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 Set 1.1: A 1 ALA N :NH3+ 177:sc= 0.319 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot -24:sc= 1.11 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 14 ASN : amide:sc= -4.7 K(o=-4.7,f=-14!) 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 -149:sc= -0.843 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 -7.710 -5.594 9.577 1.00 0.00 N ATOM 2 CA ALA A 1 -8.544 -6.638 8.915 1.00 0.00 C ATOM 3 C ALA A 1 -7.664 -7.568 8.078 1.00 0.00 C ATOM 4 O ALA A 1 -6.590 -7.204 7.642 1.00 0.00 O ATOM 5 CB ALA A 1 -9.512 -5.870 8.014 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.325 -4.939 10.101 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.045 -6.047 10.236 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.177 -5.067 8.856 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.069 -7.260 9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.160 -6.574 7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.120 -5.199 8.621 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.947 -5.289 7.285 1.00 0.00 H new ATOM 11 N ILE A 2 -8.121 -8.767 7.847 1.00 0.00 N ATOM 12 CA ILE A 2 -7.331 -9.737 7.037 1.00 0.00 C ATOM 13 C ILE A 2 -7.156 -9.215 5.610 1.00 0.00 C ATOM 14 O ILE A 2 -6.088 -9.296 5.033 1.00 0.00 O ATOM 15 CB ILE A 2 -8.175 -11.014 7.040 1.00 0.00 C ATOM 16 CG1 ILE A 2 -8.184 -11.617 8.448 1.00 0.00 C ATOM 17 CG2 ILE A 2 -7.588 -12.026 6.056 1.00 0.00 C ATOM 18 CD1 ILE A 2 -9.279 -12.685 8.540 1.00 0.00 C ATOM 0 H ILE A 2 -9.015 -9.120 8.187 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.331 -9.900 7.438 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.194 -10.771 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.212 -12.057 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.359 -10.836 9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.193 -12.933 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.585 -11.599 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.567 -12.269 6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.285 -13.114 9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.248 -12.231 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.083 -13.471 7.810 1.00 0.00 H new ATOM 30 N GLY A 3 -8.199 -8.685 5.036 1.00 0.00 N ATOM 31 CA GLY A 3 -8.105 -8.165 3.644 1.00 0.00 C ATOM 32 C GLY A 3 -7.116 -6.997 3.580 1.00 0.00 C ATOM 33 O GLY A 3 -6.393 -6.837 2.616 1.00 0.00 O ATOM 0 H GLY A 3 -9.116 -8.589 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.783 -8.961 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.087 -7.838 3.303 1.00 0.00 H new ATOM 37 N THR A 4 -7.083 -6.171 4.590 1.00 0.00 N ATOM 38 CA THR A 4 -6.148 -5.008 4.569 1.00 0.00 C ATOM 39 C THR A 4 -4.733 -5.438 4.967 1.00 0.00 C ATOM 40 O THR A 4 -4.524 -6.497 5.526 1.00 0.00 O ATOM 41 CB THR A 4 -6.707 -4.026 5.601 1.00 0.00 C ATOM 42 OG1 THR A 4 -6.600 -4.593 6.902 1.00 0.00 O ATOM 43 CG2 THR A 4 -8.177 -3.738 5.292 1.00 0.00 C ATOM 0 H THR A 4 -7.661 -6.250 5.427 1.00 0.00 H new ATOM 0 HA THR A 4 -6.077 -4.569 3.574 1.00 0.00 H new ATOM 0 HB THR A 4 -6.139 -3.097 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.565 -5.570 6.831 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.573 -3.039 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.261 -3.303 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.746 -4.667 5.331 1.00 0.00 H new ATOM 51 N TRP A 5 -3.763 -4.608 4.690 1.00 0.00 N ATOM 52 CA TRP A 5 -2.359 -4.940 5.056 1.00 0.00 C ATOM 53 C TRP A 5 -1.620 -3.667 5.486 1.00 0.00 C ATOM 54 O TRP A 5 -1.944 -2.573 5.063 1.00 0.00 O ATOM 55 CB TRP A 5 -1.741 -5.550 3.793 1.00 0.00 C ATOM 56 CG TRP A 5 -1.586 -4.507 2.728 1.00 0.00 C ATOM 57 CD1 TRP A 5 -2.583 -4.039 1.944 1.00 0.00 C ATOM 58 CD2 TRP A 5 -0.378 -3.814 2.298 1.00 0.00 C ATOM 59 NE1 TRP A 5 -2.063 -3.100 1.072 1.00 0.00 N ATOM 60 CE2 TRP A 5 -0.716 -2.928 1.249 1.00 0.00 C ATOM 61 CE3 TRP A 5 0.961 -3.862 2.711 1.00 0.00 C ATOM 62 CZ2 TRP A 5 0.234 -2.121 0.633 1.00 0.00 C ATOM 63 CZ3 TRP A 5 1.921 -3.047 2.090 1.00 0.00 C ATOM 64 CH2 TRP A 5 1.557 -2.179 1.054 1.00 0.00 C ATOM 0 H TRP A 5 -3.886 -3.709 4.223 1.00 0.00 H new ATOM 0 HA TRP A 5 -2.297 -5.635 5.893 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.769 -5.984 4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.372 -6.361 3.427 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.617 -4.348 1.991 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.617 -2.596 0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 5 1.255 -4.528 3.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.054 -1.454 -0.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.950 -3.090 2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 5 2.303 -1.556 0.583 1.00 0.00 H new ATOM 75 N ASP A 6 -0.631 -3.800 6.327 1.00 0.00 N ATOM 76 CA ASP A 6 0.127 -2.596 6.788 1.00 0.00 C ATOM 77 C ASP A 6 1.629 -2.875 6.750 1.00 0.00 C ATOM 78 O ASP A 6 2.066 -4.001 6.893 1.00 0.00 O ATOM 79 CB ASP A 6 -0.344 -2.330 8.224 1.00 0.00 C ATOM 80 CG ASP A 6 -1.833 -1.976 8.212 1.00 0.00 C ATOM 81 OD1 ASP A 6 -2.290 -1.464 7.203 1.00 0.00 O ATOM 82 OD2 ASP A 6 -2.490 -2.226 9.208 1.00 0.00 O ATOM 0 H ASP A 6 -0.313 -4.688 6.716 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.052 -1.732 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.173 -3.210 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.232 -1.515 8.662 1.00 0.00 H new ATOM 87 N CYS A 7 2.426 -1.862 6.550 1.00 0.00 N ATOM 88 CA CYS A 7 3.896 -2.074 6.494 1.00 0.00 C ATOM 89 C CYS A 7 4.518 -1.915 7.884 1.00 0.00 C ATOM 90 O CYS A 7 4.570 -0.835 8.437 1.00 0.00 O ATOM 91 CB CYS A 7 4.409 -0.994 5.542 1.00 0.00 C ATOM 92 SG CYS A 7 6.103 -1.387 5.054 1.00 0.00 S ATOM 0 H CYS A 7 2.121 -0.897 6.423 1.00 0.00 H new ATOM 0 HA CYS A 7 4.156 -3.077 6.155 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.769 -0.935 4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.375 -0.019 6.027 1.00 0.00 H new ATOM 97 N ASP A 8 4.994 -2.993 8.446 1.00 0.00 N ATOM 98 CA ASP A 8 5.624 -2.916 9.805 1.00 0.00 C ATOM 99 C ASP A 8 7.068 -2.412 9.700 1.00 0.00 C ATOM 100 O ASP A 8 7.662 -1.993 10.674 1.00 0.00 O ATOM 101 CB ASP A 8 5.607 -4.345 10.371 1.00 0.00 C ATOM 102 CG ASP A 8 4.189 -4.914 10.303 1.00 0.00 C ATOM 103 OD1 ASP A 8 3.292 -4.281 10.836 1.00 0.00 O ATOM 104 OD2 ASP A 8 4.022 -5.974 9.723 1.00 0.00 O ATOM 0 H ASP A 8 4.976 -3.923 8.028 1.00 0.00 H new ATOM 0 HA ASP A 8 5.082 -2.224 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.290 -4.978 9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.958 -4.341 11.403 1.00 0.00 H new ATOM 109 N THR A 9 7.642 -2.459 8.529 1.00 0.00 N ATOM 110 CA THR A 9 9.050 -1.994 8.370 1.00 0.00 C ATOM 111 C THR A 9 9.176 -0.504 8.712 1.00 0.00 C ATOM 112 O THR A 9 10.095 -0.095 9.392 1.00 0.00 O ATOM 113 CB THR A 9 9.379 -2.240 6.898 1.00 0.00 C ATOM 114 OG1 THR A 9 9.280 -3.632 6.618 1.00 0.00 O ATOM 115 CG2 THR A 9 10.801 -1.757 6.605 1.00 0.00 C ATOM 0 H THR A 9 7.198 -2.799 7.676 1.00 0.00 H new ATOM 0 HA THR A 9 9.732 -2.520 9.038 1.00 0.00 H new ATOM 0 HB THR A 9 8.676 -1.693 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.489 -3.791 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.036 -1.932 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.875 -0.691 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.507 -2.303 7.231 1.00 0.00 H new ATOM 123 N CYS A 10 8.271 0.312 8.245 1.00 0.00 N ATOM 124 CA CYS A 10 8.366 1.772 8.551 1.00 0.00 C ATOM 125 C CYS A 10 7.119 2.269 9.302 1.00 0.00 C ATOM 126 O CYS A 10 6.796 3.441 9.280 1.00 0.00 O ATOM 127 CB CYS A 10 8.511 2.454 7.188 1.00 0.00 C ATOM 128 SG CYS A 10 6.909 2.486 6.353 1.00 0.00 S ATOM 0 H CYS A 10 7.475 0.036 7.669 1.00 0.00 H new ATOM 0 HA CYS A 10 9.208 1.997 9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.886 3.469 7.316 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.240 1.920 6.578 1.00 0.00 H new ATOM 133 N LEU A 11 6.432 1.388 9.981 1.00 0.00 N ATOM 134 CA LEU A 11 5.220 1.800 10.759 1.00 0.00 C ATOM 135 C LEU A 11 4.214 2.555 9.881 1.00 0.00 C ATOM 136 O LEU A 11 3.750 3.622 10.232 1.00 0.00 O ATOM 137 CB LEU A 11 5.754 2.710 11.867 1.00 0.00 C ATOM 138 CG LEU A 11 6.623 1.896 12.827 1.00 0.00 C ATOM 139 CD1 LEU A 11 7.263 2.833 13.855 1.00 0.00 C ATOM 140 CD2 LEU A 11 5.752 0.867 13.552 1.00 0.00 C ATOM 0 H LEU A 11 6.658 0.395 10.032 1.00 0.00 H new ATOM 0 HA LEU A 11 4.685 0.935 11.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.337 3.523 11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.925 3.165 12.409 1.00 0.00 H new ATOM 0 HG LEU A 11 7.404 1.384 12.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.882 2.253 14.540 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.881 3.569 13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.482 3.344 14.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.369 0.286 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.973 1.381 14.114 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.293 0.200 12.822 1.00 0.00 H new ATOM 152 N VAL A 12 3.863 2.006 8.753 1.00 0.00 N ATOM 153 CA VAL A 12 2.875 2.686 7.861 1.00 0.00 C ATOM 154 C VAL A 12 1.768 1.711 7.444 1.00 0.00 C ATOM 155 O VAL A 12 2.033 0.594 7.047 1.00 0.00 O ATOM 156 CB VAL A 12 3.685 3.142 6.647 1.00 0.00 C ATOM 157 CG1 VAL A 12 2.737 3.550 5.519 1.00 0.00 C ATOM 158 CG2 VAL A 12 4.547 4.346 7.034 1.00 0.00 C ATOM 0 H VAL A 12 4.216 1.114 8.407 1.00 0.00 H new ATOM 0 HA VAL A 12 2.381 3.522 8.356 1.00 0.00 H new ATOM 0 HB VAL A 12 4.321 2.323 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.317 3.874 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.116 2.699 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.101 4.368 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.125 4.672 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.905 5.160 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.226 4.064 7.839 1.00 0.00 H new ATOM 168 N GLN A 13 0.530 2.122 7.524 1.00 0.00 N ATOM 169 CA GLN A 13 -0.581 1.209 7.124 1.00 0.00 C ATOM 170 C GLN A 13 -1.009 1.502 5.681 1.00 0.00 C ATOM 171 O GLN A 13 -1.137 2.644 5.285 1.00 0.00 O ATOM 172 CB GLN A 13 -1.728 1.512 8.094 1.00 0.00 C ATOM 173 CG GLN A 13 -1.339 1.086 9.512 1.00 0.00 C ATOM 174 CD GLN A 13 -2.484 1.407 10.472 1.00 0.00 C ATOM 175 OE1 GLN A 13 -3.151 2.413 10.330 1.00 0.00 O ATOM 176 NE2 GLN A 13 -2.750 0.583 11.447 1.00 0.00 N ATOM 0 H GLN A 13 0.241 3.045 7.847 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.284 0.161 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.959 2.577 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.629 0.985 7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.119 0.019 9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.433 1.605 9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.191 -0.262 11.568 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.517 0.783 12.089 1.00 0.00 H new ATOM 185 N ASN A 14 -1.243 0.482 4.894 1.00 0.00 N ATOM 186 CA ASN A 14 -1.675 0.721 3.478 1.00 0.00 C ATOM 187 C ASN A 14 -3.053 0.109 3.231 1.00 0.00 C ATOM 188 O ASN A 14 -3.250 -1.082 3.372 1.00 0.00 O ATOM 189 CB ASN A 14 -0.631 0.044 2.575 1.00 0.00 C ATOM 190 CG ASN A 14 0.746 0.656 2.822 1.00 0.00 C ATOM 191 OD1 ASN A 14 1.018 1.155 3.896 1.00 0.00 O ATOM 192 ND2 ASN A 14 1.632 0.648 1.864 1.00 0.00 N ATOM 0 H ASN A 14 -1.155 -0.498 5.165 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.745 1.789 3.270 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.604 -1.027 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.910 0.165 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.552 1.060 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.404 0.229 0.962 1.00 0.00 H new ATOM 199 N LYS A 15 -4.006 0.916 2.854 1.00 0.00 N ATOM 200 CA LYS A 15 -5.371 0.384 2.590 1.00 0.00 C ATOM 201 C LYS A 15 -5.340 -0.559 1.385 1.00 0.00 C ATOM 202 O LYS A 15 -4.339 -0.670 0.707 1.00 0.00 O ATOM 203 CB LYS A 15 -6.226 1.613 2.280 1.00 0.00 C ATOM 204 CG LYS A 15 -7.207 1.857 3.428 1.00 0.00 C ATOM 205 CD LYS A 15 -8.476 2.514 2.882 1.00 0.00 C ATOM 206 CE LYS A 15 -8.252 4.022 2.754 1.00 0.00 C ATOM 207 NZ LYS A 15 -9.098 4.626 3.821 1.00 0.00 N ATOM 0 H LYS A 15 -3.898 1.921 2.718 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.764 -0.182 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.589 2.486 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.771 1.464 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.454 0.914 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.749 2.497 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.730 2.089 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.317 2.315 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.201 4.278 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.543 4.383 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.999 5.661 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.093 4.370 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.793 4.269 4.749 1.00 0.00 H new ATOM 221 N PRO A 16 -6.448 -1.207 1.160 1.00 0.00 N ATOM 222 CA PRO A 16 -6.566 -2.158 0.024 1.00 0.00 C ATOM 223 C PRO A 16 -6.235 -1.451 -1.293 1.00 0.00 C ATOM 224 O PRO A 16 -5.689 -2.037 -2.207 1.00 0.00 O ATOM 225 CB PRO A 16 -8.035 -2.583 0.055 1.00 0.00 C ATOM 226 CG PRO A 16 -8.493 -2.294 1.448 1.00 0.00 C ATOM 227 CD PRO A 16 -7.687 -1.121 1.937 1.00 0.00 C ATOM 0 HA PRO A 16 -5.883 -3.004 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.622 -2.027 -0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.145 -3.641 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.558 -2.065 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.343 -3.161 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.205 -0.178 1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.494 -1.185 3.008 1.00 0.00 H new ATOM 235 N GLU A 17 -6.566 -0.193 -1.393 1.00 0.00 N ATOM 236 CA GLU A 17 -6.278 0.564 -2.645 1.00 0.00 C ATOM 237 C GLU A 17 -4.765 0.734 -2.811 1.00 0.00 C ATOM 238 O GLU A 17 -4.239 0.699 -3.906 1.00 0.00 O ATOM 239 CB GLU A 17 -6.954 1.923 -2.446 1.00 0.00 C ATOM 240 CG GLU A 17 -8.460 1.722 -2.258 1.00 0.00 C ATOM 241 CD GLU A 17 -9.066 1.154 -3.542 1.00 0.00 C ATOM 242 OE1 GLU A 17 -8.449 1.308 -4.583 1.00 0.00 O ATOM 243 OE2 GLU A 17 -10.139 0.580 -3.463 1.00 0.00 O ATOM 0 H GLU A 17 -7.025 0.346 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.644 0.055 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.532 2.427 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.767 2.564 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.645 1.044 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.935 2.671 -2.008 1.00 0.00 H new ATOM 250 N ALA A 18 -4.066 0.919 -1.725 1.00 0.00 N ATOM 251 CA ALA A 18 -2.585 1.095 -1.799 1.00 0.00 C ATOM 252 C ALA A 18 -1.914 -0.193 -2.288 1.00 0.00 C ATOM 253 O ALA A 18 -2.458 -1.273 -2.178 1.00 0.00 O ATOM 254 CB ALA A 18 -2.154 1.406 -0.368 1.00 0.00 C ATOM 0 H ALA A 18 -4.458 0.956 -0.784 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.301 1.883 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.074 1.550 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.651 2.314 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.429 0.576 0.283 1.00 0.00 H new ATOM 260 N VAL A 19 -0.727 -0.080 -2.819 1.00 0.00 N ATOM 261 CA VAL A 19 0.003 -1.283 -3.312 1.00 0.00 C ATOM 262 C VAL A 19 1.499 -1.074 -3.103 1.00 0.00 C ATOM 263 O VAL A 19 2.216 -1.964 -2.688 1.00 0.00 O ATOM 264 CB VAL A 19 -0.326 -1.377 -4.804 1.00 0.00 C ATOM 265 CG1 VAL A 19 0.534 -2.463 -5.454 1.00 0.00 C ATOM 266 CG2 VAL A 19 -1.804 -1.733 -4.979 1.00 0.00 C ATOM 0 H VAL A 19 -0.227 0.802 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.283 -2.195 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.120 -0.417 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.297 -2.527 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.588 -2.214 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.330 -3.422 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.039 -1.800 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.006 -2.692 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.421 -0.961 -4.519 1.00 0.00 H new ATOM 276 N LYS A 20 1.973 0.113 -3.371 1.00 0.00 N ATOM 277 CA LYS A 20 3.420 0.399 -3.171 1.00 0.00 C ATOM 278 C LYS A 20 3.572 1.457 -2.072 1.00 0.00 C ATOM 279 O LYS A 20 3.360 2.635 -2.287 1.00 0.00 O ATOM 280 CB LYS A 20 3.938 0.915 -4.520 1.00 0.00 C ATOM 281 CG LYS A 20 3.756 -0.174 -5.579 1.00 0.00 C ATOM 282 CD LYS A 20 4.259 0.330 -6.933 1.00 0.00 C ATOM 283 CE LYS A 20 4.135 -0.794 -7.963 1.00 0.00 C ATOM 284 NZ LYS A 20 4.656 -0.216 -9.232 1.00 0.00 N ATOM 0 H LYS A 20 1.420 0.896 -3.720 1.00 0.00 H new ATOM 0 HA LYS A 20 3.984 -0.480 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.397 1.815 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.990 1.188 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.303 -1.071 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.704 -0.451 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.679 1.197 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.297 0.653 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.711 -1.669 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.099 -1.116 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.603 -0.930 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.084 0.611 -9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.646 0.075 -9.100 1.00 0.00 H new ATOM 298 N CYS A 21 3.916 1.028 -0.891 1.00 0.00 N ATOM 299 CA CYS A 21 4.062 1.973 0.264 1.00 0.00 C ATOM 300 C CYS A 21 4.842 3.227 -0.140 1.00 0.00 C ATOM 301 O CYS A 21 5.866 3.170 -0.779 1.00 0.00 O ATOM 302 CB CYS A 21 4.830 1.186 1.336 1.00 0.00 C ATOM 303 SG CYS A 21 4.724 2.042 2.928 1.00 0.00 S ATOM 0 H CYS A 21 4.106 0.051 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 21 3.092 2.317 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.418 0.181 1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.874 1.077 1.041 1.00 0.00 H new ATOM 308 N VAL A 22 4.336 4.367 0.224 1.00 0.00 N ATOM 309 CA VAL A 22 5.013 5.650 -0.126 1.00 0.00 C ATOM 310 C VAL A 22 6.346 5.804 0.616 1.00 0.00 C ATOM 311 O VAL A 22 7.331 6.245 0.061 1.00 0.00 O ATOM 312 CB VAL A 22 4.032 6.721 0.337 1.00 0.00 C ATOM 313 CG1 VAL A 22 4.691 8.099 0.244 1.00 0.00 C ATOM 314 CG2 VAL A 22 2.784 6.688 -0.550 1.00 0.00 C ATOM 0 H VAL A 22 3.472 4.470 0.756 1.00 0.00 H new ATOM 0 HA VAL A 22 5.250 5.709 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 22 3.748 6.528 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.987 8.862 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.577 8.122 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.979 8.296 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.082 7.454 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.068 6.879 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.312 5.708 -0.478 1.00 0.00 H new ATOM 324 N ALA A 23 6.370 5.482 1.880 1.00 0.00 N ATOM 325 CA ALA A 23 7.620 5.653 2.679 1.00 0.00 C ATOM 326 C ALA A 23 8.766 4.772 2.168 1.00 0.00 C ATOM 327 O ALA A 23 9.910 5.181 2.159 1.00 0.00 O ATOM 328 CB ALA A 23 7.229 5.248 4.100 1.00 0.00 C ATOM 0 H ALA A 23 5.575 5.106 2.397 1.00 0.00 H new ATOM 0 HA ALA A 23 7.990 6.676 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.094 5.344 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.429 5.897 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.885 4.214 4.102 1.00 0.00 H new ATOM 334 N CYS A 24 8.486 3.572 1.757 1.00 0.00 N ATOM 335 CA CYS A 24 9.594 2.691 1.272 1.00 0.00 C ATOM 336 C CYS A 24 9.096 1.693 0.223 1.00 0.00 C ATOM 337 O CYS A 24 9.715 0.675 -0.008 1.00 0.00 O ATOM 338 CB CYS A 24 10.073 1.949 2.517 1.00 0.00 C ATOM 339 SG CYS A 24 8.770 0.827 3.071 1.00 0.00 S ATOM 0 H CYS A 24 7.553 3.161 1.733 1.00 0.00 H new ATOM 0 HA CYS A 24 10.385 3.269 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.982 1.390 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 24 10.320 2.659 3.307 1.00 0.00 H new ATOM 344 N GLU A 25 7.994 1.984 -0.410 1.00 0.00 N ATOM 345 CA GLU A 25 7.441 1.061 -1.453 1.00 0.00 C ATOM 346 C GLU A 25 7.558 -0.405 -1.024 1.00 0.00 C ATOM 347 O GLU A 25 8.545 -1.062 -1.285 1.00 0.00 O ATOM 348 CB GLU A 25 8.286 1.324 -2.701 1.00 0.00 C ATOM 349 CG GLU A 25 7.807 0.421 -3.837 1.00 0.00 C ATOM 350 CD GLU A 25 8.638 0.688 -5.094 1.00 0.00 C ATOM 351 OE1 GLU A 25 9.623 1.402 -4.990 1.00 0.00 O ATOM 352 OE2 GLU A 25 8.280 0.167 -6.138 1.00 0.00 O ATOM 0 H GLU A 25 7.444 2.828 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 25 6.380 1.241 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.205 2.371 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.338 1.133 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.897 -0.625 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.752 0.605 -4.041 1.00 0.00 H new ATOM 359 N THR A 26 6.548 -0.920 -0.385 1.00 0.00 N ATOM 360 CA THR A 26 6.579 -2.343 0.048 1.00 0.00 C ATOM 361 C THR A 26 6.402 -3.248 -1.171 1.00 0.00 C ATOM 362 O THR A 26 5.511 -3.030 -1.970 1.00 0.00 O ATOM 363 CB THR A 26 5.392 -2.480 1.002 1.00 0.00 C ATOM 364 OG1 THR A 26 5.753 -1.977 2.281 1.00 0.00 O ATOM 365 CG2 THR A 26 4.996 -3.952 1.122 1.00 0.00 C ATOM 0 H THR A 26 5.697 -0.413 -0.142 1.00 0.00 H new ATOM 0 HA THR A 26 7.517 -2.625 0.526 1.00 0.00 H new ATOM 0 HB THR A 26 4.547 -1.911 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.266 -2.468 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.150 -4.047 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.717 -4.335 0.140 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.839 -4.525 1.509 1.00 0.00 H new ATOM 373 N PRO A 27 7.250 -4.239 -1.286 1.00 0.00 N ATOM 374 CA PRO A 27 7.168 -5.178 -2.433 1.00 0.00 C ATOM 375 C PRO A 27 6.039 -6.195 -2.225 1.00 0.00 C ATOM 376 O PRO A 27 6.216 -7.377 -2.438 1.00 0.00 O ATOM 377 CB PRO A 27 8.524 -5.873 -2.411 1.00 0.00 C ATOM 378 CG PRO A 27 8.960 -5.816 -0.981 1.00 0.00 C ATOM 379 CD PRO A 27 8.353 -4.575 -0.378 1.00 0.00 C ATOM 0 HA PRO A 27 6.954 -4.679 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.446 -6.903 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.238 -5.369 -3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.631 -6.705 -0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.047 -5.785 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.994 -4.758 0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.080 -3.765 -0.317 1.00 0.00 H new ATOM 387 N LYS A 28 4.878 -5.748 -1.817 1.00 0.00 N ATOM 388 CA LYS A 28 3.750 -6.701 -1.605 1.00 0.00 C ATOM 389 C LYS A 28 2.487 -6.171 -2.288 1.00 0.00 C ATOM 390 O LYS A 28 1.746 -5.402 -1.707 1.00 0.00 O ATOM 391 CB LYS A 28 3.557 -6.752 -0.086 1.00 0.00 C ATOM 392 CG LYS A 28 3.246 -8.189 0.348 1.00 0.00 C ATOM 393 CD LYS A 28 4.552 -8.969 0.529 1.00 0.00 C ATOM 394 CE LYS A 28 4.354 -10.416 0.067 1.00 0.00 C ATOM 395 NZ LYS A 28 5.689 -10.851 -0.429 1.00 0.00 N ATOM 0 H LYS A 28 4.665 -4.770 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 28 3.952 -7.687 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.457 -6.397 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.744 -6.089 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.683 -8.183 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.620 -8.677 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.351 -8.499 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.857 -8.949 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.013 -11.048 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.602 -10.479 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.632 -11.834 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.985 -10.236 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.384 -10.787 0.342 1.00 0.00 H new ATOM 409 N PRO A 29 2.283 -6.594 -3.507 1.00 0.00 N ATOM 410 CA PRO A 29 1.095 -6.147 -4.273 1.00 0.00 C ATOM 411 C PRO A 29 -0.178 -6.655 -3.594 1.00 0.00 C ATOM 412 O PRO A 29 -0.201 -7.732 -3.034 1.00 0.00 O ATOM 413 CB PRO A 29 1.274 -6.784 -5.653 1.00 0.00 C ATOM 414 CG PRO A 29 2.697 -7.249 -5.699 1.00 0.00 C ATOM 415 CD PRO A 29 3.115 -7.519 -4.280 1.00 0.00 C ATOM 0 HA PRO A 29 1.006 -5.062 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.585 -7.617 -5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.071 -6.065 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.790 -8.149 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.336 -6.491 -6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.935 -8.556 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.177 -7.328 -4.129 1.00 0.00 H new ATOM 423 N GLY A 30 -1.232 -5.891 -3.631 1.00 0.00 N ATOM 424 CA GLY A 30 -2.491 -6.339 -2.974 1.00 0.00 C ATOM 425 C GLY A 30 -3.224 -7.334 -3.875 1.00 0.00 C ATOM 426 O GLY A 30 -2.928 -7.468 -5.046 1.00 0.00 O ATOM 0 H GLY A 30 -1.277 -4.979 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.265 -6.803 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.131 -5.480 -2.770 1.00 0.00 H new ATOM 430 N THR A 31 -4.187 -8.028 -3.336 1.00 0.00 N ATOM 431 CA THR A 31 -4.957 -9.011 -4.152 1.00 0.00 C ATOM 432 C THR A 31 -6.453 -8.843 -3.881 1.00 0.00 C ATOM 433 O THR A 31 -6.852 -8.239 -2.905 1.00 0.00 O ATOM 434 CB THR A 31 -4.480 -10.391 -3.690 1.00 0.00 C ATOM 435 OG1 THR A 31 -4.766 -10.550 -2.306 1.00 0.00 O ATOM 436 CG2 THR A 31 -2.975 -10.537 -3.929 1.00 0.00 C ATOM 0 H THR A 31 -4.476 -7.957 -2.360 1.00 0.00 H new ATOM 0 HA THR A 31 -4.800 -8.873 -5.222 1.00 0.00 H new ATOM 0 HB THR A 31 -5.001 -11.160 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.463 -11.433 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.648 -11.522 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.763 -10.424 -4.992 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.441 -9.769 -3.369 1.00 0.00 H new ATOM 444 N GLY A 32 -7.286 -9.371 -4.732 1.00 0.00 N ATOM 445 CA GLY A 32 -8.752 -9.239 -4.507 1.00 0.00 C ATOM 446 C GLY A 32 -9.167 -10.159 -3.356 1.00 0.00 C ATOM 447 O GLY A 32 -8.430 -11.041 -2.962 1.00 0.00 O ATOM 0 H GLY A 32 -7.017 -9.886 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.005 -8.205 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.297 -9.502 -5.414 1.00 0.00 H new ATOM 451 N VAL A 33 -10.338 -9.966 -2.814 1.00 0.00 N ATOM 452 CA VAL A 33 -10.783 -10.842 -1.691 1.00 0.00 C ATOM 453 C VAL A 33 -10.877 -12.290 -2.174 1.00 0.00 C ATOM 454 O VAL A 33 -10.421 -13.208 -1.521 1.00 0.00 O ATOM 455 CB VAL A 33 -12.167 -10.328 -1.301 1.00 0.00 C ATOM 456 CG1 VAL A 33 -12.721 -11.180 -0.157 1.00 0.00 C ATOM 457 CG2 VAL A 33 -12.071 -8.866 -0.855 1.00 0.00 C ATOM 0 H VAL A 33 -11.002 -9.246 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.090 -10.818 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.833 -10.395 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.709 -10.815 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.796 -12.218 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.053 -11.115 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.061 -8.504 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.404 -8.791 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.680 -8.261 -1.673 1.00 0.00 H new ATOM 467 N LYS A 34 -11.474 -12.496 -3.316 1.00 0.00 N ATOM 468 CA LYS A 34 -11.613 -13.878 -3.859 1.00 0.00 C ATOM 469 C LYS A 34 -10.273 -14.375 -4.417 1.00 0.00 C ATOM 470 O LYS A 34 -9.590 -13.669 -5.131 1.00 0.00 O ATOM 471 CB LYS A 34 -12.646 -13.748 -4.978 1.00 0.00 C ATOM 472 CG LYS A 34 -12.959 -15.130 -5.549 1.00 0.00 C ATOM 473 CD LYS A 34 -14.007 -14.998 -6.653 1.00 0.00 C ATOM 474 CE LYS A 34 -14.329 -16.384 -7.213 1.00 0.00 C ATOM 475 NZ LYS A 34 -15.336 -16.139 -8.279 1.00 0.00 N ATOM 0 H LYS A 34 -11.874 -11.762 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.916 -14.595 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.556 -13.287 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.265 -13.096 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.052 -15.585 -5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.326 -15.787 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.911 -14.534 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.636 -14.350 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.437 -16.865 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.725 -17.041 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.609 -17.044 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.176 -15.686 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.928 -15.516 -9.005 1.00 0.00 H new ATOM 489 N ARG A 35 -9.896 -15.587 -4.100 1.00 0.00 N ATOM 490 CA ARG A 35 -8.603 -16.127 -4.617 1.00 0.00 C ATOM 491 C ARG A 35 -7.470 -15.128 -4.372 1.00 0.00 C ATOM 492 O ARG A 35 -7.156 -14.385 -5.287 1.00 0.00 O ATOM 493 CB ARG A 35 -8.826 -16.334 -6.117 1.00 0.00 C ATOM 494 CG ARG A 35 -7.544 -16.874 -6.758 1.00 0.00 C ATOM 495 CD ARG A 35 -7.751 -17.011 -8.269 1.00 0.00 C ATOM 496 NE ARG A 35 -6.525 -17.696 -8.775 1.00 0.00 N ATOM 497 CZ ARG A 35 -6.397 -17.973 -10.049 1.00 0.00 C ATOM 498 NH1 ARG A 35 -7.355 -17.682 -10.895 1.00 0.00 N ATOM 499 NH2 ARG A 35 -5.308 -18.550 -10.480 1.00 0.00 N ATOM 500 OXT ARG A 35 -6.932 -15.126 -3.277 1.00 0.00 O ATOM 0 H ARG A 35 -10.426 -16.225 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.318 -17.053 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.648 -17.032 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.110 -15.392 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.711 -16.202 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.287 -17.841 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.646 -17.592 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.878 -16.036 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.782 -17.950 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.210 -17.236 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.245 -17.902 -11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.561 -18.783 -9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.204 -18.768 -11.471 1.00 0.00 H new TER 514 ARG A 35 HETATM 515 ZN ZN A 54 6.559 0.993 4.325 1.00 0.00 ZN