USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 361 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -170:sc= -0.366 (180deg=-0.56) USER MOD Single : A 2 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.66) USER MOD Single : A 7 LYS NZ :NH3+ -133:sc=-0.00305 (180deg=-0.821) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.057 (180deg=-0.057) USER MOD Single : A 11 THR OG1 : rot 61:sc= 1.31 USER MOD Single : A 14 ASN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 17 THR OG1 : rot -33:sc= 0.426 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.273) USER MOD Single : A 32 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.087) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -0.0491 (180deg=-1.71!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.326 2.723 9.036 1.00 0.00 N ATOM 2 CA ARG A 1 -7.993 1.499 8.519 1.00 0.00 C ATOM 3 C ARG A 1 -8.582 1.736 7.132 1.00 0.00 C ATOM 4 O ARG A 1 -8.101 1.188 6.140 1.00 0.00 O ATOM 5 CB ARG A 1 -9.095 1.095 9.499 1.00 0.00 C ATOM 6 CG ARG A 1 -8.581 0.759 10.889 1.00 0.00 C ATOM 7 CD ARG A 1 -8.671 1.957 11.821 1.00 0.00 C ATOM 8 NE ARG A 1 -9.950 2.008 12.525 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.160 2.722 13.628 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.181 3.445 14.157 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.354 2.713 14.206 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.792 2.490 9.897 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.675 3.095 8.315 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.044 3.442 9.258 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.257 0.700 8.430 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.818 1.907 9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.627 0.232 9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.158 -0.068 11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.546 0.424 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -7.859 1.913 12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.536 2.874 11.247 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.727 1.465 12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -8.260 3.456 13.718 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.349 3.990 15.003 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -12.111 2.159 13.805 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.515 3.260 15.052 1.00 0.00 H new ATOM 27 N GLN A 2 -9.626 2.556 7.071 1.00 0.00 N ATOM 28 CA GLN A 2 -10.282 2.866 5.805 1.00 0.00 C ATOM 29 C GLN A 2 -10.320 4.373 5.567 1.00 0.00 C ATOM 30 O GLN A 2 -11.355 5.014 5.749 1.00 0.00 O ATOM 31 CB GLN A 2 -11.703 2.299 5.790 1.00 0.00 C ATOM 32 CG GLN A 2 -11.752 0.780 5.836 1.00 0.00 C ATOM 33 CD GLN A 2 -10.926 0.137 4.739 1.00 0.00 C ATOM 34 OE1 GLN A 2 -10.852 0.647 3.621 1.00 0.00 O ATOM 35 NE2 GLN A 2 -10.298 -0.990 5.054 1.00 0.00 N ATOM 0 H GLN A 2 -10.036 3.018 7.883 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.706 2.404 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.254 2.698 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.213 2.644 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -11.391 0.438 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.787 0.451 5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.387 -1.378 5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.727 -1.468 4.357 1.00 0.00 H new ATOM 44 N PRO A 3 -9.192 4.957 5.126 1.00 0.00 N ATOM 45 CA PRO A 3 -9.086 6.373 4.827 1.00 0.00 C ATOM 46 C PRO A 3 -9.431 6.624 3.374 1.00 0.00 C ATOM 47 O PRO A 3 -9.381 5.691 2.577 1.00 0.00 O ATOM 48 CB PRO A 3 -7.605 6.675 5.096 1.00 0.00 C ATOM 49 CG PRO A 3 -6.904 5.343 5.133 1.00 0.00 C ATOM 50 CD PRO A 3 -7.931 4.281 4.822 1.00 0.00 C ATOM 0 HA PRO A 3 -9.760 6.996 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.190 7.312 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.481 7.206 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.093 5.316 4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.459 5.171 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.882 3.963 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.791 3.390 5.434 1.00 0.00 H new ATOM 58 N ARG A 4 -9.756 7.865 3.005 1.00 0.00 N ATOM 59 CA ARG A 4 -10.071 8.149 1.608 1.00 0.00 C ATOM 60 C ARG A 4 -8.989 7.523 0.733 1.00 0.00 C ATOM 61 O ARG A 4 -7.880 8.048 0.631 1.00 0.00 O ATOM 62 CB ARG A 4 -10.142 9.658 1.366 1.00 0.00 C ATOM 63 CG ARG A 4 -11.197 10.063 0.350 1.00 0.00 C ATOM 64 CD ARG A 4 -12.587 10.073 0.965 1.00 0.00 C ATOM 65 NE ARG A 4 -13.634 10.171 -0.049 1.00 0.00 N ATOM 66 CZ ARG A 4 -13.931 9.196 -0.905 1.00 0.00 C ATOM 67 NH1 ARG A 4 -13.264 8.049 -0.872 1.00 0.00 N ATOM 68 NH2 ARG A 4 -14.898 9.368 -1.796 1.00 0.00 N ATOM 0 H ARG A 4 -9.807 8.666 3.634 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.044 7.726 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.349 10.160 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.168 10.009 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.965 11.053 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.176 9.373 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.732 9.164 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.672 10.912 1.656 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.169 11.038 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.520 7.911 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.496 7.305 -1.530 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.414 10.247 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.126 8.621 -2.452 1.00 0.00 H new ATOM 82 N PRO A 5 -9.286 6.368 0.115 1.00 0.00 N ATOM 83 CA PRO A 5 -8.330 5.653 -0.717 1.00 0.00 C ATOM 84 C PRO A 5 -8.359 6.099 -2.175 1.00 0.00 C ATOM 85 O PRO A 5 -9.392 6.016 -2.840 1.00 0.00 O ATOM 86 CB PRO A 5 -8.795 4.213 -0.534 1.00 0.00 C ATOM 87 CG PRO A 5 -10.280 4.321 -0.479 1.00 0.00 C ATOM 88 CD PRO A 5 -10.578 5.646 0.185 1.00 0.00 C ATOM 0 HA PRO A 5 -7.290 5.823 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.471 3.580 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.392 3.776 0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.711 4.280 -1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.710 3.495 0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.368 6.187 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.908 5.513 1.215 1.00 0.00 H new ATOM 96 N ALA A 6 -7.218 6.571 -2.666 1.00 0.00 N ATOM 97 CA ALA A 6 -7.110 7.031 -4.045 1.00 0.00 C ATOM 98 C ALA A 6 -6.399 5.992 -4.911 1.00 0.00 C ATOM 99 O ALA A 6 -6.373 4.809 -4.573 1.00 0.00 O ATOM 100 CB ALA A 6 -6.382 8.367 -4.094 1.00 0.00 C ATOM 0 H ALA A 6 -6.354 6.645 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.114 7.167 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.306 8.702 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.936 9.105 -3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.382 8.252 -3.676 1.00 0.00 H new ATOM 106 N LYS A 7 -5.818 6.435 -6.025 1.00 0.00 N ATOM 107 CA LYS A 7 -5.109 5.528 -6.919 1.00 0.00 C ATOM 108 C LYS A 7 -3.610 5.605 -6.671 1.00 0.00 C ATOM 109 O LYS A 7 -3.032 6.688 -6.625 1.00 0.00 O ATOM 110 CB LYS A 7 -5.416 5.867 -8.382 1.00 0.00 C ATOM 111 CG LYS A 7 -4.597 5.066 -9.397 1.00 0.00 C ATOM 112 CD LYS A 7 -3.185 5.624 -9.586 1.00 0.00 C ATOM 113 CE LYS A 7 -3.174 7.139 -9.744 1.00 0.00 C ATOM 114 NZ LYS A 7 -2.176 7.584 -10.755 1.00 0.00 N ATOM 0 H LYS A 7 -5.825 7.409 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.448 4.512 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.476 5.693 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.234 6.930 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.533 4.029 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.115 5.065 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.570 5.347 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.732 5.167 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.166 7.481 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.949 7.603 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.620 8.374 -10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.541 6.794 -10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.669 7.895 -11.616 1.00 0.00 H new ATOM 128 N TYR A 8 -2.995 4.440 -6.520 1.00 0.00 N ATOM 129 CA TYR A 8 -1.564 4.336 -6.278 1.00 0.00 C ATOM 130 C TYR A 8 -1.024 3.049 -6.876 1.00 0.00 C ATOM 131 O TYR A 8 -1.785 2.194 -7.322 1.00 0.00 O ATOM 132 CB TYR A 8 -1.265 4.401 -4.778 1.00 0.00 C ATOM 133 CG TYR A 8 -1.488 5.775 -4.187 1.00 0.00 C ATOM 134 CD1 TYR A 8 -1.124 6.917 -4.888 1.00 0.00 C ATOM 135 CD2 TYR A 8 -2.071 5.932 -2.936 1.00 0.00 C ATOM 136 CE1 TYR A 8 -1.333 8.174 -4.364 1.00 0.00 C ATOM 137 CE2 TYR A 8 -2.284 7.190 -2.403 1.00 0.00 C ATOM 138 CZ TYR A 8 -1.914 8.308 -3.121 1.00 0.00 C ATOM 139 OH TYR A 8 -2.124 9.561 -2.594 1.00 0.00 O ATOM 0 H TYR A 8 -3.475 3.541 -6.562 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.067 5.178 -6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.896 3.681 -4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.231 4.102 -4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.669 6.818 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.362 5.059 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.043 9.050 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.738 7.297 -1.429 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.543 9.479 -1.712 1.00 0.00 H new ATOM 149 N LYS A 9 0.291 2.917 -6.900 1.00 0.00 N ATOM 150 CA LYS A 9 0.911 1.730 -7.457 1.00 0.00 C ATOM 151 C LYS A 9 1.687 0.978 -6.382 1.00 0.00 C ATOM 152 O LYS A 9 2.549 1.540 -5.705 1.00 0.00 O ATOM 153 CB LYS A 9 1.822 2.115 -8.619 1.00 0.00 C ATOM 154 CG LYS A 9 2.584 0.943 -9.213 1.00 0.00 C ATOM 155 CD LYS A 9 2.046 0.561 -10.583 1.00 0.00 C ATOM 156 CE LYS A 9 0.694 -0.126 -10.478 1.00 0.00 C ATOM 157 NZ LYS A 9 0.288 -0.751 -11.767 1.00 0.00 N ATOM 0 H LYS A 9 0.945 3.613 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 9 0.132 1.067 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.222 2.580 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.535 2.865 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.640 1.199 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.515 0.086 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.955 1.454 -11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.754 -0.101 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.734 -0.889 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.060 0.600 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.639 -1.209 -11.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.225 -0.019 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.994 -1.462 -12.045 1.00 0.00 H new ATOM 171 N PHE A 10 1.351 -0.296 -6.228 1.00 0.00 N ATOM 172 CA PHE A 10 1.976 -1.156 -5.233 1.00 0.00 C ATOM 173 C PHE A 10 1.731 -2.618 -5.589 1.00 0.00 C ATOM 174 O PHE A 10 0.975 -2.913 -6.510 1.00 0.00 O ATOM 175 CB PHE A 10 1.413 -0.845 -3.835 1.00 0.00 C ATOM 176 CG PHE A 10 0.474 -1.899 -3.309 1.00 0.00 C ATOM 177 CD1 PHE A 10 -0.572 -2.362 -4.091 1.00 0.00 C ATOM 178 CD2 PHE A 10 0.648 -2.434 -2.046 1.00 0.00 C ATOM 179 CE1 PHE A 10 -1.425 -3.340 -3.626 1.00 0.00 C ATOM 180 CE2 PHE A 10 -0.206 -3.413 -1.572 1.00 0.00 C ATOM 181 CZ PHE A 10 -1.244 -3.866 -2.366 1.00 0.00 C ATOM 0 H PHE A 10 0.638 -0.762 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 10 3.050 -0.969 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.242 -0.730 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.889 0.110 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.721 -1.951 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.458 -2.084 -1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.234 -3.693 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.063 -3.823 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.912 -4.631 -1.998 1.00 0.00 H new ATOM 191 N THR A 11 2.351 -3.528 -4.848 1.00 0.00 N ATOM 192 CA THR A 11 2.167 -4.955 -5.092 1.00 0.00 C ATOM 193 C THR A 11 1.552 -5.649 -3.874 1.00 0.00 C ATOM 194 O THR A 11 2.181 -5.739 -2.819 1.00 0.00 O ATOM 195 CB THR A 11 3.504 -5.609 -5.444 1.00 0.00 C ATOM 196 OG1 THR A 11 3.323 -6.975 -5.774 1.00 0.00 O ATOM 197 CG2 THR A 11 4.519 -5.538 -4.324 1.00 0.00 C ATOM 0 H THR A 11 2.982 -3.307 -4.078 1.00 0.00 H new ATOM 0 HA THR A 11 1.481 -5.066 -5.932 1.00 0.00 H new ATOM 0 HB THR A 11 3.886 -5.044 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.734 -7.048 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.444 -6.020 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.719 -4.495 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.126 -6.048 -3.444 1.00 0.00 H new ATOM 205 N ASP A 12 0.325 -6.153 -4.033 1.00 0.00 N ATOM 206 CA ASP A 12 -0.371 -6.860 -2.952 1.00 0.00 C ATOM 207 C ASP A 12 0.547 -7.904 -2.320 1.00 0.00 C ATOM 208 O ASP A 12 1.653 -8.144 -2.803 1.00 0.00 O ATOM 209 CB ASP A 12 -1.625 -7.544 -3.499 1.00 0.00 C ATOM 210 CG ASP A 12 -2.759 -6.567 -3.743 1.00 0.00 C ATOM 211 OD1 ASP A 12 -2.696 -5.825 -4.745 1.00 0.00 O ATOM 212 OD2 ASP A 12 -3.708 -6.544 -2.932 1.00 0.00 O ATOM 0 H ASP A 12 -0.208 -6.085 -4.900 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.657 -6.134 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.380 -8.052 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.954 -8.309 -2.796 1.00 0.00 H new ATOM 217 N VAL A 13 0.084 -8.528 -1.245 1.00 0.00 N ATOM 218 CA VAL A 13 0.872 -9.547 -0.561 1.00 0.00 C ATOM 219 C VAL A 13 0.939 -10.838 -1.368 1.00 0.00 C ATOM 220 O VAL A 13 1.717 -11.739 -1.054 1.00 0.00 O ATOM 221 CB VAL A 13 0.299 -9.859 0.831 1.00 0.00 C ATOM 222 CG1 VAL A 13 -1.101 -10.435 0.700 1.00 0.00 C ATOM 223 CG2 VAL A 13 1.211 -10.814 1.584 1.00 0.00 C ATOM 0 H VAL A 13 -0.829 -8.348 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 13 1.878 -9.140 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 13 0.240 -8.933 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.499 -10.653 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.746 -9.712 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.063 -11.353 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.788 -11.022 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.305 -11.745 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.195 -10.361 1.701 1.00 0.00 H new ATOM 233 N ASN A 14 0.114 -10.925 -2.398 1.00 0.00 N ATOM 234 CA ASN A 14 0.069 -12.105 -3.242 1.00 0.00 C ATOM 235 C ASN A 14 0.867 -11.905 -4.528 1.00 0.00 C ATOM 236 O ASN A 14 0.999 -12.825 -5.336 1.00 0.00 O ATOM 237 CB ASN A 14 -1.383 -12.426 -3.563 1.00 0.00 C ATOM 238 CG ASN A 14 -1.675 -13.913 -3.510 1.00 0.00 C ATOM 239 OD1 ASN A 14 -1.980 -14.534 -4.528 1.00 0.00 O ATOM 240 ND2 ASN A 14 -1.583 -14.491 -2.318 1.00 0.00 N ATOM 0 H ASN A 14 -0.536 -10.188 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 14 0.524 -12.938 -2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.031 -11.906 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.624 -12.047 -4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.768 -15.489 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.327 -13.937 -1.501 1.00 0.00 H new ATOM 247 N GLY A 15 1.403 -10.701 -4.713 1.00 0.00 N ATOM 248 CA GLY A 15 2.184 -10.415 -5.903 1.00 0.00 C ATOM 249 C GLY A 15 1.426 -9.589 -6.928 1.00 0.00 C ATOM 250 O GLY A 15 1.925 -9.353 -8.028 1.00 0.00 O ATOM 0 H GLY A 15 1.310 -9.921 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.091 -9.884 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.496 -11.354 -6.360 1.00 0.00 H new ATOM 254 N GLU A 16 0.222 -9.146 -6.573 1.00 0.00 N ATOM 255 CA GLU A 16 -0.588 -8.342 -7.482 1.00 0.00 C ATOM 256 C GLU A 16 0.055 -6.976 -7.705 1.00 0.00 C ATOM 257 O GLU A 16 1.216 -6.765 -7.354 1.00 0.00 O ATOM 258 CB GLU A 16 -2.005 -8.170 -6.929 1.00 0.00 C ATOM 259 CG GLU A 16 -2.571 -9.432 -6.296 1.00 0.00 C ATOM 260 CD GLU A 16 -3.879 -9.868 -6.928 1.00 0.00 C ATOM 261 OE1 GLU A 16 -4.854 -9.090 -6.872 1.00 0.00 O ATOM 262 OE2 GLU A 16 -3.927 -10.987 -7.480 1.00 0.00 O ATOM 0 H GLU A 16 -0.211 -9.329 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.646 -8.863 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.002 -7.372 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.665 -7.852 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.842 -10.237 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.726 -9.261 -5.231 1.00 0.00 H new ATOM 269 N THR A 17 -0.701 -6.052 -8.288 1.00 0.00 N ATOM 270 CA THR A 17 -0.190 -4.712 -8.550 1.00 0.00 C ATOM 271 C THR A 17 -1.325 -3.730 -8.828 1.00 0.00 C ATOM 272 O THR A 17 -1.706 -3.522 -9.980 1.00 0.00 O ATOM 273 CB THR A 17 0.776 -4.737 -9.735 1.00 0.00 C ATOM 274 OG1 THR A 17 1.693 -5.810 -9.612 1.00 0.00 O ATOM 275 CG2 THR A 17 1.579 -3.462 -9.880 1.00 0.00 C ATOM 0 H THR A 17 -1.664 -6.205 -8.587 1.00 0.00 H new ATOM 0 HA THR A 17 0.340 -4.377 -7.659 1.00 0.00 H new ATOM 0 HB THR A 17 0.147 -4.854 -10.618 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.891 -5.964 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.244 -3.547 -10.739 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.902 -2.620 -10.026 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.170 -3.300 -8.979 1.00 0.00 H new ATOM 283 N LYS A 18 -1.868 -3.129 -7.770 1.00 0.00 N ATOM 284 CA LYS A 18 -2.962 -2.173 -7.924 1.00 0.00 C ATOM 285 C LYS A 18 -2.822 -0.985 -6.974 1.00 0.00 C ATOM 286 O LYS A 18 -1.739 -0.707 -6.461 1.00 0.00 O ATOM 287 CB LYS A 18 -4.303 -2.866 -7.693 1.00 0.00 C ATOM 288 CG LYS A 18 -5.288 -2.641 -8.830 1.00 0.00 C ATOM 289 CD LYS A 18 -4.829 -3.321 -10.113 1.00 0.00 C ATOM 290 CE LYS A 18 -4.453 -4.778 -9.879 1.00 0.00 C ATOM 291 NZ LYS A 18 -4.425 -5.556 -11.148 1.00 0.00 N ATOM 0 H LYS A 18 -1.572 -3.285 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.918 -1.790 -8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.137 -3.936 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.739 -2.501 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.268 -3.025 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.403 -1.571 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.623 -3.266 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.972 -2.786 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.475 -4.828 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.167 -5.231 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.165 -6.542 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.365 -5.530 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.725 -5.140 -11.795 1.00 0.00 H new ATOM 305 N THR A 19 -3.935 -0.288 -6.750 1.00 0.00 N ATOM 306 CA THR A 19 -3.957 0.868 -5.866 1.00 0.00 C ATOM 307 C THR A 19 -4.070 0.432 -4.437 1.00 0.00 C ATOM 308 O THR A 19 -4.911 -0.397 -4.087 1.00 0.00 O ATOM 309 CB THR A 19 -5.096 1.782 -6.244 1.00 0.00 C ATOM 310 OG1 THR A 19 -6.351 1.190 -5.955 1.00 0.00 O ATOM 311 CG2 THR A 19 -5.045 2.093 -7.701 1.00 0.00 C ATOM 0 H THR A 19 -4.837 -0.509 -7.173 1.00 0.00 H new ATOM 0 HA THR A 19 -3.022 1.418 -5.976 1.00 0.00 H new ATOM 0 HB THR A 19 -4.988 2.695 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.070 1.806 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.872 2.753 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.101 2.585 -7.935 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.125 1.169 -8.273 1.00 0.00 H new ATOM 319 N TRP A 20 -3.175 0.943 -3.626 1.00 0.00 N ATOM 320 CA TRP A 20 -3.135 0.546 -2.250 1.00 0.00 C ATOM 321 C TRP A 20 -2.581 1.637 -1.343 1.00 0.00 C ATOM 322 O TRP A 20 -1.546 2.237 -1.631 1.00 0.00 O ATOM 323 CB TRP A 20 -2.282 -0.700 -2.216 1.00 0.00 C ATOM 324 CG TRP A 20 -2.504 -1.581 -1.025 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.462 -2.541 -0.876 1.00 0.00 C ATOM 326 CD2 TRP A 20 -1.735 -1.594 0.177 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.338 -3.144 0.352 1.00 0.00 N ATOM 328 CE2 TRP A 20 -2.286 -2.577 1.018 1.00 0.00 C ATOM 329 CE3 TRP A 20 -0.635 -0.866 0.621 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -1.771 -2.848 2.282 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -0.122 -1.136 1.875 1.00 0.00 C ATOM 332 CH2 TRP A 20 -0.692 -2.119 2.694 1.00 0.00 C ATOM 0 H TRP A 20 -2.471 1.630 -3.898 1.00 0.00 H new ATOM 0 HA TRP A 20 -4.139 0.358 -1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.473 -1.279 -3.119 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.233 -0.406 -2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -4.209 -2.790 -1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.933 -3.892 0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.191 -0.104 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.208 -3.607 2.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.733 -0.580 2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -0.270 -2.304 3.671 1.00 0.00 H new ATOM 343 N THR A 21 -3.276 1.871 -0.239 1.00 0.00 N ATOM 344 CA THR A 21 -2.865 2.865 0.744 1.00 0.00 C ATOM 345 C THR A 21 -2.915 2.243 2.136 1.00 0.00 C ATOM 346 O THR A 21 -1.978 2.357 2.926 1.00 0.00 O ATOM 347 CB THR A 21 -3.770 4.101 0.672 1.00 0.00 C ATOM 348 OG1 THR A 21 -3.262 5.141 1.488 1.00 0.00 O ATOM 349 CG2 THR A 21 -5.196 3.833 1.107 1.00 0.00 C ATOM 0 H THR A 21 -4.137 1.380 0.001 1.00 0.00 H new ATOM 0 HA THR A 21 -1.845 3.185 0.529 1.00 0.00 H new ATOM 0 HB THR A 21 -3.779 4.388 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.852 5.922 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.778 4.751 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.635 3.070 0.464 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.202 3.485 2.140 1.00 0.00 H new ATOM 357 N GLY A 22 -4.025 1.569 2.405 1.00 0.00 N ATOM 358 CA GLY A 22 -4.235 0.895 3.669 1.00 0.00 C ATOM 359 C GLY A 22 -5.411 -0.061 3.568 1.00 0.00 C ATOM 360 O GLY A 22 -6.451 0.156 4.191 1.00 0.00 O ATOM 0 H GLY A 22 -4.802 1.477 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.336 0.347 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.420 1.629 4.454 1.00 0.00 H new ATOM 364 N GLN A 23 -5.260 -1.101 2.748 1.00 0.00 N ATOM 365 CA GLN A 23 -6.332 -2.071 2.527 1.00 0.00 C ATOM 366 C GLN A 23 -6.445 -3.061 3.683 1.00 0.00 C ATOM 367 O GLN A 23 -7.335 -2.947 4.526 1.00 0.00 O ATOM 368 CB GLN A 23 -6.100 -2.822 1.205 1.00 0.00 C ATOM 369 CG GLN A 23 -7.372 -3.043 0.403 1.00 0.00 C ATOM 370 CD GLN A 23 -7.675 -1.893 -0.537 1.00 0.00 C ATOM 371 OE1 GLN A 23 -6.930 -0.915 -0.601 1.00 0.00 O ATOM 372 NE2 GLN A 23 -8.775 -2.004 -1.273 1.00 0.00 N ATOM 0 H GLN A 23 -4.405 -1.293 2.226 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.272 -1.521 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.390 -2.261 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.643 -3.788 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.279 -3.964 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.210 -3.179 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.364 -2.832 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.031 -1.261 -1.923 1.00 0.00 H new ATOM 381 N GLY A 24 -5.545 -4.031 3.715 1.00 0.00 N ATOM 382 CA GLY A 24 -5.558 -5.031 4.763 1.00 0.00 C ATOM 383 C GLY A 24 -4.317 -5.886 4.707 1.00 0.00 C ATOM 384 O GLY A 24 -3.506 -5.883 5.633 1.00 0.00 O ATOM 0 H GLY A 24 -4.800 -4.144 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.625 -4.543 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.442 -5.660 4.660 1.00 0.00 H new ATOM 388 N ARG A 25 -4.150 -6.594 3.597 1.00 0.00 N ATOM 389 CA ARG A 25 -2.978 -7.426 3.405 1.00 0.00 C ATOM 390 C ARG A 25 -1.754 -6.533 3.293 1.00 0.00 C ATOM 391 O ARG A 25 -1.698 -5.657 2.432 1.00 0.00 O ATOM 392 CB ARG A 25 -3.126 -8.287 2.146 1.00 0.00 C ATOM 393 CG ARG A 25 -2.824 -7.546 0.849 1.00 0.00 C ATOM 394 CD ARG A 25 -3.594 -8.134 -0.322 1.00 0.00 C ATOM 395 NE ARG A 25 -4.966 -7.635 -0.382 1.00 0.00 N ATOM 396 CZ ARG A 25 -5.855 -8.019 -1.294 1.00 0.00 C ATOM 397 NH1 ARG A 25 -5.522 -8.906 -2.224 1.00 0.00 N ATOM 398 NH2 ARG A 25 -7.082 -7.515 -1.277 1.00 0.00 N ATOM 0 H ARG A 25 -4.811 -6.606 2.821 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.867 -8.096 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.460 -9.146 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.143 -8.676 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.081 -6.493 0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.755 -7.593 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.079 -7.892 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.607 -9.221 -0.238 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.259 -6.952 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.580 -9.297 -2.242 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.208 -9.197 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.343 -6.833 -0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.764 -7.809 -1.976 1.00 0.00 H new ATOM 412 N THR A 26 -0.780 -6.739 4.163 1.00 0.00 N ATOM 413 CA THR A 26 0.418 -5.924 4.134 1.00 0.00 C ATOM 414 C THR A 26 1.557 -6.672 3.468 1.00 0.00 C ATOM 415 O THR A 26 2.369 -7.308 4.140 1.00 0.00 O ATOM 416 CB THR A 26 0.817 -5.494 5.545 1.00 0.00 C ATOM 417 OG1 THR A 26 -0.164 -5.887 6.490 1.00 0.00 O ATOM 418 CG2 THR A 26 1.005 -3.998 5.670 1.00 0.00 C ATOM 0 H THR A 26 -0.796 -7.455 4.889 1.00 0.00 H new ATOM 0 HA THR A 26 0.204 -5.029 3.551 1.00 0.00 H new ATOM 0 HB THR A 26 1.768 -5.988 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.113 -5.603 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.288 -3.751 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.790 -3.672 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.073 -3.492 5.419 1.00 0.00 H new ATOM 426 N PRO A 27 1.639 -6.606 2.126 1.00 0.00 N ATOM 427 CA PRO A 27 2.689 -7.277 1.370 1.00 0.00 C ATOM 428 C PRO A 27 4.044 -7.130 2.057 1.00 0.00 C ATOM 429 O PRO A 27 4.324 -6.110 2.681 1.00 0.00 O ATOM 430 CB PRO A 27 2.667 -6.567 0.003 1.00 0.00 C ATOM 431 CG PRO A 27 1.631 -5.491 0.108 1.00 0.00 C ATOM 432 CD PRO A 27 0.727 -5.879 1.237 1.00 0.00 C ATOM 0 HA PRO A 27 2.527 -8.352 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.644 -6.145 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.422 -7.267 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.095 -4.523 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.071 -5.399 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.289 -5.009 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.099 -6.505 0.901 1.00 0.00 H new ATOM 440 N LYS A 28 4.861 -8.170 1.969 1.00 0.00 N ATOM 441 CA LYS A 28 6.172 -8.182 2.615 1.00 0.00 C ATOM 442 C LYS A 28 6.932 -6.864 2.435 1.00 0.00 C ATOM 443 O LYS A 28 7.356 -6.256 3.419 1.00 0.00 O ATOM 444 CB LYS A 28 7.001 -9.358 2.095 1.00 0.00 C ATOM 445 CG LYS A 28 6.224 -10.669 2.018 1.00 0.00 C ATOM 446 CD LYS A 28 5.194 -10.793 3.137 1.00 0.00 C ATOM 447 CE LYS A 28 4.996 -12.241 3.553 1.00 0.00 C ATOM 448 NZ LYS A 28 4.818 -13.138 2.378 1.00 0.00 N ATOM 0 H LYS A 28 4.640 -9.022 1.454 1.00 0.00 H new ATOM 0 HA LYS A 28 6.004 -8.301 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.382 -9.113 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.866 -9.496 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.720 -10.735 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.920 -11.506 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.517 -10.207 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.243 -10.375 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.856 -12.572 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.124 -12.316 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.391 -14.034 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.195 -12.680 1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.743 -13.327 1.943 1.00 0.00 H new ATOM 462 N PRO A 29 7.120 -6.393 1.190 1.00 0.00 N ATOM 463 CA PRO A 29 7.836 -5.137 0.935 1.00 0.00 C ATOM 464 C PRO A 29 7.161 -3.942 1.602 1.00 0.00 C ATOM 465 O PRO A 29 7.773 -3.229 2.401 1.00 0.00 O ATOM 466 CB PRO A 29 7.798 -4.994 -0.592 1.00 0.00 C ATOM 467 CG PRO A 29 6.699 -5.897 -1.043 1.00 0.00 C ATOM 468 CD PRO A 29 6.659 -7.028 -0.056 1.00 0.00 C ATOM 0 HA PRO A 29 8.847 -5.159 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.605 -3.962 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.751 -5.280 -1.038 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.746 -5.368 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.887 -6.266 -2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.655 -7.439 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.310 -7.849 -0.356 1.00 0.00 H new ATOM 476 N ILE A 30 5.893 -3.729 1.271 1.00 0.00 N ATOM 477 CA ILE A 30 5.128 -2.625 1.835 1.00 0.00 C ATOM 478 C ILE A 30 5.018 -2.747 3.352 1.00 0.00 C ATOM 479 O ILE A 30 4.958 -1.743 4.062 1.00 0.00 O ATOM 480 CB ILE A 30 3.712 -2.563 1.236 1.00 0.00 C ATOM 481 CG1 ILE A 30 3.786 -2.524 -0.297 1.00 0.00 C ATOM 482 CG2 ILE A 30 2.957 -1.359 1.786 1.00 0.00 C ATOM 483 CD1 ILE A 30 3.704 -1.131 -0.887 1.00 0.00 C ATOM 0 H ILE A 30 5.372 -4.309 0.613 1.00 0.00 H new ATOM 0 HA ILE A 30 5.664 -1.710 1.585 1.00 0.00 H new ATOM 0 HB ILE A 30 3.164 -3.461 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.719 -2.987 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.975 -3.127 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.957 -1.328 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.881 -1.441 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.492 -0.445 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.764 -1.192 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.759 -0.670 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.531 -0.528 -0.512 1.00 0.00 H new ATOM 495 N ALA A 31 4.984 -3.982 3.841 1.00 0.00 N ATOM 496 CA ALA A 31 4.874 -4.235 5.272 1.00 0.00 C ATOM 497 C ALA A 31 5.983 -3.524 6.035 1.00 0.00 C ATOM 498 O ALA A 31 5.744 -2.924 7.081 1.00 0.00 O ATOM 499 CB ALA A 31 4.913 -5.730 5.548 1.00 0.00 C ATOM 0 H ALA A 31 5.031 -4.824 3.267 1.00 0.00 H new ATOM 0 HA ALA A 31 3.918 -3.840 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.830 -5.904 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.083 -6.216 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.854 -6.143 5.185 1.00 0.00 H new ATOM 505 N GLN A 32 7.196 -3.590 5.500 1.00 0.00 N ATOM 506 CA GLN A 32 8.340 -2.944 6.128 1.00 0.00 C ATOM 507 C GLN A 32 8.161 -1.428 6.134 1.00 0.00 C ATOM 508 O GLN A 32 8.392 -0.768 7.148 1.00 0.00 O ATOM 509 CB GLN A 32 9.628 -3.320 5.391 1.00 0.00 C ATOM 510 CG GLN A 32 10.875 -2.651 5.950 1.00 0.00 C ATOM 511 CD GLN A 32 11.857 -2.255 4.865 1.00 0.00 C ATOM 512 OE1 GLN A 32 13.043 -2.577 4.937 1.00 0.00 O ATOM 513 NE2 GLN A 32 11.366 -1.551 3.850 1.00 0.00 N ATOM 0 H GLN A 32 7.412 -4.084 4.634 1.00 0.00 H new ATOM 0 HA GLN A 32 8.410 -3.289 7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.757 -4.401 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.525 -3.053 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.586 -1.765 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.365 -3.329 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.376 -1.306 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.979 -1.256 3.090 1.00 0.00 H new ATOM 522 N ALA A 33 7.744 -0.884 4.995 1.00 0.00 N ATOM 523 CA ALA A 33 7.532 0.554 4.871 1.00 0.00 C ATOM 524 C ALA A 33 6.384 1.023 5.758 1.00 0.00 C ATOM 525 O ALA A 33 6.489 2.043 6.438 1.00 0.00 O ATOM 526 CB ALA A 33 7.264 0.924 3.420 1.00 0.00 C ATOM 0 H ALA A 33 7.547 -1.415 4.147 1.00 0.00 H new ATOM 0 HA ALA A 33 8.440 1.058 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.108 2.000 3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.118 0.636 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.374 0.402 3.070 1.00 0.00 H new ATOM 532 N LEU A 34 5.287 0.273 5.743 1.00 0.00 N ATOM 533 CA LEU A 34 4.116 0.614 6.543 1.00 0.00 C ATOM 534 C LEU A 34 4.364 0.337 8.022 1.00 0.00 C ATOM 535 O LEU A 34 3.920 1.090 8.889 1.00 0.00 O ATOM 536 CB LEU A 34 2.899 -0.175 6.060 1.00 0.00 C ATOM 537 CG LEU A 34 1.990 0.580 5.091 1.00 0.00 C ATOM 538 CD1 LEU A 34 0.804 -0.283 4.694 1.00 0.00 C ATOM 539 CD2 LEU A 34 1.522 1.887 5.713 1.00 0.00 C ATOM 0 H LEU A 34 5.184 -0.575 5.186 1.00 0.00 H new ATOM 0 HA LEU A 34 3.922 1.680 6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.244 -1.088 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.312 -0.477 6.927 1.00 0.00 H new ATOM 0 HG LEU A 34 2.558 0.814 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.167 0.270 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.161 -1.192 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.232 -0.547 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.876 2.413 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.968 1.677 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.386 2.509 5.946 1.00 0.00 H new ATOM 551 N ALA A 35 5.076 -0.747 8.301 1.00 0.00 N ATOM 552 CA ALA A 35 5.385 -1.124 9.676 1.00 0.00 C ATOM 553 C ALA A 35 6.185 -0.032 10.376 1.00 0.00 C ATOM 554 O ALA A 35 6.152 0.087 11.601 1.00 0.00 O ATOM 555 CB ALA A 35 6.148 -2.440 9.707 1.00 0.00 C ATOM 0 H ALA A 35 5.451 -1.381 7.595 1.00 0.00 H new ATOM 0 HA ALA A 35 4.444 -1.251 10.211 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.371 -2.707 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.541 -3.223 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.079 -2.334 9.151 1.00 0.00 H new ATOM 561 N GLU A 36 6.900 0.770 9.592 1.00 0.00 N ATOM 562 CA GLU A 36 7.702 1.857 10.142 1.00 0.00 C ATOM 563 C GLU A 36 6.813 3.013 10.597 1.00 0.00 C ATOM 564 O GLU A 36 7.242 3.869 11.371 1.00 0.00 O ATOM 565 CB GLU A 36 8.706 2.353 9.101 1.00 0.00 C ATOM 566 CG GLU A 36 10.066 1.679 9.195 1.00 0.00 C ATOM 567 CD GLU A 36 9.970 0.166 9.184 1.00 0.00 C ATOM 568 OE1 GLU A 36 9.266 -0.391 10.053 1.00 0.00 O ATOM 569 OE2 GLU A 36 10.600 -0.463 8.308 1.00 0.00 O ATOM 0 H GLU A 36 6.940 0.688 8.576 1.00 0.00 H new ATOM 0 HA GLU A 36 8.243 1.475 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.296 2.186 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.835 3.429 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.688 2.006 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.564 2.001 10.109 1.00 0.00 H new ATOM 576 N GLY A 37 5.572 3.030 10.116 1.00 0.00 N ATOM 577 CA GLY A 37 4.647 4.084 10.489 1.00 0.00 C ATOM 578 C GLY A 37 4.326 5.024 9.340 1.00 0.00 C ATOM 579 O GLY A 37 3.504 5.929 9.486 1.00 0.00 O ATOM 0 H GLY A 37 5.192 2.333 9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.723 3.637 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.071 4.658 11.313 1.00 0.00 H new ATOM 583 N LYS A 38 4.972 4.815 8.197 1.00 0.00 N ATOM 584 CA LYS A 38 4.744 5.657 7.028 1.00 0.00 C ATOM 585 C LYS A 38 3.630 5.091 6.152 1.00 0.00 C ATOM 586 O LYS A 38 3.389 3.884 6.138 1.00 0.00 O ATOM 587 CB LYS A 38 6.031 5.791 6.212 1.00 0.00 C ATOM 588 CG LYS A 38 7.234 6.215 7.039 1.00 0.00 C ATOM 589 CD LYS A 38 8.105 5.026 7.408 1.00 0.00 C ATOM 590 CE LYS A 38 9.216 4.813 6.393 1.00 0.00 C ATOM 591 NZ LYS A 38 10.491 4.400 7.042 1.00 0.00 N ATOM 0 H LYS A 38 5.656 4.072 8.056 1.00 0.00 H new ATOM 0 HA LYS A 38 4.438 6.643 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.248 4.837 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.873 6.519 5.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.825 6.940 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.895 6.714 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.538 5.184 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.490 4.128 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.911 4.051 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.376 5.734 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.251 5.053 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.378 4.424 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.736 3.435 6.743 1.00 0.00 H new ATOM 605 N SER A 39 2.959 5.974 5.419 1.00 0.00 N ATOM 606 CA SER A 39 1.874 5.569 4.532 1.00 0.00 C ATOM 607 C SER A 39 2.410 5.259 3.138 1.00 0.00 C ATOM 608 O SER A 39 3.596 5.440 2.863 1.00 0.00 O ATOM 609 CB SER A 39 0.818 6.673 4.449 1.00 0.00 C ATOM 610 OG SER A 39 -0.442 6.145 4.069 1.00 0.00 O ATOM 0 H SER A 39 3.148 6.976 5.422 1.00 0.00 H new ATOM 0 HA SER A 39 1.416 4.668 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.731 7.171 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.132 7.428 3.728 1.00 0.00 H new ATOM 0 HG SER A 39 -1.100 6.870 4.025 1.00 0.00 H new ATOM 616 N LEU A 40 1.529 4.787 2.267 1.00 0.00 N ATOM 617 CA LEU A 40 1.905 4.445 0.899 1.00 0.00 C ATOM 618 C LEU A 40 2.338 5.670 0.104 1.00 0.00 C ATOM 619 O LEU A 40 2.922 5.550 -0.974 1.00 0.00 O ATOM 620 CB LEU A 40 0.742 3.757 0.200 1.00 0.00 C ATOM 621 CG LEU A 40 0.731 2.243 0.350 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.024 1.652 -0.191 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.524 1.852 1.808 1.00 0.00 C ATOM 0 H LEU A 40 0.544 4.631 2.483 1.00 0.00 H new ATOM 0 HA LEU A 40 2.757 3.768 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.192 4.157 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.772 4.005 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.100 1.840 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.004 0.568 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.126 1.905 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.870 2.059 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.519 0.766 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.333 2.261 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.428 2.249 2.159 1.00 0.00 H new ATOM 635 N ASP A 41 2.046 6.846 0.637 1.00 0.00 N ATOM 636 CA ASP A 41 2.401 8.097 -0.025 1.00 0.00 C ATOM 637 C ASP A 41 3.882 8.115 -0.402 1.00 0.00 C ATOM 638 O ASP A 41 4.287 8.819 -1.326 1.00 0.00 O ATOM 639 CB ASP A 41 2.080 9.287 0.881 1.00 0.00 C ATOM 640 CG ASP A 41 2.606 9.099 2.291 1.00 0.00 C ATOM 641 OD1 ASP A 41 3.547 8.298 2.471 1.00 0.00 O ATOM 642 OD2 ASP A 41 2.077 9.753 3.214 1.00 0.00 O ATOM 0 H ASP A 41 1.563 6.963 1.528 1.00 0.00 H new ATOM 0 HA ASP A 41 1.811 8.174 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.511 10.192 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.000 9.433 0.915 1.00 0.00 H new ATOM 647 N ASP A 42 4.683 7.329 0.312 1.00 0.00 N ATOM 648 CA ASP A 42 6.113 7.250 0.042 1.00 0.00 C ATOM 649 C ASP A 42 6.372 6.504 -1.264 1.00 0.00 C ATOM 650 O ASP A 42 7.280 6.853 -2.019 1.00 0.00 O ATOM 651 CB ASP A 42 6.835 6.552 1.195 1.00 0.00 C ATOM 652 CG ASP A 42 7.194 7.509 2.315 1.00 0.00 C ATOM 653 OD1 ASP A 42 6.349 8.360 2.663 1.00 0.00 O ATOM 654 OD2 ASP A 42 8.321 7.407 2.844 1.00 0.00 O ATOM 0 H ASP A 42 4.365 6.739 1.081 1.00 0.00 H new ATOM 0 HA ASP A 42 6.499 8.265 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.202 5.757 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.743 6.080 0.819 1.00 0.00 H new ATOM 659 N PHE A 43 5.567 5.478 -1.526 1.00 0.00 N ATOM 660 CA PHE A 43 5.708 4.685 -2.743 1.00 0.00 C ATOM 661 C PHE A 43 4.561 4.957 -3.714 1.00 0.00 C ATOM 662 O PHE A 43 4.280 4.146 -4.596 1.00 0.00 O ATOM 663 CB PHE A 43 5.757 3.190 -2.409 1.00 0.00 C ATOM 664 CG PHE A 43 6.717 2.839 -1.304 1.00 0.00 C ATOM 665 CD1 PHE A 43 7.787 3.667 -0.998 1.00 0.00 C ATOM 666 CD2 PHE A 43 6.548 1.674 -0.574 1.00 0.00 C ATOM 667 CE1 PHE A 43 8.667 3.339 0.015 1.00 0.00 C ATOM 668 CE2 PHE A 43 7.425 1.340 0.440 1.00 0.00 C ATOM 669 CZ PHE A 43 8.486 2.174 0.735 1.00 0.00 C ATOM 0 H PHE A 43 4.810 5.176 -0.912 1.00 0.00 H new ATOM 0 HA PHE A 43 6.644 4.976 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.758 2.859 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.034 2.637 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.934 4.579 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.720 1.018 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.496 3.993 0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.281 0.428 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.173 1.916 1.527 1.00 0.00 H new ATOM 679 N LEU A 44 3.898 6.098 -3.546 1.00 0.00 N ATOM 680 CA LEU A 44 2.783 6.464 -4.411 1.00 0.00 C ATOM 681 C LEU A 44 3.241 6.623 -5.859 1.00 0.00 C ATOM 682 O LEU A 44 4.083 7.468 -6.166 1.00 0.00 O ATOM 683 CB LEU A 44 2.125 7.757 -3.915 1.00 0.00 C ATOM 684 CG LEU A 44 2.818 9.055 -4.336 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.304 9.520 -5.693 1.00 0.00 C ATOM 686 CD2 LEU A 44 2.606 10.133 -3.284 1.00 0.00 C ATOM 0 H LEU A 44 4.113 6.782 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 44 2.049 5.659 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.097 7.782 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.080 7.726 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 44 3.888 8.864 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.808 10.444 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.506 8.753 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.230 9.696 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.105 11.050 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.539 10.322 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.022 9.800 -2.333 1.00 0.00 H new ATOM 698 N ILE A 45 2.680 5.804 -6.743 1.00 0.00 N ATOM 699 CA ILE A 45 3.025 5.847 -8.162 1.00 0.00 C ATOM 700 C ILE A 45 4.537 5.832 -8.367 1.00 0.00 C ATOM 701 O ILE A 45 5.248 5.317 -7.478 1.00 0.00 O ATOM 702 CB ILE A 45 2.436 7.098 -8.847 1.00 0.00 C ATOM 703 CG1 ILE A 45 0.990 7.324 -8.396 1.00 0.00 C ATOM 704 CG2 ILE A 45 2.508 6.959 -10.362 1.00 0.00 C ATOM 705 CD1 ILE A 45 0.069 6.164 -8.710 1.00 0.00 C ATOM 706 OXT ILE A 45 4.999 6.333 -9.414 1.00 0.00 O ATOM 0 H ILE A 45 1.982 5.100 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 45 2.594 4.955 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 45 3.028 7.965 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.978 7.506 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.605 8.223 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.088 7.850 -10.829 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.548 6.844 -10.668 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.939 6.083 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.938 6.394 -8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.051 5.995 -9.787 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.430 5.267 -8.208 1.00 0.00 H new TER 718 ILE A 45