USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 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= 0.143 USER MOD Set 1.3: A 22 ASN : amide:sc= -0.316 K(o=-0.17,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 110:sc= -0.758 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= -0.0307 (180deg=-0.0585) USER MOD Single : A 15 SER OG : rot 88:sc= 1.37 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 -41:sc= 0.678 USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.0137 USER MOD Single : A 35 SER OG : rot 45:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.919 -11.764 7.754 1.00 0.00 N ATOM 2 CA GLY A 1 -9.393 -11.714 7.599 1.00 0.00 C ATOM 3 C GLY A 1 -9.880 -10.362 7.118 1.00 0.00 C ATOM 4 O GLY A 1 -10.807 -9.790 7.690 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.637 -12.709 8.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.467 -11.568 6.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.619 -11.050 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.707 -12.482 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.864 -11.948 8.554 1.00 0.00 H new ATOM 10 N SER A 2 -9.242 -9.833 6.079 1.00 0.00 N ATOM 11 CA SER A 2 -9.606 -8.528 5.547 1.00 0.00 C ATOM 12 C SER A 2 -10.997 -8.551 4.911 1.00 0.00 C ATOM 13 O SER A 2 -11.263 -9.335 4.004 1.00 0.00 O ATOM 14 CB SER A 2 -8.580 -8.084 4.505 1.00 0.00 C ATOM 15 OG SER A 2 -7.278 -8.014 5.054 1.00 0.00 O ATOM 0 H SER A 2 -8.471 -10.289 5.590 1.00 0.00 H new ATOM 0 HA SER A 2 -9.620 -7.823 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.586 -8.782 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.862 -7.108 4.109 1.00 0.00 H new ATOM 0 HG SER A 2 -6.728 -8.735 4.684 1.00 0.00 H new ATOM 20 N SER A 3 -11.848 -7.630 5.342 1.00 0.00 N ATOM 21 CA SER A 3 -13.178 -7.474 4.764 1.00 0.00 C ATOM 22 C SER A 3 -13.092 -6.855 3.371 1.00 0.00 C ATOM 23 O SER A 3 -14.029 -6.936 2.572 1.00 0.00 O ATOM 24 CB SER A 3 -14.047 -6.608 5.673 1.00 0.00 C ATOM 25 OG SER A 3 -14.117 -7.159 6.978 1.00 0.00 O ATOM 0 H SER A 3 -11.640 -6.975 6.095 1.00 0.00 H new ATOM 0 HA SER A 3 -13.633 -8.460 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.638 -5.599 5.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.050 -6.526 5.254 1.00 0.00 H new ATOM 0 HG SER A 3 -14.677 -6.588 7.545 1.00 0.00 H new ATOM 30 N GLY A 4 -12.002 -6.139 3.145 1.00 0.00 N ATOM 31 CA GLY A 4 -11.833 -5.384 1.921 1.00 0.00 C ATOM 32 C GLY A 4 -12.518 -4.030 1.977 1.00 0.00 C ATOM 33 O GLY A 4 -13.692 -3.927 2.335 1.00 0.00 O ATOM 0 H GLY A 4 -11.221 -6.067 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.770 -5.242 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.235 -5.957 1.085 1.00 0.00 H new ATOM 37 N LYS A 5 -11.755 -2.993 1.666 1.00 0.00 N ATOM 38 CA LYS A 5 -12.215 -1.622 1.715 1.00 0.00 C ATOM 39 C LYS A 5 -11.131 -0.758 1.057 1.00 0.00 C ATOM 40 O LYS A 5 -9.978 -1.174 0.994 1.00 0.00 O ATOM 41 CB LYS A 5 -12.445 -1.218 3.172 1.00 0.00 C ATOM 42 CG LYS A 5 -13.374 -0.033 3.363 1.00 0.00 C ATOM 43 CD LYS A 5 -13.501 0.300 4.833 1.00 0.00 C ATOM 44 CE LYS A 5 -14.527 1.396 5.087 1.00 0.00 C ATOM 45 NZ LYS A 5 -14.182 2.668 4.400 1.00 0.00 N ATOM 0 H LYS A 5 -10.784 -3.087 1.368 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.159 -1.492 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.853 -2.073 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.482 -0.984 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.991 0.830 2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.356 -0.261 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.785 -0.597 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.531 0.616 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.506 1.058 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.605 1.575 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.873 3.401 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.231 2.972 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.200 2.523 3.370 1.00 0.00 H new ATOM 55 N ARG A 6 -11.525 0.297 0.363 1.00 0.00 N ATOM 56 CA ARG A 6 -10.593 1.011 -0.521 1.00 0.00 C ATOM 57 C ARG A 6 -9.536 1.913 0.152 1.00 0.00 C ATOM 58 O ARG A 6 -8.508 2.179 -0.475 1.00 0.00 O ATOM 59 CB ARG A 6 -11.350 1.816 -1.572 1.00 0.00 C ATOM 60 CG ARG A 6 -12.079 0.951 -2.587 1.00 0.00 C ATOM 61 CD ARG A 6 -11.142 -0.070 -3.232 1.00 0.00 C ATOM 62 NE ARG A 6 -9.902 0.529 -3.749 1.00 0.00 N ATOM 63 CZ ARG A 6 -9.838 1.456 -4.712 1.00 0.00 C ATOM 64 NH1 ARG A 6 -10.935 1.877 -5.326 1.00 0.00 N ATOM 65 NH2 ARG A 6 -8.658 1.946 -5.072 1.00 0.00 N ATOM 0 H ARG A 6 -12.470 0.681 0.387 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.017 0.202 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.071 2.463 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.649 2.465 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.903 0.431 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.515 1.584 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.890 -0.836 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.665 -0.569 -4.048 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.022 0.213 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.844 1.494 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.870 2.584 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.808 1.616 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.601 2.653 -5.805 1.00 0.00 H new ATOM 76 N PRO A 7 -9.729 2.445 1.382 1.00 0.00 N ATOM 77 CA PRO A 7 -8.734 3.341 2.011 1.00 0.00 C ATOM 78 C PRO A 7 -7.420 2.644 2.376 1.00 0.00 C ATOM 79 O PRO A 7 -6.556 3.231 3.031 1.00 0.00 O ATOM 80 CB PRO A 7 -9.444 3.795 3.284 1.00 0.00 C ATOM 81 CG PRO A 7 -10.364 2.671 3.587 1.00 0.00 C ATOM 82 CD PRO A 7 -10.897 2.268 2.253 1.00 0.00 C ATOM 0 HA PRO A 7 -8.441 4.142 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.739 3.967 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.987 4.728 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.841 1.847 4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.164 2.981 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.253 1.238 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.734 2.894 1.943 1.00 0.00 H new ATOM 87 N PHE A 8 -7.283 1.394 1.957 1.00 0.00 N ATOM 88 CA PHE A 8 -6.093 0.596 2.232 1.00 0.00 C ATOM 89 C PHE A 8 -4.960 0.959 1.281 1.00 0.00 C ATOM 90 O PHE A 8 -4.397 0.092 0.608 1.00 0.00 O ATOM 91 CB PHE A 8 -6.406 -0.892 2.104 1.00 0.00 C ATOM 92 CG PHE A 8 -7.409 -1.427 3.090 1.00 0.00 C ATOM 93 CD1 PHE A 8 -8.304 -0.592 3.738 1.00 0.00 C ATOM 94 CD2 PHE A 8 -7.470 -2.783 3.337 1.00 0.00 C ATOM 95 CE1 PHE A 8 -9.238 -1.103 4.613 1.00 0.00 C ATOM 96 CE2 PHE A 8 -8.398 -3.304 4.209 1.00 0.00 C ATOM 97 CZ PHE A 8 -9.285 -2.462 4.852 1.00 0.00 C ATOM 0 H PHE A 8 -7.994 0.902 1.416 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.778 0.812 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.775 -1.083 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.478 -1.452 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.270 0.472 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.779 -3.446 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.932 -0.442 5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.433 -4.368 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.013 -2.866 5.540 1.00 0.00 H new ATOM 106 N VAL A 9 -4.640 2.237 1.215 1.00 0.00 N ATOM 107 CA VAL A 9 -3.581 2.707 0.344 1.00 0.00 C ATOM 108 C VAL A 9 -2.231 2.398 0.977 1.00 0.00 C ATOM 109 O VAL A 9 -2.089 2.441 2.204 1.00 0.00 O ATOM 110 CB VAL A 9 -3.690 4.223 0.072 1.00 0.00 C ATOM 111 CG1 VAL A 9 -3.387 5.021 1.327 1.00 0.00 C ATOM 112 CG2 VAL A 9 -2.779 4.642 -1.068 1.00 0.00 C ATOM 0 H VAL A 9 -5.100 2.970 1.756 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.678 2.190 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.717 4.435 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.470 6.086 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.098 4.753 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.375 4.798 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.877 5.714 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.746 4.408 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.060 4.105 -1.974 1.00 0.00 H new ATOM 122 N CYS A 10 -1.270 2.016 0.154 1.00 0.00 N ATOM 123 CA CYS A 10 0.037 1.630 0.636 1.00 0.00 C ATOM 124 C CYS A 10 0.676 2.747 1.445 1.00 0.00 C ATOM 125 O CYS A 10 0.681 3.914 1.045 1.00 0.00 O ATOM 126 CB CYS A 10 0.941 1.252 -0.531 1.00 0.00 C ATOM 127 SG CYS A 10 2.653 0.857 -0.057 1.00 0.00 S ATOM 0 H CYS A 10 -1.376 1.966 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.089 0.765 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.511 0.392 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.955 2.075 -1.245 1.00 0.00 H new ATOM 131 N ARG A 11 1.192 2.368 2.594 1.00 0.00 N ATOM 132 CA ARG A 11 1.826 3.296 3.502 1.00 0.00 C ATOM 133 C ARG A 11 3.129 3.835 2.911 1.00 0.00 C ATOM 134 O ARG A 11 3.505 4.978 3.161 1.00 0.00 O ATOM 135 CB ARG A 11 2.086 2.617 4.854 1.00 0.00 C ATOM 136 CG ARG A 11 3.025 1.422 4.780 1.00 0.00 C ATOM 137 CD ARG A 11 3.234 0.790 6.147 1.00 0.00 C ATOM 138 NE ARG A 11 2.012 0.176 6.675 1.00 0.00 N ATOM 139 CZ ARG A 11 1.435 -0.919 6.165 1.00 0.00 C ATOM 140 NH1 ARG A 11 2.022 -1.593 5.181 1.00 0.00 N ATOM 141 NH2 ARG A 11 0.289 -1.358 6.670 1.00 0.00 N ATOM 0 H ARG A 11 1.183 1.403 2.925 1.00 0.00 H new ATOM 0 HA ARG A 11 1.154 4.140 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.504 3.351 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.134 2.292 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.617 0.680 4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.986 1.738 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.016 0.034 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.586 1.550 6.845 1.00 0.00 H new ATOM 0 HE ARG A 11 1.572 0.612 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.918 -1.277 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.577 -2.427 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.150 -0.861 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.153 -2.192 6.283 1.00 0.00 H new ATOM 152 N ILE A 12 3.862 2.973 2.211 1.00 0.00 N ATOM 153 CA ILE A 12 5.174 3.345 1.701 1.00 0.00 C ATOM 154 C ILE A 12 5.065 4.135 0.399 1.00 0.00 C ATOM 155 O ILE A 12 5.532 5.273 0.322 1.00 0.00 O ATOM 156 CB ILE A 12 6.074 2.113 1.481 1.00 0.00 C ATOM 157 CG1 ILE A 12 6.154 1.261 2.754 1.00 0.00 C ATOM 158 CG2 ILE A 12 7.466 2.558 1.058 1.00 0.00 C ATOM 159 CD1 ILE A 12 6.706 1.998 3.953 1.00 0.00 C ATOM 0 H ILE A 12 3.571 2.021 1.987 1.00 0.00 H new ATOM 0 HA ILE A 12 5.632 3.978 2.461 1.00 0.00 H new ATOM 0 HB ILE A 12 5.638 1.503 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.157 0.891 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.778 0.389 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.097 1.682 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.400 3.125 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.900 3.185 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.731 1.328 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.716 2.344 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.070 2.854 4.178 1.00 0.00 H new ATOM 170 N CYS A 13 4.328 3.604 -0.578 1.00 0.00 N ATOM 171 CA CYS A 13 4.060 4.375 -1.777 1.00 0.00 C ATOM 172 C CYS A 13 2.661 4.982 -1.689 1.00 0.00 C ATOM 173 O CYS A 13 2.348 5.657 -0.713 1.00 0.00 O ATOM 174 CB CYS A 13 4.303 3.577 -3.088 1.00 0.00 C ATOM 175 SG CYS A 13 3.219 2.141 -3.431 1.00 0.00 S ATOM 0 H CYS A 13 3.919 2.670 -0.560 1.00 0.00 H new ATOM 0 HA CYS A 13 4.783 5.189 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.213 4.271 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.334 3.223 -3.078 1.00 0.00 H new ATOM 179 N LEU A 14 1.821 4.709 -2.672 1.00 0.00 N ATOM 180 CA LEU A 14 0.438 5.193 -2.678 1.00 0.00 C ATOM 181 C LEU A 14 -0.437 4.326 -3.569 1.00 0.00 C ATOM 182 O LEU A 14 -1.389 4.810 -4.179 1.00 0.00 O ATOM 183 CB LEU A 14 0.345 6.651 -3.155 1.00 0.00 C ATOM 184 CG LEU A 14 0.843 7.710 -2.174 1.00 0.00 C ATOM 185 CD1 LEU A 14 0.772 9.088 -2.805 1.00 0.00 C ATOM 186 CD2 LEU A 14 0.012 7.679 -0.899 1.00 0.00 C ATOM 0 H LEU A 14 2.070 4.149 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 14 0.083 5.138 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.913 6.746 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.696 6.868 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 14 1.881 7.490 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.130 9.833 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.395 9.111 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.260 9.312 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.377 8.439 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.032 7.880 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.095 6.696 -0.435 1.00 0.00 H new ATOM 197 N SER A 15 -0.188 3.029 -3.549 1.00 0.00 N ATOM 198 CA SER A 15 -1.040 2.093 -4.260 1.00 0.00 C ATOM 199 C SER A 15 -2.162 1.624 -3.334 1.00 0.00 C ATOM 200 O SER A 15 -1.893 1.073 -2.272 1.00 0.00 O ATOM 201 CB SER A 15 -0.201 0.906 -4.731 1.00 0.00 C ATOM 202 OG SER A 15 0.928 1.350 -5.469 1.00 0.00 O ATOM 0 H SER A 15 0.593 2.602 -3.051 1.00 0.00 H new ATOM 0 HA SER A 15 -1.484 2.578 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.127 0.322 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.810 0.247 -5.350 1.00 0.00 H new ATOM 0 HG SER A 15 1.672 1.524 -4.855 1.00 0.00 H new ATOM 207 N ALA A 16 -3.412 1.845 -3.717 1.00 0.00 N ATOM 208 CA ALA A 16 -4.534 1.431 -2.879 1.00 0.00 C ATOM 209 C ALA A 16 -4.972 0.010 -3.207 1.00 0.00 C ATOM 210 O ALA A 16 -5.247 -0.310 -4.365 1.00 0.00 O ATOM 211 CB ALA A 16 -5.704 2.392 -3.020 1.00 0.00 C ATOM 0 H ALA A 16 -3.675 2.302 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.195 1.452 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.526 2.060 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.392 3.392 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.034 2.414 -4.059 1.00 0.00 H new ATOM 217 N PHE A 17 -5.090 -0.823 -2.184 1.00 0.00 N ATOM 218 CA PHE A 17 -5.556 -2.195 -2.357 1.00 0.00 C ATOM 219 C PHE A 17 -6.815 -2.412 -1.541 1.00 0.00 C ATOM 220 O PHE A 17 -7.033 -1.730 -0.552 1.00 0.00 O ATOM 221 CB PHE A 17 -4.488 -3.223 -1.939 1.00 0.00 C ATOM 222 CG PHE A 17 -3.189 -3.121 -2.694 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.376 -2.007 -2.564 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.790 -4.135 -3.553 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.196 -1.907 -3.269 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.608 -4.040 -4.260 1.00 0.00 C ATOM 227 CZ PHE A 17 -0.810 -2.922 -4.117 1.00 0.00 C ATOM 0 H PHE A 17 -4.869 -0.573 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.764 -2.343 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.285 -3.104 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.894 -4.225 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.671 -1.206 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.412 -5.010 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.573 -1.032 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.308 -4.838 -4.923 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.115 -2.843 -4.669 1.00 0.00 H new ATOM 236 N THR A 18 -7.671 -3.316 -1.983 1.00 0.00 N ATOM 237 CA THR A 18 -8.927 -3.558 -1.289 1.00 0.00 C ATOM 238 C THR A 18 -8.704 -4.181 0.087 1.00 0.00 C ATOM 239 O THR A 18 -9.347 -3.806 1.059 1.00 0.00 O ATOM 240 CB THR A 18 -9.858 -4.463 -2.107 1.00 0.00 C ATOM 241 OG1 THR A 18 -9.194 -5.691 -2.435 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.311 -3.765 -3.381 1.00 0.00 C ATOM 0 H THR A 18 -7.523 -3.891 -2.812 1.00 0.00 H new ATOM 0 HA THR A 18 -9.399 -2.584 -1.162 1.00 0.00 H new ATOM 0 HB THR A 18 -10.737 -4.682 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.798 -6.261 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.970 -4.426 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.847 -2.851 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.441 -3.517 -3.989 1.00 0.00 H new ATOM 250 N THR A 19 -7.845 -5.176 0.163 1.00 0.00 N ATOM 251 CA THR A 19 -7.620 -5.875 1.416 1.00 0.00 C ATOM 252 C THR A 19 -6.247 -5.569 1.983 1.00 0.00 C ATOM 253 O THR A 19 -5.269 -5.459 1.235 1.00 0.00 O ATOM 254 CB THR A 19 -7.772 -7.400 1.254 1.00 0.00 C ATOM 255 OG1 THR A 19 -6.821 -7.889 0.305 1.00 0.00 O ATOM 256 CG2 THR A 19 -9.177 -7.763 0.805 1.00 0.00 C ATOM 0 H THR A 19 -7.292 -5.519 -0.622 1.00 0.00 H new ATOM 0 HA THR A 19 -8.381 -5.517 2.110 1.00 0.00 H new ATOM 0 HB THR A 19 -7.589 -7.864 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.924 -8.859 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.257 -8.845 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.897 -7.417 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.387 -7.288 -0.153 1.00 0.00 H new ATOM 264 N LYS A 20 -6.153 -5.609 3.312 1.00 0.00 N ATOM 265 CA LYS A 20 -4.865 -5.535 3.992 1.00 0.00 C ATOM 266 C LYS A 20 -3.968 -6.624 3.463 1.00 0.00 C ATOM 267 O LYS A 20 -2.753 -6.464 3.345 1.00 0.00 O ATOM 268 CB LYS A 20 -5.023 -5.716 5.499 1.00 0.00 C ATOM 269 CG LYS A 20 -5.714 -4.556 6.158 1.00 0.00 C ATOM 270 CD LYS A 20 -5.821 -4.740 7.663 1.00 0.00 C ATOM 271 CE LYS A 20 -6.531 -3.564 8.310 1.00 0.00 C ATOM 272 NZ LYS A 20 -6.638 -3.713 9.788 1.00 0.00 N ATOM 0 H LYS A 20 -6.955 -5.692 3.937 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.434 -4.552 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.589 -6.627 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.039 -5.850 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.167 -3.638 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.712 -4.440 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.362 -5.660 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.824 -4.847 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.993 -2.645 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.529 -3.466 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.129 -2.887 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.174 -4.576 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.685 -3.780 10.200 1.00 0.00 H new ATOM 282 N ALA A 21 -4.598 -7.744 3.175 1.00 0.00 N ATOM 283 CA ALA A 21 -3.912 -8.906 2.686 1.00 0.00 C ATOM 284 C ALA A 21 -3.177 -8.612 1.372 1.00 0.00 C ATOM 285 O ALA A 21 -2.010 -8.976 1.215 1.00 0.00 O ATOM 286 CB ALA A 21 -4.900 -10.050 2.517 1.00 0.00 C ATOM 0 H ALA A 21 -5.605 -7.867 3.277 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.157 -9.196 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.377 -10.931 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.359 -10.279 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.673 -9.761 1.805 1.00 0.00 H new ATOM 292 N ASN A 22 -3.833 -7.894 0.454 1.00 0.00 N ATOM 293 CA ASN A 22 -3.181 -7.504 -0.801 1.00 0.00 C ATOM 294 C ASN A 22 -2.027 -6.545 -0.538 1.00 0.00 C ATOM 295 O ASN A 22 -0.961 -6.672 -1.137 1.00 0.00 O ATOM 296 CB ASN A 22 -4.147 -6.871 -1.812 1.00 0.00 C ATOM 297 CG ASN A 22 -5.159 -7.851 -2.370 1.00 0.00 C ATOM 298 OD1 ASN A 22 -4.804 -8.947 -2.795 1.00 0.00 O ATOM 299 ND2 ASN A 22 -6.414 -7.435 -2.441 1.00 0.00 N ATOM 0 H ASN A 22 -4.797 -7.576 0.552 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.805 -8.428 -1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.676 -6.048 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.573 -6.445 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.126 -8.032 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.668 -6.517 -2.076 1.00 0.00 H new ATOM 305 N CYS A 23 -2.231 -5.608 0.377 1.00 0.00 N ATOM 306 CA CYS A 23 -1.186 -4.656 0.740 1.00 0.00 C ATOM 307 C CYS A 23 0.033 -5.399 1.288 1.00 0.00 C ATOM 308 O CYS A 23 1.174 -5.053 0.980 1.00 0.00 O ATOM 309 CB CYS A 23 -1.715 -3.652 1.770 1.00 0.00 C ATOM 310 SG CYS A 23 -0.524 -2.382 2.260 1.00 0.00 S ATOM 0 H CYS A 23 -3.109 -5.485 0.882 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.885 -4.105 -0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.600 -3.164 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.033 -4.196 2.659 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.072 -1.586 3.130 1.00 0.00 H new ATOM 315 N ALA A 24 -0.222 -6.431 2.086 1.00 0.00 N ATOM 316 CA ALA A 24 0.839 -7.240 2.674 1.00 0.00 C ATOM 317 C ALA A 24 1.722 -7.891 1.609 1.00 0.00 C ATOM 318 O ALA A 24 2.948 -7.848 1.710 1.00 0.00 O ATOM 319 CB ALA A 24 0.248 -8.302 3.586 1.00 0.00 C ATOM 0 H ALA A 24 -1.164 -6.728 2.342 1.00 0.00 H new ATOM 0 HA ALA A 24 1.471 -6.572 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.051 -8.899 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.317 -7.822 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.415 -8.948 3.010 1.00 0.00 H new ATOM 325 N ARG A 25 1.105 -8.504 0.597 1.00 0.00 N ATOM 326 CA ARG A 25 1.876 -9.160 -0.458 1.00 0.00 C ATOM 327 C ARG A 25 2.639 -8.119 -1.281 1.00 0.00 C ATOM 328 O ARG A 25 3.791 -8.331 -1.645 1.00 0.00 O ATOM 329 CB ARG A 25 0.994 -10.037 -1.365 1.00 0.00 C ATOM 330 CG ARG A 25 -0.019 -9.277 -2.201 1.00 0.00 C ATOM 331 CD ARG A 25 -0.802 -10.209 -3.112 1.00 0.00 C ATOM 332 NE ARG A 25 -1.727 -9.477 -3.979 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.504 -10.047 -4.902 1.00 0.00 C ATOM 334 NH1 ARG A 25 -2.486 -11.363 -5.084 1.00 0.00 N ATOM 335 NH2 ARG A 25 -3.296 -9.295 -5.657 1.00 0.00 N ATOM 0 H ARG A 25 0.093 -8.560 0.487 1.00 0.00 H new ATOM 0 HA ARG A 25 2.592 -9.825 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.640 -10.607 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.463 -10.757 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.708 -8.745 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.494 -8.526 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.108 -10.784 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.360 -10.923 -2.507 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.781 -8.464 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.874 -11.948 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.084 -11.788 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.310 -8.283 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.890 -9.729 -6.363 1.00 0.00 H new ATOM 346 N HIS A 26 2.005 -6.972 -1.499 1.00 0.00 N ATOM 347 CA HIS A 26 2.619 -5.844 -2.195 1.00 0.00 C ATOM 348 C HIS A 26 3.874 -5.347 -1.472 1.00 0.00 C ATOM 349 O HIS A 26 4.825 -4.895 -2.107 1.00 0.00 O ATOM 350 CB HIS A 26 1.596 -4.704 -2.287 1.00 0.00 C ATOM 351 CG HIS A 26 2.184 -3.378 -2.674 1.00 0.00 C ATOM 352 ND1 HIS A 26 2.650 -3.047 -3.932 1.00 0.00 N ATOM 353 CD2 HIS A 26 2.460 -2.317 -1.885 1.00 0.00 C ATOM 354 CE1 HIS A 26 3.188 -1.813 -3.853 1.00 0.00 C ATOM 355 NE2 HIS A 26 3.091 -1.336 -2.626 1.00 0.00 N ATOM 0 H HIS A 26 1.047 -6.796 -1.197 1.00 0.00 H new ATOM 0 HA HIS A 26 2.918 -6.174 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.831 -4.976 -3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.097 -4.600 -1.323 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.597 -3.630 -4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.223 -2.246 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.638 -1.286 -4.682 1.00 0.00 H new ATOM 362 N LEU A 27 3.770 -5.254 -0.154 1.00 0.00 N ATOM 363 CA LEU A 27 4.777 -4.601 0.680 1.00 0.00 C ATOM 364 C LEU A 27 6.204 -5.078 0.379 1.00 0.00 C ATOM 365 O LEU A 27 7.154 -4.310 0.535 1.00 0.00 O ATOM 366 CB LEU A 27 4.444 -4.824 2.157 1.00 0.00 C ATOM 367 CG LEU A 27 5.343 -4.092 3.155 1.00 0.00 C ATOM 368 CD1 LEU A 27 5.260 -2.585 2.946 1.00 0.00 C ATOM 369 CD2 LEU A 27 4.956 -4.451 4.579 1.00 0.00 C ATOM 0 H LEU A 27 2.982 -5.630 0.373 1.00 0.00 H new ATOM 0 HA LEU A 27 4.749 -3.537 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.413 -4.515 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.495 -5.893 2.365 1.00 0.00 H new ATOM 0 HG LEU A 27 6.373 -4.407 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.906 -2.082 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.583 -2.340 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.231 -2.254 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.605 -3.922 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.920 -4.164 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.065 -5.526 4.726 1.00 0.00 H new ATOM 380 N LYS A 28 6.352 -6.347 0.005 1.00 0.00 N ATOM 381 CA LYS A 28 7.672 -6.937 -0.252 1.00 0.00 C ATOM 382 C LYS A 28 8.494 -6.130 -1.254 1.00 0.00 C ATOM 383 O LYS A 28 9.717 -6.133 -1.182 1.00 0.00 O ATOM 384 CB LYS A 28 7.537 -8.388 -0.723 1.00 0.00 C ATOM 385 CG LYS A 28 6.832 -8.551 -2.062 1.00 0.00 C ATOM 386 CD LYS A 28 6.701 -10.018 -2.436 1.00 0.00 C ATOM 387 CE LYS A 28 8.057 -10.701 -2.524 1.00 0.00 C ATOM 388 NZ LYS A 28 7.926 -12.153 -2.817 1.00 0.00 N ATOM 0 H LYS A 28 5.573 -6.992 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 28 8.211 -6.916 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.532 -8.828 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.991 -8.953 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.843 -8.095 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.389 -8.023 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.084 -10.528 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.187 -10.105 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.654 -10.226 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.593 -10.567 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.871 -12.583 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.378 -12.612 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.437 -12.281 -3.726 1.00 0.00 H new ATOM 398 N VAL A 29 7.841 -5.433 -2.177 1.00 0.00 N ATOM 399 CA VAL A 29 8.572 -4.625 -3.145 1.00 0.00 C ATOM 400 C VAL A 29 9.424 -3.575 -2.427 1.00 0.00 C ATOM 401 O VAL A 29 10.579 -3.345 -2.788 1.00 0.00 O ATOM 402 CB VAL A 29 7.642 -3.937 -4.178 1.00 0.00 C ATOM 403 CG1 VAL A 29 6.800 -4.971 -4.910 1.00 0.00 C ATOM 404 CG2 VAL A 29 6.756 -2.880 -3.531 1.00 0.00 C ATOM 0 H VAL A 29 6.826 -5.410 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 29 9.218 -5.307 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 29 8.278 -3.427 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.154 -4.470 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.454 -5.669 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.188 -5.516 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.121 -2.423 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.132 -3.346 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.380 -2.114 -3.071 1.00 0.00 H new ATOM 414 N HIS A 30 8.867 -2.983 -1.367 1.00 0.00 N ATOM 415 CA HIS A 30 9.588 -1.997 -0.561 1.00 0.00 C ATOM 416 C HIS A 30 10.546 -2.675 0.423 1.00 0.00 C ATOM 417 O HIS A 30 10.864 -2.129 1.480 1.00 0.00 O ATOM 418 CB HIS A 30 8.603 -1.122 0.217 1.00 0.00 C ATOM 419 CG HIS A 30 7.569 -0.445 -0.634 1.00 0.00 C ATOM 420 ND1 HIS A 30 7.836 0.486 -1.622 1.00 0.00 N ATOM 421 CD2 HIS A 30 6.226 -0.585 -0.612 1.00 0.00 C ATOM 422 CE1 HIS A 30 6.657 0.870 -2.152 1.00 0.00 C ATOM 423 NE2 HIS A 30 5.656 0.244 -1.564 1.00 0.00 N ATOM 0 H HIS A 30 7.917 -3.171 -1.047 1.00 0.00 H new ATOM 0 HA HIS A 30 10.169 -1.377 -1.244 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.097 -1.738 0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.163 -0.361 0.761 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.758 0.821 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.680 -1.243 0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.547 1.591 -2.949 1.00 0.00 H new ATOM 430 N THR A 31 11.062 -3.822 0.022 1.00 0.00 N ATOM 431 CA THR A 31 12.057 -4.560 0.787 1.00 0.00 C ATOM 432 C THR A 31 12.565 -5.705 -0.085 1.00 0.00 C ATOM 433 O THR A 31 13.004 -6.756 0.391 1.00 0.00 O ATOM 434 CB THR A 31 11.489 -5.091 2.134 1.00 0.00 C ATOM 435 OG1 THR A 31 12.509 -5.768 2.884 1.00 0.00 O ATOM 436 CG2 THR A 31 10.313 -6.030 1.913 1.00 0.00 C ATOM 0 H THR A 31 10.801 -4.275 -0.854 1.00 0.00 H new ATOM 0 HA THR A 31 12.876 -3.891 1.051 1.00 0.00 H new ATOM 0 HB THR A 31 11.139 -4.227 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 31 13.050 -6.318 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.942 -6.381 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.518 -5.500 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.636 -6.883 1.315 1.00 0.00 H new ATOM 444 N ASP A 32 12.553 -5.433 -1.383 1.00 0.00 N ATOM 445 CA ASP A 32 13.056 -6.344 -2.396 1.00 0.00 C ATOM 446 C ASP A 32 13.056 -5.607 -3.737 1.00 0.00 C ATOM 447 O ASP A 32 13.448 -4.438 -3.798 1.00 0.00 O ATOM 448 CB ASP A 32 12.197 -7.614 -2.469 1.00 0.00 C ATOM 449 CG ASP A 32 12.824 -8.691 -3.331 1.00 0.00 C ATOM 450 OD1 ASP A 32 13.907 -9.195 -2.965 1.00 0.00 O ATOM 451 OD2 ASP A 32 12.257 -9.012 -4.394 1.00 0.00 O ATOM 0 H ASP A 32 12.188 -4.560 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 32 14.068 -6.659 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.043 -8.003 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.214 -7.361 -2.867 1.00 0.00 H new ATOM 455 N THR A 33 12.558 -6.246 -4.785 1.00 0.00 N ATOM 456 CA THR A 33 12.447 -5.611 -6.086 1.00 0.00 C ATOM 457 C THR A 33 11.223 -4.697 -6.137 1.00 0.00 C ATOM 458 O THR A 33 10.113 -5.125 -5.829 1.00 0.00 O ATOM 459 CB THR A 33 12.338 -6.679 -7.187 1.00 0.00 C ATOM 460 OG1 THR A 33 13.439 -7.594 -7.082 1.00 0.00 O ATOM 461 CG2 THR A 33 12.333 -6.042 -8.568 1.00 0.00 C ATOM 0 H THR A 33 12.223 -7.209 -4.757 1.00 0.00 H new ATOM 0 HA THR A 33 13.342 -5.010 -6.251 1.00 0.00 H new ATOM 0 HB THR A 33 11.398 -7.215 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.329 -8.147 -6.281 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.255 -6.820 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.483 -5.365 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.258 -5.483 -8.714 1.00 0.00 H new ATOM 469 N LEU A 34 11.421 -3.455 -6.562 1.00 0.00 N ATOM 470 CA LEU A 34 10.315 -2.510 -6.691 1.00 0.00 C ATOM 471 C LEU A 34 9.515 -2.778 -7.956 1.00 0.00 C ATOM 472 O LEU A 34 8.290 -2.662 -7.965 1.00 0.00 O ATOM 473 CB LEU A 34 10.824 -1.065 -6.700 1.00 0.00 C ATOM 474 CG LEU A 34 11.454 -0.578 -5.395 1.00 0.00 C ATOM 475 CD1 LEU A 34 11.966 0.840 -5.551 1.00 0.00 C ATOM 476 CD2 LEU A 34 10.443 -0.639 -4.262 1.00 0.00 C ATOM 0 H LEU A 34 12.332 -3.078 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 34 9.665 -2.648 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.560 -0.963 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.991 -0.407 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 34 12.292 -1.232 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.411 1.171 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.717 0.871 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.138 1.499 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.908 -0.289 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.589 -0.005 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.106 -1.667 -4.130 1.00 0.00 H new ATOM 487 N SER A 35 10.221 -3.071 -9.034 1.00 0.00 N ATOM 488 CA SER A 35 9.594 -3.288 -10.323 1.00 0.00 C ATOM 489 C SER A 35 8.962 -4.678 -10.395 1.00 0.00 C ATOM 490 O SER A 35 9.665 -5.635 -10.783 1.00 0.00 O ATOM 491 CB SER A 35 10.637 -3.108 -11.424 1.00 0.00 C ATOM 492 OG SER A 35 11.749 -3.961 -11.207 1.00 0.00 O ATOM 493 OXT SER A 35 7.764 -4.806 -10.059 1.00 0.00 O ATOM 0 H SER A 35 11.237 -3.164 -9.040 1.00 0.00 H new ATOM 0 HA SER A 35 8.796 -2.558 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.190 -3.325 -12.394 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.969 -2.070 -11.451 1.00 0.00 H new ATOM 0 HG SER A 35 11.432 -4.855 -10.962 1.00 0.00 H new TER 498 SER A 35 HETATM 499 ZN ZN A 36 3.739 0.401 -1.979 1.00 0.00 ZN