USER MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 281 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -125:sc= -1.1 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.690 11.985 4.515 1.00 0.00 N ATOM 2 CA GLU A 1 3.729 10.707 5.289 1.00 0.00 C ATOM 3 C GLU A 1 3.149 9.561 4.449 1.00 0.00 C ATOM 4 O GLU A 1 1.960 9.511 4.189 1.00 0.00 O ATOM 5 CB GLU A 1 2.864 10.962 6.528 1.00 0.00 C ATOM 6 CG GLU A 1 3.500 10.289 7.749 1.00 0.00 C ATOM 7 CD GLU A 1 4.360 11.306 8.506 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.797 12.091 9.252 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.567 11.281 8.325 1.00 0.00 O ATOM 0 H1 GLU A 1 4.085 12.754 5.094 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.252 11.882 3.646 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.706 12.210 4.266 1.00 0.00 H new ATOM 0 HA GLU A 1 4.745 10.419 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.766 12.034 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.859 10.572 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.724 9.894 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.111 9.444 7.434 1.00 0.00 H new ATOM 18 N CYS A 2 3.980 8.641 4.024 1.00 0.00 N ATOM 19 CA CYS A 2 3.478 7.497 3.202 1.00 0.00 C ATOM 20 C CYS A 2 3.058 6.331 4.106 1.00 0.00 C ATOM 21 O CYS A 2 3.394 6.285 5.276 1.00 0.00 O ATOM 22 CB CYS A 2 4.650 7.095 2.299 1.00 0.00 C ATOM 23 SG CYS A 2 6.029 6.482 3.302 1.00 0.00 S ATOM 0 H CYS A 2 4.983 8.633 4.211 1.00 0.00 H new ATOM 0 HA CYS A 2 2.600 7.771 2.617 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.330 6.325 1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.973 7.951 1.707 1.00 0.00 H new ATOM 28 N LEU A 3 2.321 5.391 3.569 1.00 0.00 N ATOM 29 CA LEU A 3 1.867 4.224 4.385 1.00 0.00 C ATOM 30 C LEU A 3 2.867 3.072 4.259 1.00 0.00 C ATOM 31 O LEU A 3 3.155 2.605 3.173 1.00 0.00 O ATOM 32 CB LEU A 3 0.510 3.820 3.795 1.00 0.00 C ATOM 33 CG LEU A 3 -0.518 4.933 4.028 1.00 0.00 C ATOM 34 CD1 LEU A 3 -1.835 4.563 3.340 1.00 0.00 C ATOM 35 CD2 LEU A 3 -0.759 5.101 5.531 1.00 0.00 C ATOM 0 H LEU A 3 2.013 5.382 2.597 1.00 0.00 H new ATOM 0 HA LEU A 3 1.791 4.470 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.612 3.626 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.166 2.894 4.255 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.140 5.868 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.567 5.354 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.665 4.443 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.212 3.628 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.490 5.893 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.136 4.166 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.178 5.364 6.023 1.00 0.00 H new ATOM 47 N GLU A 4 3.397 2.610 5.365 1.00 0.00 N ATOM 48 CA GLU A 4 4.382 1.484 5.318 1.00 0.00 C ATOM 49 C GLU A 4 3.680 0.174 4.937 1.00 0.00 C ATOM 50 O GLU A 4 2.502 0.157 4.634 1.00 0.00 O ATOM 51 CB GLU A 4 4.959 1.395 6.735 1.00 0.00 C ATOM 52 CG GLU A 4 6.394 1.925 6.735 1.00 0.00 C ATOM 53 CD GLU A 4 7.176 1.291 7.887 1.00 0.00 C ATOM 54 OE1 GLU A 4 7.127 1.832 8.980 1.00 0.00 O ATOM 55 OE2 GLU A 4 7.814 0.276 7.656 1.00 0.00 O ATOM 0 H GLU A 4 3.190 2.964 6.299 1.00 0.00 H new ATOM 0 HA GLU A 4 5.160 1.652 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.346 1.974 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.941 0.362 7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.877 1.696 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.391 3.010 6.838 1.00 0.00 H new ATOM 62 N ILE A 5 4.397 -0.921 4.946 1.00 0.00 N ATOM 63 CA ILE A 5 3.775 -2.233 4.582 1.00 0.00 C ATOM 64 C ILE A 5 2.707 -2.626 5.613 1.00 0.00 C ATOM 65 O ILE A 5 2.790 -2.269 6.774 1.00 0.00 O ATOM 66 CB ILE A 5 4.931 -3.248 4.575 1.00 0.00 C ATOM 67 CG1 ILE A 5 4.413 -4.611 4.097 1.00 0.00 C ATOM 68 CG2 ILE A 5 5.517 -3.393 5.987 1.00 0.00 C ATOM 69 CD1 ILE A 5 4.291 -4.612 2.572 1.00 0.00 C ATOM 0 H ILE A 5 5.387 -0.965 5.190 1.00 0.00 H new ATOM 0 HA ILE A 5 3.274 -2.191 3.615 1.00 0.00 H new ATOM 0 HB ILE A 5 5.710 -2.892 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.092 -5.401 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.444 -4.821 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.334 -4.114 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.892 -2.427 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.741 -3.741 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.923 -5.582 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.595 -3.833 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.269 -4.422 2.129 1.00 0.00 H new ATOM 81 N PHE A 6 1.705 -3.360 5.184 1.00 0.00 N ATOM 82 CA PHE A 6 0.611 -3.799 6.115 1.00 0.00 C ATOM 83 C PHE A 6 -0.099 -2.586 6.738 1.00 0.00 C ATOM 84 O PHE A 6 -0.539 -2.631 7.873 1.00 0.00 O ATOM 85 CB PHE A 6 1.298 -4.646 7.200 1.00 0.00 C ATOM 86 CG PHE A 6 2.100 -5.760 6.560 1.00 0.00 C ATOM 87 CD1 PHE A 6 1.527 -6.552 5.557 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.419 -5.995 6.968 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.270 -7.579 4.965 1.00 0.00 C ATOM 90 CE2 PHE A 6 4.162 -7.023 6.376 1.00 0.00 C ATOM 91 CZ PHE A 6 3.589 -7.814 5.373 1.00 0.00 C ATOM 0 H PHE A 6 1.597 -3.677 4.220 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.155 -4.369 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.952 -4.017 7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.550 -5.066 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.511 -6.370 5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.863 -5.383 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.826 -8.191 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.178 -7.206 6.693 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.164 -8.605 4.914 1.00 0.00 H new ATOM 101 N LYS A 7 -0.226 -1.510 6.000 1.00 0.00 N ATOM 102 CA LYS A 7 -0.919 -0.303 6.542 1.00 0.00 C ATOM 103 C LYS A 7 -2.231 -0.085 5.785 1.00 0.00 C ATOM 104 O LYS A 7 -2.246 0.002 4.571 1.00 0.00 O ATOM 105 CB LYS A 7 0.046 0.861 6.306 1.00 0.00 C ATOM 106 CG LYS A 7 1.161 0.825 7.356 1.00 0.00 C ATOM 107 CD LYS A 7 0.685 1.514 8.638 1.00 0.00 C ATOM 108 CE LYS A 7 1.427 0.927 9.843 1.00 0.00 C ATOM 109 NZ LYS A 7 0.406 0.127 10.580 1.00 0.00 N ATOM 0 H LYS A 7 0.121 -1.417 5.045 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.167 -0.402 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.473 0.796 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.490 1.808 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.440 -0.207 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.051 1.324 6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.865 2.587 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.390 1.378 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.262 0.303 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.840 1.715 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.843 -0.305 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.374 0.748 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.036 -0.620 9.959 1.00 0.00 H new ATOM 123 N ALA A 8 -3.332 -0.012 6.497 1.00 0.00 N ATOM 124 CA ALA A 8 -4.663 0.184 5.836 1.00 0.00 C ATOM 125 C ALA A 8 -4.602 1.310 4.794 1.00 0.00 C ATOM 126 O ALA A 8 -4.202 2.421 5.089 1.00 0.00 O ATOM 127 CB ALA A 8 -5.622 0.559 6.969 1.00 0.00 C ATOM 0 H ALA A 8 -3.365 -0.080 7.514 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.982 -0.713 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.621 0.719 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.653 -0.248 7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.276 1.473 7.451 1.00 0.00 H new ATOM 133 N CYS A 9 -4.999 1.021 3.578 1.00 0.00 N ATOM 134 CA CYS A 9 -4.974 2.061 2.504 1.00 0.00 C ATOM 135 C CYS A 9 -6.268 2.000 1.680 1.00 0.00 C ATOM 136 O CYS A 9 -7.135 1.182 1.929 1.00 0.00 O ATOM 137 CB CYS A 9 -3.759 1.711 1.637 1.00 0.00 C ATOM 138 SG CYS A 9 -4.037 0.129 0.801 1.00 0.00 S ATOM 0 H CYS A 9 -5.340 0.106 3.283 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.904 3.071 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.588 2.496 0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.864 1.653 2.256 1.00 0.00 H new ATOM 143 N ASN A 10 -6.403 2.863 0.704 1.00 0.00 N ATOM 144 CA ASN A 10 -7.639 2.860 -0.136 1.00 0.00 C ATOM 145 C ASN A 10 -7.281 2.725 -1.621 1.00 0.00 C ATOM 146 O ASN A 10 -6.200 3.104 -2.035 1.00 0.00 O ATOM 147 CB ASN A 10 -8.304 4.213 0.132 1.00 0.00 C ATOM 148 CG ASN A 10 -9.128 4.135 1.421 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.078 3.381 1.504 1.00 0.00 O ATOM 150 ND2 ASN A 10 -8.802 4.886 2.437 1.00 0.00 N ATOM 0 H ASN A 10 -5.711 3.569 0.453 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.295 2.024 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.546 4.991 0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.946 4.486 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -9.344 4.840 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.005 5.519 2.368 1.00 0.00 H new ATOM 157 N PRO A 11 -8.214 2.194 -2.380 1.00 0.00 N ATOM 158 CA PRO A 11 -8.002 2.010 -3.841 1.00 0.00 C ATOM 159 C PRO A 11 -8.014 3.367 -4.559 1.00 0.00 C ATOM 160 O PRO A 11 -7.271 3.583 -5.498 1.00 0.00 O ATOM 161 CB PRO A 11 -9.189 1.148 -4.272 1.00 0.00 C ATOM 162 CG PRO A 11 -10.249 1.410 -3.250 1.00 0.00 C ATOM 163 CD PRO A 11 -9.542 1.724 -1.957 1.00 0.00 C ATOM 0 HA PRO A 11 -7.043 1.551 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.530 1.417 -5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.920 0.092 -4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.883 2.242 -3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.897 0.541 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.072 2.487 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.469 0.844 -1.319 1.00 0.00 H new ATOM 171 N SER A 12 -8.844 4.282 -4.117 1.00 0.00 N ATOM 172 CA SER A 12 -8.899 5.630 -4.763 1.00 0.00 C ATOM 173 C SER A 12 -7.718 6.496 -4.299 1.00 0.00 C ATOM 174 O SER A 12 -7.343 7.444 -4.964 1.00 0.00 O ATOM 175 CB SER A 12 -10.221 6.243 -4.299 1.00 0.00 C ATOM 176 OG SER A 12 -11.281 5.738 -5.100 1.00 0.00 O ATOM 0 H SER A 12 -9.486 4.152 -3.335 1.00 0.00 H new ATOM 0 HA SER A 12 -8.837 5.564 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.397 6.004 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.178 7.329 -4.376 1.00 0.00 H new ATOM 0 HG SER A 12 -12.130 6.128 -4.803 1.00 0.00 H new ATOM 182 N ASN A 13 -7.133 6.184 -3.164 1.00 0.00 N ATOM 183 CA ASN A 13 -5.984 6.997 -2.665 1.00 0.00 C ATOM 184 C ASN A 13 -4.794 6.096 -2.312 1.00 0.00 C ATOM 185 O ASN A 13 -4.571 5.765 -1.160 1.00 0.00 O ATOM 186 CB ASN A 13 -6.517 7.711 -1.418 1.00 0.00 C ATOM 187 CG ASN A 13 -6.483 9.224 -1.642 1.00 0.00 C ATOM 188 OD1 ASN A 13 -7.491 9.825 -1.960 1.00 0.00 O ATOM 189 ND2 ASN A 13 -5.358 9.870 -1.492 1.00 0.00 N ATOM 0 H ASN A 13 -7.403 5.403 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.623 7.701 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.536 7.387 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.913 7.448 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.325 10.878 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.512 9.366 -1.225 1.00 0.00 H new ATOM 196 N ASP A 14 -4.017 5.712 -3.293 1.00 0.00 N ATOM 197 CA ASP A 14 -2.827 4.853 -3.013 1.00 0.00 C ATOM 198 C ASP A 14 -1.709 5.730 -2.435 1.00 0.00 C ATOM 199 O ASP A 14 -1.053 6.466 -3.150 1.00 0.00 O ATOM 200 CB ASP A 14 -2.428 4.256 -4.372 1.00 0.00 C ATOM 201 CG ASP A 14 -0.971 3.776 -4.334 1.00 0.00 C ATOM 202 OD1 ASP A 14 -0.707 2.790 -3.663 1.00 0.00 O ATOM 203 OD2 ASP A 14 -0.144 4.403 -4.979 1.00 0.00 O ATOM 0 H ASP A 14 -4.155 5.956 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.027 4.063 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.086 3.423 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.552 5.003 -5.156 1.00 0.00 H new ATOM 208 N GLN A 15 -1.502 5.672 -1.144 1.00 0.00 N ATOM 209 CA GLN A 15 -0.441 6.516 -0.516 1.00 0.00 C ATOM 210 C GLN A 15 0.620 5.639 0.161 1.00 0.00 C ATOM 211 O GLN A 15 1.160 5.995 1.191 1.00 0.00 O ATOM 212 CB GLN A 15 -1.180 7.373 0.517 1.00 0.00 C ATOM 213 CG GLN A 15 -2.108 8.360 -0.200 1.00 0.00 C ATOM 214 CD GLN A 15 -1.943 9.754 0.408 1.00 0.00 C ATOM 215 OE1 GLN A 15 -2.649 10.114 1.329 1.00 0.00 O ATOM 216 NE2 GLN A 15 -1.035 10.561 -0.072 1.00 0.00 N ATOM 0 H GLN A 15 -2.021 5.077 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 15 0.087 7.125 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.758 6.736 1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.463 7.915 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.875 8.387 -1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.144 8.033 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.442 10.259 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.919 11.493 0.326 1.00 0.00 H new ATOM 225 N CYS A 16 0.935 4.504 -0.416 1.00 0.00 N ATOM 226 CA CYS A 16 1.972 3.615 0.194 1.00 0.00 C ATOM 227 C CYS A 16 3.365 4.225 -0.011 1.00 0.00 C ATOM 228 O CYS A 16 3.564 5.056 -0.879 1.00 0.00 O ATOM 229 CB CYS A 16 1.852 2.279 -0.547 1.00 0.00 C ATOM 230 SG CYS A 16 0.215 1.559 -0.251 1.00 0.00 S ATOM 0 H CYS A 16 0.520 4.156 -1.280 1.00 0.00 H new ATOM 0 HA CYS A 16 1.829 3.489 1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.005 2.430 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.628 1.593 -0.207 1.00 0.00 H new ATOM 235 N CYS A 17 4.326 3.825 0.783 1.00 0.00 N ATOM 236 CA CYS A 17 5.705 4.389 0.639 1.00 0.00 C ATOM 237 C CYS A 17 6.343 3.912 -0.672 1.00 0.00 C ATOM 238 O CYS A 17 6.460 2.726 -0.921 1.00 0.00 O ATOM 239 CB CYS A 17 6.491 3.863 1.843 1.00 0.00 C ATOM 240 SG CYS A 17 5.748 4.483 3.375 1.00 0.00 S ATOM 0 H CYS A 17 4.217 3.133 1.524 1.00 0.00 H new ATOM 0 HA CYS A 17 5.697 5.479 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.490 2.773 1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.532 4.181 1.777 1.00 0.00 H new ATOM 245 N LYS A 18 6.754 4.833 -1.507 1.00 0.00 N ATOM 246 CA LYS A 18 7.387 4.451 -2.810 1.00 0.00 C ATOM 247 C LYS A 18 8.849 4.023 -2.605 1.00 0.00 C ATOM 248 O LYS A 18 9.441 3.402 -3.468 1.00 0.00 O ATOM 249 CB LYS A 18 7.318 5.713 -3.673 1.00 0.00 C ATOM 250 CG LYS A 18 5.860 6.002 -4.042 1.00 0.00 C ATOM 251 CD LYS A 18 5.791 6.542 -5.472 1.00 0.00 C ATOM 252 CE LYS A 18 4.378 7.064 -5.754 1.00 0.00 C ATOM 253 NZ LYS A 18 3.576 5.856 -6.107 1.00 0.00 N ATOM 0 H LYS A 18 6.679 5.837 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 18 6.877 3.606 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.742 6.559 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.913 5.581 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.265 5.092 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.435 6.727 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.519 7.342 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.048 5.756 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.964 7.570 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.381 7.787 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.596 6.138 -6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.988 5.398 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.584 5.189 -5.309 1.00 0.00 H new ATOM 267 N SER A 19 9.434 4.345 -1.473 1.00 0.00 N ATOM 268 CA SER A 19 10.856 3.951 -1.216 1.00 0.00 C ATOM 269 C SER A 19 10.999 2.423 -1.256 1.00 0.00 C ATOM 270 O SER A 19 11.935 1.897 -1.828 1.00 0.00 O ATOM 271 CB SER A 19 11.176 4.483 0.181 1.00 0.00 C ATOM 272 OG SER A 19 11.207 5.905 0.148 1.00 0.00 O ATOM 0 H SER A 19 8.987 4.864 -0.717 1.00 0.00 H new ATOM 0 HA SER A 19 11.535 4.354 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.425 4.141 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.137 4.095 0.519 1.00 0.00 H new ATOM 0 HG SER A 19 11.410 6.249 1.043 1.00 0.00 H new ATOM 278 N SER A 20 10.070 1.711 -0.662 1.00 0.00 N ATOM 279 CA SER A 20 10.140 0.217 -0.672 1.00 0.00 C ATOM 280 C SER A 20 9.184 -0.362 -1.731 1.00 0.00 C ATOM 281 O SER A 20 8.810 -1.519 -1.667 1.00 0.00 O ATOM 282 CB SER A 20 9.710 -0.209 0.735 1.00 0.00 C ATOM 283 OG SER A 20 10.479 -1.335 1.139 1.00 0.00 O ATOM 0 H SER A 20 9.266 2.102 -0.171 1.00 0.00 H new ATOM 0 HA SER A 20 11.137 -0.145 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.852 0.614 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.648 -0.456 0.744 1.00 0.00 H new ATOM 0 HG SER A 20 10.208 -1.610 2.040 1.00 0.00 H new ATOM 289 N LYS A 21 8.794 0.436 -2.706 1.00 0.00 N ATOM 290 CA LYS A 21 7.867 -0.048 -3.780 1.00 0.00 C ATOM 291 C LYS A 21 6.620 -0.706 -3.167 1.00 0.00 C ATOM 292 O LYS A 21 6.374 -1.884 -3.343 1.00 0.00 O ATOM 293 CB LYS A 21 8.686 -1.059 -4.597 1.00 0.00 C ATOM 294 CG LYS A 21 8.755 -0.607 -6.060 1.00 0.00 C ATOM 295 CD LYS A 21 9.410 0.777 -6.145 1.00 0.00 C ATOM 296 CE LYS A 21 10.534 0.752 -7.186 1.00 0.00 C ATOM 297 NZ LYS A 21 10.763 2.181 -7.548 1.00 0.00 N ATOM 0 H LYS A 21 9.083 1.410 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 21 7.503 0.768 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.692 -1.144 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.230 -2.047 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.327 -1.327 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.753 -0.572 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.666 1.526 -6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.809 1.062 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.438 0.299 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.249 0.165 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.521 2.242 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.888 2.584 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.040 2.714 -6.699 1.00 0.00 H new ATOM 311 N LEU A 22 5.832 0.055 -2.449 1.00 0.00 N ATOM 312 CA LEU A 22 4.599 -0.515 -1.825 1.00 0.00 C ATOM 313 C LEU A 22 3.363 -0.106 -2.633 1.00 0.00 C ATOM 314 O LEU A 22 3.259 1.013 -3.101 1.00 0.00 O ATOM 315 CB LEU A 22 4.542 0.085 -0.416 1.00 0.00 C ATOM 316 CG LEU A 22 5.519 -0.652 0.505 1.00 0.00 C ATOM 317 CD1 LEU A 22 5.653 0.114 1.824 1.00 0.00 C ATOM 318 CD2 LEU A 22 4.992 -2.062 0.788 1.00 0.00 C ATOM 0 H LEU A 22 5.990 1.046 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 22 4.619 -1.604 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.793 1.145 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.529 0.010 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 22 6.493 -0.718 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.348 -0.410 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.028 1.118 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.678 0.180 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.688 -2.586 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.018 -1.996 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.895 -2.609 -0.150 1.00 0.00 H new ATOM 330 N VAL A 23 2.427 -1.007 -2.797 1.00 0.00 N ATOM 331 CA VAL A 23 1.188 -0.683 -3.571 1.00 0.00 C ATOM 332 C VAL A 23 -0.056 -1.034 -2.746 1.00 0.00 C ATOM 333 O VAL A 23 -0.108 -2.059 -2.091 1.00 0.00 O ATOM 334 CB VAL A 23 1.254 -1.535 -4.850 1.00 0.00 C ATOM 335 CG1 VAL A 23 2.364 -1.005 -5.762 1.00 0.00 C ATOM 336 CG2 VAL A 23 1.543 -3.002 -4.500 1.00 0.00 C ATOM 0 H VAL A 23 2.467 -1.957 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 23 1.125 0.379 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 23 0.294 -1.474 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.410 -1.609 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.153 0.031 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.320 -1.059 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.587 -3.593 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.497 -3.070 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.750 -3.386 -3.858 1.00 0.00 H new ATOM 346 N CYS A 24 -1.054 -0.188 -2.770 1.00 0.00 N ATOM 347 CA CYS A 24 -2.296 -0.464 -1.984 1.00 0.00 C ATOM 348 C CYS A 24 -3.126 -1.558 -2.664 1.00 0.00 C ATOM 349 O CYS A 24 -3.709 -1.347 -3.712 1.00 0.00 O ATOM 350 CB CYS A 24 -3.061 0.863 -1.964 1.00 0.00 C ATOM 351 SG CYS A 24 -4.615 0.651 -1.061 1.00 0.00 S ATOM 0 H CYS A 24 -1.063 0.683 -3.300 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.074 -0.819 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.456 1.637 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.262 1.194 -2.983 1.00 0.00 H new ATOM 356 N SER A 25 -3.184 -2.725 -2.071 1.00 0.00 N ATOM 357 CA SER A 25 -3.977 -3.839 -2.674 1.00 0.00 C ATOM 358 C SER A 25 -5.383 -3.875 -2.065 1.00 0.00 C ATOM 359 O SER A 25 -5.553 -3.727 -0.869 1.00 0.00 O ATOM 360 CB SER A 25 -3.209 -5.115 -2.324 1.00 0.00 C ATOM 361 OG SER A 25 -2.968 -5.858 -3.512 1.00 0.00 O ATOM 0 H SER A 25 -2.716 -2.954 -1.194 1.00 0.00 H new ATOM 0 HA SER A 25 -4.098 -3.722 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.265 -4.864 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.781 -5.715 -1.616 1.00 0.00 H new ATOM 0 HG SER A 25 -2.475 -6.676 -3.292 1.00 0.00 H new ATOM 367 N ARG A 26 -6.389 -4.076 -2.880 1.00 0.00 N ATOM 368 CA ARG A 26 -7.791 -4.128 -2.356 1.00 0.00 C ATOM 369 C ARG A 26 -8.035 -5.448 -1.610 1.00 0.00 C ATOM 370 O ARG A 26 -8.758 -5.489 -0.632 1.00 0.00 O ATOM 371 CB ARG A 26 -8.687 -4.038 -3.596 1.00 0.00 C ATOM 372 CG ARG A 26 -10.065 -3.503 -3.198 1.00 0.00 C ATOM 373 CD ARG A 26 -11.024 -3.623 -4.388 1.00 0.00 C ATOM 374 NE ARG A 26 -12.350 -3.181 -3.869 1.00 0.00 N ATOM 375 CZ ARG A 26 -13.313 -2.884 -4.702 1.00 0.00 C ATOM 376 NH1 ARG A 26 -13.361 -1.697 -5.251 1.00 0.00 N ATOM 377 NH2 ARG A 26 -14.227 -3.774 -4.987 1.00 0.00 N ATOM 0 H ARG A 26 -6.300 -4.207 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.993 -3.323 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.232 -3.382 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.787 -5.021 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.453 -4.063 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.986 -2.462 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.699 -2.998 -5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.067 -4.648 -4.757 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.506 -3.110 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.647 -1.003 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.112 -1.466 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.189 -4.699 -4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.979 -3.543 -5.637 1.00 0.00 H new ATOM 391 N LYS A 27 -7.434 -6.525 -2.065 1.00 0.00 N ATOM 392 CA LYS A 27 -7.623 -7.847 -1.387 1.00 0.00 C ATOM 393 C LYS A 27 -7.135 -7.779 0.067 1.00 0.00 C ATOM 394 O LYS A 27 -7.861 -8.107 0.986 1.00 0.00 O ATOM 395 CB LYS A 27 -6.771 -8.834 -2.195 1.00 0.00 C ATOM 396 CG LYS A 27 -7.251 -10.264 -1.936 1.00 0.00 C ATOM 397 CD LYS A 27 -8.287 -10.654 -2.993 1.00 0.00 C ATOM 398 CE LYS A 27 -8.751 -12.094 -2.750 1.00 0.00 C ATOM 399 NZ LYS A 27 -7.889 -12.938 -3.628 1.00 0.00 N ATOM 0 H LYS A 27 -6.820 -6.543 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.671 -8.144 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.841 -8.604 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.722 -8.736 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.407 -10.953 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.687 -10.338 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.138 -9.975 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.856 -10.563 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.638 -12.372 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.805 -12.215 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.151 -13.938 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.023 -12.656 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.892 -12.809 -3.363 1.00 0.00 H new ATOM 413 N THR A 28 -5.914 -7.351 0.280 1.00 0.00 N ATOM 414 CA THR A 28 -5.377 -7.255 1.676 1.00 0.00 C ATOM 415 C THR A 28 -5.842 -5.955 2.355 1.00 0.00 C ATOM 416 O THR A 28 -5.746 -5.816 3.559 1.00 0.00 O ATOM 417 CB THR A 28 -3.852 -7.277 1.527 1.00 0.00 C ATOM 418 OG1 THR A 28 -3.460 -6.455 0.435 1.00 0.00 O ATOM 419 CG2 THR A 28 -3.386 -8.715 1.286 1.00 0.00 C ATOM 0 H THR A 28 -5.265 -7.064 -0.452 1.00 0.00 H new ATOM 0 HA THR A 28 -5.734 -8.073 2.302 1.00 0.00 H new ATOM 0 HB THR A 28 -3.395 -6.895 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.915 -6.978 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.301 -8.733 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.678 -9.339 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.846 -9.099 0.376 1.00 0.00 H new ATOM 427 N ARG A 29 -6.353 -5.010 1.591 1.00 0.00 N ATOM 428 CA ARG A 29 -6.847 -3.712 2.170 1.00 0.00 C ATOM 429 C ARG A 29 -5.701 -2.853 2.740 1.00 0.00 C ATOM 430 O ARG A 29 -5.946 -1.871 3.416 1.00 0.00 O ATOM 431 CB ARG A 29 -7.830 -4.106 3.280 1.00 0.00 C ATOM 432 CG ARG A 29 -8.900 -3.021 3.428 1.00 0.00 C ATOM 433 CD ARG A 29 -9.452 -3.039 4.856 1.00 0.00 C ATOM 434 NE ARG A 29 -10.087 -1.702 5.038 1.00 0.00 N ATOM 435 CZ ARG A 29 -11.387 -1.583 4.988 1.00 0.00 C ATOM 436 NH1 ARG A 29 -12.123 -2.040 5.968 1.00 0.00 N ATOM 437 NH2 ARG A 29 -11.950 -1.009 3.957 1.00 0.00 N ATOM 0 H ARG A 29 -6.450 -5.085 0.578 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.316 -3.100 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.297 -5.062 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.297 -4.236 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.475 -2.043 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.705 -3.190 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.177 -3.842 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.658 -3.202 5.585 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.506 -0.880 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.682 -2.489 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.138 -1.947 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.374 -0.655 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.965 -0.915 3.917 1.00 0.00 H new ATOM 451 N TRP A 30 -4.459 -3.187 2.468 1.00 0.00 N ATOM 452 CA TRP A 30 -3.335 -2.350 2.997 1.00 0.00 C ATOM 453 C TRP A 30 -2.166 -2.310 2.003 1.00 0.00 C ATOM 454 O TRP A 30 -2.199 -2.941 0.961 1.00 0.00 O ATOM 455 CB TRP A 30 -2.913 -2.982 4.337 1.00 0.00 C ATOM 456 CG TRP A 30 -2.514 -4.420 4.172 1.00 0.00 C ATOM 457 CD1 TRP A 30 -1.586 -4.887 3.304 1.00 0.00 C ATOM 458 CD2 TRP A 30 -3.007 -5.580 4.903 1.00 0.00 C ATOM 459 NE1 TRP A 30 -1.485 -6.259 3.452 1.00 0.00 N ATOM 460 CE2 TRP A 30 -2.340 -6.733 4.426 1.00 0.00 C ATOM 461 CE3 TRP A 30 -3.961 -5.741 5.922 1.00 0.00 C ATOM 462 CZ2 TRP A 30 -2.611 -8.001 4.942 1.00 0.00 C ATOM 463 CZ3 TRP A 30 -4.236 -7.014 6.444 1.00 0.00 C ATOM 464 CH2 TRP A 30 -3.562 -8.142 5.955 1.00 0.00 C ATOM 0 H TRP A 30 -4.179 -3.993 1.909 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.648 -1.316 3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.080 -2.419 4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.737 -2.912 5.048 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.017 -4.287 2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.855 -6.848 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.486 -4.879 6.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.089 -8.867 4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.971 -7.126 7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.778 -9.119 6.361 1.00 0.00 H new ATOM 475 N CYS A 31 -1.139 -1.556 2.317 1.00 0.00 N ATOM 476 CA CYS A 31 0.036 -1.449 1.396 1.00 0.00 C ATOM 477 C CYS A 31 0.801 -2.776 1.332 1.00 0.00 C ATOM 478 O CYS A 31 1.154 -3.352 2.343 1.00 0.00 O ATOM 479 CB CYS A 31 0.920 -0.352 1.994 1.00 0.00 C ATOM 480 SG CYS A 31 0.141 1.264 1.746 1.00 0.00 S ATOM 0 H CYS A 31 -1.065 -1.009 3.174 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.272 -1.216 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.072 -0.534 3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.904 -0.368 1.524 1.00 0.00 H new ATOM 485 N LYS A 32 1.059 -3.257 0.143 1.00 0.00 N ATOM 486 CA LYS A 32 1.803 -4.543 -0.016 1.00 0.00 C ATOM 487 C LYS A 32 3.053 -4.325 -0.877 1.00 0.00 C ATOM 488 O LYS A 32 3.113 -3.412 -1.677 1.00 0.00 O ATOM 489 CB LYS A 32 0.823 -5.486 -0.719 1.00 0.00 C ATOM 490 CG LYS A 32 -0.072 -6.165 0.322 1.00 0.00 C ATOM 491 CD LYS A 32 -0.187 -7.658 0.005 1.00 0.00 C ATOM 492 CE LYS A 32 1.076 -8.380 0.483 1.00 0.00 C ATOM 493 NZ LYS A 32 0.754 -9.833 0.391 1.00 0.00 N ATOM 0 H LYS A 32 0.784 -2.810 -0.732 1.00 0.00 H new ATOM 0 HA LYS A 32 2.140 -4.947 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.213 -4.929 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.370 -6.237 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.344 -6.026 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.060 -5.706 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.066 -8.078 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.319 -7.804 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.934 -8.127 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.329 -8.097 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.574 -10.391 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.062 -10.047 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.525 -10.076 -0.594 1.00 0.00 H new ATOM 507 N TYR A 33 4.052 -5.157 -0.717 1.00 0.00 N ATOM 508 CA TYR A 33 5.302 -4.997 -1.525 1.00 0.00 C ATOM 509 C TYR A 33 5.018 -5.241 -3.015 1.00 0.00 C ATOM 510 O TYR A 33 4.126 -5.989 -3.374 1.00 0.00 O ATOM 511 CB TYR A 33 6.283 -6.046 -0.973 1.00 0.00 C ATOM 512 CG TYR A 33 5.967 -7.417 -1.537 1.00 0.00 C ATOM 513 CD1 TYR A 33 4.944 -8.192 -0.974 1.00 0.00 C ATOM 514 CD2 TYR A 33 6.700 -7.912 -2.624 1.00 0.00 C ATOM 515 CE1 TYR A 33 4.657 -9.458 -1.496 1.00 0.00 C ATOM 516 CE2 TYR A 33 6.411 -9.178 -3.146 1.00 0.00 C ATOM 517 CZ TYR A 33 5.389 -9.951 -2.582 1.00 0.00 C ATOM 518 OH TYR A 33 5.106 -11.201 -3.095 1.00 0.00 O ATOM 0 H TYR A 33 4.057 -5.940 -0.063 1.00 0.00 H new ATOM 0 HA TYR A 33 5.709 -3.989 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.305 -5.767 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.223 -6.071 0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.377 -7.812 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.489 -7.316 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.870 -10.055 -1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.976 -9.559 -3.984 1.00 0.00 H new ATOM 0 HH TYR A 33 5.706 -11.389 -3.847 1.00 0.00 H new ATOM 528 N GLN A 34 5.776 -4.615 -3.880 1.00 0.00 N ATOM 529 CA GLN A 34 5.564 -4.805 -5.348 1.00 0.00 C ATOM 530 C GLN A 34 6.241 -6.099 -5.819 1.00 0.00 C ATOM 531 O GLN A 34 7.319 -6.444 -5.372 1.00 0.00 O ATOM 532 CB GLN A 34 6.218 -3.587 -6.006 1.00 0.00 C ATOM 533 CG GLN A 34 5.947 -3.604 -7.513 1.00 0.00 C ATOM 534 CD GLN A 34 4.605 -2.926 -7.800 1.00 0.00 C ATOM 535 OE1 GLN A 34 3.569 -3.558 -7.746 1.00 0.00 O ATOM 536 NE2 GLN A 34 4.582 -1.657 -8.104 1.00 0.00 N ATOM 0 H GLN A 34 6.534 -3.979 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 34 4.508 -4.888 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.825 -2.670 -5.567 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.292 -3.595 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.748 -3.088 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.933 -4.631 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.453 -1.127 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.693 -1.195 -8.297 1.00 0.00 H new ATOM 545 N ILE A 35 5.618 -6.811 -6.725 1.00 0.00 N ATOM 546 CA ILE A 35 6.225 -8.083 -7.234 1.00 0.00 C ATOM 547 C ILE A 35 7.308 -7.780 -8.285 1.00 0.00 C ATOM 548 O ILE A 35 8.288 -8.506 -8.319 1.00 0.00 O ATOM 549 CB ILE A 35 5.062 -8.877 -7.852 1.00 0.00 C ATOM 550 CG1 ILE A 35 5.548 -10.282 -8.230 1.00 0.00 C ATOM 551 CG2 ILE A 35 4.540 -8.165 -9.107 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.348 -11.216 -8.390 1.00 0.00 C ATOM 553 OXT ILE A 35 7.143 -6.827 -9.034 1.00 0.00 O ATOM 0 H ILE A 35 4.716 -6.568 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 35 6.713 -8.648 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 35 4.255 -8.948 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.117 -10.243 -9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.219 -10.665 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.717 -8.738 -9.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.188 -7.168 -8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.343 -8.082 -9.839 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.696 -12.213 -8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.797 -11.265 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.694 -10.837 -9.175 1.00 0.00 H new TER 565 ILE A 35