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 109:sc= -0.433 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= -1.83 K(o=-1.8,f=-4.5!) 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 -176:sc= 1.51 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 Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.854 -5.246 11.540 1.00 0.00 N ATOM 2 CA ALA A 1 -8.433 -5.001 10.130 1.00 0.00 C ATOM 3 C ALA A 1 -8.510 -6.300 9.324 1.00 0.00 C ATOM 4 O ALA A 1 -7.657 -7.159 9.427 1.00 0.00 O ATOM 5 CB ALA A 1 -6.987 -4.514 10.226 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.798 -4.358 12.078 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.832 -5.598 11.554 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.225 -5.953 11.972 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.073 -4.276 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.604 -4.311 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.949 -3.601 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.375 -5.282 10.700 1.00 0.00 H new ATOM 11 N ILE A 2 -9.526 -6.448 8.519 1.00 0.00 N ATOM 12 CA ILE A 2 -9.658 -7.690 7.706 1.00 0.00 C ATOM 13 C ILE A 2 -9.586 -7.354 6.214 1.00 0.00 C ATOM 14 O ILE A 2 -10.278 -6.480 5.731 1.00 0.00 O ATOM 15 CB ILE A 2 -11.032 -8.254 8.063 1.00 0.00 C ATOM 16 CG1 ILE A 2 -11.056 -8.635 9.546 1.00 0.00 C ATOM 17 CG2 ILE A 2 -11.311 -9.495 7.215 1.00 0.00 C ATOM 18 CD1 ILE A 2 -12.491 -8.953 9.968 1.00 0.00 C ATOM 0 H ILE A 2 -10.270 -5.763 8.389 1.00 0.00 H new ATOM 0 HA ILE A 2 -8.860 -8.404 7.910 1.00 0.00 H new ATOM 0 HB ILE A 2 -11.796 -7.501 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -10.414 -9.499 9.721 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.661 -7.817 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -12.291 -9.897 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.293 -9.226 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.548 -10.248 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.508 -9.224 11.024 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.120 -8.077 9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.869 -9.785 9.374 1.00 0.00 H new ATOM 30 N GLY A 3 -8.751 -8.040 5.483 1.00 0.00 N ATOM 31 CA GLY A 3 -8.632 -7.759 4.023 1.00 0.00 C ATOM 32 C GLY A 3 -7.737 -6.536 3.803 1.00 0.00 C ATOM 33 O GLY A 3 -7.757 -5.925 2.753 1.00 0.00 O ATOM 0 H GLY A 3 -8.146 -8.783 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.214 -8.625 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.619 -7.581 3.596 1.00 0.00 H new ATOM 37 N THR A 4 -6.952 -6.173 4.781 1.00 0.00 N ATOM 38 CA THR A 4 -6.058 -4.990 4.624 1.00 0.00 C ATOM 39 C THR A 4 -4.643 -5.337 5.095 1.00 0.00 C ATOM 40 O THR A 4 -4.432 -6.312 5.787 1.00 0.00 O ATOM 41 CB THR A 4 -6.672 -3.911 5.517 1.00 0.00 C ATOM 42 OG1 THR A 4 -6.544 -4.299 6.878 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.150 -3.743 5.170 1.00 0.00 C ATOM 0 H THR A 4 -6.891 -6.645 5.683 1.00 0.00 H new ATOM 0 HA THR A 4 -5.978 -4.663 3.587 1.00 0.00 H new ATOM 0 HB THR A 4 -6.154 -2.965 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.878 -3.731 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.588 -2.974 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.247 -3.448 4.125 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.671 -4.687 5.331 1.00 0.00 H new ATOM 51 N TRP A 5 -3.669 -4.550 4.725 1.00 0.00 N ATOM 52 CA TRP A 5 -2.272 -4.847 5.157 1.00 0.00 C ATOM 53 C TRP A 5 -1.529 -3.554 5.510 1.00 0.00 C ATOM 54 O TRP A 5 -1.870 -2.480 5.051 1.00 0.00 O ATOM 55 CB TRP A 5 -1.624 -5.540 3.956 1.00 0.00 C ATOM 56 CG TRP A 5 -1.442 -4.558 2.842 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.360 -4.288 1.888 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.291 -3.719 2.546 1.00 0.00 C ATOM 59 NE1 TRP A 5 -1.841 -3.338 1.029 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.576 -2.957 1.390 1.00 0.00 C ATOM 61 CE3 TRP A 5 0.958 -3.544 3.157 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.341 -2.057 0.858 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.883 -2.636 2.622 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.575 -1.895 1.476 1.00 0.00 C ATOM 0 H TRP A 5 -3.779 -3.718 4.145 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.242 -5.471 6.050 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.660 -5.961 4.243 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.247 -6.370 3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.338 -4.740 1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.341 -2.965 0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.209 -4.110 4.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.096 -1.489 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.843 -2.507 3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.295 -1.198 1.072 1.00 0.00 H new ATOM 75 N ASP A 6 -0.514 -3.654 6.328 1.00 0.00 N ATOM 76 CA ASP A 6 0.257 -2.433 6.721 1.00 0.00 C ATOM 77 C ASP A 6 1.756 -2.744 6.754 1.00 0.00 C ATOM 78 O ASP A 6 2.161 -3.874 6.945 1.00 0.00 O ATOM 79 CB ASP A 6 -0.246 -2.065 8.124 1.00 0.00 C ATOM 80 CG ASP A 6 -1.726 -1.684 8.057 1.00 0.00 C ATOM 81 OD1 ASP A 6 -2.135 -1.149 7.041 1.00 0.00 O ATOM 82 OD2 ASP A 6 -2.424 -1.927 9.028 1.00 0.00 O ATOM 0 H ASP A 6 -0.184 -4.526 6.741 1.00 0.00 H new ATOM 0 HA ASP A 6 0.114 -1.615 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.107 -2.906 8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.336 -1.234 8.523 1.00 0.00 H new ATOM 87 N CYS A 7 2.585 -1.751 6.568 1.00 0.00 N ATOM 88 CA CYS A 7 4.056 -1.992 6.589 1.00 0.00 C ATOM 89 C CYS A 7 4.597 -1.852 8.016 1.00 0.00 C ATOM 90 O CYS A 7 4.580 -0.784 8.595 1.00 0.00 O ATOM 91 CB CYS A 7 4.638 -0.909 5.680 1.00 0.00 C ATOM 92 SG CYS A 7 6.329 -1.353 5.217 1.00 0.00 S ATOM 0 H CYS A 7 2.306 -0.784 6.403 1.00 0.00 H new ATOM 0 HA CYS A 7 4.320 -2.995 6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.022 -0.799 4.787 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.631 0.053 6.192 1.00 0.00 H new ATOM 97 N ASP A 8 5.077 -2.924 8.587 1.00 0.00 N ATOM 98 CA ASP A 8 5.620 -2.848 9.984 1.00 0.00 C ATOM 99 C ASP A 8 7.048 -2.293 9.975 1.00 0.00 C ATOM 100 O ASP A 8 7.554 -1.846 10.985 1.00 0.00 O ATOM 101 CB ASP A 8 5.618 -4.286 10.522 1.00 0.00 C ATOM 102 CG ASP A 8 4.233 -4.905 10.323 1.00 0.00 C ATOM 103 OD1 ASP A 8 3.267 -4.159 10.322 1.00 0.00 O ATOM 104 OD2 ASP A 8 4.161 -6.114 10.174 1.00 0.00 O ATOM 0 H ASP A 8 5.119 -3.846 8.154 1.00 0.00 H new ATOM 0 HA ASP A 8 5.017 -2.186 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.371 -4.880 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.881 -4.290 11.580 1.00 0.00 H new ATOM 109 N THR A 9 7.705 -2.329 8.849 1.00 0.00 N ATOM 110 CA THR A 9 9.105 -1.814 8.785 1.00 0.00 C ATOM 111 C THR A 9 9.150 -0.323 9.132 1.00 0.00 C ATOM 112 O THR A 9 10.000 0.123 9.878 1.00 0.00 O ATOM 113 CB THR A 9 9.543 -2.038 7.338 1.00 0.00 C ATOM 114 OG1 THR A 9 9.547 -3.431 7.056 1.00 0.00 O ATOM 115 CG2 THR A 9 10.950 -1.472 7.135 1.00 0.00 C ATOM 0 H THR A 9 7.335 -2.692 7.970 1.00 0.00 H new ATOM 0 HA THR A 9 9.758 -2.320 9.496 1.00 0.00 H new ATOM 0 HB THR A 9 8.849 -1.532 6.666 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.826 -3.576 6.128 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.261 -1.632 6.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.947 -0.404 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.645 -1.976 7.806 1.00 0.00 H new ATOM 123 N CYS A 10 8.250 0.453 8.596 1.00 0.00 N ATOM 124 CA CYS A 10 8.257 1.916 8.897 1.00 0.00 C ATOM 125 C CYS A 10 6.951 2.344 9.582 1.00 0.00 C ATOM 126 O CYS A 10 6.545 3.486 9.509 1.00 0.00 O ATOM 127 CB CYS A 10 8.420 2.598 7.538 1.00 0.00 C ATOM 128 SG CYS A 10 6.852 2.537 6.644 1.00 0.00 S ATOM 0 H CYS A 10 7.512 0.141 7.965 1.00 0.00 H new ATOM 0 HA CYS A 10 9.057 2.188 9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.734 3.633 7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.200 2.101 6.961 1.00 0.00 H new ATOM 133 N LEU A 11 6.305 1.436 10.263 1.00 0.00 N ATOM 134 CA LEU A 11 5.037 1.778 10.979 1.00 0.00 C ATOM 135 C LEU A 11 4.074 2.549 10.066 1.00 0.00 C ATOM 136 O LEU A 11 3.629 3.633 10.388 1.00 0.00 O ATOM 137 CB LEU A 11 5.479 2.656 12.154 1.00 0.00 C ATOM 138 CG LEU A 11 4.288 2.927 13.079 1.00 0.00 C ATOM 139 CD1 LEU A 11 3.794 1.609 13.677 1.00 0.00 C ATOM 140 CD2 LEU A 11 4.726 3.867 14.205 1.00 0.00 C ATOM 0 H LEU A 11 6.602 0.465 10.356 1.00 0.00 H new ATOM 0 HA LEU A 11 4.501 0.886 11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.276 2.162 12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.885 3.597 11.783 1.00 0.00 H new ATOM 0 HG LEU A 11 3.482 3.389 12.510 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.947 1.803 14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.485 0.939 12.875 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.598 1.145 14.248 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.881 4.062 14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.531 3.403 14.774 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.078 4.806 13.779 1.00 0.00 H new ATOM 152 N VAL A 12 3.732 1.991 8.940 1.00 0.00 N ATOM 153 CA VAL A 12 2.776 2.681 8.021 1.00 0.00 C ATOM 154 C VAL A 12 1.662 1.720 7.604 1.00 0.00 C ATOM 155 O VAL A 12 1.910 0.587 7.239 1.00 0.00 O ATOM 156 CB VAL A 12 3.600 3.119 6.811 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.659 3.489 5.663 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.429 4.347 7.187 1.00 0.00 C ATOM 0 H VAL A 12 4.071 1.086 8.613 1.00 0.00 H new ATOM 0 HA VAL A 12 2.297 3.535 8.499 1.00 0.00 H new ATOM 0 HB VAL A 12 4.256 2.305 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.245 3.802 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.053 2.623 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.008 4.306 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.019 4.664 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.764 5.156 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.095 4.097 8.013 1.00 0.00 H new ATOM 168 N GLN A 13 0.437 2.159 7.657 1.00 0.00 N ATOM 169 CA GLN A 13 -0.692 1.269 7.266 1.00 0.00 C ATOM 170 C GLN A 13 -1.165 1.610 5.850 1.00 0.00 C ATOM 171 O GLN A 13 -1.364 2.761 5.515 1.00 0.00 O ATOM 172 CB GLN A 13 -1.797 1.568 8.281 1.00 0.00 C ATOM 173 CG GLN A 13 -1.351 1.113 9.672 1.00 0.00 C ATOM 174 CD GLN A 13 -2.424 1.483 10.698 1.00 0.00 C ATOM 175 OE1 GLN A 13 -2.689 2.647 10.923 1.00 0.00 O ATOM 176 NE2 GLN A 13 -3.057 0.535 11.334 1.00 0.00 N ATOM 0 H GLN A 13 0.167 3.097 7.954 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.409 0.216 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.018 2.635 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.715 1.055 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.183 0.036 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.404 1.584 9.934 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.835 -0.442 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.774 0.772 12.020 1.00 0.00 H new ATOM 185 N ASN A 14 -1.364 0.622 5.018 1.00 0.00 N ATOM 186 CA ASN A 14 -1.843 0.913 3.632 1.00 0.00 C ATOM 187 C ASN A 14 -3.064 0.046 3.315 1.00 0.00 C ATOM 188 O ASN A 14 -3.000 -1.167 3.334 1.00 0.00 O ATOM 189 CB ASN A 14 -0.680 0.574 2.686 1.00 0.00 C ATOM 190 CG ASN A 14 0.493 1.526 2.947 1.00 0.00 C ATOM 191 OD1 ASN A 14 0.354 2.495 3.666 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.649 1.298 2.377 1.00 0.00 N ATOM 0 H ASN A 14 -1.218 -0.364 5.233 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.140 1.956 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.364 -0.458 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.006 0.658 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.431 1.933 2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.768 0.485 1.773 1.00 0.00 H new ATOM 199 N LYS A 15 -4.179 0.662 3.028 1.00 0.00 N ATOM 200 CA LYS A 15 -5.406 -0.125 2.713 1.00 0.00 C ATOM 201 C LYS A 15 -5.242 -0.852 1.376 1.00 0.00 C ATOM 202 O LYS A 15 -4.262 -0.666 0.683 1.00 0.00 O ATOM 203 CB LYS A 15 -6.527 0.913 2.623 1.00 0.00 C ATOM 204 CG LYS A 15 -7.273 0.981 3.957 1.00 0.00 C ATOM 205 CD LYS A 15 -6.378 1.637 5.012 1.00 0.00 C ATOM 206 CE LYS A 15 -7.052 1.538 6.383 1.00 0.00 C ATOM 207 NZ LYS A 15 -6.945 2.905 6.965 1.00 0.00 N ATOM 0 H LYS A 15 -4.293 1.675 2.998 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.612 -0.887 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.112 1.890 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.217 0.649 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.195 1.552 3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.557 -0.021 4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.405 1.146 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.201 2.682 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.093 1.229 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.556 0.800 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.386 2.917 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.943 3.169 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.432 3.585 6.346 1.00 0.00 H new ATOM 221 N PRO A 16 -6.220 -1.655 1.061 1.00 0.00 N ATOM 222 CA PRO A 16 -6.200 -2.425 -0.209 1.00 0.00 C ATOM 223 C PRO A 16 -6.046 -1.477 -1.400 1.00 0.00 C ATOM 224 O PRO A 16 -5.478 -1.825 -2.415 1.00 0.00 O ATOM 225 CB PRO A 16 -7.563 -3.116 -0.235 1.00 0.00 C ATOM 226 CG PRO A 16 -8.012 -3.143 1.190 1.00 0.00 C ATOM 227 CD PRO A 16 -7.424 -1.926 1.851 1.00 0.00 C ATOM 0 HA PRO A 16 -5.372 -3.131 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.270 -2.571 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.487 -4.124 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.100 -3.130 1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.675 -4.054 1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.116 -1.084 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.183 -2.114 2.897 1.00 0.00 H new ATOM 235 N GLU A 17 -6.549 -0.277 -1.283 1.00 0.00 N ATOM 236 CA GLU A 17 -6.429 0.693 -2.407 1.00 0.00 C ATOM 237 C GLU A 17 -4.953 0.992 -2.681 1.00 0.00 C ATOM 238 O GLU A 17 -4.539 1.145 -3.814 1.00 0.00 O ATOM 239 CB GLU A 17 -7.150 1.952 -1.925 1.00 0.00 C ATOM 240 CG GLU A 17 -7.140 3.006 -3.035 1.00 0.00 C ATOM 241 CD GLU A 17 -7.895 4.250 -2.565 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.599 4.152 -1.573 1.00 0.00 O ATOM 243 OE2 GLU A 17 -7.757 5.279 -3.204 1.00 0.00 O ATOM 0 H GLU A 17 -7.037 0.072 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.858 0.311 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.176 1.712 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.662 2.344 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.114 3.267 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.604 2.605 -3.936 1.00 0.00 H new ATOM 250 N ALA A 18 -4.155 1.073 -1.650 1.00 0.00 N ATOM 251 CA ALA A 18 -2.705 1.355 -1.848 1.00 0.00 C ATOM 252 C ALA A 18 -2.102 0.341 -2.824 1.00 0.00 C ATOM 253 O ALA A 18 -2.797 -0.484 -3.384 1.00 0.00 O ATOM 254 CB ALA A 18 -2.076 1.207 -0.463 1.00 0.00 C ATOM 0 H ALA A 18 -4.445 0.956 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.530 2.346 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.005 1.400 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.533 1.921 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.241 0.194 -0.095 1.00 0.00 H new ATOM 260 N VAL A 19 -0.815 0.391 -3.025 1.00 0.00 N ATOM 261 CA VAL A 19 -0.161 -0.570 -3.957 1.00 0.00 C ATOM 262 C VAL A 19 1.301 -0.703 -3.560 1.00 0.00 C ATOM 263 O VAL A 19 1.839 -1.786 -3.448 1.00 0.00 O ATOM 264 CB VAL A 19 -0.281 0.063 -5.345 1.00 0.00 C ATOM 265 CG1 VAL A 19 0.483 -0.787 -6.360 1.00 0.00 C ATOM 266 CG2 VAL A 19 -1.754 0.139 -5.754 1.00 0.00 C ATOM 0 H VAL A 19 -0.185 1.059 -2.582 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.614 -1.561 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 19 0.139 1.069 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.398 -0.337 -7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.534 -0.839 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.063 -1.793 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.834 0.590 -6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.177 -0.865 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.301 0.746 -5.033 1.00 0.00 H new ATOM 276 N LYS A 20 1.931 0.408 -3.321 1.00 0.00 N ATOM 277 CA LYS A 20 3.353 0.385 -2.897 1.00 0.00 C ATOM 278 C LYS A 20 3.573 1.458 -1.830 1.00 0.00 C ATOM 279 O LYS A 20 3.329 2.629 -2.043 1.00 0.00 O ATOM 280 CB LYS A 20 4.174 0.678 -4.155 1.00 0.00 C ATOM 281 CG LYS A 20 3.991 -0.465 -5.156 1.00 0.00 C ATOM 282 CD LYS A 20 4.811 -0.178 -6.416 1.00 0.00 C ATOM 283 CE LYS A 20 4.636 -1.330 -7.410 1.00 0.00 C ATOM 284 NZ LYS A 20 5.468 -0.950 -8.585 1.00 0.00 N ATOM 0 H LYS A 20 1.519 1.338 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 20 3.646 -0.572 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.855 1.621 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.228 0.787 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.309 -1.407 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.937 -0.573 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.487 0.759 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.864 -0.061 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.966 -2.276 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.590 -1.455 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.401 -1.691 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.126 -0.049 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.459 -0.845 -8.289 1.00 0.00 H new ATOM 298 N CYS A 21 4.009 1.050 -0.679 1.00 0.00 N ATOM 299 CA CYS A 21 4.230 2.012 0.441 1.00 0.00 C ATOM 300 C CYS A 21 4.989 3.258 -0.044 1.00 0.00 C ATOM 301 O CYS A 21 6.001 3.170 -0.705 1.00 0.00 O ATOM 302 CB CYS A 21 5.062 1.232 1.462 1.00 0.00 C ATOM 303 SG CYS A 21 5.010 2.080 3.058 1.00 0.00 S ATOM 0 H CYS A 21 4.227 0.078 -0.457 1.00 0.00 H new ATOM 0 HA CYS A 21 3.292 2.374 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.674 0.218 1.564 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.093 1.146 1.117 1.00 0.00 H new ATOM 308 N VAL A 22 4.485 4.422 0.273 1.00 0.00 N ATOM 309 CA VAL A 22 5.149 5.686 -0.174 1.00 0.00 C ATOM 310 C VAL A 22 6.542 5.847 0.454 1.00 0.00 C ATOM 311 O VAL A 22 7.494 6.183 -0.220 1.00 0.00 O ATOM 312 CB VAL A 22 4.218 6.803 0.297 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.894 8.159 0.084 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.917 6.754 -0.506 1.00 0.00 C ATOM 0 H VAL A 22 3.638 4.554 0.825 1.00 0.00 H new ATOM 0 HA VAL A 22 5.304 5.696 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 22 4.000 6.669 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.229 8.954 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.822 8.197 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.114 8.294 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.252 7.550 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.138 6.887 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.432 5.789 -0.355 1.00 0.00 H new ATOM 324 N ALA A 23 6.671 5.621 1.735 1.00 0.00 N ATOM 325 CA ALA A 23 8.012 5.777 2.382 1.00 0.00 C ATOM 326 C ALA A 23 8.983 4.744 1.813 1.00 0.00 C ATOM 327 O ALA A 23 10.130 5.029 1.530 1.00 0.00 O ATOM 328 CB ALA A 23 7.772 5.529 3.871 1.00 0.00 C ATOM 0 H ALA A 23 5.915 5.338 2.358 1.00 0.00 H new ATOM 0 HA ALA A 23 8.447 6.761 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.713 5.626 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.057 6.259 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.374 4.524 4.013 1.00 0.00 H new ATOM 334 N CYS A 24 8.511 3.550 1.632 1.00 0.00 N ATOM 335 CA CYS A 24 9.361 2.468 1.066 1.00 0.00 C ATOM 336 C CYS A 24 8.462 1.440 0.365 1.00 0.00 C ATOM 337 O CYS A 24 8.116 0.411 0.907 1.00 0.00 O ATOM 338 CB CYS A 24 10.132 1.887 2.262 1.00 0.00 C ATOM 339 SG CYS A 24 9.000 1.111 3.441 1.00 0.00 S ATOM 0 H CYS A 24 7.556 3.270 1.855 1.00 0.00 H new ATOM 0 HA CYS A 24 10.067 2.813 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.858 1.153 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.694 2.679 2.758 1.00 0.00 H new ATOM 344 N GLU A 25 8.071 1.758 -0.847 1.00 0.00 N ATOM 345 CA GLU A 25 7.167 0.875 -1.656 1.00 0.00 C ATOM 346 C GLU A 25 7.349 -0.605 -1.325 1.00 0.00 C ATOM 347 O GLU A 25 8.181 -1.285 -1.891 1.00 0.00 O ATOM 348 CB GLU A 25 7.564 1.145 -3.108 1.00 0.00 C ATOM 349 CG GLU A 25 7.120 2.554 -3.510 1.00 0.00 C ATOM 350 CD GLU A 25 7.588 2.849 -4.936 1.00 0.00 C ATOM 351 OE1 GLU A 25 8.201 1.978 -5.530 1.00 0.00 O ATOM 352 OE2 GLU A 25 7.327 3.943 -5.409 1.00 0.00 O ATOM 0 H GLU A 25 8.349 2.617 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 25 6.119 1.093 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.643 1.046 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.103 0.407 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.035 2.637 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.536 3.288 -2.820 1.00 0.00 H new ATOM 359 N THR A 26 6.556 -1.109 -0.421 1.00 0.00 N ATOM 360 CA THR A 26 6.663 -2.551 -0.062 1.00 0.00 C ATOM 361 C THR A 26 6.528 -3.404 -1.327 1.00 0.00 C ATOM 362 O THR A 26 5.983 -2.961 -2.319 1.00 0.00 O ATOM 363 CB THR A 26 5.499 -2.814 0.894 1.00 0.00 C ATOM 364 OG1 THR A 26 4.280 -2.438 0.268 1.00 0.00 O ATOM 365 CG2 THR A 26 5.690 -2.000 2.173 1.00 0.00 C ATOM 0 H THR A 26 5.840 -0.586 0.084 1.00 0.00 H new ATOM 0 HA THR A 26 7.620 -2.799 0.397 1.00 0.00 H new ATOM 0 HB THR A 26 5.468 -3.874 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.540 -2.544 0.902 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.859 -2.189 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.625 -2.290 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.723 -0.939 1.927 1.00 0.00 H new ATOM 373 N PRO A 27 7.033 -4.603 -1.249 1.00 0.00 N ATOM 374 CA PRO A 27 6.974 -5.534 -2.402 1.00 0.00 C ATOM 375 C PRO A 27 5.577 -6.157 -2.544 1.00 0.00 C ATOM 376 O PRO A 27 5.358 -7.015 -3.376 1.00 0.00 O ATOM 377 CB PRO A 27 8.001 -6.603 -2.044 1.00 0.00 C ATOM 378 CG PRO A 27 8.078 -6.587 -0.549 1.00 0.00 C ATOM 379 CD PRO A 27 7.706 -5.198 -0.090 1.00 0.00 C ATOM 0 HA PRO A 27 7.177 -5.039 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.695 -7.582 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.971 -6.383 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.400 -7.326 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.083 -6.845 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.049 -5.229 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.587 -4.624 0.197 1.00 0.00 H new ATOM 387 N LYS A 28 4.630 -5.745 -1.742 1.00 0.00 N ATOM 388 CA LYS A 28 3.261 -6.333 -1.846 1.00 0.00 C ATOM 389 C LYS A 28 2.420 -5.553 -2.866 1.00 0.00 C ATOM 390 O LYS A 28 2.123 -4.393 -2.659 1.00 0.00 O ATOM 391 CB LYS A 28 2.664 -6.192 -0.445 1.00 0.00 C ATOM 392 CG LYS A 28 1.277 -6.839 -0.414 1.00 0.00 C ATOM 393 CD LYS A 28 1.056 -7.512 0.942 1.00 0.00 C ATOM 394 CE LYS A 28 0.523 -8.930 0.727 1.00 0.00 C ATOM 395 NZ LYS A 28 -0.960 -8.794 0.775 1.00 0.00 N ATOM 0 H LYS A 28 4.744 -5.031 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 28 3.284 -7.370 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.315 -6.667 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.592 -5.139 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.509 -6.085 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.189 -7.573 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.991 -7.544 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.350 -6.933 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.852 -9.335 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.883 -9.609 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.399 -9.726 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.244 -8.413 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.274 -8.148 0.023 1.00 0.00 H new ATOM 409 N PRO A 29 2.054 -6.215 -3.936 1.00 0.00 N ATOM 410 CA PRO A 29 1.232 -5.561 -4.986 1.00 0.00 C ATOM 411 C PRO A 29 -0.117 -5.123 -4.406 1.00 0.00 C ATOM 412 O PRO A 29 -0.664 -5.764 -3.531 1.00 0.00 O ATOM 413 CB PRO A 29 1.036 -6.650 -6.044 1.00 0.00 C ATOM 414 CG PRO A 29 2.056 -7.701 -5.738 1.00 0.00 C ATOM 415 CD PRO A 29 2.366 -7.607 -4.269 1.00 0.00 C ATOM 0 HA PRO A 29 1.702 -4.666 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.027 -7.060 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.176 -6.250 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.675 -8.691 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.957 -7.547 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.762 -8.303 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.410 -7.843 -4.064 1.00 0.00 H new ATOM 423 N GLY A 30 -0.655 -4.034 -4.884 1.00 0.00 N ATOM 424 CA GLY A 30 -1.965 -3.556 -4.357 1.00 0.00 C ATOM 425 C GLY A 30 -3.059 -4.568 -4.706 1.00 0.00 C ATOM 426 O GLY A 30 -2.905 -5.379 -5.597 1.00 0.00 O ATOM 0 H GLY A 30 -0.244 -3.455 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.908 -3.425 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.207 -2.582 -4.784 1.00 0.00 H new ATOM 430 N THR A 31 -4.163 -4.527 -4.008 1.00 0.00 N ATOM 431 CA THR A 31 -5.265 -5.490 -4.299 1.00 0.00 C ATOM 432 C THR A 31 -6.611 -4.761 -4.358 1.00 0.00 C ATOM 433 O THR A 31 -6.760 -3.670 -3.842 1.00 0.00 O ATOM 434 CB THR A 31 -5.243 -6.478 -3.132 1.00 0.00 C ATOM 435 OG1 THR A 31 -5.597 -5.801 -1.933 1.00 0.00 O ATOM 436 CG2 THR A 31 -3.839 -7.070 -2.989 1.00 0.00 C ATOM 0 H THR A 31 -4.349 -3.870 -3.251 1.00 0.00 H new ATOM 0 HA THR A 31 -5.134 -5.987 -5.260 1.00 0.00 H new ATOM 0 HB THR A 31 -5.956 -7.280 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.585 -6.433 -1.184 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.824 -7.774 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.568 -7.589 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.124 -6.269 -2.800 1.00 0.00 H new ATOM 444 N GLY A 32 -7.592 -5.357 -4.978 1.00 0.00 N ATOM 445 CA GLY A 32 -8.930 -4.704 -5.065 1.00 0.00 C ATOM 446 C GLY A 32 -8.934 -3.665 -6.191 1.00 0.00 C ATOM 447 O GLY A 32 -9.790 -2.804 -6.245 1.00 0.00 O ATOM 0 H GLY A 32 -7.525 -6.269 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.699 -5.455 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.172 -4.225 -4.116 1.00 0.00 H new ATOM 451 N VAL A 33 -7.989 -3.733 -7.090 1.00 0.00 N ATOM 452 CA VAL A 33 -7.954 -2.743 -8.205 1.00 0.00 C ATOM 453 C VAL A 33 -7.948 -3.463 -9.558 1.00 0.00 C ATOM 454 O VAL A 33 -7.182 -4.378 -9.781 1.00 0.00 O ATOM 455 CB VAL A 33 -6.652 -1.968 -8.004 1.00 0.00 C ATOM 456 CG1 VAL A 33 -6.363 -1.121 -9.244 1.00 0.00 C ATOM 457 CG2 VAL A 33 -6.786 -1.054 -6.785 1.00 0.00 C ATOM 0 H VAL A 33 -7.243 -4.428 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.825 -2.087 -8.201 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.834 -2.671 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.434 -0.569 -9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.267 -1.771 -10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.181 -0.419 -9.404 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.858 -0.501 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.605 -0.353 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.991 -1.656 -5.900 1.00 0.00 H new ATOM 467 N LYS A 34 -8.794 -3.051 -10.465 1.00 0.00 N ATOM 468 CA LYS A 34 -8.831 -3.711 -11.802 1.00 0.00 C ATOM 469 C LYS A 34 -7.723 -3.145 -12.694 1.00 0.00 C ATOM 470 O LYS A 34 -7.381 -1.981 -12.612 1.00 0.00 O ATOM 471 CB LYS A 34 -10.208 -3.374 -12.380 1.00 0.00 C ATOM 472 CG LYS A 34 -11.293 -4.068 -11.555 1.00 0.00 C ATOM 473 CD LYS A 34 -12.669 -3.731 -12.135 1.00 0.00 C ATOM 474 CE LYS A 34 -13.757 -4.434 -11.320 1.00 0.00 C ATOM 475 NZ LYS A 34 -15.038 -4.034 -11.967 1.00 0.00 N ATOM 0 H LYS A 34 -9.459 -2.288 -10.338 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.674 -4.788 -11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.364 -2.295 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.266 -3.695 -13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.137 -5.147 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.236 -3.746 -10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.828 -2.653 -12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.722 -4.045 -13.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.627 -5.516 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.729 -4.126 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.834 -4.477 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.137 -2.999 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.038 -4.346 -12.959 1.00 0.00 H new ATOM 489 N ARG A 35 -7.158 -3.957 -13.545 1.00 0.00 N ATOM 490 CA ARG A 35 -6.072 -3.458 -14.436 1.00 0.00 C ATOM 491 C ARG A 35 -6.525 -3.498 -15.898 1.00 0.00 C ATOM 492 O ARG A 35 -7.015 -4.534 -16.317 1.00 0.00 O ATOM 493 CB ARG A 35 -4.903 -4.418 -14.209 1.00 0.00 C ATOM 494 CG ARG A 35 -3.686 -3.937 -15.002 1.00 0.00 C ATOM 495 CD ARG A 35 -2.524 -4.913 -14.799 1.00 0.00 C ATOM 496 NE ARG A 35 -1.355 -4.261 -15.455 1.00 0.00 N ATOM 497 CZ ARG A 35 -1.170 -4.355 -16.751 1.00 0.00 C ATOM 498 NH1 ARG A 35 -2.033 -4.979 -17.512 1.00 0.00 N ATOM 499 NH2 ARG A 35 -0.116 -3.805 -17.290 1.00 0.00 N ATOM 500 OXT ARG A 35 -6.375 -2.492 -16.571 1.00 0.00 O ATOM 0 H ARG A 35 -7.400 -4.941 -13.662 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.800 -2.425 -14.218 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.661 -4.469 -13.147 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.179 -5.425 -14.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.934 -3.866 -16.061 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.397 -2.938 -14.675 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.336 -5.088 -13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.739 -5.882 -15.249 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.690 -3.735 -14.889 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.865 -5.401 -17.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.874 -5.043 -18.517 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.555 -3.308 -16.705 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.036 -3.873 -18.296 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.736 1.056 4.590 1.00 0.00 ZN