USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=5 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+ 131:sc= 0.0438 (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 K(o=0,f=-1.2!) USER MOD Single : A 14 ASN : amide:sc= -2.15 K(o=-2.1,f=-3.3!) 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 171:sc= 0.55 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -4:sc= 0.942 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.938 -13.400 1.983 1.00 0.00 N ATOM 2 CA ALA A 1 -10.580 -12.045 1.469 1.00 0.00 C ATOM 3 C ALA A 1 -9.188 -11.645 1.966 1.00 0.00 C ATOM 4 O ALA A 1 -8.765 -12.039 3.035 1.00 0.00 O ATOM 5 CB ALA A 1 -11.643 -11.110 2.044 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.890 -13.373 2.400 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.923 -14.084 1.200 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.251 -13.689 2.708 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.552 -12.009 0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.449 -10.090 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.628 -11.423 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.611 -11.148 3.133 1.00 0.00 H new ATOM 11 N ILE A 2 -8.471 -10.868 1.202 1.00 0.00 N ATOM 12 CA ILE A 2 -7.107 -10.454 1.641 1.00 0.00 C ATOM 13 C ILE A 2 -7.204 -9.422 2.770 1.00 0.00 C ATOM 14 O ILE A 2 -6.324 -9.313 3.599 1.00 0.00 O ATOM 15 CB ILE A 2 -6.455 -9.838 0.402 1.00 0.00 C ATOM 16 CG1 ILE A 2 -7.226 -8.586 -0.019 1.00 0.00 C ATOM 17 CG2 ILE A 2 -6.480 -10.849 -0.746 1.00 0.00 C ATOM 18 CD1 ILE A 2 -6.450 -7.858 -1.119 1.00 0.00 C ATOM 0 H ILE A 2 -8.768 -10.503 0.297 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.528 -11.293 2.027 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.425 -9.571 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.218 -8.860 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.368 -7.928 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.015 -10.409 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.931 -11.744 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.512 -11.115 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.998 -6.965 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.468 -7.571 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.331 -8.518 -1.978 1.00 0.00 H new ATOM 30 N GLY A 3 -8.269 -8.667 2.810 1.00 0.00 N ATOM 31 CA GLY A 3 -8.420 -7.649 3.889 1.00 0.00 C ATOM 32 C GLY A 3 -7.358 -6.558 3.725 1.00 0.00 C ATOM 33 O GLY A 3 -6.609 -6.545 2.768 1.00 0.00 O ATOM 0 H GLY A 3 -9.040 -8.711 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.416 -7.209 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.320 -8.123 4.865 1.00 0.00 H new ATOM 37 N THR A 4 -7.289 -5.643 4.655 1.00 0.00 N ATOM 38 CA THR A 4 -6.276 -4.553 4.561 1.00 0.00 C ATOM 39 C THR A 4 -4.939 -5.025 5.139 1.00 0.00 C ATOM 40 O THR A 4 -4.862 -6.047 5.793 1.00 0.00 O ATOM 41 CB THR A 4 -6.844 -3.406 5.400 1.00 0.00 C ATOM 42 OG1 THR A 4 -6.608 -3.666 6.775 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.347 -3.285 5.152 1.00 0.00 C ATOM 0 H THR A 4 -7.892 -5.604 5.477 1.00 0.00 H new ATOM 0 HA THR A 4 -6.091 -4.251 3.530 1.00 0.00 H new ATOM 0 HB THR A 4 -6.356 -2.473 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.970 -2.932 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.750 -2.468 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.526 -3.084 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.838 -4.217 5.433 1.00 0.00 H new ATOM 51 N TRP A 5 -3.886 -4.288 4.911 1.00 0.00 N ATOM 52 CA TRP A 5 -2.560 -4.696 5.456 1.00 0.00 C ATOM 53 C TRP A 5 -1.759 -3.459 5.886 1.00 0.00 C ATOM 54 O TRP A 5 -1.935 -2.375 5.363 1.00 0.00 O ATOM 55 CB TRP A 5 -1.865 -5.428 4.305 1.00 0.00 C ATOM 56 CG TRP A 5 -1.639 -4.483 3.171 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.536 -4.199 2.202 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.454 -3.696 2.865 1.00 0.00 C ATOM 59 NE1 TRP A 5 -1.977 -3.287 1.330 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.701 -2.947 1.694 1.00 0.00 C ATOM 61 CE3 TRP A 5 0.797 -3.556 3.482 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.251 -2.094 1.151 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.760 -2.696 2.937 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.485 -1.967 1.775 1.00 0.00 C ATOM 0 H TRP A 5 -3.887 -3.422 4.372 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.651 -5.330 6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.914 -5.839 4.644 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.475 -6.268 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.529 -4.617 2.123 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.457 -2.911 0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.019 -4.113 4.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 0.034 -1.535 0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.722 -2.595 3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.233 -1.305 1.363 1.00 0.00 H new ATOM 75 N ASP A 6 -0.881 -3.611 6.838 1.00 0.00 N ATOM 76 CA ASP A 6 -0.073 -2.440 7.297 1.00 0.00 C ATOM 77 C ASP A 6 1.421 -2.765 7.225 1.00 0.00 C ATOM 78 O ASP A 6 1.841 -3.870 7.506 1.00 0.00 O ATOM 79 CB ASP A 6 -0.499 -2.181 8.748 1.00 0.00 C ATOM 80 CG ASP A 6 -2.020 -2.036 8.819 1.00 0.00 C ATOM 81 OD1 ASP A 6 -2.596 -1.565 7.851 1.00 0.00 O ATOM 82 OD2 ASP A 6 -2.583 -2.397 9.840 1.00 0.00 O ATOM 0 H ASP A 6 -0.686 -4.490 7.318 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.240 -1.564 6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.172 -3.002 9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.020 -1.276 9.122 1.00 0.00 H new ATOM 87 N CYS A 7 2.227 -1.807 6.855 1.00 0.00 N ATOM 88 CA CYS A 7 3.693 -2.055 6.770 1.00 0.00 C ATOM 89 C CYS A 7 4.348 -1.789 8.130 1.00 0.00 C ATOM 90 O CYS A 7 4.327 -0.682 8.632 1.00 0.00 O ATOM 91 CB CYS A 7 4.189 -1.063 5.714 1.00 0.00 C ATOM 92 SG CYS A 7 5.901 -1.445 5.273 1.00 0.00 S ATOM 0 H CYS A 7 1.932 -0.862 6.608 1.00 0.00 H new ATOM 0 HA CYS A 7 3.936 -3.084 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.556 -1.113 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.121 -0.045 6.097 1.00 0.00 H new ATOM 97 N ASP A 8 4.930 -2.793 8.734 1.00 0.00 N ATOM 98 CA ASP A 8 5.580 -2.580 10.063 1.00 0.00 C ATOM 99 C ASP A 8 7.066 -2.249 9.890 1.00 0.00 C ATOM 100 O ASP A 8 7.739 -1.883 10.835 1.00 0.00 O ATOM 101 CB ASP A 8 5.419 -3.899 10.826 1.00 0.00 C ATOM 102 CG ASP A 8 6.005 -5.053 10.005 1.00 0.00 C ATOM 103 OD1 ASP A 8 6.425 -4.808 8.886 1.00 0.00 O ATOM 104 OD2 ASP A 8 6.032 -6.160 10.515 1.00 0.00 O ATOM 0 H ASP A 8 4.984 -3.744 8.369 1.00 0.00 H new ATOM 0 HA ASP A 8 5.125 -1.746 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.923 -3.835 11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.364 -4.085 11.029 1.00 0.00 H new ATOM 109 N THR A 9 7.582 -2.358 8.697 1.00 0.00 N ATOM 110 CA THR A 9 9.018 -2.031 8.478 1.00 0.00 C ATOM 111 C THR A 9 9.245 -0.555 8.788 1.00 0.00 C ATOM 112 O THR A 9 10.202 -0.180 9.435 1.00 0.00 O ATOM 113 CB THR A 9 9.270 -2.322 6.998 1.00 0.00 C ATOM 114 OG1 THR A 9 9.018 -3.697 6.741 1.00 0.00 O ATOM 115 CG2 THR A 9 10.723 -1.997 6.647 1.00 0.00 C ATOM 0 H THR A 9 7.072 -2.659 7.866 1.00 0.00 H new ATOM 0 HA THR A 9 9.690 -2.607 9.115 1.00 0.00 H new ATOM 0 HB THR A 9 8.607 -1.706 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.177 -3.887 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.898 -2.206 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.918 -0.943 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.390 -2.610 7.253 1.00 0.00 H new ATOM 123 N CYS A 10 8.357 0.284 8.334 1.00 0.00 N ATOM 124 CA CYS A 10 8.496 1.744 8.598 1.00 0.00 C ATOM 125 C CYS A 10 7.244 2.279 9.311 1.00 0.00 C ATOM 126 O CYS A 10 6.969 3.462 9.303 1.00 0.00 O ATOM 127 CB CYS A 10 8.667 2.375 7.219 1.00 0.00 C ATOM 128 SG CYS A 10 7.064 2.440 6.391 1.00 0.00 S ATOM 0 H CYS A 10 7.536 0.020 7.789 1.00 0.00 H new ATOM 0 HA CYS A 10 9.338 1.975 9.251 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.081 3.379 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.373 1.794 6.625 1.00 0.00 H new ATOM 133 N LEU A 11 6.497 1.408 9.940 1.00 0.00 N ATOM 134 CA LEU A 11 5.269 1.838 10.681 1.00 0.00 C ATOM 135 C LEU A 11 4.333 2.665 9.789 1.00 0.00 C ATOM 136 O LEU A 11 4.008 3.796 10.090 1.00 0.00 O ATOM 137 CB LEU A 11 5.794 2.681 11.843 1.00 0.00 C ATOM 138 CG LEU A 11 4.644 3.042 12.786 1.00 0.00 C ATOM 139 CD1 LEU A 11 4.028 1.764 13.359 1.00 0.00 C ATOM 140 CD2 LEU A 11 5.187 3.897 13.932 1.00 0.00 C ATOM 0 H LEU A 11 6.686 0.406 9.973 1.00 0.00 H new ATOM 0 HA LEU A 11 4.680 0.984 11.017 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.562 2.130 12.386 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.262 3.589 11.463 1.00 0.00 H new ATOM 0 HG LEU A 11 3.883 3.596 12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.209 2.024 14.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.648 1.147 12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.787 1.210 13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.373 4.158 14.608 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.946 3.335 14.477 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.630 4.808 13.528 1.00 0.00 H new ATOM 152 N VAL A 12 3.882 2.098 8.707 1.00 0.00 N ATOM 153 CA VAL A 12 2.942 2.830 7.808 1.00 0.00 C ATOM 154 C VAL A 12 1.752 1.929 7.460 1.00 0.00 C ATOM 155 O VAL A 12 1.916 0.767 7.144 1.00 0.00 O ATOM 156 CB VAL A 12 3.745 3.183 6.556 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.787 3.619 5.445 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.695 4.342 6.875 1.00 0.00 C ATOM 0 H VAL A 12 4.124 1.155 8.403 1.00 0.00 H new ATOM 0 HA VAL A 12 2.541 3.728 8.278 1.00 0.00 H new ATOM 0 HB VAL A 12 4.316 2.312 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.357 3.871 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.098 2.805 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.222 4.492 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.270 4.597 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.117 5.209 7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.375 4.046 7.673 1.00 0.00 H new ATOM 168 N GLN A 13 0.556 2.449 7.526 1.00 0.00 N ATOM 169 CA GLN A 13 -0.640 1.611 7.209 1.00 0.00 C ATOM 170 C GLN A 13 -1.083 1.831 5.759 1.00 0.00 C ATOM 171 O GLN A 13 -1.157 2.948 5.286 1.00 0.00 O ATOM 172 CB GLN A 13 -1.725 2.095 8.171 1.00 0.00 C ATOM 173 CG GLN A 13 -1.328 1.758 9.608 1.00 0.00 C ATOM 174 CD GLN A 13 -2.412 2.259 10.565 1.00 0.00 C ATOM 175 OE1 GLN A 13 -3.451 2.720 10.135 1.00 0.00 O ATOM 176 NE2 GLN A 13 -2.210 2.194 11.853 1.00 0.00 N ATOM 0 H GLN A 13 0.354 3.415 7.785 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.433 0.546 7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.865 3.171 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.677 1.624 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.199 0.681 9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.371 2.220 9.851 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.338 1.807 12.214 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.924 2.530 12.499 1.00 0.00 H new ATOM 185 N ASN A 14 -1.398 0.773 5.055 1.00 0.00 N ATOM 186 CA ASN A 14 -1.855 0.929 3.638 1.00 0.00 C ATOM 187 C ASN A 14 -3.050 0.012 3.364 1.00 0.00 C ATOM 188 O ASN A 14 -2.986 -1.185 3.557 1.00 0.00 O ATOM 189 CB ASN A 14 -0.658 0.541 2.756 1.00 0.00 C ATOM 190 CG ASN A 14 0.403 1.643 2.828 1.00 0.00 C ATOM 191 OD1 ASN A 14 0.117 2.747 3.245 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.620 1.397 2.424 1.00 0.00 N ATOM 0 H ASN A 14 -1.359 -0.187 5.397 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.179 1.949 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.237 -0.407 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.982 0.399 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.327 2.131 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.863 0.471 2.073 1.00 0.00 H new ATOM 199 N LYS A 15 -4.145 0.566 2.920 1.00 0.00 N ATOM 200 CA LYS A 15 -5.347 -0.273 2.641 1.00 0.00 C ATOM 201 C LYS A 15 -5.131 -1.123 1.390 1.00 0.00 C ATOM 202 O LYS A 15 -4.150 -0.967 0.689 1.00 0.00 O ATOM 203 CB LYS A 15 -6.483 0.725 2.412 1.00 0.00 C ATOM 204 CG LYS A 15 -7.470 0.649 3.577 1.00 0.00 C ATOM 205 CD LYS A 15 -8.102 2.024 3.804 1.00 0.00 C ATOM 206 CE LYS A 15 -8.083 2.354 5.297 1.00 0.00 C ATOM 207 NZ LYS A 15 -7.646 3.776 5.369 1.00 0.00 N ATOM 0 H LYS A 15 -4.260 1.563 2.738 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.560 -0.962 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.082 1.735 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.993 0.503 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.244 -0.088 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.957 0.320 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.555 2.784 3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.127 2.031 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.068 2.220 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.397 1.702 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.608 4.078 6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.702 3.871 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.322 4.374 4.852 1.00 0.00 H new ATOM 221 N PRO A 16 -6.070 -1.997 1.152 1.00 0.00 N ATOM 222 CA PRO A 16 -6.005 -2.888 -0.030 1.00 0.00 C ATOM 223 C PRO A 16 -5.825 -2.065 -1.309 1.00 0.00 C ATOM 224 O PRO A 16 -5.184 -2.494 -2.248 1.00 0.00 O ATOM 225 CB PRO A 16 -7.358 -3.599 -0.025 1.00 0.00 C ATOM 226 CG PRO A 16 -7.841 -3.506 1.387 1.00 0.00 C ATOM 227 CD PRO A 16 -7.270 -2.236 1.961 1.00 0.00 C ATOM 0 HA PRO A 16 -5.167 -3.584 0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.056 -3.122 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.259 -4.638 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.930 -3.490 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.516 -4.371 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.976 -1.409 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.025 -2.349 3.017 1.00 0.00 H new ATOM 235 N GLU A 17 -6.382 -0.883 -1.355 1.00 0.00 N ATOM 236 CA GLU A 17 -6.234 -0.037 -2.576 1.00 0.00 C ATOM 237 C GLU A 17 -4.768 0.348 -2.771 1.00 0.00 C ATOM 238 O GLU A 17 -4.299 0.505 -3.881 1.00 0.00 O ATOM 239 CB GLU A 17 -7.083 1.208 -2.314 1.00 0.00 C ATOM 240 CG GLU A 17 -7.046 2.116 -3.546 1.00 0.00 C ATOM 241 CD GLU A 17 -7.959 3.324 -3.323 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.381 3.524 -2.196 1.00 0.00 O ATOM 243 OE2 GLU A 17 -8.222 4.028 -4.284 1.00 0.00 O ATOM 0 H GLU A 17 -6.931 -0.468 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.553 -0.559 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.111 0.921 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.705 1.743 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.025 2.449 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.368 1.562 -4.428 1.00 0.00 H new ATOM 250 N ALA A 18 -4.043 0.504 -1.699 1.00 0.00 N ATOM 251 CA ALA A 18 -2.607 0.876 -1.816 1.00 0.00 C ATOM 252 C ALA A 18 -1.891 -0.062 -2.791 1.00 0.00 C ATOM 253 O ALA A 18 -2.478 -0.977 -3.334 1.00 0.00 O ATOM 254 CB ALA A 18 -2.040 0.717 -0.408 1.00 0.00 C ATOM 0 H ALA A 18 -4.385 0.389 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.475 1.889 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.981 0.974 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.572 1.379 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.162 -0.316 -0.081 1.00 0.00 H new ATOM 260 N VAL A 19 -0.628 0.156 -3.012 1.00 0.00 N ATOM 261 CA VAL A 19 0.128 -0.720 -3.950 1.00 0.00 C ATOM 262 C VAL A 19 1.619 -0.622 -3.647 1.00 0.00 C ATOM 263 O VAL A 19 2.334 -1.605 -3.636 1.00 0.00 O ATOM 264 CB VAL A 19 -0.171 -0.164 -5.341 1.00 0.00 C ATOM 265 CG1 VAL A 19 -1.275 -0.993 -5.997 1.00 0.00 C ATOM 266 CG2 VAL A 19 -0.632 1.292 -5.223 1.00 0.00 C ATOM 0 H VAL A 19 -0.083 0.904 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.156 -1.769 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 19 0.732 -0.212 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.488 -0.595 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.949 -2.030 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.177 -0.946 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.845 1.688 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.533 1.340 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.154 1.886 -4.757 1.00 0.00 H new ATOM 276 N LYS A 20 2.086 0.563 -3.385 1.00 0.00 N ATOM 277 CA LYS A 20 3.524 0.743 -3.061 1.00 0.00 C ATOM 278 C LYS A 20 3.655 1.725 -1.899 1.00 0.00 C ATOM 279 O LYS A 20 3.425 2.909 -2.039 1.00 0.00 O ATOM 280 CB LYS A 20 4.172 1.300 -4.331 1.00 0.00 C ATOM 281 CG LYS A 20 4.084 0.256 -5.445 1.00 0.00 C ATOM 282 CD LYS A 20 4.664 0.836 -6.736 1.00 0.00 C ATOM 283 CE LYS A 20 4.594 -0.216 -7.844 1.00 0.00 C ATOM 284 NZ LYS A 20 5.154 0.458 -9.048 1.00 0.00 N ATOM 0 H LYS A 20 1.531 1.419 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 20 4.006 -0.187 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.669 2.218 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.214 1.556 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.631 -0.643 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.046 -0.039 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.108 1.726 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.697 1.144 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.171 -1.103 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.568 -0.542 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.140 -0.201 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.580 1.295 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.133 0.751 -8.858 1.00 0.00 H new ATOM 298 N CYS A 21 4.009 1.226 -0.751 1.00 0.00 N ATOM 299 CA CYS A 21 4.150 2.100 0.448 1.00 0.00 C ATOM 300 C CYS A 21 4.934 3.375 0.108 1.00 0.00 C ATOM 301 O CYS A 21 5.913 3.353 -0.602 1.00 0.00 O ATOM 302 CB CYS A 21 4.905 1.245 1.472 1.00 0.00 C ATOM 303 SG CYS A 21 4.811 2.011 3.107 1.00 0.00 S ATOM 0 H CYS A 21 4.209 0.239 -0.588 1.00 0.00 H new ATOM 0 HA CYS A 21 3.184 2.433 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.478 0.243 1.506 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.947 1.138 1.171 1.00 0.00 H new ATOM 308 N VAL A 22 4.484 4.493 0.594 1.00 0.00 N ATOM 309 CA VAL A 22 5.176 5.779 0.290 1.00 0.00 C ATOM 310 C VAL A 22 6.581 5.834 0.905 1.00 0.00 C ATOM 311 O VAL A 22 7.524 6.271 0.277 1.00 0.00 O ATOM 312 CB VAL A 22 4.290 6.845 0.930 1.00 0.00 C ATOM 313 CG1 VAL A 22 5.014 8.191 0.905 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.974 6.954 0.153 1.00 0.00 C ATOM 0 H VAL A 22 3.662 4.576 1.193 1.00 0.00 H new ATOM 0 HA VAL A 22 5.311 5.913 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 22 4.076 6.567 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.382 8.953 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.948 8.112 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.229 8.469 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.343 7.715 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.183 7.230 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.458 5.994 0.175 1.00 0.00 H new ATOM 324 N ALA A 23 6.719 5.433 2.138 1.00 0.00 N ATOM 325 CA ALA A 23 8.055 5.505 2.804 1.00 0.00 C ATOM 326 C ALA A 23 9.067 4.533 2.187 1.00 0.00 C ATOM 327 O ALA A 23 10.230 4.852 2.045 1.00 0.00 O ATOM 328 CB ALA A 23 7.784 5.136 4.262 1.00 0.00 C ATOM 0 H ALA A 23 5.966 5.058 2.715 1.00 0.00 H new ATOM 0 HA ALA A 23 8.496 6.495 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.717 5.165 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.079 5.847 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.362 4.132 4.311 1.00 0.00 H new ATOM 334 N CYS A 24 8.653 3.349 1.841 1.00 0.00 N ATOM 335 CA CYS A 24 9.626 2.370 1.261 1.00 0.00 C ATOM 336 C CYS A 24 8.964 1.460 0.222 1.00 0.00 C ATOM 337 O CYS A 24 9.435 0.372 -0.041 1.00 0.00 O ATOM 338 CB CYS A 24 10.103 1.554 2.460 1.00 0.00 C ATOM 339 SG CYS A 24 8.725 0.571 3.099 1.00 0.00 S ATOM 0 H CYS A 24 7.694 3.013 1.931 1.00 0.00 H new ATOM 0 HA CYS A 24 10.440 2.872 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.925 0.901 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.484 2.217 3.237 1.00 0.00 H new ATOM 344 N GLU A 25 7.895 1.919 -0.375 1.00 0.00 N ATOM 345 CA GLU A 25 7.164 1.131 -1.428 1.00 0.00 C ATOM 346 C GLU A 25 7.300 -0.386 -1.241 1.00 0.00 C ATOM 347 O GLU A 25 8.166 -1.018 -1.815 1.00 0.00 O ATOM 348 CB GLU A 25 7.806 1.570 -2.742 1.00 0.00 C ATOM 349 CG GLU A 25 7.464 3.039 -3.000 1.00 0.00 C ATOM 350 CD GLU A 25 8.211 3.528 -4.241 1.00 0.00 C ATOM 351 OE1 GLU A 25 8.919 2.731 -4.834 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.065 4.692 -4.577 1.00 0.00 O ATOM 0 H GLU A 25 7.483 2.831 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 25 6.092 1.322 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.887 1.438 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.445 0.950 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.389 3.153 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.738 3.644 -2.136 1.00 0.00 H new ATOM 359 N THR A 26 6.442 -0.973 -0.453 1.00 0.00 N ATOM 360 CA THR A 26 6.507 -2.449 -0.236 1.00 0.00 C ATOM 361 C THR A 26 6.338 -3.189 -1.562 1.00 0.00 C ATOM 362 O THR A 26 5.769 -2.668 -2.499 1.00 0.00 O ATOM 363 CB THR A 26 5.336 -2.762 0.694 1.00 0.00 C ATOM 364 OG1 THR A 26 4.247 -1.904 0.387 1.00 0.00 O ATOM 365 CG2 THR A 26 5.763 -2.549 2.146 1.00 0.00 C ATOM 0 H THR A 26 5.696 -0.494 0.052 1.00 0.00 H new ATOM 0 HA THR A 26 7.463 -2.760 0.184 1.00 0.00 H new ATOM 0 HB THR A 26 5.031 -3.799 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.452 -2.194 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.926 -2.773 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.598 -3.209 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.070 -1.513 2.287 1.00 0.00 H new ATOM 373 N PRO A 27 6.837 -4.395 -1.589 1.00 0.00 N ATOM 374 CA PRO A 27 6.741 -5.239 -2.799 1.00 0.00 C ATOM 375 C PRO A 27 5.405 -5.996 -2.839 1.00 0.00 C ATOM 376 O PRO A 27 5.329 -7.092 -3.355 1.00 0.00 O ATOM 377 CB PRO A 27 7.898 -6.217 -2.634 1.00 0.00 C ATOM 378 CG PRO A 27 8.162 -6.291 -1.156 1.00 0.00 C ATOM 379 CD PRO A 27 7.543 -5.076 -0.502 1.00 0.00 C ATOM 0 HA PRO A 27 6.788 -4.661 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.642 -7.198 -3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.781 -5.873 -3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.737 -7.204 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.234 -6.321 -0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.860 -5.361 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.303 -4.433 -0.058 1.00 0.00 H new ATOM 387 N LYS A 28 4.353 -5.433 -2.294 1.00 0.00 N ATOM 388 CA LYS A 28 3.038 -6.152 -2.309 1.00 0.00 C ATOM 389 C LYS A 28 2.729 -6.679 -3.717 1.00 0.00 C ATOM 390 O LYS A 28 2.403 -7.838 -3.879 1.00 0.00 O ATOM 391 CB LYS A 28 1.983 -5.128 -1.871 1.00 0.00 C ATOM 392 CG LYS A 28 1.541 -5.434 -0.437 1.00 0.00 C ATOM 393 CD LYS A 28 0.754 -6.747 -0.416 1.00 0.00 C ATOM 394 CE LYS A 28 -0.714 -6.470 -0.749 1.00 0.00 C ATOM 395 NZ LYS A 28 -1.194 -7.709 -1.424 1.00 0.00 N ATOM 0 H LYS A 28 4.346 -4.518 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 28 3.051 -7.014 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.393 -4.120 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.125 -5.163 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.411 -5.508 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.924 -4.621 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.175 -7.447 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.833 -7.215 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.291 -6.262 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.815 -5.601 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.195 -7.597 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.630 -7.878 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.092 -8.518 -0.778 1.00 0.00 H new ATOM 409 N PRO A 29 2.852 -5.821 -4.697 1.00 0.00 N ATOM 410 CA PRO A 29 2.588 -6.238 -6.096 1.00 0.00 C ATOM 411 C PRO A 29 3.536 -7.375 -6.493 1.00 0.00 C ATOM 412 O PRO A 29 4.692 -7.393 -6.115 1.00 0.00 O ATOM 413 CB PRO A 29 2.884 -4.986 -6.923 1.00 0.00 C ATOM 414 CG PRO A 29 2.869 -3.847 -5.950 1.00 0.00 C ATOM 415 CD PRO A 29 3.229 -4.407 -4.602 1.00 0.00 C ATOM 0 HA PRO A 29 1.572 -6.605 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.851 -5.064 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.135 -4.845 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.580 -3.077 -6.249 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.885 -3.379 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.292 -4.290 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.688 -3.902 -3.802 1.00 0.00 H new ATOM 423 N GLY A 30 3.059 -8.321 -7.254 1.00 0.00 N ATOM 424 CA GLY A 30 3.935 -9.452 -7.677 1.00 0.00 C ATOM 425 C GLY A 30 3.895 -10.572 -6.630 1.00 0.00 C ATOM 426 O GLY A 30 4.385 -11.659 -6.860 1.00 0.00 O ATOM 0 H GLY A 30 2.101 -8.361 -7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.606 -9.835 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.959 -9.101 -7.805 1.00 0.00 H new ATOM 430 N THR A 31 3.317 -10.323 -5.485 1.00 0.00 N ATOM 431 CA THR A 31 3.254 -11.384 -4.441 1.00 0.00 C ATOM 432 C THR A 31 1.836 -11.486 -3.882 1.00 0.00 C ATOM 433 O THR A 31 1.073 -10.541 -3.920 1.00 0.00 O ATOM 434 CB THR A 31 4.233 -10.934 -3.355 1.00 0.00 C ATOM 435 OG1 THR A 31 3.796 -9.698 -2.805 1.00 0.00 O ATOM 436 CG2 THR A 31 5.628 -10.764 -3.961 1.00 0.00 C ATOM 0 H THR A 31 2.888 -9.434 -5.229 1.00 0.00 H new ATOM 0 HA THR A 31 3.512 -12.368 -4.834 1.00 0.00 H new ATOM 0 HB THR A 31 4.272 -11.686 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.000 -9.389 -3.286 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.325 -10.443 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.962 -11.714 -4.378 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.593 -10.013 -4.750 1.00 0.00 H new ATOM 444 N GLY A 32 1.474 -12.626 -3.363 1.00 0.00 N ATOM 445 CA GLY A 32 0.105 -12.787 -2.804 1.00 0.00 C ATOM 446 C GLY A 32 -0.002 -14.141 -2.108 1.00 0.00 C ATOM 447 O GLY A 32 0.920 -14.932 -2.119 1.00 0.00 O ATOM 0 H GLY A 32 2.068 -13.453 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.108 -11.985 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.636 -12.715 -3.600 1.00 0.00 H new ATOM 451 N VAL A 33 -1.122 -14.417 -1.501 1.00 0.00 N ATOM 452 CA VAL A 33 -1.287 -15.723 -0.805 1.00 0.00 C ATOM 453 C VAL A 33 -2.474 -16.489 -1.397 1.00 0.00 C ATOM 454 O VAL A 33 -3.556 -15.955 -1.551 1.00 0.00 O ATOM 455 CB VAL A 33 -1.551 -15.360 0.657 1.00 0.00 C ATOM 456 CG1 VAL A 33 -1.725 -16.638 1.478 1.00 0.00 C ATOM 457 CG2 VAL A 33 -0.366 -14.558 1.204 1.00 0.00 C ATOM 0 H VAL A 33 -1.930 -13.795 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.413 -16.365 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.459 -14.760 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.913 -16.378 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.568 -17.209 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.818 -17.239 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.552 -14.298 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.542 -15.158 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.243 -13.646 0.619 1.00 0.00 H new ATOM 467 N LYS A 34 -2.279 -17.734 -1.733 1.00 0.00 N ATOM 468 CA LYS A 34 -3.393 -18.534 -2.317 1.00 0.00 C ATOM 469 C LYS A 34 -4.529 -18.662 -1.299 1.00 0.00 C ATOM 470 O LYS A 34 -5.694 -18.563 -1.632 1.00 0.00 O ATOM 471 CB LYS A 34 -2.779 -19.904 -2.610 1.00 0.00 C ATOM 472 CG LYS A 34 -1.718 -19.768 -3.706 1.00 0.00 C ATOM 473 CD LYS A 34 -1.073 -21.132 -3.964 1.00 0.00 C ATOM 474 CE LYS A 34 -0.001 -20.995 -5.048 1.00 0.00 C ATOM 475 NZ LYS A 34 0.574 -22.362 -5.198 1.00 0.00 N ATOM 0 H LYS A 34 -1.395 -18.233 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.814 -18.076 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.331 -20.314 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.555 -20.601 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.172 -19.390 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.959 -19.046 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.629 -21.515 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.831 -21.851 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.431 -20.643 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.764 -20.275 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.317 -22.348 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.982 -22.668 -4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.176 -23.025 -5.482 1.00 0.00 H new ATOM 489 N ARG A 35 -4.194 -18.886 -0.057 1.00 0.00 N ATOM 490 CA ARG A 35 -5.245 -19.023 0.991 1.00 0.00 C ATOM 491 C ARG A 35 -6.267 -20.084 0.574 1.00 0.00 C ATOM 492 O ARG A 35 -7.358 -20.076 1.120 1.00 0.00 O ATOM 493 CB ARG A 35 -5.903 -17.645 1.080 1.00 0.00 C ATOM 494 CG ARG A 35 -4.873 -16.617 1.554 1.00 0.00 C ATOM 495 CD ARG A 35 -5.536 -15.244 1.674 1.00 0.00 C ATOM 496 NE ARG A 35 -4.434 -14.311 2.059 1.00 0.00 N ATOM 497 CZ ARG A 35 -4.060 -14.187 3.311 1.00 0.00 C ATOM 498 NH1 ARG A 35 -4.605 -14.914 4.252 1.00 0.00 N ATOM 499 NH2 ARG A 35 -3.119 -13.337 3.620 1.00 0.00 N ATOM 500 OXT ARG A 35 -5.940 -20.887 -0.284 1.00 0.00 O ATOM 0 H ARG A 35 -3.235 -18.980 0.277 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.834 -19.337 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.299 -17.356 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.746 -17.677 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.460 -16.918 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.041 -16.570 0.851 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.995 -14.944 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.326 -15.252 2.425 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.965 -13.762 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.332 -15.590 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.303 -14.805 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.680 -12.775 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.823 -13.235 4.591 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.611 0.846 4.470 1.00 0.00 ZN