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 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.88 K(o=-2.9,f=-5.8!) 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 -167:sc= 0.218 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.543 -8.597 9.784 1.00 0.00 N ATOM 2 CA ALA A 1 -6.859 -8.248 9.174 1.00 0.00 C ATOM 3 C ALA A 1 -6.706 -8.053 7.664 1.00 0.00 C ATOM 4 O ALA A 1 -5.966 -7.204 7.210 1.00 0.00 O ATOM 5 CB ALA A 1 -7.272 -6.939 9.845 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.659 -8.727 10.809 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.187 -9.478 9.361 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.864 -7.829 9.607 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.603 -9.032 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.234 -6.615 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.356 -7.092 10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.521 -6.175 9.645 1.00 0.00 H new ATOM 11 N ILE A 2 -7.400 -8.834 6.883 1.00 0.00 N ATOM 12 CA ILE A 2 -7.293 -8.694 5.402 1.00 0.00 C ATOM 13 C ILE A 2 -7.943 -7.385 4.945 1.00 0.00 C ATOM 14 O ILE A 2 -7.657 -6.878 3.879 1.00 0.00 O ATOM 15 CB ILE A 2 -8.044 -9.897 4.826 1.00 0.00 C ATOM 16 CG1 ILE A 2 -9.510 -9.850 5.266 1.00 0.00 C ATOM 17 CG2 ILE A 2 -7.402 -11.190 5.332 1.00 0.00 C ATOM 18 CD1 ILE A 2 -10.299 -10.930 4.523 1.00 0.00 C ATOM 0 H ILE A 2 -8.036 -9.563 7.205 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.256 -8.668 5.068 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.993 -9.866 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.583 -10.006 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.932 -8.867 5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.937 -12.047 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.360 -11.227 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.451 -11.219 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.343 -10.898 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.236 -10.753 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.881 -11.910 4.754 1.00 0.00 H new ATOM 30 N GLY A 3 -8.819 -6.835 5.743 1.00 0.00 N ATOM 31 CA GLY A 3 -9.486 -5.562 5.349 1.00 0.00 C ATOM 32 C GLY A 3 -8.437 -4.458 5.198 1.00 0.00 C ATOM 33 O GLY A 3 -8.509 -3.637 4.304 1.00 0.00 O ATOM 0 H GLY A 3 -9.100 -7.212 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.024 -5.697 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.222 -5.278 6.101 1.00 0.00 H new ATOM 37 N THR A 4 -7.462 -4.428 6.065 1.00 0.00 N ATOM 38 CA THR A 4 -6.410 -3.374 5.968 1.00 0.00 C ATOM 39 C THR A 4 -5.054 -3.944 6.391 1.00 0.00 C ATOM 40 O THR A 4 -4.978 -4.911 7.123 1.00 0.00 O ATOM 41 CB THR A 4 -6.854 -2.281 6.940 1.00 0.00 C ATOM 42 OG1 THR A 4 -5.851 -1.277 7.011 1.00 0.00 O ATOM 43 CG2 THR A 4 -7.071 -2.887 8.327 1.00 0.00 C ATOM 0 H THR A 4 -7.348 -5.086 6.836 1.00 0.00 H new ATOM 0 HA THR A 4 -6.296 -2.996 4.952 1.00 0.00 H new ATOM 0 HB THR A 4 -7.787 -1.839 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.135 -0.574 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.388 -2.107 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.841 -3.657 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.140 -3.330 8.680 1.00 0.00 H new ATOM 51 N TRP A 5 -3.982 -3.351 5.942 1.00 0.00 N ATOM 52 CA TRP A 5 -2.638 -3.864 6.331 1.00 0.00 C ATOM 53 C TRP A 5 -1.670 -2.701 6.558 1.00 0.00 C ATOM 54 O TRP A 5 -1.819 -1.631 5.997 1.00 0.00 O ATOM 55 CB TRP A 5 -2.180 -4.733 5.156 1.00 0.00 C ATOM 56 CG TRP A 5 -1.994 -3.887 3.936 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.980 -3.508 3.093 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.765 -3.320 3.399 1.00 0.00 C ATOM 59 NE1 TRP A 5 -2.432 -2.743 2.080 1.00 0.00 N ATOM 60 CE2 TRP A 5 -1.077 -2.598 2.223 1.00 0.00 C ATOM 61 CE3 TRP A 5 0.574 -3.357 3.811 1.00 0.00 C ATOM 62 CZ2 TRP A 5 -0.100 -1.940 1.483 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.560 -2.693 3.065 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.223 -1.986 1.905 1.00 0.00 C ATOM 0 H TRP A 5 -3.978 -2.538 5.326 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.670 -4.432 7.261 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.245 -5.235 5.407 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.917 -5.512 4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -4.025 -3.761 3.194 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.972 -2.335 1.317 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.848 -3.898 4.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.368 -1.398 0.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.590 -2.728 3.389 1.00 0.00 H new ATOM 0 HH2 TRP A 5 1.990 -1.477 1.339 1.00 0.00 H new ATOM 75 N ASP A 6 -0.673 -2.908 7.371 1.00 0.00 N ATOM 76 CA ASP A 6 0.315 -1.818 7.632 1.00 0.00 C ATOM 77 C ASP A 6 1.735 -2.363 7.477 1.00 0.00 C ATOM 78 O ASP A 6 2.004 -3.512 7.768 1.00 0.00 O ATOM 79 CB ASP A 6 0.064 -1.353 9.075 1.00 0.00 C ATOM 80 CG ASP A 6 -1.299 -0.664 9.158 1.00 0.00 C ATOM 81 OD1 ASP A 6 -1.875 -0.407 8.114 1.00 0.00 O ATOM 82 OD2 ASP A 6 -1.744 -0.407 10.264 1.00 0.00 O ATOM 0 H ASP A 6 -0.497 -3.782 7.867 1.00 0.00 H new ATOM 0 HA ASP A 6 0.205 -0.990 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.095 -2.205 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.850 -0.667 9.389 1.00 0.00 H new ATOM 87 N CYS A 7 2.645 -1.553 7.016 1.00 0.00 N ATOM 88 CA CYS A 7 4.045 -2.034 6.837 1.00 0.00 C ATOM 89 C CYS A 7 4.779 -2.044 8.182 1.00 0.00 C ATOM 90 O CYS A 7 5.009 -1.013 8.782 1.00 0.00 O ATOM 91 CB CYS A 7 4.689 -1.029 5.882 1.00 0.00 C ATOM 92 SG CYS A 7 6.151 -1.771 5.121 1.00 0.00 S ATOM 0 H CYS A 7 2.482 -0.580 6.755 1.00 0.00 H new ATOM 0 HA CYS A 7 4.085 -3.051 6.447 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.976 -0.734 5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.967 -0.124 6.423 1.00 0.00 H new ATOM 97 N ASP A 8 5.144 -3.203 8.656 1.00 0.00 N ATOM 98 CA ASP A 8 5.862 -3.283 9.967 1.00 0.00 C ATOM 99 C ASP A 8 7.289 -2.745 9.822 1.00 0.00 C ATOM 100 O ASP A 8 7.901 -2.315 10.779 1.00 0.00 O ATOM 101 CB ASP A 8 5.894 -4.771 10.338 1.00 0.00 C ATOM 102 CG ASP A 8 4.496 -5.369 10.168 1.00 0.00 C ATOM 103 OD1 ASP A 8 3.597 -4.931 10.866 1.00 0.00 O ATOM 104 OD2 ASP A 8 4.349 -6.252 9.340 1.00 0.00 O ATOM 0 H ASP A 8 4.978 -4.098 8.196 1.00 0.00 H new ATOM 0 HA ASP A 8 5.365 -2.688 10.733 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.607 -5.299 9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.231 -4.893 11.367 1.00 0.00 H new ATOM 109 N THR A 9 7.823 -2.771 8.633 1.00 0.00 N ATOM 110 CA THR A 9 9.212 -2.269 8.425 1.00 0.00 C ATOM 111 C THR A 9 9.302 -0.781 8.773 1.00 0.00 C ATOM 112 O THR A 9 10.216 -0.345 9.446 1.00 0.00 O ATOM 113 CB THR A 9 9.489 -2.489 6.938 1.00 0.00 C ATOM 114 OG1 THR A 9 9.440 -3.879 6.648 1.00 0.00 O ATOM 115 CG2 THR A 9 10.872 -1.940 6.585 1.00 0.00 C ATOM 0 H THR A 9 7.358 -3.118 7.794 1.00 0.00 H new ATOM 0 HA THR A 9 9.935 -2.783 9.059 1.00 0.00 H new ATOM 0 HB THR A 9 8.734 -1.968 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.616 -4.021 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.066 -2.098 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.907 -0.873 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.630 -2.457 7.174 1.00 0.00 H new ATOM 123 N CYS A 10 8.365 0.003 8.319 1.00 0.00 N ATOM 124 CA CYS A 10 8.401 1.464 8.622 1.00 0.00 C ATOM 125 C CYS A 10 7.087 1.922 9.275 1.00 0.00 C ATOM 126 O CYS A 10 6.821 3.101 9.397 1.00 0.00 O ATOM 127 CB CYS A 10 8.618 2.137 7.268 1.00 0.00 C ATOM 128 SG CYS A 10 7.075 2.118 6.331 1.00 0.00 S ATOM 0 H CYS A 10 7.575 -0.303 7.751 1.00 0.00 H new ATOM 0 HA CYS A 10 9.188 1.721 9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.957 3.163 7.410 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.399 1.618 6.713 1.00 0.00 H new ATOM 133 N LEU A 11 6.279 0.995 9.718 1.00 0.00 N ATOM 134 CA LEU A 11 4.996 1.362 10.391 1.00 0.00 C ATOM 135 C LEU A 11 4.201 2.406 9.595 1.00 0.00 C ATOM 136 O LEU A 11 4.272 3.590 9.861 1.00 0.00 O ATOM 137 CB LEU A 11 5.419 1.939 11.741 1.00 0.00 C ATOM 138 CG LEU A 11 4.179 2.213 12.592 1.00 0.00 C ATOM 139 CD1 LEU A 11 3.444 0.899 12.859 1.00 0.00 C ATOM 140 CD2 LEU A 11 4.604 2.838 13.922 1.00 0.00 C ATOM 0 H LEU A 11 6.453 -0.007 9.642 1.00 0.00 H new ATOM 0 HA LEU A 11 4.339 0.497 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.079 1.241 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.982 2.860 11.594 1.00 0.00 H new ATOM 0 HG LEU A 11 3.517 2.898 12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.560 1.094 13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.143 0.452 11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.105 0.214 13.390 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.721 3.034 14.530 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.265 2.152 14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.130 3.774 13.733 1.00 0.00 H new ATOM 152 N VAL A 12 3.416 1.971 8.647 1.00 0.00 N ATOM 153 CA VAL A 12 2.579 2.922 7.859 1.00 0.00 C ATOM 154 C VAL A 12 1.191 2.318 7.648 1.00 0.00 C ATOM 155 O VAL A 12 0.988 1.134 7.833 1.00 0.00 O ATOM 156 CB VAL A 12 3.290 3.125 6.523 1.00 0.00 C ATOM 157 CG1 VAL A 12 4.596 3.882 6.753 1.00 0.00 C ATOM 158 CG2 VAL A 12 3.586 1.771 5.872 1.00 0.00 C ATOM 0 H VAL A 12 3.318 0.991 8.382 1.00 0.00 H new ATOM 0 HA VAL A 12 2.453 3.875 8.373 1.00 0.00 H new ATOM 0 HB VAL A 12 2.646 3.701 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.105 4.028 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.380 4.852 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.237 3.308 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.093 1.928 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.225 1.183 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.651 1.237 5.701 1.00 0.00 H new ATOM 168 N GLN A 13 0.230 3.114 7.275 1.00 0.00 N ATOM 169 CA GLN A 13 -1.139 2.569 7.070 1.00 0.00 C ATOM 170 C GLN A 13 -1.491 2.526 5.579 1.00 0.00 C ATOM 171 O GLN A 13 -1.750 3.541 4.963 1.00 0.00 O ATOM 172 CB GLN A 13 -2.058 3.546 7.808 1.00 0.00 C ATOM 173 CG GLN A 13 -1.790 3.463 9.312 1.00 0.00 C ATOM 174 CD GLN A 13 -2.622 4.522 10.039 1.00 0.00 C ATOM 175 OE1 GLN A 13 -2.460 5.704 9.805 1.00 0.00 O ATOM 176 NE2 GLN A 13 -3.509 4.147 10.920 1.00 0.00 N ATOM 0 H GLN A 13 0.332 4.114 7.104 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.233 1.548 7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.886 4.562 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.101 3.308 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.043 2.470 9.683 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.730 3.618 9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.645 3.155 11.116 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.066 4.846 11.412 1.00 0.00 H new ATOM 185 N ASN A 14 -1.533 1.354 5.001 1.00 0.00 N ATOM 186 CA ASN A 14 -1.905 1.252 3.553 1.00 0.00 C ATOM 187 C ASN A 14 -3.070 0.272 3.401 1.00 0.00 C ATOM 188 O ASN A 14 -3.007 -0.855 3.851 1.00 0.00 O ATOM 189 CB ASN A 14 -0.666 0.738 2.799 1.00 0.00 C ATOM 190 CG ASN A 14 0.469 1.764 2.909 1.00 0.00 C ATOM 191 OD1 ASN A 14 0.306 2.800 3.523 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.615 1.528 2.321 1.00 0.00 N ATOM 0 H ASN A 14 -1.328 0.468 5.462 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.216 2.217 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.346 -0.218 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.912 0.564 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.369 2.213 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.754 0.659 1.805 1.00 0.00 H new ATOM 199 N LYS A 15 -4.135 0.694 2.782 1.00 0.00 N ATOM 200 CA LYS A 15 -5.306 -0.212 2.615 1.00 0.00 C ATOM 201 C LYS A 15 -5.078 -1.172 1.444 1.00 0.00 C ATOM 202 O LYS A 15 -4.081 -1.089 0.754 1.00 0.00 O ATOM 203 CB LYS A 15 -6.485 0.718 2.333 1.00 0.00 C ATOM 204 CG LYS A 15 -7.333 0.861 3.599 1.00 0.00 C ATOM 205 CD LYS A 15 -8.774 1.210 3.217 1.00 0.00 C ATOM 206 CE LYS A 15 -9.732 0.633 4.261 1.00 0.00 C ATOM 207 NZ LYS A 15 -10.964 1.463 4.154 1.00 0.00 N ATOM 0 H LYS A 15 -4.247 1.627 2.384 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.478 -0.832 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.123 1.695 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.091 0.319 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.312 -0.068 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.918 1.638 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.894 2.292 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.008 0.808 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.945 -0.417 4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.305 0.688 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.669 1.127 4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.732 2.457 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.352 1.385 3.192 1.00 0.00 H new ATOM 221 N PRO A 16 -6.021 -2.057 1.265 1.00 0.00 N ATOM 222 CA PRO A 16 -5.937 -3.057 0.170 1.00 0.00 C ATOM 223 C PRO A 16 -5.748 -2.358 -1.179 1.00 0.00 C ATOM 224 O PRO A 16 -5.113 -2.875 -2.075 1.00 0.00 O ATOM 225 CB PRO A 16 -7.288 -3.768 0.222 1.00 0.00 C ATOM 226 CG PRO A 16 -7.805 -3.530 1.605 1.00 0.00 C ATOM 227 CD PRO A 16 -7.241 -2.212 2.062 1.00 0.00 C ATOM 0 HA PRO A 16 -5.096 -3.741 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.972 -3.369 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.180 -4.834 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.895 -3.507 1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.500 -4.334 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.941 -1.395 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.023 -2.219 3.130 1.00 0.00 H new ATOM 235 N GLU A 17 -6.299 -1.186 -1.330 1.00 0.00 N ATOM 236 CA GLU A 17 -6.155 -0.453 -2.619 1.00 0.00 C ATOM 237 C GLU A 17 -4.696 -0.050 -2.836 1.00 0.00 C ATOM 238 O GLU A 17 -4.220 0.024 -3.951 1.00 0.00 O ATOM 239 CB GLU A 17 -7.041 0.784 -2.474 1.00 0.00 C ATOM 240 CG GLU A 17 -8.510 0.355 -2.429 1.00 0.00 C ATOM 241 CD GLU A 17 -9.394 1.579 -2.194 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.850 2.668 -2.104 1.00 0.00 O ATOM 243 OE2 GLU A 17 -10.598 1.408 -2.106 1.00 0.00 O ATOM 0 H GLU A 17 -6.844 -0.703 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.446 -1.061 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.781 1.326 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.875 1.464 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.786 -0.131 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.662 -0.374 -1.633 1.00 0.00 H new ATOM 250 N ALA A 18 -3.984 0.217 -1.775 1.00 0.00 N ATOM 251 CA ALA A 18 -2.557 0.620 -1.913 1.00 0.00 C ATOM 252 C ALA A 18 -1.806 -0.359 -2.819 1.00 0.00 C ATOM 253 O ALA A 18 -2.345 -1.350 -3.271 1.00 0.00 O ATOM 254 CB ALA A 18 -1.995 0.574 -0.493 1.00 0.00 C ATOM 0 H ALA A 18 -4.331 0.173 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.452 1.607 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.943 0.859 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.549 1.267 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.091 -0.437 -0.096 1.00 0.00 H new ATOM 260 N VAL A 19 -0.560 -0.083 -3.084 1.00 0.00 N ATOM 261 CA VAL A 19 0.245 -0.984 -3.957 1.00 0.00 C ATOM 262 C VAL A 19 1.733 -0.720 -3.730 1.00 0.00 C ATOM 263 O VAL A 19 2.541 -1.628 -3.695 1.00 0.00 O ATOM 264 CB VAL A 19 -0.153 -0.613 -5.387 1.00 0.00 C ATOM 265 CG1 VAL A 19 -1.173 -1.623 -5.914 1.00 0.00 C ATOM 266 CG2 VAL A 19 -0.770 0.786 -5.396 1.00 0.00 C ATOM 0 H VAL A 19 -0.061 0.733 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 19 0.065 -2.039 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 19 0.731 -0.626 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.455 -1.357 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.734 -2.621 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.058 -1.612 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.054 1.052 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.654 0.798 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.043 1.507 -5.022 1.00 0.00 H new ATOM 276 N LYS A 20 2.096 0.521 -3.560 1.00 0.00 N ATOM 277 CA LYS A 20 3.529 0.853 -3.313 1.00 0.00 C ATOM 278 C LYS A 20 3.646 1.718 -2.059 1.00 0.00 C ATOM 279 O LYS A 20 3.374 2.902 -2.077 1.00 0.00 O ATOM 280 CB LYS A 20 4.005 1.627 -4.550 1.00 0.00 C ATOM 281 CG LYS A 20 3.946 0.716 -5.777 1.00 0.00 C ATOM 282 CD LYS A 20 4.395 1.498 -7.012 1.00 0.00 C ATOM 283 CE LYS A 20 4.343 0.586 -8.240 1.00 0.00 C ATOM 284 NZ LYS A 20 4.778 1.447 -9.373 1.00 0.00 N ATOM 0 H LYS A 20 1.463 1.320 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 20 4.134 -0.040 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.378 2.505 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.023 1.985 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.588 -0.153 -5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.932 0.343 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.750 2.364 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.408 1.875 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.002 -0.274 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.337 0.198 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.769 0.893 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.128 2.254 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.741 1.796 -9.194 1.00 0.00 H new ATOM 298 N CYS A 21 4.037 1.126 -0.967 1.00 0.00 N ATOM 299 CA CYS A 21 4.164 1.894 0.306 1.00 0.00 C ATOM 300 C CYS A 21 4.923 3.209 0.075 1.00 0.00 C ATOM 301 O CYS A 21 5.954 3.250 -0.554 1.00 0.00 O ATOM 302 CB CYS A 21 4.931 0.966 1.257 1.00 0.00 C ATOM 303 SG CYS A 21 4.815 1.586 2.952 1.00 0.00 S ATOM 0 H CYS A 21 4.276 0.137 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 21 3.194 2.175 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.523 -0.043 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.976 0.904 0.954 1.00 0.00 H new ATOM 308 N VAL A 22 4.399 4.292 0.565 1.00 0.00 N ATOM 309 CA VAL A 22 5.070 5.610 0.365 1.00 0.00 C ATOM 310 C VAL A 22 6.397 5.685 1.131 1.00 0.00 C ATOM 311 O VAL A 22 7.386 6.189 0.634 1.00 0.00 O ATOM 312 CB VAL A 22 4.087 6.629 0.927 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.730 8.016 0.923 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.824 6.649 0.064 1.00 0.00 C ATOM 0 H VAL A 22 3.531 4.326 1.099 1.00 0.00 H new ATOM 0 HA VAL A 22 5.311 5.783 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 22 3.825 6.354 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.026 8.745 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.629 8.002 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.994 8.292 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.120 7.378 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.086 6.923 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.365 5.661 0.069 1.00 0.00 H new ATOM 324 N ALA A 23 6.413 5.225 2.351 1.00 0.00 N ATOM 325 CA ALA A 23 7.657 5.307 3.174 1.00 0.00 C ATOM 326 C ALA A 23 8.806 4.483 2.578 1.00 0.00 C ATOM 327 O ALA A 23 9.946 4.901 2.596 1.00 0.00 O ATOM 328 CB ALA A 23 7.255 4.750 4.539 1.00 0.00 C ATOM 0 H ALA A 23 5.615 4.793 2.818 1.00 0.00 H new ATOM 0 HA ALA A 23 8.028 6.331 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.114 4.774 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.452 5.357 4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.912 3.722 4.426 1.00 0.00 H new ATOM 334 N CYS A 24 8.529 3.318 2.069 1.00 0.00 N ATOM 335 CA CYS A 24 9.636 2.485 1.498 1.00 0.00 C ATOM 336 C CYS A 24 9.129 1.598 0.359 1.00 0.00 C ATOM 337 O CYS A 24 9.736 0.598 0.027 1.00 0.00 O ATOM 338 CB CYS A 24 10.114 1.623 2.664 1.00 0.00 C ATOM 339 SG CYS A 24 8.844 0.398 3.054 1.00 0.00 S ATOM 0 H CYS A 24 7.598 2.905 2.020 1.00 0.00 H new ATOM 0 HA CYS A 24 10.430 3.102 1.078 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.049 1.126 2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.315 2.247 3.535 1.00 0.00 H new ATOM 344 N GLU A 25 8.035 1.973 -0.241 1.00 0.00 N ATOM 345 CA GLU A 25 7.452 1.183 -1.377 1.00 0.00 C ATOM 346 C GLU A 25 7.635 -0.326 -1.197 1.00 0.00 C ATOM 347 O GLU A 25 8.644 -0.891 -1.571 1.00 0.00 O ATOM 348 CB GLU A 25 8.211 1.663 -2.614 1.00 0.00 C ATOM 349 CG GLU A 25 7.724 0.894 -3.842 1.00 0.00 C ATOM 350 CD GLU A 25 8.450 1.407 -5.087 1.00 0.00 C ATOM 351 OE1 GLU A 25 9.421 2.128 -4.927 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.021 1.070 -6.178 1.00 0.00 O ATOM 0 H GLU A 25 7.506 2.809 0.008 1.00 0.00 H new ATOM 0 HA GLU A 25 6.375 1.339 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.056 2.732 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.282 1.512 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.910 -0.172 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.647 1.018 -3.959 1.00 0.00 H new ATOM 359 N THR A 26 6.651 -0.983 -0.656 1.00 0.00 N ATOM 360 CA THR A 26 6.739 -2.456 -0.480 1.00 0.00 C ATOM 361 C THR A 26 6.220 -3.138 -1.742 1.00 0.00 C ATOM 362 O THR A 26 5.308 -2.645 -2.375 1.00 0.00 O ATOM 363 CB THR A 26 5.837 -2.769 0.716 1.00 0.00 C ATOM 364 OG1 THR A 26 6.330 -2.094 1.865 1.00 0.00 O ATOM 365 CG2 THR A 26 5.826 -4.276 0.975 1.00 0.00 C ATOM 0 H THR A 26 5.784 -0.560 -0.326 1.00 0.00 H new ATOM 0 HA THR A 26 7.757 -2.806 -0.311 1.00 0.00 H new ATOM 0 HB THR A 26 4.822 -2.435 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.884 -2.442 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.183 -4.494 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.448 -4.794 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.839 -4.616 1.189 1.00 0.00 H new ATOM 373 N PRO A 27 6.809 -4.253 -2.074 1.00 0.00 N ATOM 374 CA PRO A 27 6.379 -5.001 -3.277 1.00 0.00 C ATOM 375 C PRO A 27 5.086 -5.774 -2.997 1.00 0.00 C ATOM 376 O PRO A 27 4.973 -6.942 -3.311 1.00 0.00 O ATOM 377 CB PRO A 27 7.539 -5.958 -3.534 1.00 0.00 C ATOM 378 CG PRO A 27 8.202 -6.143 -2.204 1.00 0.00 C ATOM 379 CD PRO A 27 7.915 -4.915 -1.374 1.00 0.00 C ATOM 0 HA PRO A 27 6.166 -4.355 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.184 -6.909 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.234 -5.546 -4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.823 -7.037 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.276 -6.279 -2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.638 -5.181 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.789 -4.267 -1.308 1.00 0.00 H new ATOM 387 N LYS A 28 4.109 -5.135 -2.405 1.00 0.00 N ATOM 388 CA LYS A 28 2.831 -5.844 -2.107 1.00 0.00 C ATOM 389 C LYS A 28 1.651 -5.115 -2.757 1.00 0.00 C ATOM 390 O LYS A 28 0.947 -4.368 -2.105 1.00 0.00 O ATOM 391 CB LYS A 28 2.709 -5.808 -0.583 1.00 0.00 C ATOM 392 CG LYS A 28 3.134 -7.157 -0.002 1.00 0.00 C ATOM 393 CD LYS A 28 2.147 -8.237 -0.445 1.00 0.00 C ATOM 394 CE LYS A 28 2.918 -9.472 -0.915 1.00 0.00 C ATOM 395 NZ LYS A 28 1.871 -10.420 -1.387 1.00 0.00 N ATOM 0 H LYS A 28 4.142 -4.157 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 28 2.824 -6.862 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.334 -5.013 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.682 -5.584 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.140 -7.409 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.166 -7.103 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.486 -8.501 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.517 -7.860 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.615 -9.222 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.505 -9.903 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.321 -11.294 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.227 -10.645 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.333 -9.984 -2.163 1.00 0.00 H new ATOM 409 N PRO A 29 1.469 -5.362 -4.027 1.00 0.00 N ATOM 410 CA PRO A 29 0.357 -4.724 -4.774 1.00 0.00 C ATOM 411 C PRO A 29 -0.972 -4.985 -4.062 1.00 0.00 C ATOM 412 O PRO A 29 -1.829 -4.125 -3.988 1.00 0.00 O ATOM 413 CB PRO A 29 0.387 -5.420 -6.135 1.00 0.00 C ATOM 414 CG PRO A 29 1.774 -5.963 -6.268 1.00 0.00 C ATOM 415 CD PRO A 29 2.273 -6.247 -4.875 1.00 0.00 C ATOM 0 HA PRO A 29 0.459 -3.642 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.354 -6.217 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.159 -4.721 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.776 -6.871 -6.871 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.422 -5.245 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.133 -7.294 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.338 -6.033 -4.780 1.00 0.00 H new ATOM 423 N GLY A 30 -1.147 -6.165 -3.534 1.00 0.00 N ATOM 424 CA GLY A 30 -2.415 -6.486 -2.821 1.00 0.00 C ATOM 425 C GLY A 30 -2.311 -7.884 -2.210 1.00 0.00 C ATOM 426 O GLY A 30 -1.418 -8.646 -2.529 1.00 0.00 O ATOM 0 H GLY A 30 -0.465 -6.922 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.604 -5.749 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.256 -6.440 -3.513 1.00 0.00 H new ATOM 430 N THR A 31 -3.216 -8.233 -1.339 1.00 0.00 N ATOM 431 CA THR A 31 -3.169 -9.585 -0.713 1.00 0.00 C ATOM 432 C THR A 31 -3.434 -10.663 -1.767 1.00 0.00 C ATOM 433 O THR A 31 -2.904 -11.754 -1.703 1.00 0.00 O ATOM 434 CB THR A 31 -4.278 -9.576 0.340 1.00 0.00 C ATOM 435 OG1 THR A 31 -5.495 -9.158 -0.262 1.00 0.00 O ATOM 436 CG2 THR A 31 -3.906 -8.615 1.469 1.00 0.00 C ATOM 0 H THR A 31 -3.987 -7.640 -1.033 1.00 0.00 H new ATOM 0 HA THR A 31 -2.196 -9.803 -0.273 1.00 0.00 H new ATOM 0 HB THR A 31 -4.400 -10.579 0.749 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.208 -9.153 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.698 -8.610 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.973 -8.939 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.782 -7.610 1.065 1.00 0.00 H new ATOM 444 N GLY A 32 -4.254 -10.363 -2.738 1.00 0.00 N ATOM 445 CA GLY A 32 -4.555 -11.367 -3.797 1.00 0.00 C ATOM 446 C GLY A 32 -5.665 -12.314 -3.325 1.00 0.00 C ATOM 447 O GLY A 32 -5.981 -13.284 -3.984 1.00 0.00 O ATOM 0 H GLY A 32 -4.728 -9.466 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.863 -10.861 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.657 -11.937 -4.035 1.00 0.00 H new ATOM 451 N VAL A 33 -6.266 -12.045 -2.195 1.00 0.00 N ATOM 452 CA VAL A 33 -7.353 -12.938 -1.703 1.00 0.00 C ATOM 453 C VAL A 33 -8.530 -12.913 -2.682 1.00 0.00 C ATOM 454 O VAL A 33 -9.083 -13.936 -3.034 1.00 0.00 O ATOM 455 CB VAL A 33 -7.766 -12.351 -0.351 1.00 0.00 C ATOM 456 CG1 VAL A 33 -8.985 -13.102 0.188 1.00 0.00 C ATOM 457 CG2 VAL A 33 -6.607 -12.487 0.638 1.00 0.00 C ATOM 0 H VAL A 33 -6.051 -11.249 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.032 -13.976 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.018 -11.298 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.275 -12.681 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.812 -13.005 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.737 -14.156 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.900 -12.069 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.355 -13.540 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.739 -11.948 0.258 1.00 0.00 H new ATOM 467 N LYS A 34 -8.914 -11.747 -3.123 1.00 0.00 N ATOM 468 CA LYS A 34 -10.053 -11.647 -4.078 1.00 0.00 C ATOM 469 C LYS A 34 -9.703 -12.345 -5.395 1.00 0.00 C ATOM 470 O LYS A 34 -10.519 -13.027 -5.983 1.00 0.00 O ATOM 471 CB LYS A 34 -10.251 -10.147 -4.297 1.00 0.00 C ATOM 472 CG LYS A 34 -10.746 -9.509 -2.997 1.00 0.00 C ATOM 473 CD LYS A 34 -10.934 -8.005 -3.201 1.00 0.00 C ATOM 474 CE LYS A 34 -11.427 -7.375 -1.896 1.00 0.00 C ATOM 475 NZ LYS A 34 -11.564 -5.923 -2.196 1.00 0.00 N ATOM 0 H LYS A 34 -8.487 -10.858 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.956 -12.126 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.314 -9.686 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.971 -9.976 -5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.688 -9.965 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.030 -9.691 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.993 -7.547 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.652 -7.822 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.379 -7.805 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.720 -7.545 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.899 -5.423 -1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.641 -5.539 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.248 -5.791 -2.968 1.00 0.00 H new ATOM 489 N ARG A 35 -8.497 -12.176 -5.866 1.00 0.00 N ATOM 490 CA ARG A 35 -8.100 -12.829 -7.146 1.00 0.00 C ATOM 491 C ARG A 35 -7.933 -14.338 -6.942 1.00 0.00 C ATOM 492 O ARG A 35 -8.610 -14.877 -6.082 1.00 0.00 O ATOM 493 CB ARG A 35 -6.764 -12.188 -7.521 1.00 0.00 C ATOM 494 CG ARG A 35 -6.986 -10.712 -7.862 1.00 0.00 C ATOM 495 CD ARG A 35 -5.654 -10.067 -8.247 1.00 0.00 C ATOM 496 NE ARG A 35 -5.979 -8.632 -8.489 1.00 0.00 N ATOM 497 CZ ARG A 35 -6.480 -8.241 -9.637 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.768 -9.107 -10.576 1.00 0.00 N ATOM 499 NH2 ARG A 35 -6.711 -6.973 -9.837 1.00 0.00 N ATOM 500 OXT ARG A 35 -7.129 -14.927 -7.647 1.00 0.00 O ATOM 0 H ARG A 35 -7.771 -11.615 -5.421 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.849 -12.696 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.059 -12.280 -6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.325 -12.707 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.696 -10.621 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.419 -10.192 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.917 -10.177 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.232 -10.532 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.810 -7.946 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.603 -10.102 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.157 -8.787 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.502 -6.295 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.100 -6.660 -10.726 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.670 0.590 4.354 1.00 0.00 ZN