USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 256 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 Set 1.1: A 4 THR OG1 : rot 180:sc= -0.799 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 171:sc= 0.0127 (180deg=0.00762) USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0107 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -89:sc= 0.871 USER MOD Single : A 13 GLN : amide:sc= 0.0289 X(o=0.029,f=0) USER MOD Single : A 14 ASN : amide:sc= -8.21! C(o=-8.2!,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 138:sc= -1.03! 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 ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.650 -13.737 2.643 1.00 0.00 N ATOM 2 CA ALA A 1 -8.583 -12.732 2.918 1.00 0.00 C ATOM 3 C ALA A 1 -9.208 -11.394 3.323 1.00 0.00 C ATOM 4 O ALA A 1 -10.199 -10.967 2.765 1.00 0.00 O ATOM 5 CB ALA A 1 -7.822 -12.593 1.600 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.393 -14.295 1.804 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.750 -14.370 3.462 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.552 -13.248 2.471 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.929 -13.036 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.017 -11.868 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.402 -13.559 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.504 -12.253 0.820 1.00 0.00 H new ATOM 11 N ILE A 2 -8.636 -10.729 4.290 1.00 0.00 N ATOM 12 CA ILE A 2 -9.198 -9.418 4.729 1.00 0.00 C ATOM 13 C ILE A 2 -9.113 -8.395 3.593 1.00 0.00 C ATOM 14 O ILE A 2 -10.041 -7.652 3.342 1.00 0.00 O ATOM 15 CB ILE A 2 -8.324 -8.984 5.905 1.00 0.00 C ATOM 16 CG1 ILE A 2 -8.560 -9.924 7.090 1.00 0.00 C ATOM 17 CG2 ILE A 2 -8.684 -7.553 6.309 1.00 0.00 C ATOM 18 CD1 ILE A 2 -7.512 -9.658 8.172 1.00 0.00 C ATOM 0 H ILE A 2 -7.805 -11.036 4.795 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.249 -9.495 5.008 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.275 -9.025 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.561 -9.772 7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.503 -10.962 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.060 -7.244 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.515 -6.883 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.733 -7.511 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.681 -10.328 9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.516 -9.832 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.591 -8.624 8.509 1.00 0.00 H new ATOM 30 N GLY A 3 -8.005 -8.348 2.906 1.00 0.00 N ATOM 31 CA GLY A 3 -7.861 -7.371 1.790 1.00 0.00 C ATOM 32 C GLY A 3 -7.103 -6.127 2.273 1.00 0.00 C ATOM 33 O GLY A 3 -6.868 -5.207 1.514 1.00 0.00 O ATOM 0 H GLY A 3 -7.193 -8.944 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.327 -7.832 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.845 -7.085 1.417 1.00 0.00 H new ATOM 37 N THR A 4 -6.711 -6.088 3.520 1.00 0.00 N ATOM 38 CA THR A 4 -5.965 -4.898 4.027 1.00 0.00 C ATOM 39 C THR A 4 -4.676 -5.351 4.717 1.00 0.00 C ATOM 40 O THR A 4 -4.603 -6.433 5.266 1.00 0.00 O ATOM 41 CB THR A 4 -6.905 -4.234 5.036 1.00 0.00 C ATOM 42 OG1 THR A 4 -7.125 -5.119 6.125 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.242 -3.905 4.368 1.00 0.00 C ATOM 0 H THR A 4 -6.874 -6.825 4.206 1.00 0.00 H new ATOM 0 HA THR A 4 -5.683 -4.214 3.227 1.00 0.00 H new ATOM 0 HB THR A 4 -6.451 -3.311 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.725 -4.696 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.905 -3.433 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.074 -3.225 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.701 -4.823 4.001 1.00 0.00 H new ATOM 51 N TRP A 5 -3.655 -4.538 4.694 1.00 0.00 N ATOM 52 CA TRP A 5 -2.379 -4.938 5.350 1.00 0.00 C ATOM 53 C TRP A 5 -1.647 -3.706 5.895 1.00 0.00 C ATOM 54 O TRP A 5 -1.854 -2.595 5.444 1.00 0.00 O ATOM 55 CB TRP A 5 -1.567 -5.606 4.239 1.00 0.00 C ATOM 56 CG TRP A 5 -1.407 -4.654 3.098 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.357 -4.374 2.177 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.245 -3.858 2.734 1.00 0.00 C ATOM 59 NE1 TRP A 5 -1.849 -3.455 1.279 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.556 -3.110 1.577 1.00 0.00 C ATOM 61 CE3 TRP A 5 1.036 -3.712 3.287 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.363 -2.248 0.989 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.964 -2.844 2.696 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.628 -2.115 1.550 1.00 0.00 C ATOM 0 H TRP A 5 -3.649 -3.619 4.252 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.538 -5.603 6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.589 -5.904 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.069 -6.513 3.902 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.349 -4.799 2.148 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.373 -3.078 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.308 -4.270 4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.097 -1.687 0.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.948 -2.737 3.129 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.351 -1.450 1.102 1.00 0.00 H new ATOM 75 N ASP A 6 -0.779 -3.896 6.852 1.00 0.00 N ATOM 76 CA ASP A 6 -0.020 -2.734 7.411 1.00 0.00 C ATOM 77 C ASP A 6 1.481 -2.951 7.212 1.00 0.00 C ATOM 78 O ASP A 6 1.983 -4.047 7.365 1.00 0.00 O ATOM 79 CB ASP A 6 -0.362 -2.669 8.907 1.00 0.00 C ATOM 80 CG ASP A 6 -1.835 -2.296 9.080 1.00 0.00 C ATOM 81 OD1 ASP A 6 -2.427 -1.836 8.118 1.00 0.00 O ATOM 82 OD2 ASP A 6 -2.347 -2.476 10.173 1.00 0.00 O ATOM 0 H ASP A 6 -0.561 -4.800 7.271 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.287 -1.803 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.162 -3.631 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.271 -1.933 9.404 1.00 0.00 H new ATOM 87 N CYS A 7 2.203 -1.916 6.881 1.00 0.00 N ATOM 88 CA CYS A 7 3.671 -2.068 6.681 1.00 0.00 C ATOM 89 C CYS A 7 4.391 -1.891 8.021 1.00 0.00 C ATOM 90 O CYS A 7 4.352 -0.836 8.621 1.00 0.00 O ATOM 91 CB CYS A 7 4.044 -0.952 5.699 1.00 0.00 C ATOM 92 SG CYS A 7 5.723 -1.213 5.086 1.00 0.00 S ATOM 0 H CYS A 7 1.840 -0.973 6.741 1.00 0.00 H new ATOM 0 HA CYS A 7 3.953 -3.049 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.341 -0.938 4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.974 0.018 6.192 1.00 0.00 H new ATOM 97 N ASP A 8 5.039 -2.920 8.500 1.00 0.00 N ATOM 98 CA ASP A 8 5.749 -2.802 9.812 1.00 0.00 C ATOM 99 C ASP A 8 7.222 -2.438 9.606 1.00 0.00 C ATOM 100 O ASP A 8 7.944 -2.196 10.553 1.00 0.00 O ATOM 101 CB ASP A 8 5.626 -4.180 10.471 1.00 0.00 C ATOM 102 CG ASP A 8 6.174 -5.255 9.531 1.00 0.00 C ATOM 103 OD1 ASP A 8 6.797 -4.891 8.546 1.00 0.00 O ATOM 104 OD2 ASP A 8 5.961 -6.424 9.810 1.00 0.00 O ATOM 0 H ASP A 8 5.109 -3.831 8.046 1.00 0.00 H new ATOM 0 HA ASP A 8 5.316 -2.015 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.175 -4.193 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.583 -4.388 10.707 1.00 0.00 H new ATOM 109 N THR A 9 7.678 -2.386 8.383 1.00 0.00 N ATOM 110 CA THR A 9 9.103 -2.024 8.145 1.00 0.00 C ATOM 111 C THR A 9 9.327 -0.554 8.505 1.00 0.00 C ATOM 112 O THR A 9 10.397 -0.163 8.925 1.00 0.00 O ATOM 113 CB THR A 9 9.338 -2.258 6.651 1.00 0.00 C ATOM 114 OG1 THR A 9 8.432 -1.465 5.899 1.00 0.00 O ATOM 115 CG2 THR A 9 9.121 -3.736 6.321 1.00 0.00 C ATOM 0 H THR A 9 7.129 -2.577 7.545 1.00 0.00 H new ATOM 0 HA THR A 9 9.789 -2.614 8.752 1.00 0.00 H new ATOM 0 HB THR A 9 10.361 -1.979 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.605 -1.968 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.289 -3.900 5.257 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.820 -4.344 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.100 -4.019 6.575 1.00 0.00 H new ATOM 123 N CYS A 10 8.322 0.265 8.333 1.00 0.00 N ATOM 124 CA CYS A 10 8.476 1.712 8.656 1.00 0.00 C ATOM 125 C CYS A 10 7.257 2.243 9.429 1.00 0.00 C ATOM 126 O CYS A 10 7.012 3.433 9.473 1.00 0.00 O ATOM 127 CB CYS A 10 8.619 2.396 7.298 1.00 0.00 C ATOM 128 SG CYS A 10 7.003 2.497 6.497 1.00 0.00 S ATOM 0 H CYS A 10 7.403 -0.006 7.983 1.00 0.00 H new ATOM 0 HA CYS A 10 9.334 1.902 9.301 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.036 3.395 7.425 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.313 1.838 6.670 1.00 0.00 H new ATOM 133 N LEU A 11 6.506 1.370 10.054 1.00 0.00 N ATOM 134 CA LEU A 11 5.315 1.814 10.852 1.00 0.00 C ATOM 135 C LEU A 11 4.304 2.579 9.990 1.00 0.00 C ATOM 136 O LEU A 11 3.806 3.618 10.376 1.00 0.00 O ATOM 137 CB LEU A 11 5.880 2.720 11.950 1.00 0.00 C ATOM 138 CG LEU A 11 6.182 1.886 13.195 1.00 0.00 C ATOM 139 CD1 LEU A 11 7.190 0.791 12.846 1.00 0.00 C ATOM 140 CD2 LEU A 11 6.769 2.788 14.282 1.00 0.00 C ATOM 0 H LEU A 11 6.666 0.363 10.047 1.00 0.00 H new ATOM 0 HA LEU A 11 4.774 0.959 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.788 3.211 11.599 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.165 3.506 12.191 1.00 0.00 H new ATOM 0 HG LEU A 11 5.261 1.430 13.557 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.404 0.197 13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.774 0.147 12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.111 1.247 12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.985 2.194 15.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.690 3.244 13.918 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.052 3.569 14.533 1.00 0.00 H new ATOM 152 N VAL A 12 3.985 2.067 8.836 1.00 0.00 N ATOM 153 CA VAL A 12 2.989 2.755 7.958 1.00 0.00 C ATOM 154 C VAL A 12 1.890 1.772 7.536 1.00 0.00 C ATOM 155 O VAL A 12 2.162 0.652 7.157 1.00 0.00 O ATOM 156 CB VAL A 12 3.782 3.237 6.743 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.812 3.695 5.652 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.672 4.411 7.154 1.00 0.00 C ATOM 0 H VAL A 12 4.369 1.201 8.459 1.00 0.00 H new ATOM 0 HA VAL A 12 2.496 3.583 8.467 1.00 0.00 H new ATOM 0 HB VAL A 12 4.400 2.423 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.376 4.039 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.172 2.862 5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.196 4.511 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.239 4.757 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.051 5.224 7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.361 4.089 7.935 1.00 0.00 H new ATOM 168 N GLN A 13 0.652 2.176 7.604 1.00 0.00 N ATOM 169 CA GLN A 13 -0.453 1.252 7.209 1.00 0.00 C ATOM 170 C GLN A 13 -0.880 1.514 5.761 1.00 0.00 C ATOM 171 O GLN A 13 -0.869 2.637 5.296 1.00 0.00 O ATOM 172 CB GLN A 13 -1.600 1.571 8.168 1.00 0.00 C ATOM 173 CG GLN A 13 -1.209 1.158 9.588 1.00 0.00 C ATOM 174 CD GLN A 13 -2.338 1.526 10.554 1.00 0.00 C ATOM 175 OE1 GLN A 13 -2.680 2.683 10.693 1.00 0.00 O ATOM 176 NE2 GLN A 13 -2.934 0.583 11.232 1.00 0.00 N ATOM 0 H GLN A 13 0.356 3.102 7.914 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.150 0.206 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.828 2.637 8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.503 1.043 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.017 0.086 9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.286 1.658 9.883 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.647 -0.389 11.115 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.687 0.818 11.879 1.00 0.00 H new ATOM 185 N ASN A 14 -1.266 0.489 5.047 1.00 0.00 N ATOM 186 CA ASN A 14 -1.708 0.689 3.632 1.00 0.00 C ATOM 187 C ASN A 14 -3.100 0.094 3.434 1.00 0.00 C ATOM 188 O ASN A 14 -3.423 -0.949 3.969 1.00 0.00 O ATOM 189 CB ASN A 14 -0.696 -0.052 2.746 1.00 0.00 C ATOM 190 CG ASN A 14 0.717 0.482 2.998 1.00 0.00 C ATOM 191 OD1 ASN A 14 1.079 0.778 4.117 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.538 0.616 1.991 1.00 0.00 N ATOM 0 H ASN A 14 -1.295 -0.475 5.379 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.753 1.749 3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.732 -1.121 2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.959 0.075 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.482 0.969 2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.235 0.367 1.049 1.00 0.00 H new ATOM 199 N LYS A 15 -3.922 0.740 2.662 1.00 0.00 N ATOM 200 CA LYS A 15 -5.290 0.203 2.418 1.00 0.00 C ATOM 201 C LYS A 15 -5.279 -0.699 1.182 1.00 0.00 C ATOM 202 O LYS A 15 -4.300 -0.755 0.464 1.00 0.00 O ATOM 203 CB LYS A 15 -6.166 1.434 2.184 1.00 0.00 C ATOM 204 CG LYS A 15 -6.906 1.785 3.477 1.00 0.00 C ATOM 205 CD LYS A 15 -7.468 3.204 3.376 1.00 0.00 C ATOM 206 CE LYS A 15 -7.221 3.947 4.690 1.00 0.00 C ATOM 207 NZ LYS A 15 -7.283 5.391 4.331 1.00 0.00 N ATOM 0 H LYS A 15 -3.708 1.617 2.188 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.658 -0.398 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.552 2.276 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.881 1.239 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.714 1.074 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.228 1.711 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.994 3.736 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.536 3.169 3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.974 3.693 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.252 3.687 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.123 5.967 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.550 5.605 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.219 5.610 3.935 1.00 0.00 H new ATOM 221 N PRO A 16 -6.372 -1.378 0.975 1.00 0.00 N ATOM 222 CA PRO A 16 -6.493 -2.291 -0.188 1.00 0.00 C ATOM 223 C PRO A 16 -6.183 -1.544 -1.488 1.00 0.00 C ATOM 224 O PRO A 16 -5.630 -2.098 -2.419 1.00 0.00 O ATOM 225 CB PRO A 16 -7.955 -2.733 -0.152 1.00 0.00 C ATOM 226 CG PRO A 16 -8.393 -2.513 1.260 1.00 0.00 C ATOM 227 CD PRO A 16 -7.586 -1.359 1.794 1.00 0.00 C ATOM 0 HA PRO A 16 -5.799 -3.130 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.560 -2.152 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.058 -3.780 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.459 -2.291 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.229 -3.409 1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.122 -0.415 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.357 -1.486 2.852 1.00 0.00 H new ATOM 235 N GLU A 17 -6.537 -0.291 -1.558 1.00 0.00 N ATOM 236 CA GLU A 17 -6.265 0.495 -2.797 1.00 0.00 C ATOM 237 C GLU A 17 -4.757 0.684 -2.980 1.00 0.00 C ATOM 238 O GLU A 17 -4.249 0.670 -4.084 1.00 0.00 O ATOM 239 CB GLU A 17 -6.949 1.844 -2.569 1.00 0.00 C ATOM 240 CG GLU A 17 -8.465 1.650 -2.544 1.00 0.00 C ATOM 241 CD GLU A 17 -9.144 2.983 -2.223 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.436 3.965 -2.075 1.00 0.00 O ATOM 243 OE2 GLU A 17 -10.361 3.001 -2.133 1.00 0.00 O ATOM 0 H GLU A 17 -7.003 0.224 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.636 -0.004 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.612 2.280 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.674 2.541 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.811 1.276 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.735 0.903 -1.797 1.00 0.00 H new ATOM 250 N ALA A 18 -4.043 0.865 -1.905 1.00 0.00 N ATOM 251 CA ALA A 18 -2.569 1.061 -2.006 1.00 0.00 C ATOM 252 C ALA A 18 -1.932 -0.051 -2.845 1.00 0.00 C ATOM 253 O ALA A 18 -2.600 -0.940 -3.335 1.00 0.00 O ATOM 254 CB ALA A 18 -2.063 1.001 -0.565 1.00 0.00 C ATOM 0 H ALA A 18 -4.418 0.886 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.315 2.003 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.982 1.137 -0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.535 1.791 0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.311 0.032 -0.132 1.00 0.00 H new ATOM 260 N VAL A 19 -0.639 -0.006 -3.004 1.00 0.00 N ATOM 261 CA VAL A 19 0.067 -1.049 -3.798 1.00 0.00 C ATOM 262 C VAL A 19 1.509 -1.105 -3.314 1.00 0.00 C ATOM 263 O VAL A 19 2.051 -2.155 -3.027 1.00 0.00 O ATOM 264 CB VAL A 19 -0.003 -0.573 -5.250 1.00 0.00 C ATOM 265 CG1 VAL A 19 0.866 -1.477 -6.128 1.00 0.00 C ATOM 266 CG2 VAL A 19 -1.453 -0.631 -5.737 1.00 0.00 C ATOM 0 H VAL A 19 -0.035 0.717 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.369 -2.043 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 19 0.361 0.452 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.815 -1.137 -7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.899 -1.436 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.503 -2.503 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.503 -0.292 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.818 -1.656 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.072 0.014 -5.113 1.00 0.00 H new ATOM 276 N LYS A 20 2.112 0.040 -3.186 1.00 0.00 N ATOM 277 CA LYS A 20 3.505 0.104 -2.678 1.00 0.00 C ATOM 278 C LYS A 20 3.600 1.264 -1.686 1.00 0.00 C ATOM 279 O LYS A 20 3.332 2.403 -2.015 1.00 0.00 O ATOM 280 CB LYS A 20 4.397 0.338 -3.900 1.00 0.00 C ATOM 281 CG LYS A 20 4.275 -0.857 -4.849 1.00 0.00 C ATOM 282 CD LYS A 20 5.171 -0.637 -6.070 1.00 0.00 C ATOM 283 CE LYS A 20 5.040 -1.832 -7.020 1.00 0.00 C ATOM 284 NZ LYS A 20 5.946 -1.520 -8.159 1.00 0.00 N ATOM 0 H LYS A 20 1.695 0.942 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 20 3.813 -0.806 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.102 1.255 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.434 0.466 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.563 -1.774 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.239 -0.980 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.887 0.282 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.208 -0.519 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.330 -2.761 -6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.011 -1.957 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.911 -2.294 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.642 -0.635 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.920 -1.413 -7.809 1.00 0.00 H new ATOM 298 N CYS A 21 3.943 0.969 -0.470 1.00 0.00 N ATOM 299 CA CYS A 21 4.024 2.029 0.581 1.00 0.00 C ATOM 300 C CYS A 21 4.747 3.283 0.065 1.00 0.00 C ATOM 301 O CYS A 21 5.700 3.216 -0.669 1.00 0.00 O ATOM 302 CB CYS A 21 4.794 1.377 1.735 1.00 0.00 C ATOM 303 SG CYS A 21 4.633 2.392 3.223 1.00 0.00 S ATOM 0 H CYS A 21 4.175 0.029 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 21 3.036 2.371 0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.408 0.375 1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.845 1.269 1.469 1.00 0.00 H new ATOM 308 N VAL A 22 4.271 4.437 0.429 1.00 0.00 N ATOM 309 CA VAL A 22 4.909 5.698 -0.053 1.00 0.00 C ATOM 310 C VAL A 22 6.319 5.876 0.527 1.00 0.00 C ATOM 311 O VAL A 22 7.241 6.264 -0.163 1.00 0.00 O ATOM 312 CB VAL A 22 3.995 6.808 0.457 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.625 8.168 0.155 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.635 6.710 -0.237 1.00 0.00 C ATOM 0 H VAL A 22 3.465 4.566 1.041 1.00 0.00 H new ATOM 0 HA VAL A 22 5.022 5.699 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 22 3.861 6.701 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.972 8.961 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.593 8.239 0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.760 8.275 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.982 7.503 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.768 6.816 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.185 5.741 -0.020 1.00 0.00 H new ATOM 324 N ALA A 23 6.480 5.632 1.798 1.00 0.00 N ATOM 325 CA ALA A 23 7.815 5.825 2.445 1.00 0.00 C ATOM 326 C ALA A 23 8.876 4.861 1.901 1.00 0.00 C ATOM 327 O ALA A 23 10.024 5.224 1.740 1.00 0.00 O ATOM 328 CB ALA A 23 7.568 5.554 3.929 1.00 0.00 C ATOM 0 H ALA A 23 5.742 5.305 2.422 1.00 0.00 H new ATOM 0 HA ALA A 23 8.202 6.825 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.500 5.674 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.828 6.258 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.199 4.536 4.057 1.00 0.00 H new ATOM 334 N CYS A 24 8.521 3.635 1.647 1.00 0.00 N ATOM 335 CA CYS A 24 9.544 2.660 1.151 1.00 0.00 C ATOM 336 C CYS A 24 8.979 1.732 0.068 1.00 0.00 C ATOM 337 O CYS A 24 9.603 0.756 -0.299 1.00 0.00 O ATOM 338 CB CYS A 24 9.931 1.858 2.392 1.00 0.00 C ATOM 339 SG CYS A 24 8.515 0.872 2.936 1.00 0.00 S ATOM 0 H CYS A 24 7.578 3.263 1.758 1.00 0.00 H new ATOM 0 HA CYS A 24 10.390 3.168 0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.777 1.208 2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.248 2.531 3.189 1.00 0.00 H new ATOM 344 N GLU A 25 7.820 2.037 -0.448 1.00 0.00 N ATOM 345 CA GLU A 25 7.202 1.185 -1.518 1.00 0.00 C ATOM 346 C GLU A 25 7.400 -0.303 -1.225 1.00 0.00 C ATOM 347 O GLU A 25 8.247 -0.951 -1.808 1.00 0.00 O ATOM 348 CB GLU A 25 7.926 1.581 -2.804 1.00 0.00 C ATOM 349 CG GLU A 25 7.555 3.019 -3.175 1.00 0.00 C ATOM 350 CD GLU A 25 8.348 3.451 -4.411 1.00 0.00 C ATOM 351 OE1 GLU A 25 9.106 2.641 -4.917 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.182 4.585 -4.830 1.00 0.00 O ATOM 0 H GLU A 25 7.265 2.848 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 25 6.125 1.340 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.004 1.496 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.652 0.903 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.486 3.090 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.769 3.687 -2.341 1.00 0.00 H new ATOM 359 N THR A 26 6.624 -0.853 -0.333 1.00 0.00 N ATOM 360 CA THR A 26 6.783 -2.303 -0.027 1.00 0.00 C ATOM 361 C THR A 26 6.279 -3.143 -1.204 1.00 0.00 C ATOM 362 O THR A 26 5.381 -2.739 -1.915 1.00 0.00 O ATOM 363 CB THR A 26 5.928 -2.556 1.213 1.00 0.00 C ATOM 364 OG1 THR A 26 4.889 -1.592 1.275 1.00 0.00 O ATOM 365 CG2 THR A 26 6.802 -2.453 2.463 1.00 0.00 C ATOM 0 H THR A 26 5.895 -0.369 0.192 1.00 0.00 H new ATOM 0 HA THR A 26 7.825 -2.574 0.143 1.00 0.00 H new ATOM 0 HB THR A 26 5.492 -3.553 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.054 -2.028 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.193 -2.633 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.598 -3.196 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.239 -1.456 2.520 1.00 0.00 H new ATOM 373 N PRO A 27 6.878 -4.291 -1.369 1.00 0.00 N ATOM 374 CA PRO A 27 6.485 -5.205 -2.471 1.00 0.00 C ATOM 375 C PRO A 27 5.003 -5.569 -2.356 1.00 0.00 C ATOM 376 O PRO A 27 4.368 -5.944 -3.320 1.00 0.00 O ATOM 377 CB PRO A 27 7.356 -6.442 -2.251 1.00 0.00 C ATOM 378 CG PRO A 27 8.488 -5.982 -1.389 1.00 0.00 C ATOM 379 CD PRO A 27 7.970 -4.839 -0.559 1.00 0.00 C ATOM 0 HA PRO A 27 6.622 -4.762 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.792 -7.239 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.720 -6.840 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.842 -6.792 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.333 -5.664 -1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.616 -5.179 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.744 -4.095 -0.374 1.00 0.00 H new ATOM 387 N LYS A 28 4.452 -5.472 -1.178 1.00 0.00 N ATOM 388 CA LYS A 28 3.015 -5.825 -0.993 1.00 0.00 C ATOM 389 C LYS A 28 2.799 -7.308 -1.309 1.00 0.00 C ATOM 390 O LYS A 28 2.129 -7.649 -2.264 1.00 0.00 O ATOM 391 CB LYS A 28 2.258 -4.948 -1.990 1.00 0.00 C ATOM 392 CG LYS A 28 0.840 -4.690 -1.472 1.00 0.00 C ATOM 393 CD LYS A 28 -0.114 -4.510 -2.654 1.00 0.00 C ATOM 394 CE LYS A 28 -0.750 -5.856 -3.007 1.00 0.00 C ATOM 395 NZ LYS A 28 -2.143 -5.528 -3.418 1.00 0.00 N ATOM 0 H LYS A 28 4.935 -5.163 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 28 2.674 -5.661 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.783 -4.003 -2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.217 -5.437 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.512 -5.523 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.828 -3.800 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.888 -3.785 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.426 -4.115 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.207 -6.350 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.740 -6.533 -2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.644 -6.402 -3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.638 -5.065 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.122 -4.887 -4.237 1.00 0.00 H new ATOM 409 N PRO A 29 3.384 -8.144 -0.493 1.00 0.00 N ATOM 410 CA PRO A 29 3.262 -9.610 -0.688 1.00 0.00 C ATOM 411 C PRO A 29 1.797 -10.042 -0.590 1.00 0.00 C ATOM 412 O PRO A 29 1.029 -9.497 0.178 1.00 0.00 O ATOM 413 CB PRO A 29 4.078 -10.212 0.458 1.00 0.00 C ATOM 414 CG PRO A 29 4.917 -9.092 0.993 1.00 0.00 C ATOM 415 CD PRO A 29 4.203 -7.807 0.673 1.00 0.00 C ATOM 0 HA PRO A 29 3.616 -9.934 -1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.426 -10.617 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.701 -11.034 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.057 -9.196 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.908 -9.104 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.590 -7.471 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.905 -7.004 0.450 1.00 0.00 H new ATOM 423 N GLY A 30 1.406 -11.022 -1.358 1.00 0.00 N ATOM 424 CA GLY A 30 -0.006 -11.492 -1.304 1.00 0.00 C ATOM 425 C GLY A 30 -0.108 -12.669 -0.335 1.00 0.00 C ATOM 426 O GLY A 30 0.273 -13.780 -0.649 1.00 0.00 O ATOM 0 H GLY A 30 2.004 -11.517 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.659 -10.682 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.340 -11.793 -2.297 1.00 0.00 H new ATOM 430 N THR A 31 -0.617 -12.437 0.844 1.00 0.00 N ATOM 431 CA THR A 31 -0.740 -13.543 1.836 1.00 0.00 C ATOM 432 C THR A 31 -2.197 -13.694 2.280 1.00 0.00 C ATOM 433 O THR A 31 -2.839 -12.738 2.666 1.00 0.00 O ATOM 434 CB THR A 31 0.144 -13.118 3.010 1.00 0.00 C ATOM 435 OG1 THR A 31 1.468 -12.894 2.546 1.00 0.00 O ATOM 436 CG2 THR A 31 0.155 -14.221 4.069 1.00 0.00 C ATOM 0 H THR A 31 -0.953 -11.529 1.164 1.00 0.00 H new ATOM 0 HA THR A 31 -0.435 -14.506 1.426 1.00 0.00 H new ATOM 0 HB THR A 31 -0.250 -12.201 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.036 -12.620 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.785 -13.917 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.861 -14.394 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.548 -15.140 3.634 1.00 0.00 H new ATOM 444 N GLY A 32 -2.724 -14.886 2.227 1.00 0.00 N ATOM 445 CA GLY A 32 -4.140 -15.095 2.644 1.00 0.00 C ATOM 446 C GLY A 32 -4.294 -14.779 4.133 1.00 0.00 C ATOM 447 O GLY A 32 -5.270 -14.189 4.553 1.00 0.00 O ATOM 0 H GLY A 32 -2.236 -15.725 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.800 -14.456 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.438 -16.125 2.449 1.00 0.00 H new ATOM 451 N VAL A 33 -3.343 -15.168 4.937 1.00 0.00 N ATOM 452 CA VAL A 33 -3.444 -14.888 6.399 1.00 0.00 C ATOM 453 C VAL A 33 -2.221 -14.100 6.877 1.00 0.00 C ATOM 454 O VAL A 33 -1.094 -14.456 6.598 1.00 0.00 O ATOM 455 CB VAL A 33 -3.486 -16.265 7.061 1.00 0.00 C ATOM 456 CG1 VAL A 33 -3.306 -16.112 8.572 1.00 0.00 C ATOM 457 CG2 VAL A 33 -4.836 -16.928 6.772 1.00 0.00 C ATOM 0 H VAL A 33 -2.502 -15.667 4.647 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.320 -14.288 6.644 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.683 -16.885 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.336 -17.094 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.345 -15.640 8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.108 -15.492 8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.867 -17.910 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.639 -16.308 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.964 -17.038 5.695 1.00 0.00 H new ATOM 467 N LYS A 34 -2.435 -13.032 7.597 1.00 0.00 N ATOM 468 CA LYS A 34 -1.284 -12.224 8.092 1.00 0.00 C ATOM 469 C LYS A 34 -0.432 -13.048 9.064 1.00 0.00 C ATOM 470 O LYS A 34 0.780 -13.015 9.018 1.00 0.00 O ATOM 471 CB LYS A 34 -1.916 -11.027 8.805 1.00 0.00 C ATOM 472 CG LYS A 34 -2.603 -10.129 7.774 1.00 0.00 C ATOM 473 CD LYS A 34 -3.238 -8.929 8.479 1.00 0.00 C ATOM 474 CE LYS A 34 -3.905 -8.022 7.442 1.00 0.00 C ATOM 475 NZ LYS A 34 -4.487 -6.899 8.230 1.00 0.00 N ATOM 0 H LYS A 34 -3.356 -12.684 7.864 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.622 -11.912 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.639 -11.370 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.153 -10.465 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.879 -9.787 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.365 -10.693 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.974 -9.269 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.479 -8.373 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.182 -7.659 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.676 -8.557 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.827 -6.160 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.281 -7.251 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.759 -6.501 8.857 1.00 0.00 H new ATOM 489 N ARG A 35 -1.057 -13.790 9.938 1.00 0.00 N ATOM 490 CA ARG A 35 -0.276 -14.616 10.905 1.00 0.00 C ATOM 491 C ARG A 35 0.173 -15.922 10.243 1.00 0.00 C ATOM 492 O ARG A 35 0.000 -16.963 10.855 1.00 0.00 O ATOM 493 CB ARG A 35 -1.239 -14.904 12.057 1.00 0.00 C ATOM 494 CG ARG A 35 -1.478 -13.623 12.858 1.00 0.00 C ATOM 495 CD ARG A 35 -2.522 -13.889 13.944 1.00 0.00 C ATOM 496 NE ARG A 35 -1.910 -14.932 14.820 1.00 0.00 N ATOM 497 CZ ARG A 35 -1.082 -14.604 15.782 1.00 0.00 C ATOM 498 NH1 ARG A 35 -0.722 -13.358 15.970 1.00 0.00 N ATOM 499 NH2 ARG A 35 -0.594 -15.537 16.554 1.00 0.00 N ATOM 500 OXT ARG A 35 0.684 -15.858 9.137 1.00 0.00 O ATOM 0 H ARG A 35 -2.071 -13.860 10.025 1.00 0.00 H new ATOM 0 HA ARG A 35 0.624 -14.105 11.247 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.184 -15.284 11.668 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.827 -15.678 12.704 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.546 -13.284 13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.820 -12.826 12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.746 -12.983 14.507 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.461 -14.237 13.513 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.140 -15.914 14.668 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.087 -12.624 15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.077 -13.122 16.724 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.858 -16.511 16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.051 -15.292 17.305 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.476 1.121 4.425 1.00 0.00 ZN