USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 232 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 26 HIS HE2 : A 26 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 36 ZNZN :(H bumps) USER MOD Set 1.1: A 19 THR OG1 : rot 180:sc= -0.213 USER MOD Set 1.2: A 22 ASN : amide:sc= -0.231 K(o=-0.44,f=0.54) USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.00689) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc=-0.00665 (180deg=-0.0296) USER MOD Single : A 15 SER OG : rot 87:sc= 1.37 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -22:sc= 0.593 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.157 -7.936 11.061 1.00 0.00 N ATOM 2 CA GLY A 1 -10.489 -8.016 9.740 1.00 0.00 C ATOM 3 C GLY A 1 -11.367 -7.499 8.618 1.00 0.00 C ATOM 4 O GLY A 1 -11.424 -8.097 7.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.538 -8.347 11.789 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.350 -6.941 11.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.052 -8.464 11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.563 -7.441 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.215 -9.051 9.536 1.00 0.00 H new ATOM 10 N SER A 2 -12.004 -6.359 8.848 1.00 0.00 N ATOM 11 CA SER A 2 -12.821 -5.722 7.830 1.00 0.00 C ATOM 12 C SER A 2 -11.932 -5.169 6.723 1.00 0.00 C ATOM 13 O SER A 2 -10.894 -4.562 6.998 1.00 0.00 O ATOM 14 CB SER A 2 -13.664 -4.602 8.448 1.00 0.00 C ATOM 15 OG SER A 2 -14.505 -5.108 9.472 1.00 0.00 O ATOM 0 H SER A 2 -11.969 -5.856 9.735 1.00 0.00 H new ATOM 0 HA SER A 2 -13.495 -6.464 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.010 -3.832 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.270 -4.128 7.675 1.00 0.00 H new ATOM 0 HG SER A 2 -15.033 -4.376 9.854 1.00 0.00 H new ATOM 20 N SER A 3 -12.323 -5.402 5.481 1.00 0.00 N ATOM 21 CA SER A 3 -11.544 -4.958 4.343 1.00 0.00 C ATOM 22 C SER A 3 -12.431 -4.900 3.097 1.00 0.00 C ATOM 23 O SER A 3 -13.588 -4.478 3.195 1.00 0.00 O ATOM 24 CB SER A 3 -10.349 -5.902 4.161 1.00 0.00 C ATOM 25 OG SER A 3 -10.782 -7.239 3.971 1.00 0.00 O ATOM 0 H SER A 3 -13.180 -5.899 5.237 1.00 0.00 H new ATOM 0 HA SER A 3 -11.159 -3.952 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.756 -5.583 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.701 -5.847 5.036 1.00 0.00 H new ATOM 0 HG SER A 3 -10.003 -7.822 3.856 1.00 0.00 H new ATOM 30 N GLY A 4 -11.894 -5.254 1.926 1.00 0.00 N ATOM 31 CA GLY A 4 -12.661 -5.140 0.698 1.00 0.00 C ATOM 32 C GLY A 4 -13.108 -3.710 0.467 1.00 0.00 C ATOM 33 O GLY A 4 -14.303 -3.440 0.335 1.00 0.00 O ATOM 0 H GLY A 4 -10.947 -5.615 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.057 -5.477 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.532 -5.794 0.747 1.00 0.00 H new ATOM 37 N LYS A 5 -12.173 -2.782 0.635 1.00 0.00 N ATOM 38 CA LYS A 5 -12.501 -1.368 0.681 1.00 0.00 C ATOM 39 C LYS A 5 -11.251 -0.562 0.310 1.00 0.00 C ATOM 40 O LYS A 5 -10.138 -1.048 0.475 1.00 0.00 O ATOM 41 CB LYS A 5 -13.014 -1.045 2.095 1.00 0.00 C ATOM 42 CG LYS A 5 -13.710 0.297 2.259 1.00 0.00 C ATOM 43 CD LYS A 5 -14.310 0.411 3.653 1.00 0.00 C ATOM 44 CE LYS A 5 -15.034 1.732 3.868 1.00 0.00 C ATOM 45 NZ LYS A 5 -14.108 2.891 3.857 1.00 0.00 N ATOM 0 H LYS A 5 -11.180 -2.988 0.742 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.283 -1.105 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.706 -1.831 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.170 -1.081 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.999 1.106 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.493 0.403 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.006 -0.412 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.519 0.309 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.785 1.863 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.564 1.702 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.640 3.762 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.376 2.757 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.659 2.967 2.922 1.00 0.00 H new ATOM 55 N ARG A 6 -11.451 0.509 -0.447 1.00 0.00 N ATOM 56 CA ARG A 6 -10.345 1.188 -1.148 1.00 0.00 C ATOM 57 C ARG A 6 -9.398 2.086 -0.302 1.00 0.00 C ATOM 58 O ARG A 6 -8.351 2.473 -0.822 1.00 0.00 O ATOM 59 CB ARG A 6 -10.909 2.019 -2.302 1.00 0.00 C ATOM 60 CG ARG A 6 -11.627 1.197 -3.363 1.00 0.00 C ATOM 61 CD ARG A 6 -10.687 0.230 -4.074 1.00 0.00 C ATOM 62 NE ARG A 6 -9.630 0.923 -4.811 1.00 0.00 N ATOM 63 CZ ARG A 6 -8.725 0.311 -5.579 1.00 0.00 C ATOM 64 NH1 ARG A 6 -8.729 -1.015 -5.699 1.00 0.00 N ATOM 65 NH2 ARG A 6 -7.815 1.028 -6.226 1.00 0.00 N ATOM 0 H ARG A 6 -12.366 0.934 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.710 0.366 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.601 2.758 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.094 2.569 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.439 0.637 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.079 1.866 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.237 -0.440 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.261 -0.390 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.581 1.939 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.426 -1.570 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.035 -1.476 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.808 2.044 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.123 0.563 -6.813 1.00 0.00 H new ATOM 76 N PRO A 7 -9.710 2.492 0.954 1.00 0.00 N ATOM 77 CA PRO A 7 -8.823 3.390 1.722 1.00 0.00 C ATOM 78 C PRO A 7 -7.484 2.752 2.097 1.00 0.00 C ATOM 79 O PRO A 7 -6.638 3.392 2.725 1.00 0.00 O ATOM 80 CB PRO A 7 -9.630 3.692 2.981 1.00 0.00 C ATOM 81 CG PRO A 7 -10.526 2.522 3.127 1.00 0.00 C ATOM 82 CD PRO A 7 -10.919 2.172 1.726 1.00 0.00 C ATOM 0 HA PRO A 7 -8.553 4.269 1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.983 3.809 3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.197 4.617 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.017 1.691 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.398 2.763 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.190 1.120 1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.778 2.753 1.390 1.00 0.00 H new ATOM 87 N PHE A 8 -7.314 1.486 1.748 1.00 0.00 N ATOM 88 CA PHE A 8 -6.105 0.743 2.084 1.00 0.00 C ATOM 89 C PHE A 8 -4.955 1.126 1.163 1.00 0.00 C ATOM 90 O PHE A 8 -4.363 0.270 0.505 1.00 0.00 O ATOM 91 CB PHE A 8 -6.338 -0.763 1.981 1.00 0.00 C ATOM 92 CG PHE A 8 -7.337 -1.327 2.943 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.352 -0.549 3.468 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.275 -2.659 3.288 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.282 -1.091 4.327 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.195 -3.210 4.147 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.204 -2.427 4.668 1.00 0.00 C ATOM 0 H PHE A 8 -8.005 0.946 1.227 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.848 0.999 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.665 -0.994 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.386 -1.272 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.416 0.496 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.492 -3.279 2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.070 -0.473 4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.128 -4.254 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.931 -2.858 5.341 1.00 0.00 H new ATOM 106 N VAL A 9 -4.642 2.407 1.112 1.00 0.00 N ATOM 107 CA VAL A 9 -3.559 2.878 0.274 1.00 0.00 C ATOM 108 C VAL A 9 -2.232 2.555 0.951 1.00 0.00 C ATOM 109 O VAL A 9 -2.131 2.595 2.182 1.00 0.00 O ATOM 110 CB VAL A 9 -3.660 4.399 0.004 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.380 5.204 1.261 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.730 4.814 -1.121 1.00 0.00 C ATOM 0 H VAL A 9 -5.121 3.137 1.639 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.624 2.372 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.683 4.611 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.459 6.268 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.105 4.940 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.374 4.982 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.820 5.887 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.702 4.575 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.999 4.279 -2.032 1.00 0.00 H new ATOM 122 N CYS A 10 -1.262 2.131 0.159 1.00 0.00 N ATOM 123 CA CYS A 10 0.014 1.690 0.682 1.00 0.00 C ATOM 124 C CYS A 10 0.646 2.772 1.530 1.00 0.00 C ATOM 125 O CYS A 10 0.750 3.930 1.123 1.00 0.00 O ATOM 126 CB CYS A 10 0.945 1.310 -0.464 1.00 0.00 C ATOM 127 SG CYS A 10 2.622 0.795 0.033 1.00 0.00 S ATOM 0 H CYS A 10 -1.338 2.084 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.153 0.815 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.486 0.499 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.029 2.161 -1.139 1.00 0.00 H new ATOM 131 N ARG A 11 1.085 2.367 2.700 1.00 0.00 N ATOM 132 CA ARG A 11 1.744 3.260 3.622 1.00 0.00 C ATOM 133 C ARG A 11 3.105 3.696 3.085 1.00 0.00 C ATOM 134 O ARG A 11 3.567 4.798 3.382 1.00 0.00 O ATOM 135 CB ARG A 11 1.851 2.611 5.008 1.00 0.00 C ATOM 136 CG ARG A 11 2.487 1.229 5.015 1.00 0.00 C ATOM 137 CD ARG A 11 2.425 0.605 6.404 1.00 0.00 C ATOM 138 NE ARG A 11 3.179 1.375 7.395 1.00 0.00 N ATOM 139 CZ ARG A 11 4.510 1.450 7.421 1.00 0.00 C ATOM 140 NH1 ARG A 11 5.237 0.651 6.651 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.116 2.285 8.248 1.00 0.00 N ATOM 0 H ARG A 11 0.995 1.409 3.038 1.00 0.00 H new ATOM 0 HA ARG A 11 1.142 4.163 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.431 3.266 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.852 2.539 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.974 0.585 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.525 1.301 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.384 0.531 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.818 -0.411 6.361 1.00 0.00 H new ATOM 0 HE ARG A 11 2.655 1.884 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.778 -0.022 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.255 0.710 6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.565 2.876 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.135 2.338 8.264 1.00 0.00 H new ATOM 152 N ILE A 12 3.751 2.834 2.299 1.00 0.00 N ATOM 153 CA ILE A 12 5.060 3.169 1.747 1.00 0.00 C ATOM 154 C ILE A 12 4.944 3.992 0.466 1.00 0.00 C ATOM 155 O ILE A 12 5.460 5.108 0.396 1.00 0.00 O ATOM 156 CB ILE A 12 5.914 1.921 1.459 1.00 0.00 C ATOM 157 CG1 ILE A 12 5.998 1.030 2.696 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.314 2.341 1.023 1.00 0.00 C ATOM 159 CD1 ILE A 12 6.612 1.711 3.898 1.00 0.00 C ATOM 0 H ILE A 12 3.396 1.915 2.035 1.00 0.00 H new ATOM 0 HA ILE A 12 5.555 3.763 2.515 1.00 0.00 H new ATOM 0 HB ILE A 12 5.442 1.354 0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.996 0.689 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.583 0.143 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.914 1.454 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.247 2.947 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.783 2.923 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.637 1.015 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.627 2.027 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.015 2.582 4.167 1.00 0.00 H new ATOM 170 N CYS A 13 4.199 3.495 -0.521 1.00 0.00 N ATOM 171 CA CYS A 13 3.971 4.274 -1.728 1.00 0.00 C ATOM 172 C CYS A 13 2.590 4.918 -1.673 1.00 0.00 C ATOM 173 O CYS A 13 2.262 5.588 -0.697 1.00 0.00 O ATOM 174 CB CYS A 13 4.208 3.463 -3.033 1.00 0.00 C ATOM 175 SG CYS A 13 3.108 2.036 -3.351 1.00 0.00 S ATOM 0 H CYS A 13 3.754 2.577 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 13 4.717 5.068 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.122 4.149 -3.876 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.236 3.100 -3.022 1.00 0.00 H new ATOM 179 N LEU A 14 1.779 4.669 -2.686 1.00 0.00 N ATOM 180 CA LEU A 14 0.412 5.180 -2.741 1.00 0.00 C ATOM 181 C LEU A 14 -0.452 4.297 -3.624 1.00 0.00 C ATOM 182 O LEU A 14 -1.400 4.765 -4.255 1.00 0.00 O ATOM 183 CB LEU A 14 0.371 6.625 -3.266 1.00 0.00 C ATOM 184 CG LEU A 14 0.895 7.700 -2.309 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.903 9.059 -2.988 1.00 0.00 C ATOM 186 CD2 LEU A 14 0.038 7.747 -1.051 1.00 0.00 C ATOM 0 H LEU A 14 2.045 4.108 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 14 0.021 5.171 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.951 6.673 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.660 6.868 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 14 1.918 7.446 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.278 9.811 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.547 9.023 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.111 9.320 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.421 8.515 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.992 7.981 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.071 6.779 -0.552 1.00 0.00 H new ATOM 197 N SER A 15 -0.212 3.002 -3.555 1.00 0.00 N ATOM 198 CA SER A 15 -1.067 2.046 -4.227 1.00 0.00 C ATOM 199 C SER A 15 -2.229 1.672 -3.306 1.00 0.00 C ATOM 200 O SER A 15 -2.007 1.179 -2.206 1.00 0.00 O ATOM 201 CB SER A 15 -0.256 0.805 -4.591 1.00 0.00 C ATOM 202 OG SER A 15 0.863 1.140 -5.397 1.00 0.00 O ATOM 0 H SER A 15 0.567 2.589 -3.041 1.00 0.00 H new ATOM 0 HA SER A 15 -1.467 2.485 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.083 0.310 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.891 0.096 -5.122 1.00 0.00 H new ATOM 0 HG SER A 15 1.618 1.385 -4.823 1.00 0.00 H new ATOM 207 N ALA A 16 -3.456 1.899 -3.746 1.00 0.00 N ATOM 208 CA ALA A 16 -4.622 1.562 -2.934 1.00 0.00 C ATOM 209 C ALA A 16 -5.074 0.129 -3.197 1.00 0.00 C ATOM 210 O ALA A 16 -5.154 -0.298 -4.348 1.00 0.00 O ATOM 211 CB ALA A 16 -5.760 2.537 -3.192 1.00 0.00 C ATOM 0 H ALA A 16 -3.673 2.312 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.335 1.641 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.618 2.266 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.437 3.547 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.042 2.497 -4.244 1.00 0.00 H new ATOM 217 N PHE A 17 -5.375 -0.604 -2.134 1.00 0.00 N ATOM 218 CA PHE A 17 -5.831 -1.987 -2.251 1.00 0.00 C ATOM 219 C PHE A 17 -7.129 -2.175 -1.486 1.00 0.00 C ATOM 220 O PHE A 17 -7.409 -1.434 -0.557 1.00 0.00 O ATOM 221 CB PHE A 17 -4.795 -2.987 -1.723 1.00 0.00 C ATOM 222 CG PHE A 17 -3.466 -2.950 -2.426 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.601 -1.882 -2.264 1.00 0.00 C ATOM 224 CD2 PHE A 17 -3.087 -3.987 -3.260 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.386 -1.850 -2.915 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.873 -3.961 -3.916 1.00 0.00 C ATOM 227 CZ PHE A 17 -1.021 -2.892 -3.743 1.00 0.00 C ATOM 0 H PHE A 17 -5.312 -0.264 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.983 -2.182 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.634 -2.796 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.206 -3.993 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.881 -1.062 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.750 -4.828 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.721 -1.010 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.591 -4.778 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.070 -2.870 -4.254 1.00 0.00 H new ATOM 236 N THR A 18 -7.912 -3.165 -1.871 1.00 0.00 N ATOM 237 CA THR A 18 -9.164 -3.446 -1.186 1.00 0.00 C ATOM 238 C THR A 18 -8.926 -4.086 0.181 1.00 0.00 C ATOM 239 O THR A 18 -9.598 -3.765 1.161 1.00 0.00 O ATOM 240 CB THR A 18 -10.071 -4.362 -2.021 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.352 -5.540 -2.419 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.607 -3.636 -3.245 1.00 0.00 C ATOM 0 H THR A 18 -7.706 -3.788 -2.652 1.00 0.00 H new ATOM 0 HA THR A 18 -9.661 -2.486 -1.046 1.00 0.00 H new ATOM 0 HB THR A 18 -10.920 -4.653 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.939 -6.118 -2.949 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.246 -4.309 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.186 -2.768 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.774 -3.310 -3.868 1.00 0.00 H new ATOM 250 N THR A 19 -8.027 -5.051 0.221 1.00 0.00 N ATOM 251 CA THR A 19 -7.765 -5.795 1.437 1.00 0.00 C ATOM 252 C THR A 19 -6.334 -5.576 1.901 1.00 0.00 C ATOM 253 O THR A 19 -5.413 -5.500 1.082 1.00 0.00 O ATOM 254 CB THR A 19 -8.005 -7.309 1.242 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.091 -7.831 0.272 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.433 -7.580 0.786 1.00 0.00 C ATOM 0 H THR A 19 -7.464 -5.339 -0.579 1.00 0.00 H new ATOM 0 HA THR A 19 -8.458 -5.426 2.193 1.00 0.00 H new ATOM 0 HB THR A 19 -7.843 -7.802 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.250 -8.791 0.156 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.576 -8.653 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.131 -7.209 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.615 -7.072 -0.161 1.00 0.00 H new ATOM 264 N LYS A 20 -6.144 -5.600 3.215 1.00 0.00 N ATOM 265 CA LYS A 20 -4.813 -5.546 3.799 1.00 0.00 C ATOM 266 C LYS A 20 -3.969 -6.672 3.261 1.00 0.00 C ATOM 267 O LYS A 20 -2.757 -6.537 3.103 1.00 0.00 O ATOM 268 CB LYS A 20 -4.866 -5.643 5.319 1.00 0.00 C ATOM 269 CG LYS A 20 -5.415 -4.399 5.956 1.00 0.00 C ATOM 270 CD LYS A 20 -5.407 -4.487 7.473 1.00 0.00 C ATOM 271 CE LYS A 20 -5.973 -3.225 8.101 1.00 0.00 C ATOM 272 NZ LYS A 20 -5.960 -3.285 9.587 1.00 0.00 N ATOM 0 H LYS A 20 -6.900 -5.657 3.897 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.372 -4.586 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.482 -6.496 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.863 -5.832 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.825 -3.539 5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.434 -4.232 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.992 -5.349 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.388 -4.646 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.394 -2.364 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.995 -3.075 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.355 -2.404 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.534 -4.091 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.982 -3.402 9.921 1.00 0.00 H new ATOM 282 N ALA A 21 -4.621 -7.796 3.036 1.00 0.00 N ATOM 283 CA ALA A 21 -3.950 -8.982 2.575 1.00 0.00 C ATOM 284 C ALA A 21 -3.180 -8.716 1.281 1.00 0.00 C ATOM 285 O ALA A 21 -2.025 -9.129 1.145 1.00 0.00 O ATOM 286 CB ALA A 21 -4.947 -10.115 2.389 1.00 0.00 C ATOM 0 H ALA A 21 -5.626 -7.906 3.169 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.226 -9.279 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.425 -11.006 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.435 -10.330 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.697 -9.823 1.654 1.00 0.00 H new ATOM 292 N ASN A 22 -3.788 -7.961 0.363 1.00 0.00 N ATOM 293 CA ASN A 22 -3.102 -7.578 -0.874 1.00 0.00 C ATOM 294 C ASN A 22 -1.917 -6.670 -0.578 1.00 0.00 C ATOM 295 O ASN A 22 -0.842 -6.833 -1.150 1.00 0.00 O ATOM 296 CB ASN A 22 -4.032 -6.876 -1.871 1.00 0.00 C ATOM 297 CG ASN A 22 -5.108 -7.778 -2.440 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.819 -8.846 -2.972 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.350 -7.326 -2.386 1.00 0.00 N ATOM 0 H ASN A 22 -4.741 -7.607 0.450 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.756 -8.506 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.506 -6.028 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.435 -6.475 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.109 -7.870 -2.796 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.549 -6.433 -1.935 1.00 0.00 H new ATOM 305 N CYS A 23 -2.123 -5.707 0.311 1.00 0.00 N ATOM 306 CA CYS A 23 -1.075 -4.762 0.678 1.00 0.00 C ATOM 307 C CYS A 23 0.122 -5.496 1.287 1.00 0.00 C ATOM 308 O CYS A 23 1.276 -5.138 1.043 1.00 0.00 O ATOM 309 CB CYS A 23 -1.625 -3.720 1.656 1.00 0.00 C ATOM 310 SG CYS A 23 -0.451 -2.421 2.110 1.00 0.00 S ATOM 0 H CYS A 23 -3.010 -5.559 0.793 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.736 -4.249 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.507 -3.256 1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.952 -4.229 2.563 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.018 -1.594 2.937 1.00 0.00 H new ATOM 315 N ALA A 24 -0.165 -6.519 2.091 1.00 0.00 N ATOM 316 CA ALA A 24 0.872 -7.299 2.755 1.00 0.00 C ATOM 317 C ALA A 24 1.811 -7.975 1.754 1.00 0.00 C ATOM 318 O ALA A 24 3.032 -7.898 1.895 1.00 0.00 O ATOM 319 CB ALA A 24 0.243 -8.332 3.674 1.00 0.00 C ATOM 0 H ALA A 24 -1.115 -6.827 2.298 1.00 0.00 H new ATOM 0 HA ALA A 24 1.473 -6.610 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.027 -8.908 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.362 -7.828 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.388 -9.002 3.090 1.00 0.00 H new ATOM 325 N ARG A 25 1.250 -8.616 0.731 1.00 0.00 N ATOM 326 CA ARG A 25 2.077 -9.261 -0.290 1.00 0.00 C ATOM 327 C ARG A 25 2.801 -8.204 -1.127 1.00 0.00 C ATOM 328 O ARG A 25 3.966 -8.370 -1.486 1.00 0.00 O ATOM 329 CB ARG A 25 1.257 -10.206 -1.183 1.00 0.00 C ATOM 330 CG ARG A 25 0.173 -9.527 -2.004 1.00 0.00 C ATOM 331 CD ARG A 25 -0.566 -10.519 -2.887 1.00 0.00 C ATOM 332 NE ARG A 25 -1.579 -9.865 -3.715 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.356 -10.496 -4.597 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.248 -11.808 -4.779 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.241 -9.805 -5.301 1.00 0.00 N ATOM 0 H ARG A 25 0.244 -8.703 0.586 1.00 0.00 H new ATOM 0 HA ARG A 25 2.819 -9.874 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.936 -10.723 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.794 -10.967 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.535 -9.036 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.619 -8.749 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.148 -11.036 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.041 -11.276 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.700 -8.858 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.566 -12.343 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.847 -12.280 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.325 -8.797 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.838 -10.281 -5.977 1.00 0.00 H new ATOM 346 N HIS A 26 2.115 -7.090 -1.354 1.00 0.00 N ATOM 347 CA HIS A 26 2.676 -5.937 -2.055 1.00 0.00 C ATOM 348 C HIS A 26 3.937 -5.415 -1.359 1.00 0.00 C ATOM 349 O HIS A 26 4.849 -4.914 -2.011 1.00 0.00 O ATOM 350 CB HIS A 26 1.616 -4.826 -2.097 1.00 0.00 C ATOM 351 CG HIS A 26 2.141 -3.485 -2.516 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.493 -3.138 -3.803 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.465 -2.426 -1.741 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.017 -1.898 -3.758 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.015 -1.431 -2.522 1.00 0.00 N ATOM 0 H HIS A 26 1.148 -6.959 -1.056 1.00 0.00 H new ATOM 0 HA HIS A 26 2.955 -6.243 -3.063 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.823 -5.123 -2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.165 -4.734 -1.109 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.378 -3.715 -4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.316 -2.368 -0.673 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.389 -1.358 -4.616 1.00 0.00 H new ATOM 362 N LEU A 27 3.869 -5.348 -0.035 1.00 0.00 N ATOM 363 CA LEU A 27 4.873 -4.665 0.782 1.00 0.00 C ATOM 364 C LEU A 27 6.313 -5.071 0.447 1.00 0.00 C ATOM 365 O LEU A 27 7.226 -4.250 0.566 1.00 0.00 O ATOM 366 CB LEU A 27 4.585 -4.930 2.264 1.00 0.00 C ATOM 367 CG LEU A 27 5.480 -4.184 3.251 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.322 -2.682 3.079 1.00 0.00 C ATOM 369 CD2 LEU A 27 5.147 -4.596 4.674 1.00 0.00 C ATOM 0 H LEU A 27 3.114 -5.767 0.508 1.00 0.00 H new ATOM 0 HA LEU A 27 4.796 -3.601 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.548 -4.664 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.682 -6.000 2.449 1.00 0.00 H new ATOM 0 HG LEU A 27 6.519 -4.445 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.966 -2.165 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.602 -2.401 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.284 -2.402 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.791 -4.058 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.105 -4.358 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.305 -5.668 4.789 1.00 0.00 H new ATOM 380 N LYS A 28 6.527 -6.350 0.147 1.00 0.00 N ATOM 381 CA LYS A 28 7.879 -6.884 -0.059 1.00 0.00 C ATOM 382 C LYS A 28 8.674 -6.090 -1.105 1.00 0.00 C ATOM 383 O LYS A 28 9.904 -6.038 -1.044 1.00 0.00 O ATOM 384 CB LYS A 28 7.833 -8.367 -0.453 1.00 0.00 C ATOM 385 CG LYS A 28 7.177 -8.644 -1.795 1.00 0.00 C ATOM 386 CD LYS A 28 7.241 -10.125 -2.134 1.00 0.00 C ATOM 387 CE LYS A 28 6.689 -10.421 -3.517 1.00 0.00 C ATOM 388 NZ LYS A 28 6.813 -11.861 -3.859 1.00 0.00 N ATOM 0 H LYS A 28 5.783 -7.040 0.040 1.00 0.00 H new ATOM 0 HA LYS A 28 8.397 -6.782 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.851 -8.756 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.297 -8.918 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.138 -8.317 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.675 -8.067 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.275 -10.465 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.678 -10.691 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.641 -10.125 -3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.221 -9.824 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.426 -12.026 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.815 -12.137 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.284 -12.429 -3.167 1.00 0.00 H new ATOM 398 N VAL A 29 7.975 -5.522 -2.084 1.00 0.00 N ATOM 399 CA VAL A 29 8.624 -4.781 -3.167 1.00 0.00 C ATOM 400 C VAL A 29 9.493 -3.645 -2.629 1.00 0.00 C ATOM 401 O VAL A 29 10.518 -3.301 -3.220 1.00 0.00 O ATOM 402 CB VAL A 29 7.608 -4.199 -4.181 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.748 -5.301 -4.774 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.738 -3.120 -3.547 1.00 0.00 C ATOM 0 H VAL A 29 6.958 -5.560 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 29 9.252 -5.506 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 29 8.177 -3.733 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.042 -4.869 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.384 -6.022 -5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.200 -5.804 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.038 -2.735 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.184 -3.545 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.370 -2.307 -3.188 1.00 0.00 H new ATOM 414 N HIS A 30 9.048 -3.030 -1.534 1.00 0.00 N ATOM 415 CA HIS A 30 9.742 -1.888 -0.947 1.00 0.00 C ATOM 416 C HIS A 30 10.967 -2.315 -0.142 1.00 0.00 C ATOM 417 O HIS A 30 11.283 -1.719 0.892 1.00 0.00 O ATOM 418 CB HIS A 30 8.782 -1.084 -0.066 1.00 0.00 C ATOM 419 CG HIS A 30 7.644 -0.456 -0.820 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.802 0.488 -1.815 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.306 -0.644 -0.694 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.577 0.837 -2.248 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.637 0.180 -1.595 1.00 0.00 N ATOM 0 H HIS A 30 8.204 -3.307 -1.034 1.00 0.00 H new ATOM 0 HA HIS A 30 10.093 -1.260 -1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.376 -1.740 0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.343 -0.301 0.445 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.689 0.855 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.834 -1.326 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.388 1.560 -3.028 1.00 0.00 H new ATOM 430 N THR A 31 11.717 -3.262 -0.694 1.00 0.00 N ATOM 431 CA THR A 31 12.990 -3.678 -0.126 1.00 0.00 C ATOM 432 C THR A 31 13.623 -4.789 -0.965 1.00 0.00 C ATOM 433 O THR A 31 14.782 -4.684 -1.366 1.00 0.00 O ATOM 434 CB THR A 31 12.859 -4.128 1.355 1.00 0.00 C ATOM 435 OG1 THR A 31 14.133 -4.550 1.862 1.00 0.00 O ATOM 436 CG2 THR A 31 11.845 -5.253 1.525 1.00 0.00 C ATOM 0 H THR A 31 11.459 -3.761 -1.546 1.00 0.00 H new ATOM 0 HA THR A 31 13.642 -2.805 -0.143 1.00 0.00 H new ATOM 0 HB THR A 31 12.503 -3.267 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.037 -4.830 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.787 -5.535 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.866 -4.915 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 31 12.156 -6.115 0.935 1.00 0.00 H new ATOM 444 N ASP A 32 12.854 -5.833 -1.273 1.00 0.00 N ATOM 445 CA ASP A 32 13.361 -6.926 -2.098 1.00 0.00 C ATOM 446 C ASP A 32 13.050 -6.660 -3.574 1.00 0.00 C ATOM 447 O ASP A 32 12.886 -7.578 -4.376 1.00 0.00 O ATOM 448 CB ASP A 32 12.759 -8.263 -1.643 1.00 0.00 C ATOM 449 CG ASP A 32 13.418 -9.458 -2.306 1.00 0.00 C ATOM 450 OD1 ASP A 32 14.642 -9.643 -2.122 1.00 0.00 O ATOM 451 OD2 ASP A 32 12.721 -10.223 -2.999 1.00 0.00 O ATOM 0 H ASP A 32 11.887 -5.944 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 32 14.443 -6.985 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.859 -8.352 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.692 -8.271 -1.867 1.00 0.00 H new ATOM 455 N THR A 33 13.042 -5.387 -3.931 1.00 0.00 N ATOM 456 CA THR A 33 12.840 -4.947 -5.302 1.00 0.00 C ATOM 457 C THR A 33 13.359 -3.513 -5.395 1.00 0.00 C ATOM 458 O THR A 33 12.790 -2.641 -6.053 1.00 0.00 O ATOM 459 CB THR A 33 11.343 -5.016 -5.712 1.00 0.00 C ATOM 460 OG1 THR A 33 10.820 -6.325 -5.443 1.00 0.00 O ATOM 461 CG2 THR A 33 11.163 -4.720 -7.192 1.00 0.00 C ATOM 0 H THR A 33 13.177 -4.621 -3.271 1.00 0.00 H new ATOM 0 HA THR A 33 13.377 -5.603 -5.987 1.00 0.00 H new ATOM 0 HB THR A 33 10.807 -4.266 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.558 -6.969 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.105 -4.776 -7.448 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.537 -3.720 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.718 -5.452 -7.779 1.00 0.00 H new ATOM 469 N LEU A 34 14.441 -3.290 -4.661 1.00 0.00 N ATOM 470 CA LEU A 34 15.083 -1.986 -4.533 1.00 0.00 C ATOM 471 C LEU A 34 16.512 -2.202 -4.066 1.00 0.00 C ATOM 472 O LEU A 34 16.945 -1.647 -3.054 1.00 0.00 O ATOM 473 CB LEU A 34 14.348 -1.096 -3.515 1.00 0.00 C ATOM 474 CG LEU A 34 12.949 -0.613 -3.909 1.00 0.00 C ATOM 475 CD1 LEU A 34 12.305 0.127 -2.751 1.00 0.00 C ATOM 476 CD2 LEU A 34 13.021 0.295 -5.128 1.00 0.00 C ATOM 0 H LEU A 34 14.907 -4.024 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 34 15.057 -1.484 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.267 -1.646 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.967 -0.221 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 34 12.342 -1.483 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.311 0.465 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.223 -0.540 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.917 0.988 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.018 0.628 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.643 1.161 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.454 -0.253 -5.965 1.00 0.00 H new ATOM 487 N SER A 35 17.184 -3.124 -4.733 1.00 0.00 N ATOM 488 CA SER A 35 18.502 -3.562 -4.325 1.00 0.00 C ATOM 489 C SER A 35 19.208 -4.228 -5.493 1.00 0.00 C ATOM 490 O SER A 35 20.412 -4.532 -5.377 1.00 0.00 O ATOM 491 CB SER A 35 18.375 -4.526 -3.145 1.00 0.00 C ATOM 492 OG SER A 35 17.484 -5.591 -3.445 1.00 0.00 O ATOM 493 OXT SER A 35 18.555 -4.418 -6.540 1.00 0.00 O ATOM 0 H SER A 35 16.830 -3.587 -5.570 1.00 0.00 H new ATOM 0 HA SER A 35 19.095 -2.703 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.356 -4.929 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.018 -3.986 -2.268 1.00 0.00 H new ATOM 0 HG SER A 35 17.423 -6.193 -2.674 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.680 0.307 -1.912 1.00 0.00 ZN