USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=12 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 USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= -0.257 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.361 K(o=-0.62,f=0.63) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.01) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 173:sc=-0.00752 (180deg=-0.0678) USER MOD Single : A 15 SER OG : rot 97:sc= 1.44 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+ -118:sc= 0.474 (180deg=0.227) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -12:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.442 -9.952 7.760 1.00 0.00 N ATOM 2 CA GLY A 1 -12.794 -10.542 7.929 1.00 0.00 C ATOM 3 C GLY A 1 -13.401 -10.983 6.614 1.00 0.00 C ATOM 4 O GLY A 1 -13.989 -12.064 6.523 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.042 -9.728 8.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.825 -10.632 7.272 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.511 -9.081 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.733 -11.397 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.450 -9.811 8.401 1.00 0.00 H new ATOM 10 N SER A 2 -13.284 -10.132 5.602 1.00 0.00 N ATOM 11 CA SER A 2 -13.846 -10.405 4.287 1.00 0.00 C ATOM 12 C SER A 2 -13.338 -9.369 3.283 1.00 0.00 C ATOM 13 O SER A 2 -12.160 -9.003 3.321 1.00 0.00 O ATOM 14 CB SER A 2 -15.379 -10.399 4.366 1.00 0.00 C ATOM 15 OG SER A 2 -15.867 -9.169 4.885 1.00 0.00 O ATOM 0 H SER A 2 -12.799 -9.237 5.670 1.00 0.00 H new ATOM 0 HA SER A 2 -13.528 -11.391 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.797 -10.568 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.715 -11.221 4.998 1.00 0.00 H new ATOM 0 HG SER A 2 -16.846 -9.195 4.922 1.00 0.00 H new ATOM 20 N SER A 3 -14.226 -8.845 2.447 1.00 0.00 N ATOM 21 CA SER A 3 -13.854 -7.794 1.514 1.00 0.00 C ATOM 22 C SER A 3 -13.406 -6.554 2.285 1.00 0.00 C ATOM 23 O SER A 3 -14.064 -6.142 3.241 1.00 0.00 O ATOM 24 CB SER A 3 -15.037 -7.455 0.604 1.00 0.00 C ATOM 25 OG SER A 3 -15.478 -8.603 -0.106 1.00 0.00 O ATOM 0 H SER A 3 -15.204 -9.130 2.397 1.00 0.00 H new ATOM 0 HA SER A 3 -13.028 -8.143 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.857 -7.055 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.747 -6.676 -0.101 1.00 0.00 H new ATOM 0 HG SER A 3 -16.235 -8.362 -0.679 1.00 0.00 H new ATOM 30 N GLY A 4 -12.249 -6.022 1.920 1.00 0.00 N ATOM 31 CA GLY A 4 -11.684 -4.895 2.635 1.00 0.00 C ATOM 32 C GLY A 4 -12.390 -3.578 2.347 1.00 0.00 C ATOM 33 O GLY A 4 -13.616 -3.478 2.427 1.00 0.00 O ATOM 0 H GLY A 4 -11.687 -6.353 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.728 -5.095 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.631 -4.799 2.372 1.00 0.00 H new ATOM 37 N LYS A 5 -11.598 -2.553 2.062 1.00 0.00 N ATOM 38 CA LYS A 5 -12.103 -1.216 1.828 1.00 0.00 C ATOM 39 C LYS A 5 -10.979 -0.389 1.190 1.00 0.00 C ATOM 40 O LYS A 5 -9.909 -0.928 0.917 1.00 0.00 O ATOM 41 CB LYS A 5 -12.560 -0.614 3.161 1.00 0.00 C ATOM 42 CG LYS A 5 -13.347 0.679 3.048 1.00 0.00 C ATOM 43 CD LYS A 5 -13.673 1.224 4.426 1.00 0.00 C ATOM 44 CE LYS A 5 -14.342 2.589 4.354 1.00 0.00 C ATOM 45 NZ LYS A 5 -15.603 2.562 3.568 1.00 0.00 N ATOM 0 H LYS A 5 -10.584 -2.631 1.987 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.960 -1.225 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.172 -1.349 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.681 -0.433 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.771 1.414 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.268 0.504 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.328 0.526 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.757 1.299 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.554 2.940 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.653 3.305 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.081 3.482 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.386 2.369 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.226 1.816 3.937 1.00 0.00 H new ATOM 55 N ARG A 6 -11.273 0.838 0.793 1.00 0.00 N ATOM 56 CA ARG A 6 -10.337 1.635 -0.002 1.00 0.00 C ATOM 57 C ARG A 6 -9.153 2.261 0.779 1.00 0.00 C ATOM 58 O ARG A 6 -8.087 2.445 0.192 1.00 0.00 O ATOM 59 CB ARG A 6 -11.096 2.723 -0.765 1.00 0.00 C ATOM 60 CG ARG A 6 -10.213 3.544 -1.692 1.00 0.00 C ATOM 61 CD ARG A 6 -9.489 2.658 -2.698 1.00 0.00 C ATOM 62 NE ARG A 6 -10.413 1.921 -3.562 1.00 0.00 N ATOM 63 CZ ARG A 6 -10.020 1.039 -4.480 1.00 0.00 C ATOM 64 NH1 ARG A 6 -8.727 0.785 -4.639 1.00 0.00 N ATOM 65 NH2 ARG A 6 -10.909 0.419 -5.242 1.00 0.00 N ATOM 0 H ARG A 6 -12.152 1.309 1.006 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.874 0.924 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.890 2.259 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.576 3.390 -0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.821 4.277 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.483 4.101 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.833 3.274 -3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.854 1.951 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.413 2.092 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.038 1.264 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.422 0.110 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.903 0.615 -5.128 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.599 -0.255 -5.942 1.00 0.00 H new ATOM 76 N PRO A 7 -9.290 2.642 2.070 1.00 0.00 N ATOM 77 CA PRO A 7 -8.192 3.291 2.827 1.00 0.00 C ATOM 78 C PRO A 7 -7.051 2.335 3.175 1.00 0.00 C ATOM 79 O PRO A 7 -6.320 2.541 4.146 1.00 0.00 O ATOM 80 CB PRO A 7 -8.896 3.745 4.104 1.00 0.00 C ATOM 81 CG PRO A 7 -9.961 2.729 4.279 1.00 0.00 C ATOM 82 CD PRO A 7 -10.490 2.512 2.901 1.00 0.00 C ATOM 0 HA PRO A 7 -7.719 4.087 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.215 3.766 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.309 4.749 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.565 1.806 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.741 3.082 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.952 1.530 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.247 3.250 2.637 1.00 0.00 H new ATOM 87 N PHE A 8 -6.883 1.318 2.353 1.00 0.00 N ATOM 88 CA PHE A 8 -5.817 0.344 2.517 1.00 0.00 C ATOM 89 C PHE A 8 -4.626 0.740 1.660 1.00 0.00 C ATOM 90 O PHE A 8 -4.090 -0.068 0.901 1.00 0.00 O ATOM 91 CB PHE A 8 -6.319 -1.047 2.121 1.00 0.00 C ATOM 92 CG PHE A 8 -7.426 -1.592 2.988 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.175 -0.768 3.811 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.735 -2.936 2.944 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.206 -1.272 4.571 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.762 -3.452 3.703 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.501 -2.616 4.522 1.00 0.00 C ATOM 0 H PHE A 8 -7.484 1.141 1.548 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.507 0.319 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.669 -1.011 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.480 -1.742 2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.947 0.287 3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.163 -3.593 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.783 -0.614 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.990 -4.507 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.306 -3.016 5.120 1.00 0.00 H new ATOM 106 N VAL A 9 -4.295 2.020 1.696 1.00 0.00 N ATOM 107 CA VAL A 9 -3.256 2.557 0.841 1.00 0.00 C ATOM 108 C VAL A 9 -1.877 2.217 1.400 1.00 0.00 C ATOM 109 O VAL A 9 -1.668 2.200 2.619 1.00 0.00 O ATOM 110 CB VAL A 9 -3.382 4.089 0.669 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.002 4.817 1.944 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.543 4.572 -0.500 1.00 0.00 C ATOM 0 H VAL A 9 -4.733 2.706 2.311 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.378 2.096 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.426 4.316 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.100 5.892 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.662 4.503 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.970 4.580 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.648 5.652 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.496 4.324 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.882 4.087 -1.416 1.00 0.00 H new ATOM 122 N CYS A 10 -0.947 1.954 0.503 1.00 0.00 N ATOM 123 CA CYS A 10 0.409 1.635 0.875 1.00 0.00 C ATOM 124 C CYS A 10 1.075 2.811 1.576 1.00 0.00 C ATOM 125 O CYS A 10 0.939 3.962 1.162 1.00 0.00 O ATOM 126 CB CYS A 10 1.193 1.258 -0.366 1.00 0.00 C ATOM 127 SG CYS A 10 2.946 0.885 -0.078 1.00 0.00 S ATOM 0 H CYS A 10 -1.114 1.957 -0.503 1.00 0.00 H new ATOM 0 HA CYS A 10 0.393 0.795 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.722 0.389 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.124 2.075 -1.084 1.00 0.00 H new ATOM 131 N ARG A 11 1.789 2.500 2.640 1.00 0.00 N ATOM 132 CA ARG A 11 2.487 3.500 3.418 1.00 0.00 C ATOM 133 C ARG A 11 3.680 4.061 2.639 1.00 0.00 C ATOM 134 O ARG A 11 4.050 5.225 2.810 1.00 0.00 O ATOM 135 CB ARG A 11 2.943 2.899 4.754 1.00 0.00 C ATOM 136 CG ARG A 11 3.997 1.808 4.618 1.00 0.00 C ATOM 137 CD ARG A 11 4.280 1.115 5.942 1.00 0.00 C ATOM 138 NE ARG A 11 4.645 2.046 7.012 1.00 0.00 N ATOM 139 CZ ARG A 11 4.976 1.652 8.243 1.00 0.00 C ATOM 140 NH1 ARG A 11 5.201 0.368 8.486 1.00 0.00 N ATOM 141 NH2 ARG A 11 5.134 2.539 9.217 1.00 0.00 N ATOM 0 H ARG A 11 1.900 1.548 2.988 1.00 0.00 H new ATOM 0 HA ARG A 11 1.804 4.325 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.340 3.696 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.075 2.489 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.662 1.071 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.919 2.242 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.398 0.550 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.087 0.396 5.803 1.00 0.00 H new ATOM 0 HE ARG A 11 4.646 3.045 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.121 -0.315 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.454 0.064 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.002 3.533 9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.387 2.227 10.155 1.00 0.00 H new ATOM 152 N ILE A 12 4.344 3.199 1.863 1.00 0.00 N ATOM 153 CA ILE A 12 5.559 3.595 1.161 1.00 0.00 C ATOM 154 C ILE A 12 5.247 4.339 -0.132 1.00 0.00 C ATOM 155 O ILE A 12 5.640 5.497 -0.292 1.00 0.00 O ATOM 156 CB ILE A 12 6.465 2.392 0.841 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.786 1.602 2.113 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.751 2.873 0.181 1.00 0.00 C ATOM 159 CD1 ILE A 12 7.485 2.417 3.178 1.00 0.00 C ATOM 0 H ILE A 12 4.060 2.231 1.709 1.00 0.00 H new ATOM 0 HA ILE A 12 6.090 4.262 1.840 1.00 0.00 H new ATOM 0 HB ILE A 12 5.936 1.732 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.859 1.202 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.413 0.749 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.387 2.017 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.511 3.398 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.276 3.549 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.679 1.789 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.429 2.795 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.852 3.255 3.469 1.00 0.00 H new ATOM 170 N CYS A 13 4.452 3.727 -1.008 1.00 0.00 N ATOM 171 CA CYS A 13 4.012 4.421 -2.202 1.00 0.00 C ATOM 172 C CYS A 13 2.640 5.044 -1.944 1.00 0.00 C ATOM 173 O CYS A 13 2.457 5.730 -0.942 1.00 0.00 O ATOM 174 CB CYS A 13 4.055 3.522 -3.467 1.00 0.00 C ATOM 175 SG CYS A 13 2.951 2.060 -3.515 1.00 0.00 S ATOM 0 H CYS A 13 4.109 2.771 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 13 4.713 5.226 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.822 4.146 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.079 3.172 -3.595 1.00 0.00 H new ATOM 179 N LEU A 14 1.671 4.731 -2.784 1.00 0.00 N ATOM 180 CA LEU A 14 0.292 5.178 -2.598 1.00 0.00 C ATOM 181 C LEU A 14 -0.649 4.289 -3.385 1.00 0.00 C ATOM 182 O LEU A 14 -1.728 4.712 -3.808 1.00 0.00 O ATOM 183 CB LEU A 14 0.093 6.641 -3.034 1.00 0.00 C ATOM 184 CG LEU A 14 0.649 7.703 -2.087 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.476 9.091 -2.687 1.00 0.00 C ATOM 186 CD2 LEU A 14 -0.055 7.622 -0.739 1.00 0.00 C ATOM 0 H LEU A 14 1.812 4.159 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 14 0.071 5.112 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.558 6.775 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.975 6.819 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 14 1.713 7.518 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.877 9.837 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.010 9.147 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.583 9.285 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.349 8.383 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.123 7.789 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.105 6.636 -0.304 1.00 0.00 H new ATOM 197 N SER A 15 -0.292 3.021 -3.468 1.00 0.00 N ATOM 198 CA SER A 15 -1.161 2.040 -4.075 1.00 0.00 C ATOM 199 C SER A 15 -2.234 1.619 -3.074 1.00 0.00 C ATOM 200 O SER A 15 -1.923 1.088 -2.006 1.00 0.00 O ATOM 201 CB SER A 15 -0.334 0.835 -4.525 1.00 0.00 C ATOM 202 OG SER A 15 0.718 1.234 -5.395 1.00 0.00 O ATOM 0 H SER A 15 0.593 2.650 -3.122 1.00 0.00 H new ATOM 0 HA SER A 15 -1.652 2.470 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.082 0.329 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.978 0.117 -5.033 1.00 0.00 H new ATOM 0 HG SER A 15 1.546 1.338 -4.881 1.00 0.00 H new ATOM 207 N ALA A 16 -3.490 1.831 -3.426 1.00 0.00 N ATOM 208 CA ALA A 16 -4.595 1.434 -2.565 1.00 0.00 C ATOM 209 C ALA A 16 -5.090 0.050 -2.960 1.00 0.00 C ATOM 210 O ALA A 16 -5.387 -0.192 -4.132 1.00 0.00 O ATOM 211 CB ALA A 16 -5.722 2.450 -2.641 1.00 0.00 C ATOM 0 H ALA A 16 -3.772 2.275 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.242 1.397 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.539 2.136 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.356 3.425 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.081 2.519 -3.668 1.00 0.00 H new ATOM 217 N PHE A 17 -5.182 -0.856 -1.998 1.00 0.00 N ATOM 218 CA PHE A 17 -5.643 -2.208 -2.281 1.00 0.00 C ATOM 219 C PHE A 17 -6.991 -2.468 -1.637 1.00 0.00 C ATOM 220 O PHE A 17 -7.308 -1.902 -0.597 1.00 0.00 O ATOM 221 CB PHE A 17 -4.630 -3.272 -1.830 1.00 0.00 C ATOM 222 CG PHE A 17 -3.289 -3.169 -2.503 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.472 -2.067 -2.303 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.856 -4.171 -3.354 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.251 -1.971 -2.937 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.634 -4.080 -3.990 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.832 -2.978 -3.782 1.00 0.00 C ATOM 0 H PHE A 17 -4.946 -0.682 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.746 -2.285 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.490 -3.191 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.047 -4.260 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.795 -1.275 -1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.482 -5.035 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.623 -1.108 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.307 -4.871 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.123 -2.903 -4.280 1.00 0.00 H new ATOM 236 N THR A 18 -7.787 -3.309 -2.283 1.00 0.00 N ATOM 237 CA THR A 18 -9.119 -3.636 -1.795 1.00 0.00 C ATOM 238 C THR A 18 -9.070 -4.312 -0.431 1.00 0.00 C ATOM 239 O THR A 18 -9.839 -3.972 0.464 1.00 0.00 O ATOM 240 CB THR A 18 -9.865 -4.550 -2.782 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.060 -5.697 -3.107 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.231 -3.795 -4.049 1.00 0.00 C ATOM 0 H THR A 18 -7.531 -3.779 -3.151 1.00 0.00 H new ATOM 0 HA THR A 18 -9.655 -2.692 -1.701 1.00 0.00 H new ATOM 0 HB THR A 18 -10.785 -4.886 -2.304 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.547 -6.271 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.758 -4.463 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.875 -2.952 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.324 -3.428 -4.529 1.00 0.00 H new ATOM 250 N THR A 19 -8.187 -5.288 -0.287 1.00 0.00 N ATOM 251 CA THR A 19 -8.065 -6.031 0.954 1.00 0.00 C ATOM 252 C THR A 19 -6.689 -5.840 1.569 1.00 0.00 C ATOM 253 O THR A 19 -5.686 -5.738 0.856 1.00 0.00 O ATOM 254 CB THR A 19 -8.325 -7.543 0.759 1.00 0.00 C ATOM 255 OG1 THR A 19 -7.368 -8.109 -0.143 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.722 -7.789 0.225 1.00 0.00 C ATOM 0 H THR A 19 -7.542 -5.584 -1.020 1.00 0.00 H new ATOM 0 HA THR A 19 -8.827 -5.635 1.626 1.00 0.00 H new ATOM 0 HB THR A 19 -8.228 -8.021 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.548 -9.066 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.879 -8.860 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.455 -7.396 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.838 -7.288 -0.736 1.00 0.00 H new ATOM 264 N LYS A 20 -6.646 -5.886 2.896 1.00 0.00 N ATOM 265 CA LYS A 20 -5.392 -5.826 3.638 1.00 0.00 C ATOM 266 C LYS A 20 -4.446 -6.889 3.147 1.00 0.00 C ATOM 267 O LYS A 20 -3.231 -6.702 3.119 1.00 0.00 O ATOM 268 CB LYS A 20 -5.650 -6.032 5.127 1.00 0.00 C ATOM 269 CG LYS A 20 -6.399 -4.885 5.748 1.00 0.00 C ATOM 270 CD LYS A 20 -6.714 -5.128 7.215 1.00 0.00 C ATOM 271 CE LYS A 20 -7.498 -3.968 7.811 1.00 0.00 C ATOM 272 NZ LYS A 20 -7.866 -4.216 9.228 1.00 0.00 N ATOM 0 H LYS A 20 -7.475 -5.966 3.485 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.946 -4.844 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.217 -6.952 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.698 -6.161 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.809 -3.974 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.328 -4.722 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.288 -6.049 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.786 -5.266 7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.904 -3.057 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.402 -3.802 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.399 -3.402 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.455 -5.071 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.003 -4.349 9.793 1.00 0.00 H new ATOM 282 N ALA A 21 -5.027 -8.021 2.805 1.00 0.00 N ATOM 283 CA ALA A 21 -4.270 -9.159 2.363 1.00 0.00 C ATOM 284 C ALA A 21 -3.413 -8.822 1.138 1.00 0.00 C ATOM 285 O ALA A 21 -2.243 -9.211 1.064 1.00 0.00 O ATOM 286 CB ALA A 21 -5.207 -10.316 2.063 1.00 0.00 C ATOM 0 H ALA A 21 -6.036 -8.171 2.828 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.590 -9.450 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.627 -11.176 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.760 -10.580 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.907 -10.024 1.281 1.00 0.00 H new ATOM 292 N ASN A 22 -3.982 -8.060 0.202 1.00 0.00 N ATOM 293 CA ASN A 22 -3.233 -7.641 -0.985 1.00 0.00 C ATOM 294 C ASN A 22 -2.123 -6.667 -0.616 1.00 0.00 C ATOM 295 O ASN A 22 -1.015 -6.753 -1.138 1.00 0.00 O ATOM 296 CB ASN A 22 -4.130 -6.998 -2.050 1.00 0.00 C ATOM 297 CG ASN A 22 -5.135 -7.957 -2.651 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.778 -9.034 -3.119 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.390 -7.544 -2.697 1.00 0.00 N ATOM 0 H ASN A 22 -4.944 -7.724 0.240 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.802 -8.549 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.663 -6.157 -1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.504 -6.594 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.103 -8.128 -3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.645 -6.641 -2.296 1.00 0.00 H new ATOM 305 N CYS A 23 -2.433 -5.728 0.266 1.00 0.00 N ATOM 306 CA CYS A 23 -1.465 -4.719 0.682 1.00 0.00 C ATOM 307 C CYS A 23 -0.262 -5.377 1.368 1.00 0.00 C ATOM 308 O CYS A 23 0.884 -4.968 1.167 1.00 0.00 O ATOM 309 CB CYS A 23 -2.135 -3.705 1.618 1.00 0.00 C ATOM 310 SG CYS A 23 -1.081 -2.316 2.098 1.00 0.00 S ATOM 0 H CYS A 23 -3.348 -5.642 0.709 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.104 -4.193 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.029 -3.315 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.464 -4.223 2.519 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.743 -1.521 2.885 1.00 0.00 H new ATOM 315 N ALA A 24 -0.537 -6.390 2.187 1.00 0.00 N ATOM 316 CA ALA A 24 0.508 -7.098 2.921 1.00 0.00 C ATOM 317 C ALA A 24 1.527 -7.747 1.986 1.00 0.00 C ATOM 318 O ALA A 24 2.732 -7.619 2.197 1.00 0.00 O ATOM 319 CB ALA A 24 -0.112 -8.145 3.832 1.00 0.00 C ATOM 0 H ALA A 24 -1.480 -6.740 2.359 1.00 0.00 H new ATOM 0 HA ALA A 24 1.042 -6.363 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.676 -8.667 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.781 -7.659 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.676 -8.860 3.233 1.00 0.00 H new ATOM 325 N ARG A 25 1.045 -8.445 0.958 1.00 0.00 N ATOM 326 CA ARG A 25 1.935 -9.109 0.005 1.00 0.00 C ATOM 327 C ARG A 25 2.711 -8.069 -0.808 1.00 0.00 C ATOM 328 O ARG A 25 3.869 -8.278 -1.162 1.00 0.00 O ATOM 329 CB ARG A 25 1.164 -10.062 -0.926 1.00 0.00 C ATOM 330 CG ARG A 25 0.195 -9.377 -1.874 1.00 0.00 C ATOM 331 CD ARG A 25 -0.544 -10.376 -2.749 1.00 0.00 C ATOM 332 NE ARG A 25 -1.396 -9.707 -3.730 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.161 -10.340 -4.618 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.237 -11.666 -4.624 1.00 0.00 N ATOM 335 NH2 ARG A 25 -2.860 -9.640 -5.502 1.00 0.00 N ATOM 0 H ARG A 25 0.051 -8.565 0.764 1.00 0.00 H new ATOM 0 HA ARG A 25 2.642 -9.712 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.882 -10.634 -1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.611 -10.776 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.526 -8.796 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.740 -8.675 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.176 -11.011 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.153 -11.028 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.406 -8.687 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.706 -12.210 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.826 -12.140 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.810 -8.621 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.447 -10.121 -6.184 1.00 0.00 H new ATOM 346 N HIS A 26 2.058 -6.947 -1.074 1.00 0.00 N ATOM 347 CA HIS A 26 2.654 -5.840 -1.816 1.00 0.00 C ATOM 348 C HIS A 26 3.920 -5.307 -1.140 1.00 0.00 C ATOM 349 O HIS A 26 4.838 -4.846 -1.814 1.00 0.00 O ATOM 350 CB HIS A 26 1.628 -4.705 -1.913 1.00 0.00 C ATOM 351 CG HIS A 26 2.187 -3.411 -2.419 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.551 -3.167 -3.723 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.521 -2.300 -1.723 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.086 -1.933 -3.770 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.083 -1.374 -2.576 1.00 0.00 N ATOM 0 H HIS A 26 1.096 -6.776 -0.781 1.00 0.00 H new ATOM 0 HA HIS A 26 2.933 -6.208 -2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.817 -5.019 -2.570 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.193 -4.539 -0.927 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.436 -3.805 -4.511 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.371 -2.160 -0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.467 -1.464 -4.665 1.00 0.00 H new ATOM 362 N LEU A 27 3.826 -5.131 0.167 1.00 0.00 N ATOM 363 CA LEU A 27 4.808 -4.358 0.926 1.00 0.00 C ATOM 364 C LEU A 27 6.263 -4.746 0.620 1.00 0.00 C ATOM 365 O LEU A 27 7.142 -3.882 0.608 1.00 0.00 O ATOM 366 CB LEU A 27 4.521 -4.501 2.421 1.00 0.00 C ATOM 367 CG LEU A 27 5.374 -3.625 3.335 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.184 -2.154 2.986 1.00 0.00 C ATOM 369 CD2 LEU A 27 5.016 -3.883 4.790 1.00 0.00 C ATOM 0 H LEU A 27 3.071 -5.516 0.735 1.00 0.00 H new ATOM 0 HA LEU A 27 4.704 -3.318 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.471 -4.267 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.667 -5.543 2.704 1.00 0.00 H new ATOM 0 HG LEU A 27 6.424 -3.878 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.798 -1.541 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.482 -1.984 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.136 -1.883 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.630 -3.253 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.964 -3.650 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.197 -4.931 5.029 1.00 0.00 H new ATOM 380 N LYS A 28 6.528 -6.039 0.468 1.00 0.00 N ATOM 381 CA LYS A 28 7.896 -6.531 0.285 1.00 0.00 C ATOM 382 C LYS A 28 8.614 -5.886 -0.911 1.00 0.00 C ATOM 383 O LYS A 28 9.843 -5.837 -0.931 1.00 0.00 O ATOM 384 CB LYS A 28 7.933 -8.059 0.166 1.00 0.00 C ATOM 385 CG LYS A 28 7.195 -8.625 -1.031 1.00 0.00 C ATOM 386 CD LYS A 28 7.311 -10.140 -1.070 1.00 0.00 C ATOM 387 CE LYS A 28 6.594 -10.733 -2.271 1.00 0.00 C ATOM 388 NZ LYS A 28 5.148 -10.401 -2.266 1.00 0.00 N ATOM 0 H LYS A 28 5.815 -6.769 0.467 1.00 0.00 H new ATOM 0 HA LYS A 28 8.439 -6.235 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.974 -8.380 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.509 -8.490 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.145 -8.337 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.602 -8.201 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.363 -10.423 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.894 -10.560 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.050 -10.359 -3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.719 -11.816 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.591 -11.277 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.934 -9.796 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.904 -9.897 -3.143 1.00 0.00 H new ATOM 398 N VAL A 29 7.868 -5.436 -1.923 1.00 0.00 N ATOM 399 CA VAL A 29 8.486 -4.850 -3.118 1.00 0.00 C ATOM 400 C VAL A 29 9.427 -3.699 -2.752 1.00 0.00 C ATOM 401 O VAL A 29 10.463 -3.506 -3.390 1.00 0.00 O ATOM 402 CB VAL A 29 7.444 -4.344 -4.149 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.530 -5.472 -4.597 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.626 -3.183 -3.602 1.00 0.00 C ATOM 0 H VAL A 29 6.849 -5.465 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 29 9.055 -5.657 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 29 7.998 -3.981 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.809 -5.091 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.124 -6.260 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.000 -5.876 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.908 -2.858 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.093 -3.503 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.290 -2.355 -3.353 1.00 0.00 H new ATOM 414 N HIS A 30 9.044 -2.917 -1.750 1.00 0.00 N ATOM 415 CA HIS A 30 9.826 -1.755 -1.326 1.00 0.00 C ATOM 416 C HIS A 30 11.029 -2.160 -0.468 1.00 0.00 C ATOM 417 O HIS A 30 11.379 -1.465 0.490 1.00 0.00 O ATOM 418 CB HIS A 30 8.944 -0.789 -0.533 1.00 0.00 C ATOM 419 CG HIS A 30 7.760 -0.257 -1.285 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.839 0.551 -2.401 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.439 -0.402 -1.024 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.582 0.869 -2.766 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.705 0.312 -1.958 1.00 0.00 N ATOM 0 H HIS A 30 8.191 -3.066 -1.211 1.00 0.00 H new ATOM 0 HA HIS A 30 10.198 -1.267 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.589 -1.296 0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.555 0.051 -0.203 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.695 0.853 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.023 -0.983 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.328 1.496 -3.608 1.00 0.00 H new ATOM 430 N THR A 31 11.693 -3.240 -0.857 1.00 0.00 N ATOM 431 CA THR A 31 12.899 -3.694 -0.178 1.00 0.00 C ATOM 432 C THR A 31 13.465 -4.932 -0.879 1.00 0.00 C ATOM 433 O THR A 31 14.671 -5.027 -1.101 1.00 0.00 O ATOM 434 CB THR A 31 12.661 -3.979 1.332 1.00 0.00 C ATOM 435 OG1 THR A 31 13.895 -4.331 1.966 1.00 0.00 O ATOM 436 CG2 THR A 31 11.642 -5.089 1.558 1.00 0.00 C ATOM 0 H THR A 31 11.414 -3.822 -1.646 1.00 0.00 H new ATOM 0 HA THR A 31 13.627 -2.884 -0.234 1.00 0.00 H new ATOM 0 HB THR A 31 12.261 -3.065 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.736 -4.507 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.511 -5.250 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.688 -4.803 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.997 -6.009 1.093 1.00 0.00 H new ATOM 444 N ASP A 32 12.578 -5.836 -1.294 1.00 0.00 N ATOM 445 CA ASP A 32 12.972 -7.021 -2.056 1.00 0.00 C ATOM 446 C ASP A 32 13.365 -6.618 -3.484 1.00 0.00 C ATOM 447 O ASP A 32 14.466 -6.117 -3.715 1.00 0.00 O ATOM 448 CB ASP A 32 11.830 -8.054 -2.063 1.00 0.00 C ATOM 449 CG ASP A 32 12.195 -9.348 -2.774 1.00 0.00 C ATOM 450 OD1 ASP A 32 13.371 -9.522 -3.147 1.00 0.00 O ATOM 451 OD2 ASP A 32 11.305 -10.211 -2.936 1.00 0.00 O ATOM 0 H ASP A 32 11.576 -5.769 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 32 13.838 -7.482 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.547 -8.280 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.956 -7.616 -2.545 1.00 0.00 H new ATOM 455 N THR A 33 12.453 -6.806 -4.430 1.00 0.00 N ATOM 456 CA THR A 33 12.695 -6.436 -5.811 1.00 0.00 C ATOM 457 C THR A 33 11.366 -6.324 -6.558 1.00 0.00 C ATOM 458 O THR A 33 10.446 -7.121 -6.342 1.00 0.00 O ATOM 459 CB THR A 33 13.626 -7.447 -6.521 1.00 0.00 C ATOM 460 OG1 THR A 33 13.885 -7.021 -7.860 1.00 0.00 O ATOM 461 CG2 THR A 33 13.024 -8.845 -6.543 1.00 0.00 C ATOM 0 H THR A 33 11.534 -7.216 -4.260 1.00 0.00 H new ATOM 0 HA THR A 33 13.198 -5.469 -5.816 1.00 0.00 H new ATOM 0 HB THR A 33 14.559 -7.485 -5.958 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.476 -7.667 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.707 -9.527 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.861 -9.187 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.072 -8.823 -7.074 1.00 0.00 H new ATOM 469 N LEU A 34 11.235 -5.281 -7.366 1.00 0.00 N ATOM 470 CA LEU A 34 9.989 -5.012 -8.072 1.00 0.00 C ATOM 471 C LEU A 34 9.859 -5.904 -9.298 1.00 0.00 C ATOM 472 O LEU A 34 8.778 -6.419 -9.591 1.00 0.00 O ATOM 473 CB LEU A 34 9.876 -3.536 -8.481 1.00 0.00 C ATOM 474 CG LEU A 34 9.767 -2.521 -7.333 1.00 0.00 C ATOM 475 CD1 LEU A 34 11.061 -2.422 -6.540 1.00 0.00 C ATOM 476 CD2 LEU A 34 9.372 -1.159 -7.870 1.00 0.00 C ATOM 0 H LEU A 34 11.977 -4.606 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 34 9.174 -5.235 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.747 -3.280 -9.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.001 -3.424 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 34 8.992 -2.876 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.941 -1.694 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.302 -3.396 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.869 -2.106 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.299 -0.450 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.125 -0.815 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.408 -1.232 -8.373 1.00 0.00 H new ATOM 487 N SER A 35 10.963 -6.074 -10.013 1.00 0.00 N ATOM 488 CA SER A 35 10.995 -6.891 -11.221 1.00 0.00 C ATOM 489 C SER A 35 12.427 -7.304 -11.527 1.00 0.00 C ATOM 490 O SER A 35 13.344 -6.804 -10.843 1.00 0.00 O ATOM 491 CB SER A 35 10.421 -6.117 -12.413 1.00 0.00 C ATOM 492 OG SER A 35 9.078 -5.722 -12.181 1.00 0.00 O ATOM 493 OXT SER A 35 12.633 -8.127 -12.444 1.00 0.00 O ATOM 0 H SER A 35 11.860 -5.651 -9.774 1.00 0.00 H new ATOM 0 HA SER A 35 10.386 -7.779 -11.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.033 -5.235 -12.604 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.469 -6.738 -13.308 1.00 0.00 H new ATOM 0 HG SER A 35 8.729 -6.194 -11.396 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.759 0.393 -2.097 1.00 0.00 ZN