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 18 THR OG1 : rot 180:sc= -0.0487 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= -0.343 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.903 K(o=-1.3,f=0.19) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 57:sc= 0.208 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 69:sc= 1.4 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0354 (180deg=-0.296) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 1.12 (180deg=-0.991) USER MOD Single : A 31 THR OG1 : rot 4:sc= 0.972 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.238 -10.171 6.698 1.00 0.00 N ATOM 2 CA GLY A 1 -14.154 -10.025 5.700 1.00 0.00 C ATOM 3 C GLY A 1 -14.630 -10.268 4.281 1.00 0.00 C ATOM 4 O GLY A 1 -13.962 -10.957 3.511 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.859 -9.995 7.650 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.993 -9.486 6.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.624 -11.135 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.733 -9.022 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.352 -10.725 5.935 1.00 0.00 H new ATOM 10 N SER A 2 -15.761 -9.669 3.922 1.00 0.00 N ATOM 11 CA SER A 2 -16.309 -9.771 2.573 1.00 0.00 C ATOM 12 C SER A 2 -15.532 -8.876 1.605 1.00 0.00 C ATOM 13 O SER A 2 -16.110 -7.974 0.996 1.00 0.00 O ATOM 14 CB SER A 2 -17.790 -9.382 2.585 1.00 0.00 C ATOM 15 OG SER A 2 -17.964 -8.063 3.081 1.00 0.00 O ATOM 0 H SER A 2 -16.323 -9.100 4.556 1.00 0.00 H new ATOM 0 HA SER A 2 -16.214 -10.802 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.197 -9.452 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.349 -10.084 3.203 1.00 0.00 H new ATOM 0 HG SER A 2 -17.443 -7.437 2.536 1.00 0.00 H new ATOM 20 N SER A 3 -14.207 -9.039 1.595 1.00 0.00 N ATOM 21 CA SER A 3 -13.303 -8.163 0.854 1.00 0.00 C ATOM 22 C SER A 3 -13.215 -6.793 1.530 1.00 0.00 C ATOM 23 O SER A 3 -14.185 -6.316 2.122 1.00 0.00 O ATOM 24 CB SER A 3 -13.743 -8.029 -0.608 1.00 0.00 C ATOM 25 OG SER A 3 -13.797 -9.301 -1.235 1.00 0.00 O ATOM 0 H SER A 3 -13.732 -9.785 2.103 1.00 0.00 H new ATOM 0 HA SER A 3 -12.310 -8.611 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.722 -7.553 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.048 -7.383 -1.144 1.00 0.00 H new ATOM 0 HG SER A 3 -14.081 -9.195 -2.167 1.00 0.00 H new ATOM 30 N GLY A 4 -12.005 -6.246 1.570 1.00 0.00 N ATOM 31 CA GLY A 4 -11.747 -5.020 2.313 1.00 0.00 C ATOM 32 C GLY A 4 -12.416 -3.786 1.728 1.00 0.00 C ATOM 33 O GLY A 4 -13.631 -3.751 1.528 1.00 0.00 O ATOM 0 H GLY A 4 -11.188 -6.633 1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.087 -5.152 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.671 -4.852 2.353 1.00 0.00 H new ATOM 37 N LYS A 5 -11.627 -2.741 1.539 1.00 0.00 N ATOM 38 CA LYS A 5 -12.125 -1.459 1.083 1.00 0.00 C ATOM 39 C LYS A 5 -10.939 -0.649 0.550 1.00 0.00 C ATOM 40 O LYS A 5 -9.808 -1.114 0.603 1.00 0.00 O ATOM 41 CB LYS A 5 -12.817 -0.734 2.243 1.00 0.00 C ATOM 42 CG LYS A 5 -13.661 0.458 1.828 1.00 0.00 C ATOM 43 CD LYS A 5 -14.216 1.168 3.046 1.00 0.00 C ATOM 44 CE LYS A 5 -15.077 2.364 2.664 1.00 0.00 C ATOM 45 NZ LYS A 5 -15.578 3.090 3.860 1.00 0.00 N ATOM 0 H LYS A 5 -10.620 -2.761 1.699 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.858 -1.588 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.451 -1.445 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.058 -0.397 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.058 1.150 1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.480 0.126 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.808 0.468 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.393 1.501 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.496 3.046 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.922 2.026 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.160 3.897 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.153 2.447 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.772 3.435 4.420 1.00 0.00 H new ATOM 55 N ARG A 6 -11.216 0.453 -0.127 1.00 0.00 N ATOM 56 CA ARG A 6 -10.182 1.178 -0.868 1.00 0.00 C ATOM 57 C ARG A 6 -9.198 2.012 0.000 1.00 0.00 C ATOM 58 O ARG A 6 -8.095 2.293 -0.469 1.00 0.00 O ATOM 59 CB ARG A 6 -10.839 2.070 -1.925 1.00 0.00 C ATOM 60 CG ARG A 6 -9.863 2.678 -2.922 1.00 0.00 C ATOM 61 CD ARG A 6 -9.100 1.597 -3.679 1.00 0.00 C ATOM 62 NE ARG A 6 -9.991 0.693 -4.412 1.00 0.00 N ATOM 63 CZ ARG A 6 -9.576 -0.345 -5.144 1.00 0.00 C ATOM 64 NH1 ARG A 6 -8.280 -0.624 -5.251 1.00 0.00 N ATOM 65 NH2 ARG A 6 -10.464 -1.112 -5.768 1.00 0.00 N ATOM 0 H ARG A 6 -12.145 0.870 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.563 0.409 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.579 1.484 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.376 2.874 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.406 3.306 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.159 3.324 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.408 2.067 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.500 1.020 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.995 0.868 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.592 -0.043 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.974 -1.419 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.460 -0.908 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.149 -1.905 -6.327 1.00 0.00 H new ATOM 76 N PRO A 7 -9.548 2.459 1.237 1.00 0.00 N ATOM 77 CA PRO A 7 -8.642 3.290 2.068 1.00 0.00 C ATOM 78 C PRO A 7 -7.336 2.596 2.471 1.00 0.00 C ATOM 79 O PRO A 7 -6.497 3.195 3.151 1.00 0.00 O ATOM 80 CB PRO A 7 -9.481 3.575 3.314 1.00 0.00 C ATOM 81 CG PRO A 7 -10.448 2.455 3.360 1.00 0.00 C ATOM 82 CD PRO A 7 -10.825 2.249 1.934 1.00 0.00 C ATOM 0 HA PRO A 7 -8.314 4.171 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.864 3.606 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.988 4.537 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.001 1.558 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.316 2.701 3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.224 1.250 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.587 2.957 1.609 1.00 0.00 H new ATOM 87 N PHE A 8 -7.173 1.345 2.066 1.00 0.00 N ATOM 88 CA PHE A 8 -5.982 0.563 2.395 1.00 0.00 C ATOM 89 C PHE A 8 -4.804 0.965 1.506 1.00 0.00 C ATOM 90 O PHE A 8 -4.217 0.124 0.825 1.00 0.00 O ATOM 91 CB PHE A 8 -6.245 -0.934 2.207 1.00 0.00 C ATOM 92 CG PHE A 8 -7.326 -1.526 3.074 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.313 -0.741 3.647 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.370 -2.893 3.272 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.321 -1.308 4.401 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.369 -3.471 4.027 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.350 -2.674 4.593 1.00 0.00 C ATOM 0 H PHE A 8 -7.858 0.842 1.502 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.739 0.765 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.506 -1.109 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.317 -1.473 2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.294 0.329 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.610 -3.519 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.085 -0.684 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.386 -4.541 4.176 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.136 -3.121 5.184 1.00 0.00 H new ATOM 106 N VAL A 9 -4.501 2.252 1.456 1.00 0.00 N ATOM 107 CA VAL A 9 -3.443 2.743 0.590 1.00 0.00 C ATOM 108 C VAL A 9 -2.080 2.458 1.216 1.00 0.00 C ATOM 109 O VAL A 9 -1.910 2.547 2.437 1.00 0.00 O ATOM 110 CB VAL A 9 -3.579 4.258 0.302 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.247 5.089 1.529 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.708 4.667 -0.874 1.00 0.00 C ATOM 0 H VAL A 9 -4.971 2.973 2.003 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.532 2.217 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.620 4.450 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.353 6.147 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.928 4.829 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.221 4.887 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.821 5.736 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.665 4.446 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.012 4.113 -1.762 1.00 0.00 H new ATOM 122 N CYS A 10 -1.131 2.078 0.378 1.00 0.00 N ATOM 123 CA CYS A 10 0.203 1.744 0.827 1.00 0.00 C ATOM 124 C CYS A 10 0.857 2.916 1.545 1.00 0.00 C ATOM 125 O CYS A 10 0.822 4.054 1.075 1.00 0.00 O ATOM 126 CB CYS A 10 1.049 1.328 -0.365 1.00 0.00 C ATOM 127 SG CYS A 10 2.789 0.975 0.017 1.00 0.00 S ATOM 0 H CYS A 10 -1.266 1.993 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 10 0.130 0.918 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.604 0.441 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.010 2.119 -1.113 1.00 0.00 H new ATOM 131 N ARG A 11 1.483 2.605 2.665 1.00 0.00 N ATOM 132 CA ARG A 11 2.202 3.585 3.459 1.00 0.00 C ATOM 133 C ARG A 11 3.449 4.083 2.728 1.00 0.00 C ATOM 134 O ARG A 11 3.850 5.234 2.890 1.00 0.00 O ATOM 135 CB ARG A 11 2.596 2.982 4.810 1.00 0.00 C ATOM 136 CG ARG A 11 3.472 1.742 4.689 1.00 0.00 C ATOM 137 CD ARG A 11 3.880 1.198 6.042 1.00 0.00 C ATOM 138 NE ARG A 11 4.628 2.175 6.828 1.00 0.00 N ATOM 139 CZ ARG A 11 5.162 1.914 8.017 1.00 0.00 C ATOM 140 NH1 ARG A 11 5.091 0.692 8.528 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.780 2.873 8.686 1.00 0.00 N ATOM 0 H ARG A 11 1.507 1.661 3.052 1.00 0.00 H new ATOM 0 HA ARG A 11 1.541 4.436 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.124 3.735 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.692 2.726 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.934 0.972 4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.365 1.984 4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.990 0.896 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.488 0.304 5.904 1.00 0.00 H new ATOM 0 HE ARG A 11 4.748 3.112 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.625 -0.052 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.502 0.496 9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.846 3.810 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.191 2.675 9.599 1.00 0.00 H new ATOM 152 N ILE A 12 4.138 3.178 2.033 1.00 0.00 N ATOM 153 CA ILE A 12 5.415 3.519 1.424 1.00 0.00 C ATOM 154 C ILE A 12 5.223 4.287 0.123 1.00 0.00 C ATOM 155 O ILE A 12 5.727 5.404 -0.021 1.00 0.00 O ATOM 156 CB ILE A 12 6.281 2.268 1.164 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.462 1.457 2.454 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.639 2.674 0.602 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.133 2.228 3.572 1.00 0.00 C ATOM 0 H ILE A 12 3.835 2.216 1.881 1.00 0.00 H new ATOM 0 HA ILE A 12 5.937 4.157 2.137 1.00 0.00 H new ATOM 0 HB ILE A 12 5.770 1.642 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.486 1.114 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.052 0.568 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.240 1.782 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.499 3.211 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.150 3.319 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.226 1.589 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.124 2.548 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.533 3.103 3.822 1.00 0.00 H new ATOM 170 N CYS A 13 4.410 3.748 -0.779 1.00 0.00 N ATOM 171 CA CYS A 13 4.081 4.475 -1.992 1.00 0.00 C ATOM 172 C CYS A 13 2.704 5.127 -1.850 1.00 0.00 C ATOM 173 O CYS A 13 2.470 5.875 -0.900 1.00 0.00 O ATOM 174 CB CYS A 13 4.212 3.591 -3.260 1.00 0.00 C ATOM 175 SG CYS A 13 3.079 2.163 -3.416 1.00 0.00 S ATOM 0 H CYS A 13 3.976 2.829 -0.694 1.00 0.00 H new ATOM 0 HA CYS A 13 4.810 5.273 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.069 4.230 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.234 3.215 -3.304 1.00 0.00 H new ATOM 179 N LEU A 14 1.793 4.792 -2.747 1.00 0.00 N ATOM 180 CA LEU A 14 0.414 5.277 -2.700 1.00 0.00 C ATOM 181 C LEU A 14 -0.492 4.376 -3.517 1.00 0.00 C ATOM 182 O LEU A 14 -1.497 4.821 -4.071 1.00 0.00 O ATOM 183 CB LEU A 14 0.291 6.711 -3.231 1.00 0.00 C ATOM 184 CG LEU A 14 0.762 7.818 -2.292 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.686 9.166 -2.987 1.00 0.00 C ATOM 186 CD2 LEU A 14 -0.087 7.828 -1.028 1.00 0.00 C ATOM 0 H LEU A 14 1.985 4.173 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 14 0.111 5.267 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.859 6.783 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.754 6.895 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 14 1.799 7.627 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.025 9.946 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.322 9.156 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.344 9.365 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.257 8.621 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.130 8.003 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.003 6.867 -0.521 1.00 0.00 H new ATOM 197 N SER A 15 -0.181 3.093 -3.523 1.00 0.00 N ATOM 198 CA SER A 15 -1.018 2.121 -4.194 1.00 0.00 C ATOM 199 C SER A 15 -2.167 1.703 -3.279 1.00 0.00 C ATOM 200 O SER A 15 -1.940 1.265 -2.153 1.00 0.00 O ATOM 201 CB SER A 15 -0.170 0.915 -4.587 1.00 0.00 C ATOM 202 OG SER A 15 0.936 1.313 -5.382 1.00 0.00 O ATOM 0 H SER A 15 0.645 2.702 -3.070 1.00 0.00 H new ATOM 0 HA SER A 15 -1.445 2.561 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.185 0.407 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.781 0.200 -5.138 1.00 0.00 H new ATOM 0 HG SER A 15 1.569 1.820 -4.832 1.00 0.00 H new ATOM 207 N ALA A 16 -3.393 1.840 -3.759 1.00 0.00 N ATOM 208 CA ALA A 16 -4.562 1.469 -2.974 1.00 0.00 C ATOM 209 C ALA A 16 -4.942 0.010 -3.220 1.00 0.00 C ATOM 210 O ALA A 16 -5.031 -0.424 -4.371 1.00 0.00 O ATOM 211 CB ALA A 16 -5.728 2.388 -3.304 1.00 0.00 C ATOM 0 H ALA A 16 -3.605 2.205 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.317 1.580 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.596 2.101 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.456 3.418 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.969 2.304 -4.364 1.00 0.00 H new ATOM 217 N PHE A 17 -5.192 -0.737 -2.151 1.00 0.00 N ATOM 218 CA PHE A 17 -5.588 -2.138 -2.271 1.00 0.00 C ATOM 219 C PHE A 17 -6.855 -2.396 -1.473 1.00 0.00 C ATOM 220 O PHE A 17 -7.083 -1.758 -0.454 1.00 0.00 O ATOM 221 CB PHE A 17 -4.486 -3.090 -1.788 1.00 0.00 C ATOM 222 CG PHE A 17 -3.197 -2.986 -2.553 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.378 -1.882 -2.416 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.815 -3.991 -3.427 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.204 -1.782 -3.131 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.643 -3.895 -4.147 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.835 -2.789 -3.998 1.00 0.00 C ATOM 0 H PHE A 17 -5.128 -0.398 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.766 -2.332 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.287 -2.891 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.853 -4.114 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.661 -1.088 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.444 -4.861 -3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.572 -0.914 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.359 -4.685 -4.826 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.085 -2.711 -4.559 1.00 0.00 H new ATOM 236 N THR A 18 -7.694 -3.294 -1.970 1.00 0.00 N ATOM 237 CA THR A 18 -8.961 -3.600 -1.320 1.00 0.00 C ATOM 238 C THR A 18 -8.758 -4.300 0.027 1.00 0.00 C ATOM 239 O THR A 18 -9.209 -3.820 1.060 1.00 0.00 O ATOM 240 CB THR A 18 -9.834 -4.487 -2.228 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.081 -5.637 -2.651 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.319 -3.711 -3.443 1.00 0.00 C ATOM 0 H THR A 18 -7.520 -3.825 -2.823 1.00 0.00 H new ATOM 0 HA THR A 18 -9.464 -2.650 -1.140 1.00 0.00 H new ATOM 0 HB THR A 18 -10.706 -4.811 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.639 -6.200 -3.227 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.933 -4.360 -4.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.911 -2.856 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.461 -3.360 -4.017 1.00 0.00 H new ATOM 250 N THR A 19 -8.088 -5.437 0.011 1.00 0.00 N ATOM 251 CA THR A 19 -7.838 -6.193 1.227 1.00 0.00 C ATOM 252 C THR A 19 -6.459 -5.891 1.791 1.00 0.00 C ATOM 253 O THR A 19 -5.503 -5.689 1.036 1.00 0.00 O ATOM 254 CB THR A 19 -7.973 -7.712 0.996 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.015 -8.151 0.026 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.376 -8.068 0.529 1.00 0.00 C ATOM 0 H THR A 19 -7.705 -5.860 -0.834 1.00 0.00 H new ATOM 0 HA THR A 19 -8.595 -5.882 1.947 1.00 0.00 H new ATOM 0 HB THR A 19 -7.784 -8.216 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.108 -9.117 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.445 -9.145 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.099 -7.763 1.285 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.590 -7.551 -0.407 1.00 0.00 H new ATOM 264 N LYS A 20 -6.340 -6.022 3.106 1.00 0.00 N ATOM 265 CA LYS A 20 -5.049 -5.944 3.775 1.00 0.00 C ATOM 266 C LYS A 20 -4.097 -6.954 3.189 1.00 0.00 C ATOM 267 O LYS A 20 -2.890 -6.716 3.107 1.00 0.00 O ATOM 268 CB LYS A 20 -5.197 -6.209 5.269 1.00 0.00 C ATOM 269 CG LYS A 20 -5.834 -5.065 6.011 1.00 0.00 C ATOM 270 CD LYS A 20 -5.989 -5.373 7.492 1.00 0.00 C ATOM 271 CE LYS A 20 -6.546 -4.182 8.258 1.00 0.00 C ATOM 272 NZ LYS A 20 -5.631 -3.010 8.193 1.00 0.00 N ATOM 0 H LYS A 20 -7.128 -6.184 3.733 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.655 -4.938 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.796 -7.108 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.214 -6.409 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.227 -4.168 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.812 -4.851 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.651 -6.229 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.022 -5.654 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.518 -3.908 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.706 -4.461 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.915 -2.308 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.656 -3.320 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.682 -2.582 7.247 1.00 0.00 H new ATOM 282 N ALA A 21 -4.645 -8.100 2.834 1.00 0.00 N ATOM 283 CA ALA A 21 -3.855 -9.186 2.311 1.00 0.00 C ATOM 284 C ALA A 21 -3.095 -8.762 1.054 1.00 0.00 C ATOM 285 O ALA A 21 -1.910 -9.071 0.907 1.00 0.00 O ATOM 286 CB ALA A 21 -4.730 -10.399 2.037 1.00 0.00 C ATOM 0 H ALA A 21 -5.643 -8.299 2.901 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.117 -9.461 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.116 -11.209 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.205 -10.722 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.497 -10.137 1.308 1.00 0.00 H new ATOM 292 N ASN A 22 -3.752 -7.992 0.183 1.00 0.00 N ATOM 293 CA ASN A 22 -3.082 -7.471 -1.011 1.00 0.00 C ATOM 294 C ASN A 22 -1.964 -6.514 -0.623 1.00 0.00 C ATOM 295 O ASN A 22 -0.867 -6.573 -1.169 1.00 0.00 O ATOM 296 CB ASN A 22 -4.045 -6.750 -1.960 1.00 0.00 C ATOM 297 CG ASN A 22 -5.108 -7.653 -2.547 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.811 -8.708 -3.097 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.349 -7.210 -2.488 1.00 0.00 N ATOM 0 H ASN A 22 -4.730 -7.719 0.279 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.674 -8.335 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.529 -5.935 -1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.473 -6.301 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.104 -7.751 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.554 -6.327 -2.021 1.00 0.00 H new ATOM 305 N CYS A 23 -2.244 -5.650 0.339 1.00 0.00 N ATOM 306 CA CYS A 23 -1.258 -4.695 0.822 1.00 0.00 C ATOM 307 C CYS A 23 -0.056 -5.429 1.422 1.00 0.00 C ATOM 308 O CYS A 23 1.091 -5.035 1.217 1.00 0.00 O ATOM 309 CB CYS A 23 -1.894 -3.757 1.851 1.00 0.00 C ATOM 310 SG CYS A 23 -0.793 -2.461 2.460 1.00 0.00 S ATOM 0 H CYS A 23 -3.150 -5.590 0.803 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.905 -4.096 -0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.773 -3.291 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.242 -4.349 2.698 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.427 -1.723 3.322 1.00 0.00 H new ATOM 315 N ALA A 24 -0.329 -6.508 2.151 1.00 0.00 N ATOM 316 CA ALA A 24 0.721 -7.308 2.770 1.00 0.00 C ATOM 317 C ALA A 24 1.661 -7.916 1.731 1.00 0.00 C ATOM 318 O ALA A 24 2.882 -7.801 1.846 1.00 0.00 O ATOM 319 CB ALA A 24 0.107 -8.403 3.628 1.00 0.00 C ATOM 0 H ALA A 24 -1.274 -6.849 2.327 1.00 0.00 H new ATOM 0 HA ALA A 24 1.314 -6.644 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.900 -8.994 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.506 -7.953 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.514 -9.048 3.006 1.00 0.00 H new ATOM 325 N ARG A 25 1.090 -8.546 0.706 1.00 0.00 N ATOM 326 CA ARG A 25 1.895 -9.146 -0.354 1.00 0.00 C ATOM 327 C ARG A 25 2.604 -8.056 -1.153 1.00 0.00 C ATOM 328 O ARG A 25 3.711 -8.253 -1.644 1.00 0.00 O ATOM 329 CB ARG A 25 1.051 -10.042 -1.274 1.00 0.00 C ATOM 330 CG ARG A 25 0.028 -9.304 -2.118 1.00 0.00 C ATOM 331 CD ARG A 25 -0.755 -10.259 -3.004 1.00 0.00 C ATOM 332 NE ARG A 25 -1.656 -9.545 -3.904 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.484 -10.139 -4.762 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.544 -11.466 -4.825 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.249 -9.406 -5.560 1.00 0.00 N ATOM 0 H ARG A 25 0.083 -8.653 0.588 1.00 0.00 H new ATOM 0 HA ARG A 25 2.645 -9.785 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.720 -10.591 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.532 -10.780 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.659 -8.763 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.532 -8.562 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.062 -10.865 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.330 -10.944 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.651 -8.525 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.955 -12.033 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.179 -11.917 -5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.203 -8.388 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.883 -9.860 -6.217 1.00 0.00 H new ATOM 346 N HIS A 26 1.974 -6.893 -1.238 1.00 0.00 N ATOM 347 CA HIS A 26 2.553 -5.743 -1.917 1.00 0.00 C ATOM 348 C HIS A 26 3.796 -5.226 -1.188 1.00 0.00 C ATOM 349 O HIS A 26 4.758 -4.809 -1.823 1.00 0.00 O ATOM 350 CB HIS A 26 1.516 -4.616 -2.001 1.00 0.00 C ATOM 351 CG HIS A 26 2.085 -3.301 -2.447 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.470 -3.001 -3.737 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.425 -2.225 -1.698 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.024 -1.778 -3.723 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.016 -1.271 -2.505 1.00 0.00 N ATOM 0 H HIS A 26 1.051 -6.720 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 26 2.848 -6.061 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.726 -4.912 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.053 -4.488 -1.023 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.355 -3.600 -4.554 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.260 -2.128 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.423 -1.276 -4.592 1.00 0.00 H new ATOM 362 N LEU A 27 3.669 -5.058 0.123 1.00 0.00 N ATOM 363 CA LEU A 27 4.667 -4.348 0.928 1.00 0.00 C ATOM 364 C LEU A 27 6.093 -4.826 0.652 1.00 0.00 C ATOM 365 O LEU A 27 7.032 -4.027 0.642 1.00 0.00 O ATOM 366 CB LEU A 27 4.339 -4.514 2.416 1.00 0.00 C ATOM 367 CG LEU A 27 5.239 -3.733 3.375 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.118 -2.239 3.117 1.00 0.00 C ATOM 369 CD2 LEU A 27 4.889 -4.062 4.820 1.00 0.00 C ATOM 0 H LEU A 27 2.876 -5.407 0.661 1.00 0.00 H new ATOM 0 HA LEU A 27 4.623 -3.296 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.307 -4.205 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.399 -5.573 2.668 1.00 0.00 H new ATOM 0 HG LEU A 27 6.274 -4.028 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.764 -1.697 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.418 -2.021 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.085 -1.926 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.539 -3.498 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.850 -3.795 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.028 -5.129 4.994 1.00 0.00 H new ATOM 380 N LYS A 28 6.246 -6.129 0.486 1.00 0.00 N ATOM 381 CA LYS A 28 7.553 -6.747 0.282 1.00 0.00 C ATOM 382 C LYS A 28 8.316 -6.154 -0.913 1.00 0.00 C ATOM 383 O LYS A 28 9.549 -6.171 -0.928 1.00 0.00 O ATOM 384 CB LYS A 28 7.401 -8.266 0.150 1.00 0.00 C ATOM 385 CG LYS A 28 6.536 -8.708 -1.016 1.00 0.00 C ATOM 386 CD LYS A 28 6.230 -10.202 -0.959 1.00 0.00 C ATOM 387 CE LYS A 28 7.495 -11.043 -0.959 1.00 0.00 C ATOM 388 NZ LYS A 28 8.303 -10.829 -2.187 1.00 0.00 N ATOM 0 H LYS A 28 5.470 -6.791 0.488 1.00 0.00 H new ATOM 0 HA LYS A 28 8.158 -6.526 1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.390 -8.710 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.974 -8.658 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.603 -8.145 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.042 -8.476 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.650 -10.419 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.611 -10.478 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.095 -10.797 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.230 -12.097 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.800 -11.709 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.677 -10.554 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.998 -10.074 -2.018 1.00 0.00 H new ATOM 398 N VAL A 29 7.601 -5.603 -1.900 1.00 0.00 N ATOM 399 CA VAL A 29 8.259 -4.982 -3.058 1.00 0.00 C ATOM 400 C VAL A 29 9.207 -3.869 -2.617 1.00 0.00 C ATOM 401 O VAL A 29 10.256 -3.664 -3.214 1.00 0.00 O ATOM 402 CB VAL A 29 7.264 -4.400 -4.095 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.316 -5.471 -4.599 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.496 -3.206 -3.543 1.00 0.00 C ATOM 0 H VAL A 29 6.582 -5.573 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 29 8.813 -5.788 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 29 7.853 -4.040 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.629 -5.036 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.888 -6.269 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.749 -5.879 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.811 -2.831 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.929 -3.513 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.197 -2.419 -3.266 1.00 0.00 H new ATOM 414 N HIS A 30 8.822 -3.133 -1.585 1.00 0.00 N ATOM 415 CA HIS A 30 9.621 -2.013 -1.105 1.00 0.00 C ATOM 416 C HIS A 30 10.801 -2.472 -0.282 1.00 0.00 C ATOM 417 O HIS A 30 11.220 -1.778 0.642 1.00 0.00 O ATOM 418 CB HIS A 30 8.772 -1.104 -0.243 1.00 0.00 C ATOM 419 CG HIS A 30 7.658 -0.425 -0.983 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.832 0.434 -2.053 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.322 -0.499 -0.781 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.610 0.843 -2.450 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.668 0.304 -1.703 1.00 0.00 N ATOM 0 H HIS A 30 7.960 -3.291 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 30 9.988 -1.484 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.348 -1.687 0.574 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.412 -0.344 0.206 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.723 0.708 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.839 -1.092 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.428 1.521 -3.270 1.00 0.00 H new ATOM 430 N THR A 31 11.352 -3.605 -0.653 1.00 0.00 N ATOM 431 CA THR A 31 12.507 -4.167 0.005 1.00 0.00 C ATOM 432 C THR A 31 13.158 -5.213 -0.899 1.00 0.00 C ATOM 433 O THR A 31 14.374 -5.199 -1.101 1.00 0.00 O ATOM 434 CB THR A 31 12.140 -4.797 1.374 1.00 0.00 C ATOM 435 OG1 THR A 31 10.943 -5.579 1.273 1.00 0.00 O ATOM 436 CG2 THR A 31 11.991 -3.764 2.482 1.00 0.00 C ATOM 0 H THR A 31 11.006 -4.168 -1.430 1.00 0.00 H new ATOM 0 HA THR A 31 13.212 -3.358 0.195 1.00 0.00 H new ATOM 0 HB THR A 31 12.975 -5.444 1.644 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.641 -5.596 0.341 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.734 -4.266 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.931 -3.226 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.202 -3.060 2.219 1.00 0.00 H new ATOM 444 N ASP A 32 12.336 -6.079 -1.495 1.00 0.00 N ATOM 445 CA ASP A 32 12.835 -7.081 -2.439 1.00 0.00 C ATOM 446 C ASP A 32 13.191 -6.447 -3.776 1.00 0.00 C ATOM 447 O ASP A 32 14.335 -6.510 -4.221 1.00 0.00 O ATOM 448 CB ASP A 32 11.796 -8.183 -2.681 1.00 0.00 C ATOM 449 CG ASP A 32 11.488 -9.013 -1.454 1.00 0.00 C ATOM 450 OD1 ASP A 32 12.075 -8.764 -0.386 1.00 0.00 O ATOM 451 OD2 ASP A 32 10.654 -9.931 -1.561 1.00 0.00 O ATOM 0 H ASP A 32 11.328 -6.107 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 32 13.729 -7.517 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.874 -7.727 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.156 -8.841 -3.472 1.00 0.00 H new ATOM 455 N THR A 33 12.202 -5.822 -4.403 1.00 0.00 N ATOM 456 CA THR A 33 12.390 -5.150 -5.680 1.00 0.00 C ATOM 457 C THR A 33 11.228 -4.200 -5.945 1.00 0.00 C ATOM 458 O THR A 33 10.064 -4.557 -5.751 1.00 0.00 O ATOM 459 CB THR A 33 12.524 -6.156 -6.849 1.00 0.00 C ATOM 460 OG1 THR A 33 12.666 -5.452 -8.090 1.00 0.00 O ATOM 461 CG2 THR A 33 11.321 -7.088 -6.926 1.00 0.00 C ATOM 0 H THR A 33 11.250 -5.767 -4.041 1.00 0.00 H new ATOM 0 HA THR A 33 13.321 -4.586 -5.621 1.00 0.00 H new ATOM 0 HB THR A 33 13.412 -6.761 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.752 -6.096 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.450 -7.780 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.236 -7.650 -5.996 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.415 -6.501 -7.079 1.00 0.00 H new ATOM 469 N LEU A 34 11.543 -2.986 -6.364 1.00 0.00 N ATOM 470 CA LEU A 34 10.525 -1.978 -6.621 1.00 0.00 C ATOM 471 C LEU A 34 10.935 -1.129 -7.812 1.00 0.00 C ATOM 472 O LEU A 34 10.792 0.097 -7.815 1.00 0.00 O ATOM 473 CB LEU A 34 10.273 -1.088 -5.384 1.00 0.00 C ATOM 474 CG LEU A 34 11.455 -0.236 -4.880 1.00 0.00 C ATOM 475 CD1 LEU A 34 10.979 0.730 -3.809 1.00 0.00 C ATOM 476 CD2 LEU A 34 12.572 -1.104 -4.318 1.00 0.00 C ATOM 0 H LEU A 34 12.499 -2.673 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 34 9.590 -2.491 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.445 -0.417 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.946 -1.730 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 34 11.849 0.319 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.820 1.328 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.215 1.387 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.559 0.169 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.388 -0.469 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.191 -1.692 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.938 -1.774 -5.096 1.00 0.00 H new ATOM 487 N SER A 35 11.398 -1.807 -8.847 1.00 0.00 N ATOM 488 CA SER A 35 11.781 -1.152 -10.079 1.00 0.00 C ATOM 489 C SER A 35 10.530 -0.782 -10.870 1.00 0.00 C ATOM 490 O SER A 35 10.478 0.336 -11.422 1.00 0.00 O ATOM 491 CB SER A 35 12.682 -2.080 -10.896 1.00 0.00 C ATOM 492 OG SER A 35 13.800 -2.512 -10.131 1.00 0.00 O ATOM 493 OXT SER A 35 9.585 -1.597 -10.902 1.00 0.00 O ATOM 0 H SER A 35 11.518 -2.820 -8.855 1.00 0.00 H new ATOM 0 HA SER A 35 12.334 -0.240 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.110 -2.945 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.028 -1.562 -11.790 1.00 0.00 H new ATOM 0 HG SER A 35 14.359 -3.105 -10.675 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.723 0.463 -1.958 1.00 0.00 ZN