USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 486 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 NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0504) USER MOD Set 1.2: A 22 GLN : amide:sc= -3.39! X(o=-3.4!,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.00328 (180deg=0) USER MOD Single : A 2 SER OG : rot 69:sc= 0.528 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.21! X(o=-3.2!,f=-2.7) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.63) USER MOD Single : A 30 GLN : amide:sc= -0.913! K(o=-0.91!,f=-1.5) USER MOD Single : A 34 SER OG : rot -74:sc= 1.22 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -145:sc= -0.638 (180deg=-2.43!) USER MOD Single : A 50 GLN : amide:sc= -0.589 K(o=-0.59,f=-4.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-7.5!) USER MOD Single : A 58 MET CE :methyl -170:sc= 0 (180deg=-0.00399) USER MOD Single : A 62 SER OG : rot 146:sc= 1.17 USER MOD Single : A 65 SER OG : rot 47:sc= 0.392 USER MOD Single : A 66 SER OG : rot -58:sc= 0.0963 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.363 -34.216 6.862 1.00 0.00 N ATOM 2 CA GLY A 1 -2.915 -34.235 6.771 1.00 0.00 C ATOM 3 C GLY A 1 -2.403 -35.388 5.931 1.00 0.00 C ATOM 4 O GLY A 1 -2.951 -35.683 4.869 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.700 -33.232 6.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.768 -34.743 6.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.661 -34.658 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.568 -33.295 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.492 -34.303 7.773 1.00 0.00 H new ATOM 8 N SER A 2 -1.348 -36.041 6.407 1.00 0.00 N ATOM 9 CA SER A 2 -0.758 -37.166 5.689 1.00 0.00 C ATOM 10 C SER A 2 -0.722 -36.894 4.188 1.00 0.00 C ATOM 11 O SER A 2 -1.017 -37.774 3.380 1.00 0.00 O ATOM 12 CB SER A 2 -1.546 -38.447 5.968 1.00 0.00 C ATOM 13 OG SER A 2 -2.761 -38.467 5.238 1.00 0.00 O ATOM 0 H SER A 2 -0.884 -35.811 7.286 1.00 0.00 H new ATOM 0 HA SER A 2 0.265 -37.294 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.943 -39.314 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.757 -38.523 7.035 1.00 0.00 H new ATOM 0 HG SER A 2 -2.567 -38.560 4.282 1.00 0.00 H new ATOM 19 N SER A 3 -0.358 -35.669 3.824 1.00 0.00 N ATOM 20 CA SER A 3 -0.286 -35.278 2.421 1.00 0.00 C ATOM 21 C SER A 3 1.134 -35.434 1.885 1.00 0.00 C ATOM 22 O SER A 3 1.341 -35.937 0.782 1.00 0.00 O ATOM 23 CB SER A 3 -0.753 -33.832 2.248 1.00 0.00 C ATOM 24 OG SER A 3 -2.164 -33.762 2.128 1.00 0.00 O ATOM 0 H SER A 3 -0.108 -34.930 4.481 1.00 0.00 H new ATOM 0 HA SER A 3 -0.944 -35.935 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.428 -33.237 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.288 -33.400 1.362 1.00 0.00 H new ATOM 0 HG SER A 3 -2.437 -32.827 2.020 1.00 0.00 H new ATOM 30 N GLY A 4 2.109 -34.996 2.676 1.00 0.00 N ATOM 31 CA GLY A 4 3.497 -35.095 2.265 1.00 0.00 C ATOM 32 C GLY A 4 4.081 -33.753 1.868 1.00 0.00 C ATOM 33 O GLY A 4 4.108 -32.819 2.669 1.00 0.00 O ATOM 0 H GLY A 4 1.962 -34.575 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.085 -35.517 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.576 -35.785 1.425 1.00 0.00 H new ATOM 37 N SER A 5 4.552 -33.658 0.629 1.00 0.00 N ATOM 38 CA SER A 5 5.144 -32.423 0.129 1.00 0.00 C ATOM 39 C SER A 5 4.068 -31.374 -0.136 1.00 0.00 C ATOM 40 O SER A 5 2.922 -31.706 -0.438 1.00 0.00 O ATOM 41 CB SER A 5 5.935 -32.693 -1.152 1.00 0.00 C ATOM 42 OG SER A 5 7.239 -33.163 -0.856 1.00 0.00 O ATOM 0 H SER A 5 4.535 -34.422 -0.047 1.00 0.00 H new ATOM 0 HA SER A 5 5.822 -32.039 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.409 -33.429 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.000 -31.779 -1.743 1.00 0.00 H new ATOM 0 HG SER A 5 7.724 -33.330 -1.691 1.00 0.00 H new ATOM 48 N SER A 6 4.447 -30.105 -0.021 1.00 0.00 N ATOM 49 CA SER A 6 3.515 -29.006 -0.245 1.00 0.00 C ATOM 50 C SER A 6 4.020 -28.081 -1.348 1.00 0.00 C ATOM 51 O SER A 6 3.348 -27.877 -2.358 1.00 0.00 O ATOM 52 CB SER A 6 3.311 -28.212 1.048 1.00 0.00 C ATOM 53 OG SER A 6 2.515 -28.936 1.970 1.00 0.00 O ATOM 0 H SER A 6 5.393 -29.813 0.226 1.00 0.00 H new ATOM 0 HA SER A 6 2.561 -29.429 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.278 -27.986 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.834 -27.258 0.822 1.00 0.00 H new ATOM 0 HG SER A 6 2.401 -28.409 2.788 1.00 0.00 H new ATOM 59 N GLY A 7 5.210 -27.524 -1.146 1.00 0.00 N ATOM 60 CA GLY A 7 5.786 -26.627 -2.131 1.00 0.00 C ATOM 61 C GLY A 7 6.107 -25.262 -1.555 1.00 0.00 C ATOM 62 O GLY A 7 6.479 -25.145 -0.388 1.00 0.00 O ATOM 0 H GLY A 7 5.785 -27.678 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.696 -27.071 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.092 -26.512 -2.963 1.00 0.00 H new ATOM 66 N SER A 8 5.963 -24.226 -2.377 1.00 0.00 N ATOM 67 CA SER A 8 6.246 -22.863 -1.944 1.00 0.00 C ATOM 68 C SER A 8 5.301 -22.443 -0.821 1.00 0.00 C ATOM 69 O SER A 8 4.118 -22.194 -1.052 1.00 0.00 O ATOM 70 CB SER A 8 6.119 -21.895 -3.122 1.00 0.00 C ATOM 71 OG SER A 8 7.017 -22.238 -4.163 1.00 0.00 O ATOM 0 H SER A 8 5.652 -24.305 -3.345 1.00 0.00 H new ATOM 0 HA SER A 8 7.268 -22.832 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.097 -21.909 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.320 -20.878 -2.785 1.00 0.00 H new ATOM 0 HG SER A 8 6.915 -21.606 -4.905 1.00 0.00 H new ATOM 77 N ARG A 9 5.834 -22.366 0.394 1.00 0.00 N ATOM 78 CA ARG A 9 5.040 -21.978 1.553 1.00 0.00 C ATOM 79 C ARG A 9 4.845 -20.465 1.596 1.00 0.00 C ATOM 80 O ARG A 9 5.812 -19.704 1.588 1.00 0.00 O ATOM 81 CB ARG A 9 5.714 -22.453 2.842 1.00 0.00 C ATOM 82 CG ARG A 9 5.441 -23.912 3.170 1.00 0.00 C ATOM 83 CD ARG A 9 5.968 -24.281 4.548 1.00 0.00 C ATOM 84 NE ARG A 9 7.404 -24.549 4.531 1.00 0.00 N ATOM 85 CZ ARG A 9 8.028 -25.265 5.459 1.00 0.00 C ATOM 86 NH1 ARG A 9 7.347 -25.783 6.472 1.00 0.00 N ATOM 87 NH2 ARG A 9 9.337 -25.466 5.375 1.00 0.00 N ATOM 0 H ARG A 9 6.812 -22.567 0.601 1.00 0.00 H new ATOM 0 HA ARG A 9 4.062 -22.451 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.790 -22.304 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.372 -21.833 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.368 -24.101 3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.908 -24.549 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.759 -23.470 5.245 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.439 -25.161 4.915 1.00 0.00 H new ATOM 0 HE ARG A 9 7.957 -24.165 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.341 -25.632 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.830 -26.332 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.865 -25.070 4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.815 -26.016 6.088 1.00 0.00 H new ATOM 101 N SER A 10 3.587 -20.037 1.641 1.00 0.00 N ATOM 102 CA SER A 10 3.264 -18.615 1.681 1.00 0.00 C ATOM 103 C SER A 10 2.330 -18.303 2.845 1.00 0.00 C ATOM 104 O SER A 10 1.735 -19.203 3.438 1.00 0.00 O ATOM 105 CB SER A 10 2.619 -18.180 0.363 1.00 0.00 C ATOM 106 OG SER A 10 1.404 -18.874 0.137 1.00 0.00 O ATOM 0 H SER A 10 2.775 -20.654 1.651 1.00 0.00 H new ATOM 0 HA SER A 10 4.191 -18.060 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.430 -17.107 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.307 -18.367 -0.461 1.00 0.00 H new ATOM 0 HG SER A 10 1.011 -18.577 -0.710 1.00 0.00 H new ATOM 112 N LYS A 11 2.206 -17.020 3.168 1.00 0.00 N ATOM 113 CA LYS A 11 1.343 -16.585 4.260 1.00 0.00 C ATOM 114 C LYS A 11 -0.118 -16.563 3.824 1.00 0.00 C ATOM 115 O LYS A 11 -0.940 -17.318 4.341 1.00 0.00 O ATOM 116 CB LYS A 11 1.763 -15.196 4.747 1.00 0.00 C ATOM 117 CG LYS A 11 0.761 -14.554 5.691 1.00 0.00 C ATOM 118 CD LYS A 11 1.041 -14.924 7.137 1.00 0.00 C ATOM 119 CE LYS A 11 -0.240 -14.983 7.956 1.00 0.00 C ATOM 120 NZ LYS A 11 -1.036 -16.204 7.651 1.00 0.00 N ATOM 0 H LYS A 11 2.693 -16.263 2.689 1.00 0.00 H new ATOM 0 HA LYS A 11 1.448 -17.297 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.727 -15.273 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.905 -14.545 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.796 -13.470 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.247 -14.870 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.543 -15.891 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.721 -14.194 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.006 -14.966 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.842 -14.097 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.787 -16.315 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.463 -16.113 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.414 -17.038 7.671 1.00 0.00 H new ATOM 134 N GLN A 12 -0.433 -15.693 2.869 1.00 0.00 N ATOM 135 CA GLN A 12 -1.795 -15.574 2.364 1.00 0.00 C ATOM 136 C GLN A 12 -2.337 -16.934 1.936 1.00 0.00 C ATOM 137 O GLN A 12 -2.066 -17.402 0.830 1.00 0.00 O ATOM 138 CB GLN A 12 -1.841 -14.600 1.186 1.00 0.00 C ATOM 139 CG GLN A 12 -3.168 -14.604 0.444 1.00 0.00 C ATOM 140 CD GLN A 12 -3.500 -13.257 -0.166 1.00 0.00 C ATOM 141 OE1 GLN A 12 -3.039 -12.927 -1.260 1.00 0.00 O ATOM 142 NE2 GLN A 12 -4.304 -12.469 0.538 1.00 0.00 N ATOM 0 H GLN A 12 0.237 -15.061 2.430 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.422 -15.190 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.641 -13.592 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.043 -14.850 0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.137 -15.357 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.963 -14.893 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.663 -12.782 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.562 -11.551 0.177 1.00 0.00 H new ATOM 151 N LYS A 13 -3.105 -17.563 2.819 1.00 0.00 N ATOM 152 CA LYS A 13 -3.688 -18.869 2.533 1.00 0.00 C ATOM 153 C LYS A 13 -4.994 -18.725 1.760 1.00 0.00 C ATOM 154 O LYS A 13 -5.518 -19.700 1.220 1.00 0.00 O ATOM 155 CB LYS A 13 -3.935 -19.636 3.835 1.00 0.00 C ATOM 156 CG LYS A 13 -5.040 -19.041 4.690 1.00 0.00 C ATOM 157 CD LYS A 13 -4.481 -18.132 5.771 1.00 0.00 C ATOM 158 CE LYS A 13 -4.265 -18.884 7.075 1.00 0.00 C ATOM 159 NZ LYS A 13 -5.539 -19.082 7.820 1.00 0.00 N ATOM 0 H LYS A 13 -3.338 -17.190 3.739 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.982 -19.427 1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.188 -20.669 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.012 -19.660 4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.726 -18.477 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.617 -19.843 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.536 -17.704 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.166 -17.300 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.813 -19.853 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.561 -18.333 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.348 -19.598 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.958 -18.157 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.202 -19.630 7.235 1.00 0.00 H new ATOM 173 N SER A 14 -5.515 -17.503 1.709 1.00 0.00 N ATOM 174 CA SER A 14 -6.762 -17.232 1.003 1.00 0.00 C ATOM 175 C SER A 14 -6.988 -15.731 0.856 1.00 0.00 C ATOM 176 O SER A 14 -7.214 -15.026 1.841 1.00 0.00 O ATOM 177 CB SER A 14 -7.940 -17.867 1.745 1.00 0.00 C ATOM 178 OG SER A 14 -9.123 -17.810 0.966 1.00 0.00 O ATOM 0 H SER A 14 -5.093 -16.685 2.148 1.00 0.00 H new ATOM 0 HA SER A 14 -6.690 -17.670 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.707 -18.905 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.099 -17.351 2.692 1.00 0.00 H new ATOM 0 HG SER A 14 -9.861 -18.223 1.461 1.00 0.00 H new ATOM 184 N ARG A 15 -6.925 -15.247 -0.380 1.00 0.00 N ATOM 185 CA ARG A 15 -7.121 -13.830 -0.657 1.00 0.00 C ATOM 186 C ARG A 15 -8.340 -13.294 0.088 1.00 0.00 C ATOM 187 O ARG A 15 -8.361 -12.139 0.513 1.00 0.00 O ATOM 188 CB ARG A 15 -7.287 -13.600 -2.161 1.00 0.00 C ATOM 189 CG ARG A 15 -6.059 -13.978 -2.973 1.00 0.00 C ATOM 190 CD ARG A 15 -6.068 -13.309 -4.339 1.00 0.00 C ATOM 191 NE ARG A 15 -5.386 -14.115 -5.348 1.00 0.00 N ATOM 192 CZ ARG A 15 -5.968 -15.108 -6.011 1.00 0.00 C ATOM 193 NH1 ARG A 15 -7.235 -15.415 -5.773 1.00 0.00 N ATOM 194 NH2 ARG A 15 -5.281 -15.795 -6.915 1.00 0.00 N ATOM 0 H ARG A 15 -6.740 -15.816 -1.206 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.239 -13.292 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.140 -14.178 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.519 -12.549 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.159 -13.688 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.022 -15.060 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.098 -13.134 -4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.587 -12.334 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.410 -13.904 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.766 -14.888 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.679 -16.178 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.306 -15.561 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.728 -16.558 -7.424 1.00 0.00 H new ATOM 208 N ARG A 16 -9.353 -14.140 0.240 1.00 0.00 N ATOM 209 CA ARG A 16 -10.576 -13.751 0.932 1.00 0.00 C ATOM 210 C ARG A 16 -10.257 -12.982 2.210 1.00 0.00 C ATOM 211 O ARG A 16 -10.947 -12.024 2.559 1.00 0.00 O ATOM 212 CB ARG A 16 -11.415 -14.987 1.264 1.00 0.00 C ATOM 213 CG ARG A 16 -12.873 -14.673 1.557 1.00 0.00 C ATOM 214 CD ARG A 16 -13.777 -15.843 1.204 1.00 0.00 C ATOM 215 NE ARG A 16 -13.882 -16.803 2.300 1.00 0.00 N ATOM 216 CZ ARG A 16 -14.701 -17.849 2.286 1.00 0.00 C ATOM 217 NH1 ARG A 16 -15.482 -18.068 1.237 1.00 0.00 N ATOM 218 NH2 ARG A 16 -14.740 -18.677 3.321 1.00 0.00 N ATOM 0 H ARG A 16 -9.351 -15.099 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.146 -13.100 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.363 -15.686 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.980 -15.490 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.988 -14.428 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.178 -13.793 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.770 -15.471 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.390 -16.346 0.318 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.294 -16.662 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.455 -17.433 0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.110 -18.872 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.141 -18.511 4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.369 -19.480 3.309 1.00 0.00 H new ATOM 232 N ARG A 17 -9.207 -13.409 2.905 1.00 0.00 N ATOM 233 CA ARG A 17 -8.798 -12.761 4.146 1.00 0.00 C ATOM 234 C ARG A 17 -7.472 -12.028 3.964 1.00 0.00 C ATOM 235 O ARG A 17 -6.661 -12.391 3.111 1.00 0.00 O ATOM 236 CB ARG A 17 -8.672 -13.794 5.267 1.00 0.00 C ATOM 237 CG ARG A 17 -9.947 -14.584 5.513 1.00 0.00 C ATOM 238 CD ARG A 17 -9.957 -15.209 6.899 1.00 0.00 C ATOM 239 NE ARG A 17 -11.251 -15.802 7.223 1.00 0.00 N ATOM 240 CZ ARG A 17 -11.615 -17.023 6.848 1.00 0.00 C ATOM 241 NH1 ARG A 17 -10.786 -17.777 6.139 1.00 0.00 N ATOM 242 NH2 ARG A 17 -12.810 -17.493 7.182 1.00 0.00 N ATOM 0 H ARG A 17 -8.625 -14.200 2.630 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.562 -12.033 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.867 -14.487 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.386 -13.285 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.810 -13.927 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.043 -15.366 4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.183 -15.974 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.711 -14.449 7.641 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.912 -15.248 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.866 -17.420 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.068 -18.714 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.451 -16.916 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.088 -18.431 6.893 1.00 0.00 H new ATOM 256 N CYS A 18 -7.257 -10.995 4.772 1.00 0.00 N ATOM 257 CA CYS A 18 -6.031 -10.210 4.701 1.00 0.00 C ATOM 258 C CYS A 18 -4.802 -11.111 4.776 1.00 0.00 C ATOM 259 O CYS A 18 -4.901 -12.284 5.139 1.00 0.00 O ATOM 260 CB CYS A 18 -5.993 -9.181 5.833 1.00 0.00 C ATOM 261 SG CYS A 18 -4.684 -7.927 5.655 1.00 0.00 S ATOM 0 H CYS A 18 -7.917 -10.682 5.484 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.019 -9.688 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.959 -8.678 5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.855 -9.703 6.780 1.00 0.00 H new ATOM 266 N PHE A 19 -3.645 -10.556 4.432 1.00 0.00 N ATOM 267 CA PHE A 19 -2.397 -11.309 4.460 1.00 0.00 C ATOM 268 C PHE A 19 -1.549 -10.911 5.665 1.00 0.00 C ATOM 269 O PHE A 19 -0.488 -11.486 5.906 1.00 0.00 O ATOM 270 CB PHE A 19 -1.609 -11.079 3.169 1.00 0.00 C ATOM 271 CG PHE A 19 -0.120 -11.154 3.354 1.00 0.00 C ATOM 272 CD1 PHE A 19 0.558 -10.152 4.028 1.00 0.00 C ATOM 273 CD2 PHE A 19 0.600 -12.226 2.853 1.00 0.00 C ATOM 274 CE1 PHE A 19 1.928 -10.218 4.199 1.00 0.00 C ATOM 275 CE2 PHE A 19 1.970 -12.298 3.021 1.00 0.00 C ATOM 276 CZ PHE A 19 2.635 -11.292 3.696 1.00 0.00 C ATOM 0 H PHE A 19 -3.546 -9.587 4.130 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.642 -12.368 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.913 -11.820 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.868 -10.101 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.010 -9.310 4.424 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.085 -13.015 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.445 -9.430 4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.520 -13.139 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.705 -11.346 3.830 1.00 0.00 H new ATOM 286 N GLN A 20 -2.024 -9.923 6.415 1.00 0.00 N ATOM 287 CA GLN A 20 -1.309 -9.447 7.593 1.00 0.00 C ATOM 288 C GLN A 20 -2.106 -9.726 8.864 1.00 0.00 C ATOM 289 O GLN A 20 -1.546 -10.125 9.885 1.00 0.00 O ATOM 290 CB GLN A 20 -1.026 -7.948 7.474 1.00 0.00 C ATOM 291 CG GLN A 20 0.250 -7.512 8.175 1.00 0.00 C ATOM 292 CD GLN A 20 0.864 -6.274 7.553 1.00 0.00 C ATOM 293 OE1 GLN A 20 0.455 -5.150 7.846 1.00 0.00 O ATOM 294 NE2 GLN A 20 1.852 -6.473 6.689 1.00 0.00 N ATOM 0 H GLN A 20 -2.901 -9.436 6.228 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.363 -9.985 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.960 -7.682 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.867 -7.394 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.034 -7.317 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.974 -8.327 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.159 -7.422 6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.304 -5.677 6.239 1.00 0.00 H new ATOM 303 N CYS A 21 -3.416 -9.513 8.793 1.00 0.00 N ATOM 304 CA CYS A 21 -4.291 -9.740 9.937 1.00 0.00 C ATOM 305 C CYS A 21 -5.253 -10.892 9.665 1.00 0.00 C ATOM 306 O CYS A 21 -5.954 -11.354 10.565 1.00 0.00 O ATOM 307 CB CYS A 21 -5.078 -8.470 10.264 1.00 0.00 C ATOM 308 SG CYS A 21 -6.201 -7.928 8.935 1.00 0.00 S ATOM 0 H CYS A 21 -3.895 -9.183 7.955 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.669 -10.003 10.792 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.660 -8.639 11.170 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.375 -7.666 10.482 1.00 0.00 H new ATOM 313 N GLN A 22 -5.280 -11.352 8.418 1.00 0.00 N ATOM 314 CA GLN A 22 -6.157 -12.449 8.028 1.00 0.00 C ATOM 315 C GLN A 22 -7.608 -12.140 8.383 1.00 0.00 C ATOM 316 O GLN A 22 -8.360 -13.024 8.795 1.00 0.00 O ATOM 317 CB GLN A 22 -5.718 -13.747 8.709 1.00 0.00 C ATOM 318 CG GLN A 22 -4.216 -13.975 8.674 1.00 0.00 C ATOM 319 CD GLN A 22 -3.716 -14.358 7.294 1.00 0.00 C ATOM 320 OE1 GLN A 22 -4.135 -15.367 6.728 1.00 0.00 O ATOM 321 NE2 GLN A 22 -2.815 -13.551 6.746 1.00 0.00 N ATOM 0 H GLN A 22 -4.705 -10.982 7.661 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.085 -12.571 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.051 -13.733 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.216 -14.587 8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.707 -13.069 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.955 -14.761 9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.496 -12.725 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.442 -13.757 5.819 1.00 0.00 H new ATOM 330 N THR A 23 -7.996 -10.879 8.220 1.00 0.00 N ATOM 331 CA THR A 23 -9.356 -10.453 8.525 1.00 0.00 C ATOM 332 C THR A 23 -10.279 -10.665 7.330 1.00 0.00 C ATOM 333 O THR A 23 -9.860 -10.542 6.179 1.00 0.00 O ATOM 334 CB THR A 23 -9.400 -8.969 8.936 1.00 0.00 C ATOM 335 OG1 THR A 23 -10.621 -8.690 9.631 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.286 -8.066 7.718 1.00 0.00 C ATOM 0 H THR A 23 -7.387 -10.135 7.878 1.00 0.00 H new ATOM 0 HA THR A 23 -9.700 -11.064 9.359 1.00 0.00 H new ATOM 0 HB THR A 23 -8.554 -8.772 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.641 -7.745 9.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.320 -7.023 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.343 -8.261 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.114 -8.266 7.038 1.00 0.00 H new ATOM 344 N LYS A 24 -11.538 -10.983 7.611 1.00 0.00 N ATOM 345 CA LYS A 24 -12.522 -11.211 6.560 1.00 0.00 C ATOM 346 C LYS A 24 -12.655 -9.984 5.663 1.00 0.00 C ATOM 347 O LYS A 24 -12.867 -8.870 6.145 1.00 0.00 O ATOM 348 CB LYS A 24 -13.882 -11.557 7.172 1.00 0.00 C ATOM 349 CG LYS A 24 -14.070 -13.041 7.433 1.00 0.00 C ATOM 350 CD LYS A 24 -15.201 -13.295 8.416 1.00 0.00 C ATOM 351 CE LYS A 24 -14.749 -13.084 9.853 1.00 0.00 C ATOM 352 NZ LYS A 24 -15.705 -13.676 10.829 1.00 0.00 N ATOM 0 H LYS A 24 -11.901 -11.089 8.558 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.179 -12.049 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.998 -11.014 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.671 -11.211 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.281 -13.553 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.144 -13.463 7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.034 -12.628 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.568 -14.314 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.764 -13.530 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.646 -12.017 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.361 -13.511 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.639 -13.232 10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.785 -14.699 10.660 1.00 0.00 H new ATOM 366 N LEU A 25 -12.529 -10.195 4.358 1.00 0.00 N ATOM 367 CA LEU A 25 -12.637 -9.106 3.393 1.00 0.00 C ATOM 368 C LEU A 25 -13.928 -9.215 2.589 1.00 0.00 C ATOM 369 O LEU A 25 -14.201 -10.245 1.973 1.00 0.00 O ATOM 370 CB LEU A 25 -11.433 -9.113 2.449 1.00 0.00 C ATOM 371 CG LEU A 25 -10.065 -9.292 3.108 1.00 0.00 C ATOM 372 CD1 LEU A 25 -9.011 -9.635 2.067 1.00 0.00 C ATOM 373 CD2 LEU A 25 -9.673 -8.036 3.872 1.00 0.00 C ATOM 0 H LEU A 25 -12.352 -11.110 3.943 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.653 -8.166 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.571 -9.913 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.427 -8.175 1.894 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.130 -10.119 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.044 -9.759 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.285 -10.562 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.947 -8.830 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.697 -8.181 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.627 -7.191 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.414 -7.834 4.645 1.00 0.00 H new ATOM 385 N GLU A 26 -14.718 -8.146 2.599 1.00 0.00 N ATOM 386 CA GLU A 26 -15.981 -8.123 1.869 1.00 0.00 C ATOM 387 C GLU A 26 -15.739 -8.176 0.364 1.00 0.00 C ATOM 388 O GLU A 26 -14.672 -7.795 -0.120 1.00 0.00 O ATOM 389 CB GLU A 26 -16.778 -6.867 2.225 1.00 0.00 C ATOM 390 CG GLU A 26 -17.288 -6.855 3.657 1.00 0.00 C ATOM 391 CD GLU A 26 -16.165 -6.850 4.676 1.00 0.00 C ATOM 392 OE1 GLU A 26 -15.638 -5.758 4.971 1.00 0.00 O ATOM 393 OE2 GLU A 26 -15.814 -7.939 5.178 1.00 0.00 O ATOM 0 H GLU A 26 -14.506 -7.285 3.104 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.556 -9.003 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.150 -5.991 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.626 -6.780 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -17.915 -5.976 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.919 -7.728 3.821 1.00 0.00 H new ATOM 400 N LEU A 27 -16.737 -8.652 -0.373 1.00 0.00 N ATOM 401 CA LEU A 27 -16.635 -8.756 -1.825 1.00 0.00 C ATOM 402 C LEU A 27 -16.053 -7.479 -2.422 1.00 0.00 C ATOM 403 O LEU A 27 -15.250 -7.527 -3.354 1.00 0.00 O ATOM 404 CB LEU A 27 -18.009 -9.038 -2.434 1.00 0.00 C ATOM 405 CG LEU A 27 -18.016 -9.860 -3.723 1.00 0.00 C ATOM 406 CD1 LEU A 27 -17.273 -9.126 -4.828 1.00 0.00 C ATOM 407 CD2 LEU A 27 -17.402 -11.232 -3.485 1.00 0.00 C ATOM 0 H LEU A 27 -17.626 -8.972 0.011 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.965 -9.583 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -18.613 -9.559 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -18.499 -8.085 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 27 -19.051 -9.997 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.288 -9.726 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.757 -8.168 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.240 -8.957 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.416 -11.803 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.373 -11.116 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.977 -11.761 -2.725 1.00 0.00 H new ATOM 419 N VAL A 28 -16.463 -6.337 -1.878 1.00 0.00 N ATOM 420 CA VAL A 28 -15.980 -5.047 -2.355 1.00 0.00 C ATOM 421 C VAL A 28 -14.568 -4.769 -1.854 1.00 0.00 C ATOM 422 O VAL A 28 -13.827 -3.992 -2.456 1.00 0.00 O ATOM 423 CB VAL A 28 -16.907 -3.901 -1.908 1.00 0.00 C ATOM 424 CG1 VAL A 28 -17.135 -3.954 -0.405 1.00 0.00 C ATOM 425 CG2 VAL A 28 -16.328 -2.556 -2.320 1.00 0.00 C ATOM 0 H VAL A 28 -17.128 -6.280 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.972 -5.095 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.871 -4.023 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.792 -3.137 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.596 -4.905 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.180 -3.858 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.996 -1.758 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.351 -2.423 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.222 -2.522 -3.404 1.00 0.00 H new ATOM 435 N GLN A 29 -14.201 -5.410 -0.749 1.00 0.00 N ATOM 436 CA GLN A 29 -12.877 -5.231 -0.166 1.00 0.00 C ATOM 437 C GLN A 29 -11.834 -6.044 -0.926 1.00 0.00 C ATOM 438 O GLN A 29 -10.908 -5.487 -1.515 1.00 0.00 O ATOM 439 CB GLN A 29 -12.885 -5.640 1.308 1.00 0.00 C ATOM 440 CG GLN A 29 -13.195 -4.492 2.256 1.00 0.00 C ATOM 441 CD GLN A 29 -12.444 -3.224 1.901 1.00 0.00 C ATOM 442 OE1 GLN A 29 -13.022 -2.275 1.369 1.00 0.00 O ATOM 443 NE2 GLN A 29 -11.149 -3.200 2.195 1.00 0.00 N ATOM 0 H GLN A 29 -14.802 -6.058 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.614 -4.176 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.622 -6.430 1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.913 -6.060 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.266 -4.292 2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.941 -4.788 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.711 -4.009 2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.593 -2.373 1.980 1.00 0.00 H new ATOM 452 N GLN A 30 -11.990 -7.364 -0.906 1.00 0.00 N ATOM 453 CA GLN A 30 -11.060 -8.253 -1.593 1.00 0.00 C ATOM 454 C GLN A 30 -10.520 -7.601 -2.861 1.00 0.00 C ATOM 455 O GLN A 30 -9.361 -7.797 -3.225 1.00 0.00 O ATOM 456 CB GLN A 30 -11.747 -9.575 -1.937 1.00 0.00 C ATOM 457 CG GLN A 30 -12.135 -10.396 -0.717 1.00 0.00 C ATOM 458 CD GLN A 30 -13.014 -11.580 -1.066 1.00 0.00 C ATOM 459 OE1 GLN A 30 -12.930 -12.129 -2.165 1.00 0.00 O ATOM 460 NE2 GLN A 30 -13.865 -11.982 -0.130 1.00 0.00 N ATOM 0 H GLN A 30 -12.751 -7.841 -0.422 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.223 -8.450 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.642 -9.368 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.083 -10.167 -2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.232 -10.752 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.658 -9.757 -0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.902 -11.498 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.482 -12.774 -0.308 1.00 0.00 H new ATOM 469 N GLU A 31 -11.368 -6.826 -3.530 1.00 0.00 N ATOM 470 CA GLU A 31 -10.974 -6.147 -4.759 1.00 0.00 C ATOM 471 C GLU A 31 -10.132 -4.912 -4.452 1.00 0.00 C ATOM 472 O GLU A 31 -9.031 -4.751 -4.979 1.00 0.00 O ATOM 473 CB GLU A 31 -12.211 -5.747 -5.566 1.00 0.00 C ATOM 474 CG GLU A 31 -12.849 -6.904 -6.316 1.00 0.00 C ATOM 475 CD GLU A 31 -12.114 -7.244 -7.598 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.606 -6.312 -8.255 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.048 -8.442 -7.944 1.00 0.00 O ATOM 0 H GLU A 31 -12.331 -6.653 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.372 -6.838 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.949 -5.311 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.934 -4.971 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.872 -7.782 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.884 -6.654 -6.550 1.00 0.00 H new ATOM 484 N LEU A 32 -10.658 -4.042 -3.597 1.00 0.00 N ATOM 485 CA LEU A 32 -9.957 -2.820 -3.219 1.00 0.00 C ATOM 486 C LEU A 32 -8.640 -3.142 -2.520 1.00 0.00 C ATOM 487 O LEU A 32 -7.563 -2.851 -3.038 1.00 0.00 O ATOM 488 CB LEU A 32 -10.836 -1.965 -2.306 1.00 0.00 C ATOM 489 CG LEU A 32 -11.725 -0.934 -3.002 1.00 0.00 C ATOM 490 CD1 LEU A 32 -12.921 -1.613 -3.653 1.00 0.00 C ATOM 491 CD2 LEU A 32 -12.185 0.128 -2.015 1.00 0.00 C ATOM 0 H LEU A 32 -11.568 -4.160 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.738 -2.261 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.473 -2.630 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.191 -1.441 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.140 -0.447 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.542 -0.864 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.572 -2.335 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.506 -2.128 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.817 0.853 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.752 -0.343 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.316 0.636 -1.596 1.00 0.00 H new ATOM 503 N GLY A 33 -8.735 -3.748 -1.341 1.00 0.00 N ATOM 504 CA GLY A 33 -7.544 -4.102 -0.591 1.00 0.00 C ATOM 505 C GLY A 33 -6.457 -4.687 -1.471 1.00 0.00 C ATOM 506 O GLY A 33 -5.276 -4.385 -1.295 1.00 0.00 O ATOM 0 H GLY A 33 -9.615 -4.000 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.160 -3.216 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.807 -4.822 0.184 1.00 0.00 H new ATOM 510 N SER A 34 -6.855 -5.528 -2.420 1.00 0.00 N ATOM 511 CA SER A 34 -5.905 -6.161 -3.328 1.00 0.00 C ATOM 512 C SER A 34 -4.771 -5.203 -3.682 1.00 0.00 C ATOM 513 O SER A 34 -4.942 -3.984 -3.656 1.00 0.00 O ATOM 514 CB SER A 34 -6.615 -6.623 -4.602 1.00 0.00 C ATOM 515 OG SER A 34 -6.721 -5.564 -5.539 1.00 0.00 O ATOM 0 H SER A 34 -7.828 -5.787 -2.580 1.00 0.00 H new ATOM 0 HA SER A 34 -5.480 -7.028 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.067 -7.453 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.609 -6.994 -4.354 1.00 0.00 H new ATOM 0 HG SER A 34 -7.412 -4.934 -5.244 1.00 0.00 H new ATOM 521 N CYS A 35 -3.613 -5.764 -4.014 1.00 0.00 N ATOM 522 CA CYS A 35 -2.450 -4.962 -4.374 1.00 0.00 C ATOM 523 C CYS A 35 -1.838 -5.449 -5.684 1.00 0.00 C ATOM 524 O CYS A 35 -2.296 -6.431 -6.268 1.00 0.00 O ATOM 525 CB CYS A 35 -1.403 -5.015 -3.259 1.00 0.00 C ATOM 526 SG CYS A 35 -0.330 -3.546 -3.176 1.00 0.00 S ATOM 0 H CYS A 35 -3.455 -6.771 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.778 -3.931 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.912 -5.134 -2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.781 -5.899 -3.401 1.00 0.00 H new ATOM 531 N ARG A 36 -0.801 -4.755 -6.140 1.00 0.00 N ATOM 532 CA ARG A 36 -0.127 -5.115 -7.382 1.00 0.00 C ATOM 533 C ARG A 36 0.944 -6.173 -7.132 1.00 0.00 C ATOM 534 O ARG A 36 1.191 -7.033 -7.977 1.00 0.00 O ATOM 535 CB ARG A 36 0.504 -3.877 -8.022 1.00 0.00 C ATOM 536 CG ARG A 36 -0.368 -2.635 -7.936 1.00 0.00 C ATOM 537 CD ARG A 36 -0.156 -1.721 -9.132 1.00 0.00 C ATOM 538 NE ARG A 36 1.207 -1.200 -9.189 1.00 0.00 N ATOM 539 CZ ARG A 36 1.636 -0.363 -10.126 1.00 0.00 C ATOM 540 NH1 ARG A 36 0.812 0.047 -11.081 1.00 0.00 N ATOM 541 NH2 ARG A 36 2.891 0.068 -10.110 1.00 0.00 N ATOM 0 H ARG A 36 -0.409 -3.940 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.871 -5.529 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.459 -3.674 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.717 -4.089 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.416 -2.928 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.141 -2.093 -7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.373 -2.268 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.860 -0.890 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 36 1.866 -1.496 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.154 -0.281 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.144 0.690 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.528 -0.244 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.219 0.711 -10.831 1.00 0.00 H new ATOM 555 N CYS A 37 1.577 -6.103 -5.966 1.00 0.00 N ATOM 556 CA CYS A 37 2.622 -7.053 -5.603 1.00 0.00 C ATOM 557 C CYS A 37 2.144 -8.489 -5.801 1.00 0.00 C ATOM 558 O CYS A 37 2.872 -9.331 -6.324 1.00 0.00 O ATOM 559 CB CYS A 37 3.051 -6.842 -4.150 1.00 0.00 C ATOM 560 SG CYS A 37 1.663 -6.690 -2.980 1.00 0.00 S ATOM 0 H CYS A 37 1.384 -5.397 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 37 3.478 -6.880 -6.255 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.681 -7.677 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.663 -5.942 -4.090 1.00 0.00 H new ATOM 565 N GLY A 38 0.912 -8.760 -5.379 1.00 0.00 N ATOM 566 CA GLY A 38 0.357 -10.094 -5.518 1.00 0.00 C ATOM 567 C GLY A 38 -0.277 -10.594 -4.235 1.00 0.00 C ATOM 568 O GLY A 38 -0.409 -11.801 -4.030 1.00 0.00 O ATOM 0 H GLY A 38 0.289 -8.080 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.390 -10.093 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.145 -10.782 -5.823 1.00 0.00 H new ATOM 572 N TYR A 39 -0.669 -9.666 -3.370 1.00 0.00 N ATOM 573 CA TYR A 39 -1.290 -10.020 -2.099 1.00 0.00 C ATOM 574 C TYR A 39 -2.498 -9.132 -1.816 1.00 0.00 C ATOM 575 O TYR A 39 -2.546 -7.976 -2.237 1.00 0.00 O ATOM 576 CB TYR A 39 -0.275 -9.896 -0.960 1.00 0.00 C ATOM 577 CG TYR A 39 0.719 -11.034 -0.910 1.00 0.00 C ATOM 578 CD1 TYR A 39 1.883 -10.999 -1.668 1.00 0.00 C ATOM 579 CD2 TYR A 39 0.496 -12.143 -0.104 1.00 0.00 C ATOM 580 CE1 TYR A 39 2.795 -12.037 -1.625 1.00 0.00 C ATOM 581 CE2 TYR A 39 1.402 -13.185 -0.054 1.00 0.00 C ATOM 582 CZ TYR A 39 2.550 -13.127 -0.816 1.00 0.00 C ATOM 583 OH TYR A 39 3.456 -14.162 -0.770 1.00 0.00 O ATOM 0 H TYR A 39 -0.568 -8.663 -3.525 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.629 -11.054 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.266 -8.956 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.810 -9.849 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.079 -10.146 -2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.402 -12.192 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.694 -11.995 -2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.212 -14.040 0.578 1.00 0.00 H new ATOM 0 HH TYR A 39 3.135 -14.851 -0.152 1.00 0.00 H new ATOM 593 N VAL A 40 -3.473 -9.682 -1.100 1.00 0.00 N ATOM 594 CA VAL A 40 -4.682 -8.941 -0.759 1.00 0.00 C ATOM 595 C VAL A 40 -4.751 -8.662 0.739 1.00 0.00 C ATOM 596 O VAL A 40 -4.567 -9.563 1.558 1.00 0.00 O ATOM 597 CB VAL A 40 -5.949 -9.706 -1.186 1.00 0.00 C ATOM 598 CG1 VAL A 40 -7.198 -8.927 -0.805 1.00 0.00 C ATOM 599 CG2 VAL A 40 -5.922 -9.987 -2.681 1.00 0.00 C ATOM 0 H VAL A 40 -3.450 -10.638 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.637 -7.996 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.971 -10.660 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.083 -9.483 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.221 -8.781 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.187 -7.957 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.824 -10.528 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.876 -9.045 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.046 -10.590 -2.922 1.00 0.00 H new ATOM 609 N PHE A 41 -5.019 -7.409 1.090 1.00 0.00 N ATOM 610 CA PHE A 41 -5.112 -7.010 2.489 1.00 0.00 C ATOM 611 C PHE A 41 -6.437 -6.306 2.767 1.00 0.00 C ATOM 612 O PHE A 41 -7.273 -6.157 1.875 1.00 0.00 O ATOM 613 CB PHE A 41 -3.946 -6.091 2.859 1.00 0.00 C ATOM 614 CG PHE A 41 -2.658 -6.453 2.176 1.00 0.00 C ATOM 615 CD1 PHE A 41 -2.348 -5.929 0.931 1.00 0.00 C ATOM 616 CD2 PHE A 41 -1.758 -7.317 2.778 1.00 0.00 C ATOM 617 CE1 PHE A 41 -1.163 -6.260 0.300 1.00 0.00 C ATOM 618 CE2 PHE A 41 -0.572 -7.651 2.152 1.00 0.00 C ATOM 619 CZ PHE A 41 -0.275 -7.122 0.911 1.00 0.00 C ATOM 0 H PHE A 41 -5.176 -6.652 0.424 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.064 -7.911 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.208 -5.064 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.797 -6.123 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.040 -5.255 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.986 -7.734 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.933 -5.844 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.122 -8.325 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.651 -7.383 0.420 1.00 0.00 H new ATOM 629 N CYS A 42 -6.622 -5.875 4.010 1.00 0.00 N ATOM 630 CA CYS A 42 -7.845 -5.188 4.408 1.00 0.00 C ATOM 631 C CYS A 42 -7.703 -3.679 4.229 1.00 0.00 C ATOM 632 O CYS A 42 -6.670 -3.192 3.771 1.00 0.00 O ATOM 633 CB CYS A 42 -8.185 -5.510 5.864 1.00 0.00 C ATOM 634 SG CYS A 42 -6.921 -4.970 7.060 1.00 0.00 S ATOM 0 H CYS A 42 -5.940 -5.989 4.760 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.654 -5.538 3.767 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.134 -5.038 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.327 -6.586 5.963 1.00 0.00 H new ATOM 639 N MET A 43 -8.749 -2.945 4.594 1.00 0.00 N ATOM 640 CA MET A 43 -8.741 -1.491 4.475 1.00 0.00 C ATOM 641 C MET A 43 -7.761 -0.870 5.465 1.00 0.00 C ATOM 642 O MET A 43 -7.595 0.349 5.508 1.00 0.00 O ATOM 643 CB MET A 43 -10.145 -0.931 4.709 1.00 0.00 C ATOM 644 CG MET A 43 -10.403 0.383 3.990 1.00 0.00 C ATOM 645 SD MET A 43 -9.956 1.819 4.986 1.00 0.00 S ATOM 646 CE MET A 43 -10.818 1.453 6.513 1.00 0.00 C ATOM 0 H MET A 43 -9.612 -3.333 4.974 1.00 0.00 H new ATOM 0 HA MET A 43 -8.420 -1.236 3.465 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.880 -1.666 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.296 -0.786 5.779 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.836 0.401 3.059 1.00 0.00 H new ATOM 0 HG3 MET A 43 -11.458 0.445 3.722 1.00 0.00 H new ATOM 0 HE1 MET A 43 -11.178 2.380 6.959 1.00 0.00 H new ATOM 0 HE2 MET A 43 -11.664 0.798 6.305 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.137 0.958 7.205 1.00 0.00 H new ATOM 656 N LEU A 44 -7.114 -1.716 6.259 1.00 0.00 N ATOM 657 CA LEU A 44 -6.150 -1.250 7.250 1.00 0.00 C ATOM 658 C LEU A 44 -4.722 -1.551 6.804 1.00 0.00 C ATOM 659 O LEU A 44 -3.791 -0.813 7.127 1.00 0.00 O ATOM 660 CB LEU A 44 -6.423 -1.906 8.604 1.00 0.00 C ATOM 661 CG LEU A 44 -7.856 -1.798 9.126 1.00 0.00 C ATOM 662 CD1 LEU A 44 -8.149 -2.913 10.117 1.00 0.00 C ATOM 663 CD2 LEU A 44 -8.090 -0.438 9.766 1.00 0.00 C ATOM 0 H LEU A 44 -7.239 -2.728 6.236 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.260 -0.170 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.162 -2.962 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.755 -1.462 9.342 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.538 -1.902 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.173 -2.819 10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.024 -3.878 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.460 -2.842 10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.115 -0.380 10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.400 -0.304 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.923 0.346 9.027 1.00 0.00 H new ATOM 675 N HIS A 45 -4.558 -2.640 6.059 1.00 0.00 N ATOM 676 CA HIS A 45 -3.244 -3.038 5.567 1.00 0.00 C ATOM 677 C HIS A 45 -3.221 -3.065 4.041 1.00 0.00 C ATOM 678 O HIS A 45 -2.385 -3.736 3.436 1.00 0.00 O ATOM 679 CB HIS A 45 -2.863 -4.412 6.119 1.00 0.00 C ATOM 680 CG HIS A 45 -2.726 -4.441 7.610 1.00 0.00 C ATOM 681 ND1 HIS A 45 -3.432 -5.311 8.414 1.00 0.00 N ATOM 682 CD2 HIS A 45 -1.957 -3.702 8.443 1.00 0.00 C ATOM 683 CE1 HIS A 45 -3.105 -5.104 9.677 1.00 0.00 C ATOM 684 NE2 HIS A 45 -2.211 -4.133 9.722 1.00 0.00 N ATOM 0 H HIS A 45 -5.318 -3.262 5.783 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.517 -2.303 5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.618 -5.138 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.921 -4.727 5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.271 -2.919 8.155 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.501 -5.638 10.528 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.779 -3.763 10.569 1.00 0.00 H new ATOM 692 N ARG A 46 -4.145 -2.334 3.427 1.00 0.00 N ATOM 693 CA ARG A 46 -4.231 -2.276 1.973 1.00 0.00 C ATOM 694 C ARG A 46 -3.099 -1.433 1.394 1.00 0.00 C ATOM 695 O ARG A 46 -2.584 -1.724 0.313 1.00 0.00 O ATOM 696 CB ARG A 46 -5.582 -1.700 1.544 1.00 0.00 C ATOM 697 CG ARG A 46 -5.946 -0.407 2.255 1.00 0.00 C ATOM 698 CD ARG A 46 -6.815 0.484 1.381 1.00 0.00 C ATOM 699 NE ARG A 46 -6.086 0.991 0.221 1.00 0.00 N ATOM 700 CZ ARG A 46 -6.617 1.810 -0.680 1.00 0.00 C ATOM 701 NH1 ARG A 46 -7.874 2.213 -0.555 1.00 0.00 N ATOM 702 NH2 ARG A 46 -5.890 2.228 -1.708 1.00 0.00 N ATOM 0 H ARG A 46 -4.845 -1.774 3.914 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.137 -3.291 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.566 -1.522 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.360 -2.440 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.473 -0.636 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.036 0.127 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.687 -0.077 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.184 1.322 1.972 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.116 0.700 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.436 1.894 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.279 2.842 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.923 1.920 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.299 2.857 -2.399 1.00 0.00 H new ATOM 716 N LEU A 47 -2.717 -0.387 2.118 1.00 0.00 N ATOM 717 CA LEU A 47 -1.646 0.499 1.677 1.00 0.00 C ATOM 718 C LEU A 47 -0.325 -0.256 1.566 1.00 0.00 C ATOM 719 O LEU A 47 -0.088 -1.246 2.259 1.00 0.00 O ATOM 720 CB LEU A 47 -1.496 1.673 2.646 1.00 0.00 C ATOM 721 CG LEU A 47 -2.690 2.624 2.738 1.00 0.00 C ATOM 722 CD1 LEU A 47 -2.758 3.263 4.116 1.00 0.00 C ATOM 723 CD2 LEU A 47 -2.605 3.691 1.657 1.00 0.00 C ATOM 0 H LEU A 47 -3.133 -0.132 3.013 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.908 0.882 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.297 1.274 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.619 2.250 2.353 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.602 2.048 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.614 3.937 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.866 2.486 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.843 3.825 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.462 4.359 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.686 4.263 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.606 3.216 0.676 1.00 0.00 H new ATOM 735 N PRO A 48 0.557 0.222 0.676 1.00 0.00 N ATOM 736 CA PRO A 48 1.870 -0.391 0.456 1.00 0.00 C ATOM 737 C PRO A 48 2.809 -0.192 1.641 1.00 0.00 C ATOM 738 O PRO A 48 3.449 -1.136 2.102 1.00 0.00 O ATOM 739 CB PRO A 48 2.403 0.344 -0.777 1.00 0.00 C ATOM 740 CG PRO A 48 1.703 1.659 -0.766 1.00 0.00 C ATOM 741 CD PRO A 48 0.341 1.398 -0.183 1.00 0.00 C ATOM 0 HA PRO A 48 1.799 -1.471 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.484 0.471 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.190 -0.210 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.250 2.388 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.625 2.068 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.022 2.252 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.397 1.198 -0.960 1.00 0.00 H new ATOM 749 N GLU A 49 2.886 1.043 2.128 1.00 0.00 N ATOM 750 CA GLU A 49 3.748 1.364 3.260 1.00 0.00 C ATOM 751 C GLU A 49 3.385 0.519 4.478 1.00 0.00 C ATOM 752 O GLU A 49 4.223 0.267 5.342 1.00 0.00 O ATOM 753 CB GLU A 49 3.639 2.851 3.606 1.00 0.00 C ATOM 754 CG GLU A 49 2.231 3.290 3.970 1.00 0.00 C ATOM 755 CD GLU A 49 2.216 4.443 4.955 1.00 0.00 C ATOM 756 OE1 GLU A 49 2.214 4.181 6.176 1.00 0.00 O ATOM 757 OE2 GLU A 49 2.207 5.607 4.503 1.00 0.00 O ATOM 0 H GLU A 49 2.363 1.836 1.757 1.00 0.00 H new ATOM 0 HA GLU A 49 4.776 1.138 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.306 3.071 4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.986 3.439 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.700 3.584 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.690 2.445 4.397 1.00 0.00 H new ATOM 764 N GLN A 50 2.129 0.087 4.537 1.00 0.00 N ATOM 765 CA GLN A 50 1.655 -0.728 5.649 1.00 0.00 C ATOM 766 C GLN A 50 2.304 -2.108 5.629 1.00 0.00 C ATOM 767 O GLN A 50 2.684 -2.643 6.671 1.00 0.00 O ATOM 768 CB GLN A 50 0.132 -0.867 5.594 1.00 0.00 C ATOM 769 CG GLN A 50 -0.608 0.419 5.923 1.00 0.00 C ATOM 770 CD GLN A 50 -0.521 0.783 7.392 1.00 0.00 C ATOM 771 OE1 GLN A 50 0.570 0.917 7.947 1.00 0.00 O ATOM 772 NE2 GLN A 50 -1.673 0.946 8.032 1.00 0.00 N ATOM 0 H GLN A 50 1.423 0.288 3.829 1.00 0.00 H new ATOM 0 HA GLN A 50 1.935 -0.229 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.159 -1.199 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.179 -1.644 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.197 1.233 5.326 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.655 0.314 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.555 0.825 7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.676 1.192 9.022 1.00 0.00 H new ATOM 781 N HIS A 51 2.428 -2.681 4.435 1.00 0.00 N ATOM 782 CA HIS A 51 3.031 -4.000 4.279 1.00 0.00 C ATOM 783 C HIS A 51 4.357 -3.905 3.529 1.00 0.00 C ATOM 784 O HIS A 51 4.722 -4.809 2.778 1.00 0.00 O ATOM 785 CB HIS A 51 2.078 -4.936 3.536 1.00 0.00 C ATOM 786 CG HIS A 51 1.754 -4.482 2.146 1.00 0.00 C ATOM 787 ND1 HIS A 51 0.617 -3.767 1.833 1.00 0.00 N ATOM 788 CD2 HIS A 51 2.428 -4.642 0.983 1.00 0.00 C ATOM 789 CE1 HIS A 51 0.605 -3.510 0.537 1.00 0.00 C ATOM 790 NE2 HIS A 51 1.693 -4.030 -0.002 1.00 0.00 N ATOM 0 H HIS A 51 2.119 -2.253 3.562 1.00 0.00 H new ATOM 0 HA HIS A 51 3.223 -4.404 5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.521 -5.931 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.153 -5.025 4.105 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.102 -3.481 2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.369 -5.156 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.164 -2.967 0.008 1.00 0.00 H new ATOM 798 N ASP A 52 5.072 -2.805 3.738 1.00 0.00 N ATOM 799 CA ASP A 52 6.357 -2.592 3.082 1.00 0.00 C ATOM 800 C ASP A 52 6.358 -3.195 1.681 1.00 0.00 C ATOM 801 O ASP A 52 7.305 -3.876 1.287 1.00 0.00 O ATOM 802 CB ASP A 52 7.485 -3.203 3.914 1.00 0.00 C ATOM 803 CG ASP A 52 7.814 -2.374 5.141 1.00 0.00 C ATOM 804 OD1 ASP A 52 7.983 -1.145 4.999 1.00 0.00 O ATOM 805 OD2 ASP A 52 7.901 -2.955 6.243 1.00 0.00 O ATOM 0 H ASP A 52 4.784 -2.047 4.357 1.00 0.00 H new ATOM 0 HA ASP A 52 6.520 -1.518 2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.200 -4.208 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.377 -3.301 3.295 1.00 0.00 H new ATOM 810 N CYS A 53 5.290 -2.941 0.932 1.00 0.00 N ATOM 811 CA CYS A 53 5.166 -3.459 -0.425 1.00 0.00 C ATOM 812 C CYS A 53 6.519 -3.467 -1.130 1.00 0.00 C ATOM 813 O CYS A 53 7.337 -2.566 -0.939 1.00 0.00 O ATOM 814 CB CYS A 53 4.167 -2.620 -1.224 1.00 0.00 C ATOM 815 SG CYS A 53 3.649 -3.379 -2.797 1.00 0.00 S ATOM 0 H CYS A 53 4.497 -2.379 1.242 1.00 0.00 H new ATOM 0 HA CYS A 53 4.802 -4.485 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.284 -2.444 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.611 -1.646 -1.431 1.00 0.00 H new ATOM 820 N THR A 54 6.749 -4.490 -1.947 1.00 0.00 N ATOM 821 CA THR A 54 8.002 -4.617 -2.680 1.00 0.00 C ATOM 822 C THR A 54 7.900 -3.975 -4.058 1.00 0.00 C ATOM 823 O THR A 54 8.890 -3.485 -4.601 1.00 0.00 O ATOM 824 CB THR A 54 8.411 -6.093 -2.842 1.00 0.00 C ATOM 825 OG1 THR A 54 9.721 -6.178 -3.416 1.00 0.00 O ATOM 826 CG2 THR A 54 7.418 -6.836 -3.722 1.00 0.00 C ATOM 0 H THR A 54 6.083 -5.243 -2.118 1.00 0.00 H new ATOM 0 HA THR A 54 8.763 -4.099 -2.097 1.00 0.00 H new ATOM 0 HB THR A 54 8.416 -6.556 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.975 -7.119 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.728 -7.876 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.428 -6.794 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.386 -6.371 -4.707 1.00 0.00 H new ATOM 834 N PHE A 55 6.696 -3.980 -4.620 1.00 0.00 N ATOM 835 CA PHE A 55 6.464 -3.397 -5.937 1.00 0.00 C ATOM 836 C PHE A 55 6.839 -1.918 -5.951 1.00 0.00 C ATOM 837 O PHE A 55 7.266 -1.365 -4.937 1.00 0.00 O ATOM 838 CB PHE A 55 4.999 -3.568 -6.343 1.00 0.00 C ATOM 839 CG PHE A 55 4.800 -3.712 -7.825 1.00 0.00 C ATOM 840 CD1 PHE A 55 5.351 -4.782 -8.510 1.00 0.00 C ATOM 841 CD2 PHE A 55 4.062 -2.777 -8.532 1.00 0.00 C ATOM 842 CE1 PHE A 55 5.170 -4.917 -9.874 1.00 0.00 C ATOM 843 CE2 PHE A 55 3.877 -2.906 -9.896 1.00 0.00 C ATOM 844 CZ PHE A 55 4.431 -3.978 -10.567 1.00 0.00 C ATOM 0 H PHE A 55 5.866 -4.381 -4.184 1.00 0.00 H new ATOM 0 HA PHE A 55 7.096 -3.920 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.592 -4.447 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.430 -2.708 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.929 -5.519 -7.973 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.626 -1.937 -8.011 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.606 -5.755 -10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.300 -2.170 -10.436 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.287 -4.082 -11.632 1.00 0.00 H new ATOM 854 N ASP A 56 6.677 -1.284 -7.107 1.00 0.00 N ATOM 855 CA ASP A 56 6.998 0.131 -7.255 1.00 0.00 C ATOM 856 C ASP A 56 5.882 0.867 -7.990 1.00 0.00 C ATOM 857 O ASP A 56 5.949 1.064 -9.203 1.00 0.00 O ATOM 858 CB ASP A 56 8.319 0.300 -8.007 1.00 0.00 C ATOM 859 CG ASP A 56 8.994 1.623 -7.701 1.00 0.00 C ATOM 860 OD1 ASP A 56 8.823 2.128 -6.571 1.00 0.00 O ATOM 861 OD2 ASP A 56 9.691 2.154 -8.590 1.00 0.00 O ATOM 0 H ASP A 56 6.325 -1.727 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 56 7.098 0.562 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.991 -0.517 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.135 0.228 -9.079 1.00 0.00 H new ATOM 866 N HIS A 57 4.857 1.270 -7.246 1.00 0.00 N ATOM 867 CA HIS A 57 3.725 1.984 -7.827 1.00 0.00 C ATOM 868 C HIS A 57 3.774 3.465 -7.464 1.00 0.00 C ATOM 869 O HIS A 57 3.398 4.322 -8.264 1.00 0.00 O ATOM 870 CB HIS A 57 2.409 1.373 -7.348 1.00 0.00 C ATOM 871 CG HIS A 57 2.440 0.927 -5.919 1.00 0.00 C ATOM 872 ND1 HIS A 57 2.205 -0.375 -5.531 1.00 0.00 N ATOM 873 CD2 HIS A 57 2.682 1.619 -4.781 1.00 0.00 C ATOM 874 CE1 HIS A 57 2.300 -0.464 -4.216 1.00 0.00 C ATOM 875 NE2 HIS A 57 2.589 0.732 -3.737 1.00 0.00 N ATOM 0 H HIS A 57 4.787 1.115 -6.240 1.00 0.00 H new ATOM 0 HA HIS A 57 3.786 1.891 -8.911 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.611 2.105 -7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.162 0.520 -7.981 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.991 -1.149 -6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.906 2.673 -4.708 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.164 -1.362 -3.632 1.00 0.00 H new ATOM 883 N MET A 58 4.237 3.758 -6.254 1.00 0.00 N ATOM 884 CA MET A 58 4.335 5.136 -5.786 1.00 0.00 C ATOM 885 C MET A 58 5.010 6.019 -6.831 1.00 0.00 C ATOM 886 O MET A 58 4.479 7.059 -7.215 1.00 0.00 O ATOM 887 CB MET A 58 5.113 5.197 -4.470 1.00 0.00 C ATOM 888 CG MET A 58 4.921 6.499 -3.710 1.00 0.00 C ATOM 889 SD MET A 58 5.981 6.617 -2.256 1.00 0.00 S ATOM 890 CE MET A 58 5.839 8.361 -1.874 1.00 0.00 C ATOM 0 H MET A 58 4.550 3.060 -5.579 1.00 0.00 H new ATOM 0 HA MET A 58 3.324 5.509 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.803 4.367 -3.836 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.174 5.061 -4.678 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.128 7.337 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.879 6.586 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.572 8.627 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.023 8.947 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.836 8.572 -1.502 1.00 0.00 H new ATOM 900 N GLY A 59 6.185 5.595 -7.287 1.00 0.00 N ATOM 901 CA GLY A 59 6.914 6.360 -8.283 1.00 0.00 C ATOM 902 C GLY A 59 6.918 7.846 -7.984 1.00 0.00 C ATOM 903 O GLY A 59 6.214 8.618 -8.633 1.00 0.00 O ATOM 0 H GLY A 59 6.645 4.736 -6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.942 6.000 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.469 6.191 -9.264 1.00 0.00 H new ATOM 907 N ARG A 60 7.713 8.247 -6.997 1.00 0.00 N ATOM 908 CA ARG A 60 7.804 9.650 -6.611 1.00 0.00 C ATOM 909 C ARG A 60 9.258 10.109 -6.572 1.00 0.00 C ATOM 910 O ARG A 60 10.110 9.457 -5.970 1.00 0.00 O ATOM 911 CB ARG A 60 7.152 9.868 -5.245 1.00 0.00 C ATOM 912 CG ARG A 60 6.884 11.330 -4.925 1.00 0.00 C ATOM 913 CD ARG A 60 8.100 11.996 -4.302 1.00 0.00 C ATOM 914 NE ARG A 60 7.839 13.388 -3.945 1.00 0.00 N ATOM 915 CZ ARG A 60 7.242 13.758 -2.817 1.00 0.00 C ATOM 916 NH1 ARG A 60 6.847 12.843 -1.942 1.00 0.00 N ATOM 917 NH2 ARG A 60 7.040 15.044 -2.563 1.00 0.00 N ATOM 0 H ARG A 60 8.303 7.620 -6.450 1.00 0.00 H new ATOM 0 HA ARG A 60 7.274 10.242 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.211 9.318 -5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.797 9.448 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.606 11.858 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.037 11.405 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.399 11.443 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.935 11.951 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 60 8.131 14.116 -4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.001 11.853 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.389 13.129 -1.077 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.343 15.750 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.582 15.327 -1.697 1.00 0.00 H new ATOM 931 N GLY A 61 9.535 11.238 -7.219 1.00 0.00 N ATOM 932 CA GLY A 61 10.887 11.765 -7.246 1.00 0.00 C ATOM 933 C GLY A 61 10.942 13.194 -7.748 1.00 0.00 C ATOM 934 O GLY A 61 9.938 13.906 -7.724 1.00 0.00 O ATOM 0 H GLY A 61 8.847 11.796 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.312 11.719 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.507 11.135 -7.884 1.00 0.00 H new ATOM 938 N SER A 62 12.118 13.616 -8.201 1.00 0.00 N ATOM 939 CA SER A 62 12.301 14.972 -8.706 1.00 0.00 C ATOM 940 C SER A 62 11.652 15.133 -10.077 1.00 0.00 C ATOM 941 O SER A 62 11.520 14.170 -10.831 1.00 0.00 O ATOM 942 CB SER A 62 13.791 15.310 -8.791 1.00 0.00 C ATOM 943 OG SER A 62 14.469 14.413 -9.652 1.00 0.00 O ATOM 0 H SER A 62 12.958 13.039 -8.229 1.00 0.00 H new ATOM 0 HA SER A 62 11.819 15.660 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.915 16.331 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.234 15.269 -7.796 1.00 0.00 H new ATOM 0 HG SER A 62 15.191 14.887 -10.115 1.00 0.00 H new ATOM 949 N GLY A 63 11.249 16.360 -10.393 1.00 0.00 N ATOM 950 CA GLY A 63 10.619 16.627 -11.673 1.00 0.00 C ATOM 951 C GLY A 63 11.401 17.622 -12.508 1.00 0.00 C ATOM 952 O GLY A 63 12.391 17.279 -13.155 1.00 0.00 O ATOM 0 H GLY A 63 11.347 17.174 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.518 15.693 -12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.612 17.010 -11.506 1.00 0.00 H new ATOM 956 N PRO A 64 10.953 18.886 -12.502 1.00 0.00 N ATOM 957 CA PRO A 64 11.603 19.959 -13.261 1.00 0.00 C ATOM 958 C PRO A 64 12.964 20.335 -12.685 1.00 0.00 C ATOM 959 O PRO A 64 13.756 21.017 -13.334 1.00 0.00 O ATOM 960 CB PRO A 64 10.625 21.129 -13.129 1.00 0.00 C ATOM 961 CG PRO A 64 9.883 20.862 -11.865 1.00 0.00 C ATOM 962 CD PRO A 64 9.779 19.366 -11.754 1.00 0.00 C ATOM 0 HA PRO A 64 11.802 19.666 -14.292 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.152 22.082 -13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.949 21.178 -13.982 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.409 21.281 -11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.895 21.321 -11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.803 19.038 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.849 18.995 -12.184 1.00 0.00 H new ATOM 970 N SER A 65 13.228 19.885 -11.463 1.00 0.00 N ATOM 971 CA SER A 65 14.493 20.176 -10.798 1.00 0.00 C ATOM 972 C SER A 65 15.347 18.918 -10.678 1.00 0.00 C ATOM 973 O SER A 65 15.190 18.134 -9.742 1.00 0.00 O ATOM 974 CB SER A 65 14.239 20.768 -9.410 1.00 0.00 C ATOM 975 OG SER A 65 13.350 19.955 -8.664 1.00 0.00 O ATOM 0 H SER A 65 12.583 19.318 -10.913 1.00 0.00 H new ATOM 0 HA SER A 65 15.034 20.904 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.183 20.866 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.823 21.771 -9.509 1.00 0.00 H new ATOM 0 HG SER A 65 13.624 19.017 -8.738 1.00 0.00 H new ATOM 981 N SER A 66 16.252 18.731 -11.634 1.00 0.00 N ATOM 982 CA SER A 66 17.129 17.566 -11.639 1.00 0.00 C ATOM 983 C SER A 66 16.330 16.286 -11.864 1.00 0.00 C ATOM 984 O SER A 66 16.562 15.273 -11.205 1.00 0.00 O ATOM 985 CB SER A 66 17.899 17.476 -10.320 1.00 0.00 C ATOM 986 OG SER A 66 19.006 16.599 -10.436 1.00 0.00 O ATOM 0 H SER A 66 16.397 19.371 -12.415 1.00 0.00 H new ATOM 0 HA SER A 66 17.839 17.679 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.245 18.468 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 66 17.234 17.126 -9.530 1.00 0.00 H new ATOM 0 HG SER A 66 18.693 15.711 -10.707 1.00 0.00 H new ATOM 992 N GLY A 67 15.388 16.340 -12.801 1.00 0.00 N ATOM 993 CA GLY A 67 14.569 15.180 -13.097 1.00 0.00 C ATOM 994 C GLY A 67 15.398 13.952 -13.418 1.00 0.00 C ATOM 995 O GLY A 67 16.601 14.082 -13.639 1.00 0.00 O ATOM 0 H GLY A 67 15.178 17.167 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.925 14.967 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.917 15.405 -13.941 1.00 0.00 H new TER 999 GLY A 67 HETATM 1000 ZN ZN A 201 -5.187 -6.473 7.425 1.00 0.00 ZN HETATM 1001 ZN ZN A 401 1.649 -4.461 -2.290 1.00 0.00 ZN