USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 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 GLY N :NH3+ -165:sc= 1.24 (180deg=1.23) USER MOD Single : A 7 ASN : amide:sc= 0.587 K(o=0.59,f=-2.4) USER MOD Single : A 9 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.6!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.11) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 17 SER OG : rot 66:sc= 0.99 USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 1.8 (180deg=-0.212) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 34 THR OG1 : rot 143:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= 1.25 (180deg=1.02) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.843 2.260 -2.497 1.00 0.00 N ATOM 2 CA GLY A 1 -9.333 1.417 -1.389 1.00 0.00 C ATOM 3 C GLY A 1 -8.981 2.257 -0.188 1.00 0.00 C ATOM 4 O GLY A 1 -9.578 3.312 0.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.311 1.658 -3.204 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.526 2.949 -2.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.050 2.765 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.086 0.679 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.454 0.866 -1.722 1.00 0.00 H new ATOM 10 N PHE A 2 -8.024 1.790 0.608 1.00 0.00 N ATOM 11 CA PHE A 2 -7.585 2.518 1.795 1.00 0.00 C ATOM 12 C PHE A 2 -7.109 3.916 1.411 1.00 0.00 C ATOM 13 O PHE A 2 -7.660 4.916 1.859 1.00 0.00 O ATOM 14 CB PHE A 2 -6.462 1.748 2.498 1.00 0.00 C ATOM 15 CG PHE A 2 -6.041 2.350 3.810 1.00 0.00 C ATOM 16 CD1 PHE A 2 -6.850 2.237 4.930 1.00 0.00 C ATOM 17 CD2 PHE A 2 -4.837 3.027 3.924 1.00 0.00 C ATOM 18 CE1 PHE A 2 -6.467 2.789 6.137 1.00 0.00 C ATOM 19 CE2 PHE A 2 -4.448 3.580 5.128 1.00 0.00 C ATOM 20 CZ PHE A 2 -5.264 3.462 6.237 1.00 0.00 C ATOM 0 H PHE A 2 -7.536 0.908 0.452 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.427 2.614 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -6.789 0.722 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.597 1.701 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -7.791 1.711 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.195 3.123 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.107 2.695 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.507 4.104 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.962 3.895 7.180 1.00 0.00 H new ATOM 30 N GLY A 3 -6.078 3.971 0.579 1.00 0.00 N ATOM 31 CA GLY A 3 -5.558 5.246 0.132 1.00 0.00 C ATOM 32 C GLY A 3 -5.727 5.423 -1.363 1.00 0.00 C ATOM 33 O GLY A 3 -6.213 6.451 -1.832 1.00 0.00 O ATOM 0 H GLY A 3 -5.593 3.155 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.072 6.053 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.502 5.320 0.391 1.00 0.00 H new ATOM 37 N CYS A 4 -5.328 4.403 -2.105 1.00 0.00 N ATOM 38 CA CYS A 4 -5.412 4.407 -3.557 1.00 0.00 C ATOM 39 C CYS A 4 -6.863 4.406 -4.037 1.00 0.00 C ATOM 40 O CYS A 4 -7.747 3.822 -3.395 1.00 0.00 O ATOM 41 CB CYS A 4 -4.688 3.175 -4.093 1.00 0.00 C ATOM 42 SG CYS A 4 -3.721 2.303 -2.817 1.00 0.00 S ATOM 0 H CYS A 4 -4.935 3.546 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.943 5.317 -3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.419 2.488 -4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.023 3.475 -4.903 1.00 0.00 H new ATOM 47 N PRO A 5 -7.133 5.055 -5.182 1.00 0.00 N ATOM 48 CA PRO A 5 -6.115 5.753 -5.969 1.00 0.00 C ATOM 49 C PRO A 5 -6.023 7.244 -5.636 1.00 0.00 C ATOM 50 O PRO A 5 -5.129 7.940 -6.110 1.00 0.00 O ATOM 51 CB PRO A 5 -6.627 5.559 -7.391 1.00 0.00 C ATOM 52 CG PRO A 5 -8.120 5.494 -7.270 1.00 0.00 C ATOM 53 CD PRO A 5 -8.446 5.113 -5.842 1.00 0.00 C ATOM 0 HA PRO A 5 -5.111 5.371 -5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.320 6.383 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.228 4.645 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.567 6.456 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.529 4.761 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.098 5.849 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.961 4.154 -5.792 1.00 0.00 H new ATOM 61 N PHE A 6 -6.952 7.714 -4.810 1.00 0.00 N ATOM 62 CA PHE A 6 -7.007 9.120 -4.413 1.00 0.00 C ATOM 63 C PHE A 6 -5.705 9.558 -3.741 1.00 0.00 C ATOM 64 O PHE A 6 -4.974 10.395 -4.269 1.00 0.00 O ATOM 65 CB PHE A 6 -8.197 9.350 -3.474 1.00 0.00 C ATOM 66 CG PHE A 6 -8.561 10.798 -3.291 1.00 0.00 C ATOM 67 CD1 PHE A 6 -8.496 11.687 -4.353 1.00 0.00 C ATOM 68 CD2 PHE A 6 -8.972 11.268 -2.054 1.00 0.00 C ATOM 69 CE1 PHE A 6 -8.833 13.016 -4.183 1.00 0.00 C ATOM 70 CE2 PHE A 6 -9.309 12.596 -1.879 1.00 0.00 C ATOM 71 CZ PHE A 6 -9.239 13.471 -2.944 1.00 0.00 C ATOM 0 H PHE A 6 -7.685 7.136 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.137 9.724 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.063 8.815 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.967 8.918 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.178 11.337 -5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.030 10.588 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -8.779 13.698 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -9.627 12.949 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 6 -9.501 14.510 -2.809 1.00 0.00 H new ATOM 81 N ASN A 7 -5.406 8.972 -2.594 1.00 0.00 N ATOM 82 CA ASN A 7 -4.191 9.309 -1.866 1.00 0.00 C ATOM 83 C ASN A 7 -3.213 8.147 -1.941 1.00 0.00 C ATOM 84 O ASN A 7 -2.588 7.759 -0.947 1.00 0.00 O ATOM 85 CB ASN A 7 -4.501 9.659 -0.403 1.00 0.00 C ATOM 86 CG ASN A 7 -5.162 11.019 -0.249 1.00 0.00 C ATOM 87 OD1 ASN A 7 -6.029 11.396 -1.035 1.00 0.00 O ATOM 88 ND2 ASN A 7 -4.749 11.773 0.756 1.00 0.00 N ATOM 0 H ASN A 7 -5.985 8.262 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.741 10.188 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.153 8.894 0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.576 9.643 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.152 12.699 0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.027 11.428 1.389 1.00 0.00 H new ATOM 95 N GLU A 8 -3.079 7.593 -3.142 1.00 0.00 N ATOM 96 CA GLU A 8 -2.188 6.467 -3.368 1.00 0.00 C ATOM 97 C GLU A 8 -0.747 6.854 -3.081 1.00 0.00 C ATOM 98 O GLU A 8 0.016 6.057 -2.549 1.00 0.00 O ATOM 99 CB GLU A 8 -2.318 5.944 -4.798 1.00 0.00 C ATOM 100 CG GLU A 8 -1.508 4.683 -5.047 1.00 0.00 C ATOM 101 CD GLU A 8 -1.946 3.940 -6.289 1.00 0.00 C ATOM 102 OE1 GLU A 8 -3.152 3.991 -6.616 1.00 0.00 O ATOM 103 OE2 GLU A 8 -1.087 3.293 -6.922 1.00 0.00 O ATOM 0 H GLU A 8 -3.579 7.908 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.478 5.671 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.368 5.742 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.995 6.719 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.454 4.946 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.597 4.023 -4.184 1.00 0.00 H new ATOM 110 N ASN A 9 -0.389 8.087 -3.418 1.00 0.00 N ATOM 111 CA ASN A 9 0.966 8.576 -3.184 1.00 0.00 C ATOM 112 C ASN A 9 1.314 8.494 -1.705 1.00 0.00 C ATOM 113 O ASN A 9 2.419 8.098 -1.346 1.00 0.00 O ATOM 114 CB ASN A 9 1.121 10.017 -3.678 1.00 0.00 C ATOM 115 CG ASN A 9 1.576 10.088 -5.123 1.00 0.00 C ATOM 116 OD1 ASN A 9 2.283 9.209 -5.607 1.00 0.00 O ATOM 117 ND2 ASN A 9 1.174 11.141 -5.821 1.00 0.00 N ATOM 0 H ASN A 9 -1.015 8.765 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 9 1.653 7.942 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.169 10.538 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.841 10.539 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.452 11.242 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.587 11.850 -5.382 1.00 0.00 H new ATOM 124 N GLU A 10 0.355 8.836 -0.851 1.00 0.00 N ATOM 125 CA GLU A 10 0.566 8.794 0.590 1.00 0.00 C ATOM 126 C GLU A 10 0.639 7.351 1.065 1.00 0.00 C ATOM 127 O GLU A 10 1.510 6.988 1.853 1.00 0.00 O ATOM 128 CB GLU A 10 -0.551 9.531 1.321 1.00 0.00 C ATOM 129 CG GLU A 10 -0.611 11.014 1.000 1.00 0.00 C ATOM 130 CD GLU A 10 -1.717 11.719 1.753 1.00 0.00 C ATOM 131 OE1 GLU A 10 -2.661 11.033 2.197 1.00 0.00 O ATOM 132 OE2 GLU A 10 -1.647 12.955 1.892 1.00 0.00 O ATOM 0 H GLU A 10 -0.575 9.145 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 10 1.510 9.291 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.506 9.073 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.416 9.405 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.345 11.476 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.762 11.146 -0.071 1.00 0.00 H new ATOM 139 N CYS A 11 -0.284 6.531 0.575 1.00 0.00 N ATOM 140 CA CYS A 11 -0.314 5.114 0.924 1.00 0.00 C ATOM 141 C CYS A 11 0.999 4.454 0.512 1.00 0.00 C ATOM 142 O CYS A 11 1.636 3.744 1.299 1.00 0.00 O ATOM 143 CB CYS A 11 -1.501 4.437 0.228 1.00 0.00 C ATOM 144 SG CYS A 11 -1.304 2.645 -0.045 1.00 0.00 S ATOM 0 H CYS A 11 -1.022 6.823 -0.066 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.434 5.006 2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.398 4.603 0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.665 4.921 -0.735 1.00 0.00 H new ATOM 149 N HIS A 12 1.403 4.730 -0.718 1.00 0.00 N ATOM 150 CA HIS A 12 2.638 4.204 -1.279 1.00 0.00 C ATOM 151 C HIS A 12 3.838 4.697 -0.472 1.00 0.00 C ATOM 152 O HIS A 12 4.720 3.914 -0.114 1.00 0.00 O ATOM 153 CB HIS A 12 2.760 4.639 -2.744 1.00 0.00 C ATOM 154 CG HIS A 12 3.716 3.824 -3.556 1.00 0.00 C ATOM 155 ND1 HIS A 12 3.314 2.950 -4.544 1.00 0.00 N ATOM 156 CD2 HIS A 12 5.066 3.771 -3.538 1.00 0.00 C ATOM 157 CE1 HIS A 12 4.377 2.395 -5.096 1.00 0.00 C ATOM 158 NE2 HIS A 12 5.454 2.877 -4.504 1.00 0.00 N ATOM 0 H HIS A 12 0.881 5.328 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 12 2.620 3.115 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.775 4.589 -3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.074 5.682 -2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.719 4.329 -2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.367 1.670 -5.896 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.417 2.626 -4.728 1.00 0.00 H new ATOM 167 N ALA A 13 3.860 5.998 -0.186 1.00 0.00 N ATOM 168 CA ALA A 13 4.942 6.600 0.586 1.00 0.00 C ATOM 169 C ALA A 13 5.019 5.976 1.970 1.00 0.00 C ATOM 170 O ALA A 13 6.103 5.652 2.451 1.00 0.00 O ATOM 171 CB ALA A 13 4.758 8.105 0.692 1.00 0.00 C ATOM 0 H ALA A 13 3.138 6.656 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 13 5.880 6.407 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.576 8.532 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.754 8.542 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.811 8.322 1.187 1.00 0.00 H new ATOM 177 N HIS A 14 3.859 5.804 2.603 1.00 0.00 N ATOM 178 CA HIS A 14 3.790 5.196 3.926 1.00 0.00 C ATOM 179 C HIS A 14 4.428 3.824 3.894 1.00 0.00 C ATOM 180 O HIS A 14 5.253 3.493 4.739 1.00 0.00 O ATOM 181 CB HIS A 14 2.343 5.059 4.395 1.00 0.00 C ATOM 182 CG HIS A 14 2.219 4.445 5.760 1.00 0.00 C ATOM 183 ND1 HIS A 14 2.973 4.854 6.842 1.00 0.00 N ATOM 184 CD2 HIS A 14 1.449 3.424 6.207 1.00 0.00 C ATOM 185 CE1 HIS A 14 2.674 4.109 7.892 1.00 0.00 C ATOM 186 NE2 HIS A 14 1.751 3.237 7.533 1.00 0.00 N ATOM 0 H HIS A 14 2.955 6.078 2.218 1.00 0.00 H new ATOM 0 HA HIS A 14 4.325 5.843 4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.876 6.044 4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.792 4.450 3.678 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.731 2.862 5.628 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.111 4.199 8.876 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.330 2.536 8.143 1.00 0.00 H new ATOM 195 N CYS A 15 4.018 3.038 2.913 1.00 0.00 N ATOM 196 CA CYS A 15 4.545 1.689 2.727 1.00 0.00 C ATOM 197 C CYS A 15 6.066 1.724 2.647 1.00 0.00 C ATOM 198 O CYS A 15 6.765 0.940 3.297 1.00 0.00 O ATOM 199 CB CYS A 15 3.954 1.069 1.455 1.00 0.00 C ATOM 200 SG CYS A 15 4.748 -0.485 0.937 1.00 0.00 S ATOM 0 H CYS A 15 3.316 3.311 2.225 1.00 0.00 H new ATOM 0 HA CYS A 15 4.260 1.075 3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.892 0.884 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.033 1.792 0.643 1.00 0.00 H new ATOM 205 N LEU A 16 6.567 2.677 1.886 1.00 0.00 N ATOM 206 CA LEU A 16 8.001 2.858 1.710 1.00 0.00 C ATOM 207 C LEU A 16 8.672 3.238 3.027 1.00 0.00 C ATOM 208 O LEU A 16 9.846 2.933 3.252 1.00 0.00 O ATOM 209 CB LEU A 16 8.264 3.937 0.663 1.00 0.00 C ATOM 210 CG LEU A 16 8.537 3.422 -0.754 1.00 0.00 C ATOM 211 CD1 LEU A 16 7.414 2.505 -1.215 1.00 0.00 C ATOM 212 CD2 LEU A 16 8.701 4.583 -1.720 1.00 0.00 C ATOM 0 H LEU A 16 5.996 3.348 1.372 1.00 0.00 H new ATOM 0 HA LEU A 16 8.425 1.913 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.403 4.605 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.118 4.533 0.986 1.00 0.00 H new ATOM 0 HG LEU A 16 9.465 2.851 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.626 2.149 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.338 1.654 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.472 3.054 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.894 4.199 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.789 5.180 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.538 5.205 -1.402 1.00 0.00 H new ATOM 224 N SER A 17 7.913 3.888 3.902 1.00 0.00 N ATOM 225 CA SER A 17 8.429 4.319 5.194 1.00 0.00 C ATOM 226 C SER A 17 8.585 3.140 6.153 1.00 0.00 C ATOM 227 O SER A 17 9.290 3.242 7.155 1.00 0.00 O ATOM 228 CB SER A 17 7.505 5.369 5.819 1.00 0.00 C ATOM 229 OG SER A 17 7.092 6.333 4.866 1.00 0.00 O ATOM 0 H SER A 17 6.935 4.128 3.738 1.00 0.00 H new ATOM 0 HA SER A 17 9.412 4.758 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.629 4.878 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.021 5.866 6.640 1.00 0.00 H new ATOM 0 HG SER A 17 6.529 5.903 4.189 1.00 0.00 H new ATOM 235 N ILE A 18 7.943 2.012 5.848 1.00 0.00 N ATOM 236 CA ILE A 18 8.042 0.844 6.716 1.00 0.00 C ATOM 237 C ILE A 18 9.141 -0.092 6.224 1.00 0.00 C ATOM 238 O ILE A 18 9.116 -1.293 6.485 1.00 0.00 O ATOM 239 CB ILE A 18 6.710 0.060 6.837 1.00 0.00 C ATOM 240 CG1 ILE A 18 5.572 0.771 6.106 1.00 0.00 C ATOM 241 CG2 ILE A 18 6.348 -0.125 8.305 1.00 0.00 C ATOM 242 CD1 ILE A 18 4.291 -0.034 6.047 1.00 0.00 C ATOM 0 H ILE A 18 7.359 1.885 5.021 1.00 0.00 H new ATOM 0 HA ILE A 18 8.286 1.221 7.709 1.00 0.00 H new ATOM 0 HB ILE A 18 6.851 -0.915 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.371 1.721 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.893 1.002 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.411 -0.677 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.139 -0.682 8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.234 0.851 8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.529 0.534 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.475 -0.973 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.946 -0.243 7.060 1.00 0.00 H new ATOM 254 N GLY A 19 10.094 0.466 5.486 1.00 0.00 N ATOM 255 CA GLY A 19 11.205 -0.319 4.978 1.00 0.00 C ATOM 256 C GLY A 19 10.918 -0.957 3.633 1.00 0.00 C ATOM 257 O GLY A 19 11.843 -1.338 2.910 1.00 0.00 O ATOM 0 H GLY A 19 10.117 1.453 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.083 0.320 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.450 -1.099 5.699 1.00 0.00 H new ATOM 261 N ARG A 20 9.644 -1.052 3.281 1.00 0.00 N ATOM 262 CA ARG A 20 9.245 -1.657 2.018 1.00 0.00 C ATOM 263 C ARG A 20 9.673 -0.779 0.844 1.00 0.00 C ATOM 264 O ARG A 20 9.952 0.408 1.012 1.00 0.00 O ATOM 265 CB ARG A 20 7.733 -1.893 1.990 1.00 0.00 C ATOM 266 CG ARG A 20 7.276 -3.069 2.846 1.00 0.00 C ATOM 267 CD ARG A 20 7.057 -2.670 4.299 1.00 0.00 C ATOM 268 NE ARG A 20 6.336 -3.701 5.043 1.00 0.00 N ATOM 269 CZ ARG A 20 6.587 -4.037 6.308 1.00 0.00 C ATOM 270 NH1 ARG A 20 7.544 -3.421 6.992 1.00 0.00 N ATOM 271 NH2 ARG A 20 5.872 -4.991 6.891 1.00 0.00 N ATOM 0 H ARG A 20 8.868 -0.718 3.853 1.00 0.00 H new ATOM 0 HA ARG A 20 9.745 -2.621 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.228 -0.990 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.421 -2.063 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.350 -3.475 2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.021 -3.863 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.020 -2.486 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.498 -1.735 4.339 1.00 0.00 H new ATOM 0 HE ARG A 20 5.588 -4.198 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.094 -2.684 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.729 -3.684 7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.133 -5.464 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.061 -5.251 7.859 1.00 0.00 H new ATOM 285 N LYS A 21 9.769 -1.373 -0.337 1.00 0.00 N ATOM 286 CA LYS A 21 10.183 -0.632 -1.525 1.00 0.00 C ATOM 287 C LYS A 21 9.008 -0.359 -2.451 1.00 0.00 C ATOM 288 O LYS A 21 9.000 0.624 -3.190 1.00 0.00 O ATOM 289 CB LYS A 21 11.289 -1.387 -2.261 1.00 0.00 C ATOM 290 CG LYS A 21 12.599 -1.430 -1.489 1.00 0.00 C ATOM 291 CD LYS A 21 13.205 -0.041 -1.344 1.00 0.00 C ATOM 292 CE LYS A 21 13.830 0.164 0.028 1.00 0.00 C ATOM 293 NZ LYS A 21 12.807 0.438 1.076 1.00 0.00 N ATOM 0 H LYS A 21 9.568 -2.360 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 21 10.573 0.333 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.956 -2.406 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.460 -0.916 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.427 -1.858 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.304 -2.084 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.962 0.107 -2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.433 0.711 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.400 -0.724 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.535 0.994 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.046 1.320 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.872 0.533 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.788 -0.348 1.757 1.00 0.00 H new ATOM 307 N PHE A 22 8.020 -1.234 -2.406 1.00 0.00 N ATOM 308 CA PHE A 22 6.828 -1.086 -3.230 1.00 0.00 C ATOM 309 C PHE A 22 5.613 -1.554 -2.452 1.00 0.00 C ATOM 310 O PHE A 22 5.721 -2.412 -1.572 1.00 0.00 O ATOM 311 CB PHE A 22 6.906 -1.888 -4.535 1.00 0.00 C ATOM 312 CG PHE A 22 8.293 -2.085 -5.087 1.00 0.00 C ATOM 313 CD1 PHE A 22 8.874 -1.123 -5.898 1.00 0.00 C ATOM 314 CD2 PHE A 22 9.011 -3.235 -4.798 1.00 0.00 C ATOM 315 CE1 PHE A 22 10.145 -1.304 -6.410 1.00 0.00 C ATOM 316 CE2 PHE A 22 10.283 -3.421 -5.308 1.00 0.00 C ATOM 317 CZ PHE A 22 10.850 -2.454 -6.114 1.00 0.00 C ATOM 0 H PHE A 22 8.017 -2.059 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 22 6.751 -0.030 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.457 -2.867 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.301 -1.384 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.327 -0.222 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.572 -3.994 -4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.586 -0.547 -7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.832 -4.322 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.844 -2.597 -6.512 1.00 0.00 H new ATOM 327 N GLY A 23 4.463 -1.011 -2.801 1.00 0.00 N ATOM 328 CA GLY A 23 3.234 -1.372 -2.129 1.00 0.00 C ATOM 329 C GLY A 23 2.095 -0.440 -2.476 1.00 0.00 C ATOM 330 O GLY A 23 2.319 0.737 -2.773 1.00 0.00 O ATOM 0 H GLY A 23 4.356 -0.320 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.961 -2.392 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.395 -1.360 -1.051 1.00 0.00 H new ATOM 334 N PHE A 24 0.883 -0.975 -2.452 1.00 0.00 N ATOM 335 CA PHE A 24 -0.324 -0.216 -2.757 1.00 0.00 C ATOM 336 C PHE A 24 -1.538 -1.044 -2.367 1.00 0.00 C ATOM 337 O PHE A 24 -1.389 -2.152 -1.866 1.00 0.00 O ATOM 338 CB PHE A 24 -0.391 0.170 -4.243 1.00 0.00 C ATOM 339 CG PHE A 24 -0.323 -0.997 -5.194 1.00 0.00 C ATOM 340 CD1 PHE A 24 0.899 -1.498 -5.615 1.00 0.00 C ATOM 341 CD2 PHE A 24 -1.483 -1.589 -5.669 1.00 0.00 C ATOM 342 CE1 PHE A 24 0.963 -2.567 -6.490 1.00 0.00 C ATOM 343 CE2 PHE A 24 -1.425 -2.658 -6.544 1.00 0.00 C ATOM 344 CZ PHE A 24 -0.200 -3.146 -6.954 1.00 0.00 C ATOM 0 H PHE A 24 0.707 -1.952 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.308 0.712 -2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.317 0.716 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.429 0.853 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.812 -1.048 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.444 -1.211 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.922 -2.948 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.336 -3.111 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.152 -3.981 -7.638 1.00 0.00 H new ATOM 354 N CYS A 25 -2.728 -0.514 -2.590 1.00 0.00 N ATOM 355 CA CYS A 25 -3.953 -1.223 -2.243 1.00 0.00 C ATOM 356 C CYS A 25 -4.060 -2.540 -3.006 1.00 0.00 C ATOM 357 O CYS A 25 -4.284 -2.555 -4.216 1.00 0.00 O ATOM 358 CB CYS A 25 -5.173 -0.349 -2.534 1.00 0.00 C ATOM 359 SG CYS A 25 -5.116 1.293 -1.740 1.00 0.00 S ATOM 0 H CYS A 25 -2.875 0.404 -3.009 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.921 -1.447 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.264 -0.217 -3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.069 -0.872 -2.200 1.00 0.00 H new ATOM 364 N ALA A 26 -3.908 -3.642 -2.287 1.00 0.00 N ATOM 365 CA ALA A 26 -3.973 -4.962 -2.891 1.00 0.00 C ATOM 366 C ALA A 26 -4.817 -5.905 -2.043 1.00 0.00 C ATOM 367 O ALA A 26 -4.505 -6.162 -0.882 1.00 0.00 O ATOM 368 CB ALA A 26 -2.573 -5.526 -3.082 1.00 0.00 C ATOM 0 H ALA A 26 -3.738 -3.647 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.447 -4.868 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.638 -6.515 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.000 -4.865 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.076 -5.602 -2.115 1.00 0.00 H new ATOM 374 N GLY A 27 -5.891 -6.410 -2.631 1.00 0.00 N ATOM 375 CA GLY A 27 -6.771 -7.317 -1.926 1.00 0.00 C ATOM 376 C GLY A 27 -8.225 -7.036 -2.239 1.00 0.00 C ATOM 377 O GLY A 27 -8.762 -6.026 -1.798 1.00 0.00 O ATOM 0 H GLY A 27 -6.170 -6.206 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.531 -8.344 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.605 -7.226 -0.853 1.00 0.00 H new ATOM 381 N PRO A 28 -8.886 -7.917 -3.006 1.00 0.00 N ATOM 382 CA PRO A 28 -10.295 -7.740 -3.390 1.00 0.00 C ATOM 383 C PRO A 28 -11.224 -7.573 -2.190 1.00 0.00 C ATOM 384 O PRO A 28 -12.057 -6.672 -2.160 1.00 0.00 O ATOM 385 CB PRO A 28 -10.627 -9.033 -4.144 1.00 0.00 C ATOM 386 CG PRO A 28 -9.312 -9.547 -4.619 1.00 0.00 C ATOM 387 CD PRO A 28 -8.314 -9.155 -3.568 1.00 0.00 C ATOM 0 HA PRO A 28 -10.436 -6.834 -3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.122 -9.754 -3.493 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.301 -8.842 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.339 -10.629 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.051 -9.117 -5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.204 -9.929 -2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.326 -8.985 -3.995 1.00 0.00 H new ATOM 395 N LEU A 29 -11.062 -8.430 -1.193 1.00 0.00 N ATOM 396 CA LEU A 29 -11.903 -8.379 -0.004 1.00 0.00 C ATOM 397 C LEU A 29 -11.219 -7.621 1.132 1.00 0.00 C ATOM 398 O LEU A 29 -11.127 -8.124 2.255 1.00 0.00 O ATOM 399 CB LEU A 29 -12.255 -9.798 0.451 1.00 0.00 C ATOM 400 CG LEU A 29 -13.025 -10.640 -0.570 1.00 0.00 C ATOM 401 CD1 LEU A 29 -13.186 -12.067 -0.072 1.00 0.00 C ATOM 402 CD2 LEU A 29 -14.385 -10.020 -0.858 1.00 0.00 C ATOM 0 H LEU A 29 -10.358 -9.168 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.817 -7.844 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.332 -10.320 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.847 -9.733 1.364 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.453 -10.661 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.736 -12.650 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.203 -12.511 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.735 -12.064 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.917 -10.632 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.963 -9.967 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.249 -9.016 -1.259 1.00 0.00 H new ATOM 414 N ARG A 30 -10.741 -6.413 0.839 1.00 0.00 N ATOM 415 CA ARG A 30 -10.073 -5.584 1.842 1.00 0.00 C ATOM 416 C ARG A 30 -9.766 -4.196 1.286 1.00 0.00 C ATOM 417 O ARG A 30 -10.061 -3.186 1.923 1.00 0.00 O ATOM 418 CB ARG A 30 -8.781 -6.255 2.322 1.00 0.00 C ATOM 419 CG ARG A 30 -8.373 -5.863 3.735 1.00 0.00 C ATOM 420 CD ARG A 30 -9.512 -6.047 4.728 1.00 0.00 C ATOM 421 NE ARG A 30 -10.103 -7.384 4.648 1.00 0.00 N ATOM 422 CZ ARG A 30 -10.172 -8.237 5.667 1.00 0.00 C ATOM 423 NH1 ARG A 30 -9.681 -7.900 6.857 1.00 0.00 N ATOM 424 NH2 ARG A 30 -10.732 -9.430 5.494 1.00 0.00 N ATOM 0 H ARG A 30 -10.804 -5.986 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.749 -5.474 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.906 -7.337 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.973 -5.999 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.519 -6.465 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.049 -4.822 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.142 -5.875 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.282 -5.299 4.538 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.488 -7.682 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.250 -6.985 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.736 -8.556 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.107 -9.690 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.786 -10.086 6.273 1.00 0.00 H new ATOM 438 N ALA A 31 -9.160 -4.168 0.099 1.00 0.00 N ATOM 439 CA ALA A 31 -8.800 -2.924 -0.589 1.00 0.00 C ATOM 440 C ALA A 31 -7.808 -2.078 0.211 1.00 0.00 C ATOM 441 O ALA A 31 -7.657 -0.880 -0.042 1.00 0.00 O ATOM 442 CB ALA A 31 -10.049 -2.115 -0.921 1.00 0.00 C ATOM 0 H ALA A 31 -8.903 -5.010 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.302 -3.206 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.762 -1.195 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.701 -2.701 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.579 -1.869 -0.001 1.00 0.00 H new ATOM 448 N THR A 32 -7.122 -2.700 1.158 1.00 0.00 N ATOM 449 CA THR A 32 -6.151 -2.000 1.982 1.00 0.00 C ATOM 450 C THR A 32 -4.792 -1.966 1.300 1.00 0.00 C ATOM 451 O THR A 32 -4.563 -2.680 0.323 1.00 0.00 O ATOM 452 CB THR A 32 -6.008 -2.678 3.354 1.00 0.00 C ATOM 453 OG1 THR A 32 -5.985 -4.100 3.188 1.00 0.00 O ATOM 454 CG2 THR A 32 -7.152 -2.284 4.278 1.00 0.00 C ATOM 0 H THR A 32 -7.221 -3.692 1.375 1.00 0.00 H new ATOM 0 HA THR A 32 -6.511 -0.981 2.121 1.00 0.00 H new ATOM 0 HB THR A 32 -5.073 -2.347 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.892 -4.530 4.064 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.027 -2.777 5.242 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.149 -1.203 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.100 -2.589 3.834 1.00 0.00 H new ATOM 462 N CYS A 33 -3.897 -1.131 1.806 1.00 0.00 N ATOM 463 CA CYS A 33 -2.566 -1.029 1.240 1.00 0.00 C ATOM 464 C CYS A 33 -1.726 -2.224 1.645 1.00 0.00 C ATOM 465 O CYS A 33 -1.526 -2.491 2.829 1.00 0.00 O ATOM 466 CB CYS A 33 -1.868 0.246 1.692 1.00 0.00 C ATOM 467 SG CYS A 33 -2.686 1.788 1.170 1.00 0.00 S ATOM 0 H CYS A 33 -4.069 -0.518 2.603 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.674 -1.005 0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.797 0.239 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.849 0.243 1.306 1.00 0.00 H new ATOM 472 N THR A 34 -1.249 -2.929 0.651 1.00 0.00 N ATOM 473 CA THR A 34 -0.421 -4.099 0.853 1.00 0.00 C ATOM 474 C THR A 34 0.894 -3.930 0.103 1.00 0.00 C ATOM 475 O THR A 34 0.910 -3.594 -1.084 1.00 0.00 O ATOM 476 CB THR A 34 -1.139 -5.375 0.378 1.00 0.00 C ATOM 477 OG1 THR A 34 -2.512 -5.341 0.799 1.00 0.00 O ATOM 478 CG2 THR A 34 -0.466 -6.620 0.934 1.00 0.00 C ATOM 0 H THR A 34 -1.423 -2.709 -0.330 1.00 0.00 H new ATOM 0 HA THR A 34 -0.222 -4.201 1.920 1.00 0.00 H new ATOM 0 HB THR A 34 -1.086 -5.413 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.079 -5.726 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.994 -7.507 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.569 -6.656 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.491 -6.591 2.023 1.00 0.00 H new ATOM 486 N CYS A 35 1.994 -4.139 0.797 1.00 0.00 N ATOM 487 CA CYS A 35 3.306 -3.987 0.196 1.00 0.00 C ATOM 488 C CYS A 35 3.797 -5.301 -0.403 1.00 0.00 C ATOM 489 O CYS A 35 3.288 -6.375 -0.078 1.00 0.00 O ATOM 490 CB CYS A 35 4.293 -3.470 1.235 1.00 0.00 C ATOM 491 SG CYS A 35 3.787 -1.905 2.022 1.00 0.00 S ATOM 0 H CYS A 35 2.007 -4.415 1.779 1.00 0.00 H new ATOM 0 HA CYS A 35 3.230 -3.264 -0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.423 -4.228 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.264 -3.329 0.761 1.00 0.00 H new ATOM 496 N GLY A 36 4.799 -5.204 -1.276 1.00 0.00 N ATOM 497 CA GLY A 36 5.355 -6.381 -1.928 1.00 0.00 C ATOM 498 C GLY A 36 6.047 -7.321 -0.961 1.00 0.00 C ATOM 499 O GLY A 36 6.374 -8.460 -1.302 1.00 0.00 O ATOM 0 H GLY A 36 5.239 -4.324 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.556 -6.918 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.066 -6.065 -2.691 1.00 0.00 H new ATOM 503 N LYS A 37 6.315 -6.822 0.227 1.00 0.00 N ATOM 504 CA LYS A 37 6.957 -7.605 1.270 1.00 0.00 C ATOM 505 C LYS A 37 6.127 -7.554 2.545 1.00 0.00 C ATOM 506 O LYS A 37 6.670 -7.613 3.646 1.00 0.00 O ATOM 507 CB LYS A 37 8.377 -7.095 1.526 1.00 0.00 C ATOM 508 CG LYS A 37 9.373 -7.529 0.462 1.00 0.00 C ATOM 509 CD LYS A 37 9.652 -9.022 0.539 1.00 0.00 C ATOM 510 CE LYS A 37 9.907 -9.615 -0.838 1.00 0.00 C ATOM 511 NZ LYS A 37 8.640 -9.983 -1.530 1.00 0.00 N ATOM 0 H LYS A 37 6.096 -5.864 0.500 1.00 0.00 H new ATOM 0 HA LYS A 37 7.025 -8.642 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.361 -6.006 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.715 -7.454 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.984 -7.280 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.304 -6.976 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.517 -9.199 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.805 -9.528 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.457 -8.897 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.537 -10.499 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.722 -9.765 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.461 -11.000 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.852 -9.441 -1.122 1.00 0.00 H new ATOM 525 N GLN A 38 4.809 -7.444 2.365 1.00 0.00 N ATOM 526 CA GLN A 38 3.864 -7.365 3.478 1.00 0.00 C ATOM 527 C GLN A 38 4.149 -6.130 4.323 1.00 0.00 C ATOM 528 O GLN A 38 4.528 -5.093 3.736 1.00 0.00 O ATOM 529 CB GLN A 38 3.911 -8.633 4.341 1.00 0.00 C ATOM 530 CG GLN A 38 3.335 -9.860 3.652 1.00 0.00 C ATOM 531 CD GLN A 38 3.307 -11.083 4.551 1.00 0.00 C ATOM 532 OE1 GLN A 38 3.164 -10.978 5.766 1.00 0.00 O ATOM 533 NE2 GLN A 38 3.439 -12.258 3.954 1.00 0.00 N ATOM 534 OXT GLN A 38 3.998 -6.195 5.558 1.00 0.00 O ATOM 0 H GLN A 38 4.369 -7.407 1.446 1.00 0.00 H new ATOM 0 HA GLN A 38 2.859 -7.284 3.064 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.945 -8.835 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.361 -8.454 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.322 -9.640 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.925 -10.082 2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.556 -12.306 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.424 -13.115 4.506 1.00 0.00 H new TER 543 GLN A 38