USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=4 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc=0.000643 USER MOD Single : A 9 THR OG1 : rot -82:sc= -0.25 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 14 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.8!) 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 -95:sc= -0.354 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 59:sc= 0.518 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.553 -11.594 -2.353 1.00 0.00 N ATOM 2 CA ALA A 1 -11.608 -11.235 -0.906 1.00 0.00 C ATOM 3 C ALA A 1 -10.203 -10.929 -0.381 1.00 0.00 C ATOM 4 O ALA A 1 -9.502 -11.803 0.090 1.00 0.00 O ATOM 5 CB ALA A 1 -12.182 -12.471 -0.212 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.513 -11.799 -2.696 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.155 -10.799 -2.893 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.953 -12.434 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.214 -10.347 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.254 -12.286 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.174 -12.685 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.528 -13.325 -0.390 1.00 0.00 H new ATOM 11 N ILE A 2 -9.788 -9.694 -0.455 1.00 0.00 N ATOM 12 CA ILE A 2 -8.431 -9.331 0.043 1.00 0.00 C ATOM 13 C ILE A 2 -8.548 -8.531 1.343 1.00 0.00 C ATOM 14 O ILE A 2 -9.246 -7.539 1.412 1.00 0.00 O ATOM 15 CB ILE A 2 -7.816 -8.470 -1.061 1.00 0.00 C ATOM 16 CG1 ILE A 2 -7.792 -9.260 -2.371 1.00 0.00 C ATOM 17 CG2 ILE A 2 -6.387 -8.085 -0.674 1.00 0.00 C ATOM 18 CD1 ILE A 2 -6.954 -10.528 -2.192 1.00 0.00 C ATOM 0 H ILE A 2 -10.330 -8.920 -0.839 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.822 -10.209 0.259 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.413 -7.567 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.808 -9.522 -2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.375 -8.646 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.950 -7.471 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.402 -7.522 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.790 -8.987 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.939 -11.089 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.936 -10.255 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.390 -11.144 -1.406 1.00 0.00 H new ATOM 30 N GLY A 3 -7.872 -8.956 2.374 1.00 0.00 N ATOM 31 CA GLY A 3 -7.948 -8.219 3.666 1.00 0.00 C ATOM 32 C GLY A 3 -7.034 -6.994 3.606 1.00 0.00 C ATOM 33 O GLY A 3 -6.281 -6.817 2.670 1.00 0.00 O ATOM 0 H GLY A 3 -7.271 -9.780 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.975 -7.911 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.648 -8.870 4.487 1.00 0.00 H new ATOM 37 N THR A 4 -7.091 -6.149 4.598 1.00 0.00 N ATOM 38 CA THR A 4 -6.220 -4.939 4.591 1.00 0.00 C ATOM 39 C THR A 4 -4.817 -5.301 5.080 1.00 0.00 C ATOM 40 O THR A 4 -4.611 -6.331 5.693 1.00 0.00 O ATOM 41 CB THR A 4 -6.891 -3.962 5.560 1.00 0.00 C ATOM 42 OG1 THR A 4 -6.947 -4.549 6.853 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.308 -3.648 5.075 1.00 0.00 C ATOM 0 H THR A 4 -7.700 -6.243 5.411 1.00 0.00 H new ATOM 0 HA THR A 4 -6.111 -4.512 3.594 1.00 0.00 H new ATOM 0 HB THR A 4 -6.315 -3.038 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.374 -3.926 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.783 -2.952 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.262 -3.199 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.889 -4.569 5.030 1.00 0.00 H new ATOM 51 N TRP A 5 -3.849 -4.470 4.812 1.00 0.00 N ATOM 52 CA TRP A 5 -2.463 -4.782 5.264 1.00 0.00 C ATOM 53 C TRP A 5 -1.702 -3.499 5.618 1.00 0.00 C ATOM 54 O TRP A 5 -1.993 -2.430 5.123 1.00 0.00 O ATOM 55 CB TRP A 5 -1.816 -5.493 4.074 1.00 0.00 C ATOM 56 CG TRP A 5 -1.611 -4.521 2.957 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.552 -4.167 2.055 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.410 -3.779 2.598 1.00 0.00 C ATOM 59 NE1 TRP A 5 -2.006 -3.255 1.173 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.695 -2.985 1.464 1.00 0.00 C ATOM 61 CE3 TRP A 5 0.883 -3.713 3.137 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.261 -2.159 0.886 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.848 -2.880 2.555 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.536 -2.105 1.432 1.00 0.00 C ATOM 0 H TRP A 5 -3.955 -3.593 4.302 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.452 -5.397 6.164 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.861 -5.926 4.372 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.449 -6.316 3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.566 -4.537 2.028 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.518 -2.833 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.136 -4.306 4.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.014 -1.564 0.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.841 -2.836 2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.286 -1.466 0.991 1.00 0.00 H new ATOM 75 N ASP A 6 -0.717 -3.606 6.466 1.00 0.00 N ATOM 76 CA ASP A 6 0.078 -2.399 6.848 1.00 0.00 C ATOM 77 C ASP A 6 1.570 -2.740 6.847 1.00 0.00 C ATOM 78 O ASP A 6 1.960 -3.861 7.104 1.00 0.00 O ATOM 79 CB ASP A 6 -0.389 -2.007 8.260 1.00 0.00 C ATOM 80 CG ASP A 6 -1.809 -1.439 8.195 1.00 0.00 C ATOM 81 OD1 ASP A 6 -2.238 -1.084 7.111 1.00 0.00 O ATOM 82 OD2 ASP A 6 -2.444 -1.367 9.235 1.00 0.00 O ATOM 0 H ASP A 6 -0.426 -4.476 6.912 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.070 -1.578 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.365 -2.877 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.290 -1.268 8.686 1.00 0.00 H new ATOM 87 N CYS A 7 2.407 -1.784 6.554 1.00 0.00 N ATOM 88 CA CYS A 7 3.871 -2.057 6.531 1.00 0.00 C ATOM 89 C CYS A 7 4.461 -1.864 7.930 1.00 0.00 C ATOM 90 O CYS A 7 4.382 -0.797 8.506 1.00 0.00 O ATOM 91 CB CYS A 7 4.437 -1.030 5.550 1.00 0.00 C ATOM 92 SG CYS A 7 6.083 -1.545 5.009 1.00 0.00 S ATOM 0 H CYS A 7 2.140 -0.825 6.329 1.00 0.00 H new ATOM 0 HA CYS A 7 4.107 -3.078 6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.775 -0.932 4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.490 -0.050 6.025 1.00 0.00 H new ATOM 97 N ASP A 8 5.046 -2.891 8.484 1.00 0.00 N ATOM 98 CA ASP A 8 5.634 -2.759 9.856 1.00 0.00 C ATOM 99 C ASP A 8 7.130 -2.432 9.777 1.00 0.00 C ATOM 100 O ASP A 8 7.767 -2.175 10.778 1.00 0.00 O ATOM 101 CB ASP A 8 5.424 -4.115 10.538 1.00 0.00 C ATOM 102 CG ASP A 8 3.960 -4.534 10.396 1.00 0.00 C ATOM 103 OD1 ASP A 8 3.123 -3.656 10.260 1.00 0.00 O ATOM 104 OD2 ASP A 8 3.699 -5.725 10.423 1.00 0.00 O ATOM 0 H ASP A 8 5.144 -3.810 8.053 1.00 0.00 H new ATOM 0 HA ASP A 8 5.159 -1.950 10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.074 -4.865 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.695 -4.050 11.592 1.00 0.00 H new ATOM 109 N THR A 9 7.699 -2.434 8.602 1.00 0.00 N ATOM 110 CA THR A 9 9.151 -2.116 8.491 1.00 0.00 C ATOM 111 C THR A 9 9.372 -0.613 8.678 1.00 0.00 C ATOM 112 O THR A 9 10.456 -0.173 9.008 1.00 0.00 O ATOM 113 CB THR A 9 9.555 -2.556 7.082 1.00 0.00 C ATOM 114 OG1 THR A 9 8.660 -1.990 6.134 1.00 0.00 O ATOM 115 CG2 THR A 9 9.507 -4.082 6.985 1.00 0.00 C ATOM 0 H THR A 9 7.226 -2.640 7.722 1.00 0.00 H new ATOM 0 HA THR A 9 9.746 -2.622 9.252 1.00 0.00 H new ATOM 0 HB THR A 9 10.569 -2.214 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.845 -2.532 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.795 -4.392 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.196 -4.515 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.495 -4.428 7.195 1.00 0.00 H new ATOM 123 N CYS A 10 8.353 0.177 8.471 1.00 0.00 N ATOM 124 CA CYS A 10 8.504 1.651 8.640 1.00 0.00 C ATOM 125 C CYS A 10 7.250 2.254 9.290 1.00 0.00 C ATOM 126 O CYS A 10 6.999 3.439 9.197 1.00 0.00 O ATOM 127 CB CYS A 10 8.707 2.184 7.224 1.00 0.00 C ATOM 128 SG CYS A 10 7.122 2.207 6.359 1.00 0.00 S ATOM 0 H CYS A 10 7.423 -0.135 8.192 1.00 0.00 H new ATOM 0 HA CYS A 10 9.336 1.912 9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.130 3.188 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.418 1.557 6.686 1.00 0.00 H new ATOM 133 N LEU A 11 6.473 1.443 9.961 1.00 0.00 N ATOM 134 CA LEU A 11 5.244 1.951 10.646 1.00 0.00 C ATOM 135 C LEU A 11 4.322 2.701 9.671 1.00 0.00 C ATOM 136 O LEU A 11 3.998 3.853 9.873 1.00 0.00 O ATOM 137 CB LEU A 11 5.771 2.899 11.726 1.00 0.00 C ATOM 138 CG LEU A 11 6.577 2.103 12.753 1.00 0.00 C ATOM 139 CD1 LEU A 11 7.315 3.069 13.681 1.00 0.00 C ATOM 140 CD2 LEU A 11 5.633 1.226 13.580 1.00 0.00 C ATOM 0 H LEU A 11 6.638 0.442 10.065 1.00 0.00 H new ATOM 0 HA LEU A 11 4.644 1.138 11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.396 3.670 11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.940 3.408 12.215 1.00 0.00 H new ATOM 0 HG LEU A 11 7.298 1.471 12.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.890 2.502 14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.989 3.693 13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.592 3.701 14.197 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.210 0.660 14.311 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.910 1.857 14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.106 0.536 12.921 1.00 0.00 H new ATOM 152 N VAL A 12 3.887 2.048 8.628 1.00 0.00 N ATOM 153 CA VAL A 12 2.967 2.707 7.650 1.00 0.00 C ATOM 154 C VAL A 12 1.771 1.798 7.352 1.00 0.00 C ATOM 155 O VAL A 12 1.920 0.609 7.155 1.00 0.00 O ATOM 156 CB VAL A 12 3.803 2.936 6.393 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.879 3.248 5.214 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.737 4.126 6.624 1.00 0.00 C ATOM 0 H VAL A 12 4.129 1.082 8.408 1.00 0.00 H new ATOM 0 HA VAL A 12 2.563 3.643 8.035 1.00 0.00 H new ATOM 0 HB VAL A 12 4.385 2.041 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.476 3.411 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.201 2.410 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.300 4.145 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.338 4.296 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.146 5.016 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.394 3.915 7.468 1.00 0.00 H new ATOM 168 N GLN A 13 0.586 2.344 7.322 1.00 0.00 N ATOM 169 CA GLN A 13 -0.620 1.508 7.044 1.00 0.00 C ATOM 170 C GLN A 13 -1.093 1.718 5.601 1.00 0.00 C ATOM 171 O GLN A 13 -1.199 2.833 5.133 1.00 0.00 O ATOM 172 CB GLN A 13 -1.674 2.011 8.030 1.00 0.00 C ATOM 173 CG GLN A 13 -1.228 1.693 9.459 1.00 0.00 C ATOM 174 CD GLN A 13 -2.252 2.247 10.452 1.00 0.00 C ATOM 175 OE1 GLN A 13 -3.278 2.767 10.059 1.00 0.00 O ATOM 176 NE2 GLN A 13 -2.018 2.157 11.734 1.00 0.00 N ATOM 0 H GLN A 13 0.399 3.335 7.478 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.422 0.442 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.815 3.085 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.635 1.539 7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.128 0.615 9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.248 2.130 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.158 1.721 12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.696 2.523 12.403 1.00 0.00 H new ATOM 185 N ASN A 14 -1.393 0.657 4.894 1.00 0.00 N ATOM 186 CA ASN A 14 -1.871 0.818 3.483 1.00 0.00 C ATOM 187 C ASN A 14 -3.089 -0.075 3.224 1.00 0.00 C ATOM 188 O ASN A 14 -3.009 -1.285 3.276 1.00 0.00 O ATOM 189 CB ASN A 14 -0.696 0.402 2.584 1.00 0.00 C ATOM 190 CG ASN A 14 0.430 1.433 2.704 1.00 0.00 C ATOM 191 OD1 ASN A 14 0.222 2.520 3.201 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.621 1.140 2.257 1.00 0.00 N ATOM 0 H ASN A 14 -1.329 -0.305 5.227 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.179 1.844 3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.333 -0.584 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.026 0.327 1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.374 1.824 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.798 0.227 1.839 1.00 0.00 H new ATOM 199 N LYS A 15 -4.215 0.514 2.938 1.00 0.00 N ATOM 200 CA LYS A 15 -5.437 -0.300 2.673 1.00 0.00 C ATOM 201 C LYS A 15 -5.302 -1.054 1.346 1.00 0.00 C ATOM 202 O LYS A 15 -4.329 -0.894 0.636 1.00 0.00 O ATOM 203 CB LYS A 15 -6.571 0.721 2.599 1.00 0.00 C ATOM 204 CG LYS A 15 -7.344 0.715 3.916 1.00 0.00 C ATOM 205 CD LYS A 15 -7.015 1.985 4.705 1.00 0.00 C ATOM 206 CE LYS A 15 -7.399 3.215 3.880 1.00 0.00 C ATOM 207 NZ LYS A 15 -8.628 3.746 4.531 1.00 0.00 N ATOM 0 H LYS A 15 -4.344 1.524 2.876 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.609 -1.053 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.168 1.715 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.238 0.481 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.415 0.662 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.082 -0.167 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.554 1.987 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.952 2.012 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.600 3.956 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.586 2.950 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.953 4.592 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.373 3.021 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.417 3.996 5.518 1.00 0.00 H new ATOM 221 N PRO A 16 -6.295 -1.852 1.054 1.00 0.00 N ATOM 222 CA PRO A 16 -6.299 -2.642 -0.204 1.00 0.00 C ATOM 223 C PRO A 16 -6.099 -1.721 -1.411 1.00 0.00 C ATOM 224 O PRO A 16 -5.521 -2.107 -2.409 1.00 0.00 O ATOM 225 CB PRO A 16 -7.688 -3.276 -0.236 1.00 0.00 C ATOM 226 CG PRO A 16 -8.157 -3.267 1.184 1.00 0.00 C ATOM 227 CD PRO A 16 -7.492 -2.099 1.864 1.00 0.00 C ATOM 0 HA PRO A 16 -5.499 -3.382 -0.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.364 -2.711 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.648 -4.291 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.242 -3.173 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.897 -4.201 1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.145 -1.226 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.234 -2.332 2.897 1.00 0.00 H new ATOM 235 N GLU A 17 -6.577 -0.511 -1.331 1.00 0.00 N ATOM 236 CA GLU A 17 -6.420 0.432 -2.476 1.00 0.00 C ATOM 237 C GLU A 17 -4.941 0.748 -2.715 1.00 0.00 C ATOM 238 O GLU A 17 -4.506 0.915 -3.836 1.00 0.00 O ATOM 239 CB GLU A 17 -7.179 1.694 -2.060 1.00 0.00 C ATOM 240 CG GLU A 17 -8.678 1.395 -2.016 1.00 0.00 C ATOM 241 CD GLU A 17 -9.431 2.624 -1.505 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.779 3.606 -1.196 1.00 0.00 O ATOM 243 OE2 GLU A 17 -10.647 2.560 -1.431 1.00 0.00 O ATOM 0 H GLU A 17 -7.070 -0.133 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.804 0.012 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.836 2.032 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.979 2.501 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.035 1.125 -3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.870 0.542 -1.365 1.00 0.00 H new ATOM 250 N ALA A 18 -4.164 0.835 -1.671 1.00 0.00 N ATOM 251 CA ALA A 18 -2.715 1.144 -1.847 1.00 0.00 C ATOM 252 C ALA A 18 -2.036 0.066 -2.698 1.00 0.00 C ATOM 253 O ALA A 18 -2.647 -0.912 -3.079 1.00 0.00 O ATOM 254 CB ALA A 18 -2.140 1.158 -0.434 1.00 0.00 C ATOM 0 H ALA A 18 -4.468 0.706 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.556 2.092 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.074 1.379 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.645 1.922 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.290 0.183 0.029 1.00 0.00 H new ATOM 260 N VAL A 19 -0.774 0.237 -2.994 1.00 0.00 N ATOM 261 CA VAL A 19 -0.050 -0.773 -3.817 1.00 0.00 C ATOM 262 C VAL A 19 1.448 -0.668 -3.539 1.00 0.00 C ATOM 263 O VAL A 19 2.133 -1.657 -3.369 1.00 0.00 O ATOM 264 CB VAL A 19 -0.355 -0.407 -5.271 1.00 0.00 C ATOM 265 CG1 VAL A 19 0.576 -1.187 -6.201 1.00 0.00 C ATOM 266 CG2 VAL A 19 -1.807 -0.766 -5.596 1.00 0.00 C ATOM 0 H VAL A 19 -0.213 1.036 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.357 -1.795 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.202 0.663 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.358 -0.926 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.612 -0.935 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.422 -2.256 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.023 -0.505 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.958 -1.836 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.475 -0.213 -4.935 1.00 0.00 H new ATOM 276 N LYS A 20 1.956 0.533 -3.473 1.00 0.00 N ATOM 277 CA LYS A 20 3.408 0.711 -3.180 1.00 0.00 C ATOM 278 C LYS A 20 3.584 1.694 -2.020 1.00 0.00 C ATOM 279 O LYS A 20 3.384 2.884 -2.157 1.00 0.00 O ATOM 280 CB LYS A 20 4.046 1.260 -4.463 1.00 0.00 C ATOM 281 CG LYS A 20 3.937 0.216 -5.575 1.00 0.00 C ATOM 282 CD LYS A 20 4.561 0.768 -6.858 1.00 0.00 C ATOM 283 CE LYS A 20 4.472 -0.284 -7.965 1.00 0.00 C ATOM 284 NZ LYS A 20 5.098 0.360 -9.154 1.00 0.00 N ATOM 0 H LYS A 20 1.430 1.397 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 20 3.879 -0.227 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.547 2.181 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.092 1.508 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.444 -0.702 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.891 -0.039 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.044 1.677 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.602 1.038 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.999 -1.197 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.437 -0.562 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.076 -0.299 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.571 1.223 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.084 0.607 -8.936 1.00 0.00 H new ATOM 298 N CYS A 21 3.944 1.188 -0.875 1.00 0.00 N ATOM 299 CA CYS A 21 4.122 2.063 0.325 1.00 0.00 C ATOM 300 C CYS A 21 4.925 3.323 -0.020 1.00 0.00 C ATOM 301 O CYS A 21 5.922 3.282 -0.705 1.00 0.00 O ATOM 302 CB CYS A 21 4.882 1.195 1.340 1.00 0.00 C ATOM 303 SG CYS A 21 4.848 1.967 2.976 1.00 0.00 S ATOM 0 H CYS A 21 4.125 0.197 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 21 3.166 2.412 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.433 0.203 1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.914 1.062 1.015 1.00 0.00 H new ATOM 308 N VAL A 22 4.474 4.450 0.446 1.00 0.00 N ATOM 309 CA VAL A 22 5.185 5.731 0.155 1.00 0.00 C ATOM 310 C VAL A 22 6.538 5.786 0.876 1.00 0.00 C ATOM 311 O VAL A 22 7.530 6.223 0.327 1.00 0.00 O ATOM 312 CB VAL A 22 4.261 6.817 0.697 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.949 8.178 0.579 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.959 6.831 -0.107 1.00 0.00 C ATOM 0 H VAL A 22 3.637 4.544 1.021 1.00 0.00 H new ATOM 0 HA VAL A 22 5.393 5.846 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 22 4.037 6.613 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.289 8.954 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.875 8.169 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.174 8.382 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.300 7.607 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.181 7.034 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.468 5.862 -0.021 1.00 0.00 H new ATOM 324 N ALA A 23 6.571 5.381 2.116 1.00 0.00 N ATOM 325 CA ALA A 23 7.841 5.440 2.900 1.00 0.00 C ATOM 326 C ALA A 23 8.936 4.553 2.296 1.00 0.00 C ATOM 327 O ALA A 23 10.098 4.907 2.298 1.00 0.00 O ATOM 328 CB ALA A 23 7.461 4.936 4.292 1.00 0.00 C ATOM 0 H ALA A 23 5.769 5.009 2.624 1.00 0.00 H new ATOM 0 HA ALA A 23 8.251 6.450 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.341 4.947 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.693 5.583 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.078 3.918 4.218 1.00 0.00 H new ATOM 334 N CYS A 24 8.588 3.402 1.798 1.00 0.00 N ATOM 335 CA CYS A 24 9.637 2.503 1.221 1.00 0.00 C ATOM 336 C CYS A 24 9.033 1.538 0.194 1.00 0.00 C ATOM 337 O CYS A 24 9.570 0.475 -0.050 1.00 0.00 O ATOM 338 CB CYS A 24 10.175 1.726 2.420 1.00 0.00 C ATOM 339 SG CYS A 24 8.884 0.612 3.028 1.00 0.00 S ATOM 0 H CYS A 24 7.634 3.042 1.763 1.00 0.00 H new ATOM 0 HA CYS A 24 10.411 3.064 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.059 1.157 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.480 2.414 3.208 1.00 0.00 H new ATOM 344 N GLU A 25 7.933 1.915 -0.403 1.00 0.00 N ATOM 345 CA GLU A 25 7.253 1.051 -1.428 1.00 0.00 C ATOM 346 C GLU A 25 7.402 -0.443 -1.109 1.00 0.00 C ATOM 347 O GLU A 25 8.369 -1.077 -1.482 1.00 0.00 O ATOM 348 CB GLU A 25 7.943 1.392 -2.749 1.00 0.00 C ATOM 349 CG GLU A 25 7.592 2.828 -3.147 1.00 0.00 C ATOM 350 CD GLU A 25 8.356 3.212 -4.415 1.00 0.00 C ATOM 351 OE1 GLU A 25 9.096 2.378 -4.913 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.189 4.332 -4.867 1.00 0.00 O ATOM 0 H GLU A 25 7.464 2.803 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 25 6.180 1.239 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.023 1.284 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.626 0.699 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.519 2.917 -3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.845 3.512 -2.337 1.00 0.00 H new ATOM 359 N THR A 26 6.442 -1.005 -0.428 1.00 0.00 N ATOM 360 CA THR A 26 6.507 -2.454 -0.085 1.00 0.00 C ATOM 361 C THR A 26 6.460 -3.300 -1.356 1.00 0.00 C ATOM 362 O THR A 26 5.801 -2.941 -2.312 1.00 0.00 O ATOM 363 CB THR A 26 5.265 -2.699 0.780 1.00 0.00 C ATOM 364 OG1 THR A 26 5.311 -1.845 1.914 1.00 0.00 O ATOM 365 CG2 THR A 26 5.231 -4.156 1.240 1.00 0.00 C ATOM 0 H THR A 26 5.610 -0.520 -0.092 1.00 0.00 H new ATOM 0 HA THR A 26 7.427 -2.723 0.433 1.00 0.00 H new ATOM 0 HB THR A 26 4.369 -2.489 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.709 -2.326 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.346 -4.323 1.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.198 -4.812 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.125 -4.374 1.825 1.00 0.00 H new ATOM 373 N PRO A 27 7.158 -4.407 -1.324 1.00 0.00 N ATOM 374 CA PRO A 27 7.189 -5.319 -2.490 1.00 0.00 C ATOM 375 C PRO A 27 5.935 -6.204 -2.520 1.00 0.00 C ATOM 376 O PRO A 27 6.016 -7.392 -2.754 1.00 0.00 O ATOM 377 CB PRO A 27 8.432 -6.168 -2.239 1.00 0.00 C ATOM 378 CG PRO A 27 8.613 -6.167 -0.752 1.00 0.00 C ATOM 379 CD PRO A 27 7.980 -4.906 -0.215 1.00 0.00 C ATOM 0 HA PRO A 27 7.213 -4.791 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.301 -7.181 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.303 -5.749 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.147 -7.047 -0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.672 -6.203 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.374 -5.111 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.735 -4.177 0.079 1.00 0.00 H new ATOM 387 N LYS A 28 4.777 -5.636 -2.284 1.00 0.00 N ATOM 388 CA LYS A 28 3.530 -6.458 -2.305 1.00 0.00 C ATOM 389 C LYS A 28 3.485 -7.334 -3.567 1.00 0.00 C ATOM 390 O LYS A 28 3.407 -8.543 -3.471 1.00 0.00 O ATOM 391 CB LYS A 28 2.378 -5.452 -2.300 1.00 0.00 C ATOM 392 CG LYS A 28 1.993 -5.128 -0.854 1.00 0.00 C ATOM 393 CD LYS A 28 0.709 -5.876 -0.483 1.00 0.00 C ATOM 394 CE LYS A 28 0.963 -7.384 -0.544 1.00 0.00 C ATOM 395 NZ LYS A 28 -0.128 -7.995 0.268 1.00 0.00 N ATOM 0 H LYS A 28 4.643 -4.646 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 28 3.474 -7.135 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.673 -4.542 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.520 -5.862 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.800 -5.414 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.846 -4.054 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.385 -5.591 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.094 -5.603 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.940 -7.746 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.943 -7.635 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.020 -9.029 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.077 -7.637 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.049 -7.745 -0.145 1.00 0.00 H new ATOM 409 N PRO A 29 3.539 -6.700 -4.712 1.00 0.00 N ATOM 410 CA PRO A 29 3.507 -7.452 -5.992 1.00 0.00 C ATOM 411 C PRO A 29 4.773 -8.297 -6.147 1.00 0.00 C ATOM 412 O PRO A 29 5.809 -7.995 -5.587 1.00 0.00 O ATOM 413 CB PRO A 29 3.447 -6.362 -7.060 1.00 0.00 C ATOM 414 CG PRO A 29 3.968 -5.130 -6.392 1.00 0.00 C ATOM 415 CD PRO A 29 3.634 -5.251 -4.930 1.00 0.00 C ATOM 0 HA PRO A 29 2.668 -8.144 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.053 -6.626 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.427 -6.216 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.045 -5.039 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.512 -4.237 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.406 -4.802 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.697 -4.748 -4.691 1.00 0.00 H new ATOM 423 N GLY A 30 4.698 -9.357 -6.905 1.00 0.00 N ATOM 424 CA GLY A 30 5.895 -10.223 -7.100 1.00 0.00 C ATOM 425 C GLY A 30 6.002 -11.234 -5.955 1.00 0.00 C ATOM 426 O GLY A 30 7.045 -11.810 -5.723 1.00 0.00 O ATOM 0 H GLY A 30 3.858 -9.661 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.824 -10.747 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.795 -9.610 -7.140 1.00 0.00 H new ATOM 430 N THR A 31 4.934 -11.459 -5.238 1.00 0.00 N ATOM 431 CA THR A 31 4.986 -12.439 -4.116 1.00 0.00 C ATOM 432 C THR A 31 5.304 -13.837 -4.655 1.00 0.00 C ATOM 433 O THR A 31 6.122 -14.553 -4.111 1.00 0.00 O ATOM 434 CB THR A 31 3.588 -12.409 -3.499 1.00 0.00 C ATOM 435 OG1 THR A 31 3.334 -11.114 -2.973 1.00 0.00 O ATOM 436 CG2 THR A 31 3.500 -13.444 -2.375 1.00 0.00 C ATOM 0 H THR A 31 4.030 -11.008 -5.380 1.00 0.00 H new ATOM 0 HA THR A 31 5.758 -12.194 -3.387 1.00 0.00 H new ATOM 0 HB THR A 31 2.848 -12.644 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.404 -10.450 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.502 -13.421 -1.936 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.696 -14.437 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.239 -13.212 -1.608 1.00 0.00 H new ATOM 444 N GLY A 32 4.665 -14.229 -5.721 1.00 0.00 N ATOM 445 CA GLY A 32 4.929 -15.577 -6.295 1.00 0.00 C ATOM 446 C GLY A 32 4.142 -15.738 -7.596 1.00 0.00 C ATOM 447 O GLY A 32 3.552 -14.801 -8.094 1.00 0.00 O ATOM 0 H GLY A 32 3.970 -13.673 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.995 -15.701 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.639 -16.350 -5.584 1.00 0.00 H new ATOM 451 N VAL A 33 4.130 -16.918 -8.149 1.00 0.00 N ATOM 452 CA VAL A 33 3.381 -17.137 -9.420 1.00 0.00 C ATOM 453 C VAL A 33 1.886 -16.906 -9.197 1.00 0.00 C ATOM 454 O VAL A 33 1.209 -16.325 -10.023 1.00 0.00 O ATOM 455 CB VAL A 33 3.653 -18.594 -9.798 1.00 0.00 C ATOM 456 CG1 VAL A 33 5.161 -18.814 -9.933 1.00 0.00 C ATOM 457 CG2 VAL A 33 3.098 -19.521 -8.712 1.00 0.00 C ATOM 0 H VAL A 33 4.605 -17.740 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 33 3.693 -16.451 -10.207 1.00 0.00 H new ATOM 0 HB VAL A 33 3.166 -18.817 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.355 -19.852 -10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.556 -18.158 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.648 -18.588 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.293 -20.558 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.582 -19.298 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.023 -19.367 -8.617 1.00 0.00 H new ATOM 467 N LYS A 34 1.363 -17.356 -8.091 1.00 0.00 N ATOM 468 CA LYS A 34 -0.089 -17.159 -7.820 1.00 0.00 C ATOM 469 C LYS A 34 -0.379 -15.672 -7.600 1.00 0.00 C ATOM 470 O LYS A 34 0.301 -15.003 -6.847 1.00 0.00 O ATOM 471 CB LYS A 34 -0.363 -17.964 -6.549 1.00 0.00 C ATOM 472 CG LYS A 34 -1.866 -17.995 -6.268 1.00 0.00 C ATOM 473 CD LYS A 34 -2.136 -18.883 -5.050 1.00 0.00 C ATOM 474 CE LYS A 34 -3.640 -18.941 -4.779 1.00 0.00 C ATOM 475 NZ LYS A 34 -3.786 -19.845 -3.604 1.00 0.00 N ATOM 0 H LYS A 34 1.878 -17.852 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.720 -17.485 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.016 -18.980 -6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.165 -17.519 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.234 -16.985 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.402 -18.377 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.749 -19.887 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.614 -18.489 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.041 -17.950 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.182 -19.326 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.792 -19.935 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.402 -20.783 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.266 -19.450 -2.795 1.00 0.00 H new ATOM 489 N ARG A 35 -1.378 -15.144 -8.255 1.00 0.00 N ATOM 490 CA ARG A 35 -1.700 -13.697 -8.085 1.00 0.00 C ATOM 491 C ARG A 35 -2.828 -13.519 -7.063 1.00 0.00 C ATOM 492 O ARG A 35 -3.972 -13.434 -7.480 1.00 0.00 O ATOM 493 CB ARG A 35 -2.153 -13.229 -9.470 1.00 0.00 C ATOM 494 CG ARG A 35 -2.420 -11.723 -9.442 1.00 0.00 C ATOM 495 CD ARG A 35 -2.900 -11.261 -10.820 1.00 0.00 C ATOM 496 NE ARG A 35 -2.976 -9.774 -10.727 1.00 0.00 N ATOM 497 CZ ARG A 35 -4.024 -9.184 -10.203 1.00 0.00 C ATOM 498 NH1 ARG A 35 -5.006 -9.883 -9.690 1.00 0.00 N ATOM 499 NH2 ARG A 35 -4.079 -7.881 -10.171 1.00 0.00 N ATOM 500 OXT ARG A 35 -2.529 -13.470 -5.881 1.00 0.00 O ATOM 0 H ARG A 35 -1.984 -15.651 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.848 -13.125 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.387 -13.459 -10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.055 -13.763 -9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.171 -11.491 -8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.512 -11.188 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.208 -11.572 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.872 -11.691 -11.064 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.202 -9.208 -11.076 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.963 -10.902 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.814 -9.408 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.311 -7.329 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.890 -7.415 -9.765 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.682 0.813 4.273 1.00 0.00 ZN