962 -4.417 1.00 3.43 C ATOM 1174 O VAL A 76 7.253 -8.870 -3.615 1.00 45.53 O ATOM 1175 CB VAL A 76 7.320 -5.737 -3.297 1.00 1.32 C ATOM 1176 CG1 VAL A 76 6.533 -6.438 -2.201 1.00 21.35 C ATOM 1177 CG2 VAL A 76 8.103 -4.561 -2.733 1.00 43.31 C ATOM 0 H VAL A 76 8.351 -5.421 -5.640 1.00 12.34 H new ATOM 0 HA VAL A 76 9.055 -7.020 -3.307 1.00 52.43 H new ATOM 0 HB VAL A 76 6.612 -5.354 -4.032 1.00 1.32 H new ATOM 0 HG11 VAL A 76 5.870 -5.723 -1.715 1.00 21.35 H new ATOM 0 HG12 VAL A 76 5.942 -7.244 -2.636 1.00 21.35 H new ATOM 0 HG13 VAL A 76 7.223 -6.851 -1.465 1.00 21.35 H new ATOM 0 HG21 VAL A 76 7.418 -3.871 -2.239 1.00 43.31 H new ATOM 0 HG22 VAL A 76 8.835 -4.924 -2.012 1.00 43.31 H new ATOM 0 HG23 VAL A 76 8.617 -4.044 -3.543 1.00 43.31 H new ATOM 1187 N LYS A 77 7.051 -7.990 -5.676 1.00 3.23 N ATOM 1188 CA LYS A 77 6.285 -9.114 -6.200 1.00 63.15 C ATOM 1189 C LYS A 77 7.210 -10.177 -6.784 1.00 22.51 C ATOM 1190 O LYS A 77 7.008 -11.374 -6.573 1.00 71.12 O ATOM 1191 CB LYS A 77 5.304 -8.633 -7.272 1.00 31.33 C ATOM 1192 CG LYS A 77 4.188 -7.760 -6.726 1.00 13.31 C ATOM 1193 CD LYS A 77 2.973 -8.586 -6.335 1.00 45.43 C ATOM 1194 CE LYS A 77 2.095 -8.889 -7.539 1.00 61.14 C ATOM 1195 NZ LYS A 77 0.693 -9.195 -7.140 1.00 43.44 N ATOM 0 H LYS A 77 7.225 -7.247 -6.352 1.00 3.23 H new ATOM 0 HA LYS A 77 5.726 -9.556 -5.376 1.00 63.15 H new ATOM 0 HB2 LYS A 77 5.853 -8.075 -8.031 1.00 31.33 H new ATOM 0 HB3 LYS A 77 4.867 -9.500 -7.768 1.00 31.33 H new ATOM 0 HG2 LYS A 77 4.548 -7.208 -5.858 1.00 13.31 H new ATOM 0 HG3 LYS A 77 3.902 -7.023 -7.476 1.00 13.31 H new ATOM 0 HD2 LYS A 77 3.299 -9.520 -5.876 1.00 45.43 H new ATOM 0 HD3 LYS A 77 2.392 -8.048 -5.586 1.00 45.43 H new ATOM 0 HE2 LYS A 77 2.102 -8.036 -8.217 1.00 61.14 H new ATOM 0 HE3 LYS A 77 2.510 -9.735 -8.087 1.00 61.14 H new ATOM 0 HZ1 LYS A 77 0.127 -9.396 -7.989 1.00 43.44 H new ATOM 0 HZ2 LYS A 77 0.684 -10.025 -6.513 1.00 43.44 H new ATOM 0 HZ3 LYS A 77 0.288 -8.378 -6.639 1.00 43.44 H new ATOM 1209 N LEU A 78 8.226 -9.734 -7.516 1.00 72.25 N ATOM 1210 CA LEU A 78 9.184 -10.648 -8.129 1.00 75.32 C ATOM 1211 C LEU A 78 10.064 -11.304 -7.071 1.00 21.44 C ATOM 1212 O LEU A 78 10.293 -12.514 -7.101 1.00 63.30 O ATOM 1213 CB LEU A 78 10.054 -9.903 -9.142 1.00 51.53 C ATOM 1214 CG LEU A 78 10.966 -10.770 -10.011 1.00 11.23 C ATOM 1215 CD1 LEU A 78 12.208 -11.181 -9.235 1.00 72.44 C ATOM 1216 CD2 LEU A 78 10.217 -11.996 -10.512 1.00 31.13 C ATOM 0 H LEU A 78 8.408 -8.747 -7.700 1.00 72.25 H new ATOM 0 HA LEU A 78 8.625 -11.429 -8.645 1.00 75.32 H new ATOM 0 HB2 LEU A 78 9.401 -9.328 -9.798 1.00 51.53 H new ATOM 0 HB3 LEU A 78 10.674 -9.187 -8.602 1.00 51.53 H new ATOM 0 HG LEU A 78 11.280 -10.183 -10.874 1.00 11.23 H new ATOM 0 HD11 LEU A 78 12.846 -11.797 -9.869 1.00 72.44 H new ATOM 0 HD12 LEU A 78 12.755 -10.290 -8.926 1.00 72.44 H new ATOM 0 HD13 LEU A 78 11.914 -11.750 -8.353 1.00 72.44 H new ATOM 0 HD21 LEU A 78 10.881 -12.601 -11.129 1.00 31.13 H new ATOM 0 HD22 LEU A 78 9.874 -12.585 -9.662 1.00 31.13 H new ATOM 0 HD23 LEU A 78 9.359 -11.681 -11.105 1.00 31.13 H new ATOM 1228 N LEU A 79 10.554 -10.499 -6.134 1.00 73.41 N ATOM 1229 CA LEU A 79 11.408 -11.002 -5.063 1.00 53.24 C ATOM 1230 C LEU A 79 10.742 -12.165 -4.336 1.00 74.42 C ATOM 1231 O LEU A 79 11.417 -13.016 -3.755 1.00 54.45 O ATOM 1232 CB LEU A 79 11.728 -9.882 -4.072 1.00 11.12 C ATOM 1233 CG LEU A 79 12.633 -10.262 -2.899 1.00 41.05 C ATOM 1234 CD1 LEU A 79 13.826 -11.070 -3.386 1.00 73.43 C ATOM 1235 CD2 LEU A 79 13.097 -9.017 -2.159 1.00 3.55 C ATOM 0 H LEU A 79 10.375 -9.496 -6.094 1.00 73.41 H new ATOM 0 HA LEU A 79 12.336 -11.361 -5.509 1.00 53.24 H new ATOM 0 HB2 LEU A 79 12.199 -9.064 -4.618 1.00 11.12 H new ATOM 0 HB3 LEU A 79 10.789 -9.499 -3.672 1.00 11.12 H new ATOM 0 HG LEU A 79 12.060 -10.879 -2.207 1.00 41.05 H new ATOM 0 HD11 LEU A 79 14.459 -11.332 -2.538 1.00 73.43 H new ATOM 0 HD12 LEU A 79 13.475 -11.981 -3.871 1.00 73.43 H new ATOM 0 HD13 LEU A 79 14.400 -10.478 -4.098 1.00 73.43 H new ATOM 0 HD21 LEU A 79 13.740 -9.306 -1.328 1.00 3.55 H new ATOM 0 HD22 LEU A 79 13.653 -8.374 -2.841 1.00 3.55 H new ATOM 0 HD23 LEU A 79 12.231 -8.477 -1.777 1.00 3.55 H new ATOM 1247 N ASP A 80 9.414 -12.198 -4.374 1.00 41.21 N ATOM 1248 CA ASP A 80 8.656 -13.259 -3.722 1.00 22.15 C ATOM 1249 C ASP A 80 8.996 -14.619 -4.324 1.00 1.21 C ATOM 1250 O ASP A 80 8.829 -15.655 -3.680 1.00 23.13 O ATOM 1251 CB ASP A 80 7.155 -12.993 -3.845 1.00 61.35 C ATOM 1252 CG ASP A 80 6.328 -13.942 -3.001 1.00 15.02 C ATOM 1253 OD1 ASP A 80 6.515 -13.955 -1.766 1.00 64.20 O ATOM 1254 OD2 ASP A 80 5.491 -14.671 -3.574 1.00 44.43 O ATOM 0 H ASP A 80 8.840 -11.502 -4.850 1.00 41.21 H new ATOM 0 HA ASP A 80 8.929 -13.271 -2.667 1.00 22.15 H new ATOM 0 HB2 ASP A 80 6.945 -11.967 -3.544 1.00 61.35 H new ATOM 0 HB3 ASP A 80 6.857 -13.086 -4.889 1.00 61.35 H new ATOM 1259 N THR A 81 9.473 -14.608 -5.565 1.00 20.31 N ATOM 1260 CA THR A 81 9.834 -15.840 -6.255 1.00 41.13 C ATOM 1261 C THR A 81 11.239 -16.292 -5.874 1.00 70.30 C ATOM 1262 O THR A 81 11.564 -17.478 -5.955 1.00 11.22 O ATOM 1263 CB THR A 81 9.759 -15.669 -7.784 1.00 63.44 C ATOM 1264 OG1 THR A 81 9.556 -16.941 -8.410 1.00 30.32 O ATOM 1265 CG2 THR A 81 11.032 -15.033 -8.321 1.00 4.52 C ATOM 0 H THR A 81 9.618 -13.760 -6.112 1.00 20.31 H new ATOM 0 HA THR A 81 9.115 -16.599 -5.945 1.00 41.13 H new ATOM 0 HB THR A 81 8.919 -15.013 -8.013 1.00 63.44 H new ATOM 0 HG1 THR A 81 9.508 -16.823 -9.382 1.00 30.32 H new ATOM 0 HG21 THR A 81 10.955 -14.923 -9.403 1.00 4.52 H new ATOM 0 HG22 THR A 81 11.169 -14.053 -7.865 1.00 4.52 H new ATOM 0 HG23 THR A 81 11.885 -15.668 -8.081 1.00 4.52 H new ATOM 1273 N LEU A 82 12.069 -15.342 -5.458 1.00 32.22 N ATOM 1274 CA LEU A 82 13.440 -15.643 -5.063 1.00 24.54 C ATOM 1275 C LEU A 82 13.518 -15.978 -3.576 1.00 72.25 C ATOM 1276 O LEU A 82 14.016 -17.036 -3.194 1.00 21.34 O ATOM 1277 CB LEU A 82 14.355 -14.459 -5.379 1.00 10.35 C ATOM 1278 CG LEU A 82 14.375 -13.996 -6.836 1.00 14.23 C ATOM 1279 CD1 LEU A 82 14.189 -12.489 -6.920 1.00 4.45 C ATOM 1280 CD2 LEU A 82 15.673 -14.414 -7.511 1.00 13.13 C ATOM 0 H LEU A 82 11.816 -14.356 -5.386 1.00 32.22 H new ATOM 0 HA LEU A 82 13.772 -16.512 -5.630 1.00 24.54 H new ATOM 0 HB2 LEU A 82 14.055 -13.617 -4.755 1.00 10.35 H new ATOM 0 HB3 LEU A 82 15.372 -14.724 -5.089 1.00 10.35 H new ATOM 0 HG LEU A 82 13.547 -14.473 -7.360 1.00 14.23 H new ATOM 0 HD11 LEU A 82 14.206 -12.178 -7.965 1.00 4.45 H new ATOM 0 HD12 LEU A 82 13.232 -12.215 -6.475 1.00 4.45 H new ATOM 0 HD13 LEU A 82 14.995 -11.992 -6.380 1.00 4.45 H new ATOM 0 HD21 LEU A 82 15.669 -14.076 -8.547 1.00 13.13 H new ATOM 0 HD22 LEU A 82 16.517 -13.966 -6.986 1.00 13.13 H new ATOM 0 HD23 LEU A 82 15.764 -15.500 -7.484 1.00 13.13 H new ATOM 1292 N ALA A 83 13.020 -15.070 -2.744 1.00 35.01 N ATOM 1293 CA ALA A 83 13.028 -15.271 -1.300 1.00 44.22 C ATOM 1294 C ALA A 83 11.775 -14.687 -0.657 1.00 42.40 C ATOM 1295 O ALA A 83 11.780 -13.575 -0.128 1.00 25.03 O ATOM 1296 CB ALA A 83 14.276 -14.651 -0.689 1.00 11.52 C ATOM 0 H ALA A 83 12.606 -14.188 -3.045 1.00 35.01 H new ATOM 0 HA ALA A 83 13.036 -16.344 -1.107 1.00 44.22 H new ATOM 0 HB1 ALA A 83 14.270 -14.808 0.390 1.00 11.52 H new ATOM 0 HB2 ALA A 83 15.162 -15.118 -1.119 1.00 11.52 H new ATOM 0 HB3 ALA A 83 14.292 -13.582 -0.900 1.00 11.52 H new ATOM 1302 N PRO A 84 10.674 -15.451 -0.703 1.00 61.21 N ATOM 1303 CA PRO A 84 9.393 -15.029 -0.129 1.00 72.25 C ATOM 1304 C PRO A 84 9.424 -14.994 1.395 1.00 55.13 C ATOM 1305 O PRO A 84 8.472 -14.546 2.034 1.00 73.10 O ATOM 1306 CB PRO A 84 8.415 -16.100 -0.620 1.00 11.30 C ATOM 1307 CG PRO A 84 9.260 -17.303 -0.860 1.00 34.22 C ATOM 1308 CD PRO A 84 10.595 -16.787 -1.318 1.00 44.21 C ATOM 0 HA PRO A 84 9.125 -14.017 -0.431 1.00 72.25 H new ATOM 0 HB2 PRO A 84 7.642 -16.301 0.122 1.00 11.30 H new ATOM 0 HB3 PRO A 84 7.907 -15.785 -1.531 1.00 11.30 H new ATOM 0 HG2 PRO A 84 9.362 -17.896 0.049 1.00 34.22 H new ATOM 0 HG3 PRO A 84 8.812 -17.950 -1.614 1.00 34.22 H new ATOM 0 HD2 PRO A 84 11.410 -17.431 -0.987 1.00 44.21 H new ATOM 0 HD3 PRO A 84 10.653 -16.733 -2.405 1.00 44.21 H new ATOM 1316 N SER A 85 10.523 -15.469 1.971 1.00 2.50 N ATOM 1317 CA SER A 85 10.676 -15.494 3.421 1.00 62.21 C ATOM 1318 C SER A 85 10.918 -14.090 3.967 1.00 73.04 C ATOM 1319 O SER A 85 10.940 -13.879 5.179 1.00 30.12 O ATOM 1320 CB SER A 85 11.833 -16.413 3.817 1.00 63.43 C ATOM 1321 OG SER A 85 11.779 -16.737 5.195 1.00 30.03 O ATOM 0 H SER A 85 11.321 -15.842 1.456 1.00 2.50 H new ATOM 0 HA SER A 85 9.751 -15.878 3.852 1.00 62.21 H new ATOM 0 HB2 SER A 85 11.795 -17.327 3.224 1.00 63.43 H new ATOM 0 HB3 SER A 85 12.782 -15.926 3.592 1.00 63.43 H new ATOM 0 HG SER A 85 11.403 -15.982 5.694 1.00 30.03 H new ATOM 1327 N TRP A 86 11.098 -13.134 3.063 1.00 60.14 N ATOM 1328 CA TRP A 86 11.338 -11.749 3.452 1.00 22.33 C ATOM 1329 C TRP A 86 10.029 -11.042 3.782 1.00 55.40 C ATOM 1330 O TRP A 86 10.005 -10.093 4.566 1.00 45.53 O ATOM 1331 CB TRP A 86 12.068 -11.003 2.335 1.00 44.32 C ATOM 1332 CG TRP A 86 11.148 -10.452 1.288 1.00 13.44 C ATOM 1333 CD1 TRP A 86 10.293 -11.160 0.493 1.00 64.52 C ATOM 1334 CD2 TRP A 86 10.991 -9.076 0.923 1.00 20.12 C ATOM 1335 NE1 TRP A 86 9.615 -10.308 -0.345 1.00 61.40 N ATOM 1336 CE2 TRP A 86 10.024 -9.024 -0.100 1.00 64.32 C ATOM 1337 CE3 TRP A 86 11.571 -7.883 1.362 1.00 25.23 C ATOM 1338 CZ2 TRP A 86 9.628 -7.827 -0.690 1.00 5.23 C ATOM 1339 CZ3 TRP A 86 11.178 -6.696 0.776 1.00 53.52 C ATOM 1340 CH2 TRP A 86 10.213 -6.674 -0.240 1.00 63.15 C ATOM 0 H TRP A 86 11.082 -13.292 2.055 1.00 60.14 H new ATOM 0 HA TRP A 86 11.963 -11.752 4.345 1.00 22.33 H new ATOM 0 HB2 TRP A 86 12.643 -10.185 2.770 1.00 44.32 H new ATOM 0 HB3 TRP A 86 12.781 -11.679 1.863 1.00 44.32 H new ATOM 0 HD1 TRP A 86 10.168 -12.232 0.519 1.00 64.52 H new ATOM 0 HE1 TRP A 86 8.920 -10.587 -1.037 1.00 61.40 H new ATOM 0 HE3 TRP A 86 12.314 -7.889 2.146 1.00 25.23 H new ATOM 0 HZ2 TRP A 86 8.886 -7.809 -1.475 1.00 5.23 H new ATOM 0 HZ3 TRP A 86 11.622 -5.769 1.106 1.00 53.52 H new ATOM 0 HH2 TRP A 86 9.925 -5.729 -0.676 1.00 63.15 H new ATOM 1351 N ARG A 87 8.940 -11.509 3.179 1.00 22.34 N ATOM 1352 CA ARG A 87 7.627 -10.920 3.409 1.00 53.40 C ATOM 1353 C ARG A 87 6.896 -11.642 4.537 1.00 60.32 C ATOM 1354 O ARG A 87 6.072 -11.052 5.234 1.00 5.04 O ATOM 1355 CB ARG A 87 6.790 -10.972 2.129 1.00 1.53 C ATOM 1356 CG ARG A 87 6.602 -12.377 1.581 1.00 2.30 C ATOM 1357 CD ARG A 87 5.459 -12.436 0.580 1.00 44.34 C ATOM 1358 NE ARG A 87 5.689 -11.558 -0.565 1.00 72.10 N ATOM 1359 CZ ARG A 87 4.768 -11.294 -1.485 1.00 73.52 C ATOM 1360 NH1 ARG A 87 3.562 -11.838 -1.395 1.00 55.42 N ATOM 1361 NH2 ARG A 87 5.052 -10.485 -2.498 1.00 22.53 N ATOM 0 H ARG A 87 8.942 -12.294 2.527 1.00 22.34 H new ATOM 0 HA ARG A 87 7.770 -9.879 3.700 1.00 53.40 H new ATOM 0 HB2 ARG A 87 5.812 -10.534 2.327 1.00 1.53 H new ATOM 0 HB3 ARG A 87 7.267 -10.355 1.368 1.00 1.53 H new ATOM 0 HG2 ARG A 87 7.524 -12.708 1.103 1.00 2.30 H new ATOM 0 HG3 ARG A 87 6.404 -13.066 2.402 1.00 2.30 H new ATOM 0 HD2 ARG A 87 5.335 -13.461 0.232 1.00 44.34 H new ATOM 0 HD3 ARG A 87 4.530 -12.152 1.074 1.00 44.34 H new ATOM 0 HE ARG A 87 6.607 -11.124 -0.663 1.00 72.10 H new ATOM 0 HH11 ARG A 87 3.340 -12.461 -0.618 1.00 55.42 H new ATOM 0 HH12 ARG A 87 2.856 -11.634 -2.103 1.00 55.42 H new ATOM 0 HH21 ARG A 87 5.979 -10.065 -2.571 1.00 22.53 H new ATOM 0 HH22 ARG A 87 4.344 -10.283 -3.204 1.00 22.53 H new ATOM 1375 N ASN A 88 7.204 -12.924 4.709 1.00 54.14 N ATOM 1376 CA ASN A 88 6.575 -13.728 5.751 1.00 44.32 C ATOM 1377 C ASN A 88 6.949 -13.210 7.136 1.00 11.25 C ATOM 1378 O ASN A 88 6.080 -12.854 7.932 1.00 75.32 O ATOM 1379 CB ASN A 88 6.991 -15.194 5.613 1.00 14.20 C ATOM 1380 CG ASN A 88 5.982 -16.009 4.826 1.00 3.32 C ATOM 1381 OD1 ASN A 88 4.908 -16.341 5.328 1.00 5.24 O ATOM 1382 ND2 ASN A 88 6.325 -16.335 3.585 1.00 32.14 N ATOM 0 H ASN A 88 7.885 -13.428 4.141 1.00 54.14 H new ATOM 0 HA ASN A 88 5.494 -13.651 5.633 1.00 44.32 H new ATOM 0 HB2 ASN A 88 7.962 -15.249 5.120 1.00 14.20 H new ATOM 0 HB3 ASN A 88 7.112 -15.630 6.605 1.00 14.20 H new ATOM 0 HD21 ASN A 88 5.687 -16.882 3.007 1.00 32.14 H new ATOM 0 HD22 ASN A 88 7.226 -16.038 3.210 1.00 32.14 H new TER 1389 ASN A 88