USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 145 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -3.27 K(o=-3.3,f=-13!) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.378 1.898 -1.059 1.00 0.00 N ATOM 2 CA GLY A 1 -11.026 1.319 -1.290 1.00 0.00 C ATOM 3 C GLY A 1 -10.007 1.800 -0.275 1.00 0.00 C ATOM 4 O GLY A 1 -10.115 1.497 0.914 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.037 1.538 -1.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.715 1.626 -0.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.327 2.935 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.088 0.232 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.688 1.582 -2.292 1.00 0.00 H new ATOM 10 N ARG A 2 -9.015 2.550 -0.744 1.00 0.00 N ATOM 11 CA ARG A 2 -7.970 3.075 0.128 1.00 0.00 C ATOM 12 C ARG A 2 -7.272 1.945 0.879 1.00 0.00 C ATOM 13 O ARG A 2 -6.874 2.102 2.034 1.00 0.00 O ATOM 14 CB ARG A 2 -8.560 4.084 1.117 1.00 0.00 C ATOM 15 CG ARG A 2 -8.135 5.519 0.846 1.00 0.00 C ATOM 16 CD ARG A 2 -8.572 5.977 -0.535 1.00 0.00 C ATOM 17 NE ARG A 2 -7.565 5.684 -1.552 1.00 0.00 N ATOM 18 CZ ARG A 2 -7.793 5.748 -2.861 1.00 0.00 C ATOM 19 NH1 ARG A 2 -8.990 6.093 -3.319 1.00 0.00 N ATOM 20 NH2 ARG A 2 -6.820 5.465 -3.717 1.00 0.00 N ATOM 0 H ARG A 2 -8.913 2.808 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.231 3.582 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.648 4.023 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.259 3.809 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.566 6.176 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.052 5.601 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.509 5.487 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.768 7.049 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.632 5.414 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.742 6.311 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.157 6.140 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.898 5.199 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.994 5.514 -4.721 1.00 0.00 H new ATOM 34 N MET A 3 -7.125 0.809 0.209 1.00 0.00 N ATOM 35 CA MET A 3 -6.475 -0.357 0.800 1.00 0.00 C ATOM 36 C MET A 3 -6.532 -1.549 -0.152 1.00 0.00 C ATOM 37 O MET A 3 -7.055 -2.608 0.194 1.00 0.00 O ATOM 38 CB MET A 3 -7.134 -0.724 2.132 1.00 0.00 C ATOM 39 CG MET A 3 -8.644 -0.875 2.042 1.00 0.00 C ATOM 40 SD MET A 3 -9.239 -2.408 2.783 1.00 0.00 S ATOM 41 CE MET A 3 -10.669 -1.817 3.686 1.00 0.00 C ATOM 0 H MET A 3 -7.448 0.669 -0.748 1.00 0.00 H new ATOM 0 HA MET A 3 -5.431 -0.103 0.981 1.00 0.00 H new ATOM 0 HB2 MET A 3 -6.705 -1.658 2.495 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.897 0.044 2.869 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.119 -0.029 2.538 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.946 -0.842 0.995 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.146 -2.652 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.355 -1.073 4.418 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.377 -1.366 2.991 1.00 0.00 H new ATOM 51 N LEU A 4 -5.989 -1.369 -1.351 1.00 0.00 N ATOM 52 CA LEU A 4 -5.979 -2.434 -2.350 1.00 0.00 C ATOM 53 C LEU A 4 -5.180 -2.042 -3.578 1.00 0.00 C ATOM 54 O LEU A 4 -4.280 -2.762 -4.009 1.00 0.00 O ATOM 55 CB LEU A 4 -7.409 -2.820 -2.744 1.00 0.00 C ATOM 56 CG LEU A 4 -7.780 -4.284 -2.483 1.00 0.00 C ATOM 57 CD1 LEU A 4 -8.778 -4.390 -1.337 1.00 0.00 C ATOM 58 CD2 LEU A 4 -8.345 -4.925 -3.744 1.00 0.00 C ATOM 0 H LEU A 4 -5.551 -0.499 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.493 -3.300 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.105 -2.182 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.547 -2.609 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.875 -4.821 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.028 -5.437 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.338 -3.971 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.683 -3.837 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.603 -5.964 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.238 -4.385 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.599 -4.886 -4.538 1.00 0.00 H new ATOM 70 N PRO A 5 -5.508 -0.895 -4.154 1.00 0.00 N ATOM 71 CA PRO A 5 -4.853 -0.367 -5.344 1.00 0.00 C ATOM 72 C PRO A 5 -3.557 0.339 -4.974 1.00 0.00 C ATOM 73 O PRO A 5 -2.744 0.683 -5.831 1.00 0.00 O ATOM 74 CB PRO A 5 -5.910 0.614 -5.888 1.00 0.00 C ATOM 75 CG PRO A 5 -7.115 0.368 -5.030 1.00 0.00 C ATOM 76 CD PRO A 5 -6.557 0.002 -3.713 1.00 0.00 C ATOM 0 HA PRO A 5 -4.562 -1.126 -6.070 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.571 1.647 -5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.125 0.425 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.743 1.256 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.735 -0.431 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.173 0.862 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.286 -0.488 -3.068 1.00 0.00 H new ATOM 84 N GLN A 6 -3.376 0.525 -3.671 1.00 0.00 N ATOM 85 CA GLN A 6 -2.188 1.160 -3.129 1.00 0.00 C ATOM 86 C GLN A 6 -1.326 0.132 -2.393 1.00 0.00 C ATOM 87 O GLN A 6 -0.149 0.368 -2.131 1.00 0.00 O ATOM 88 CB GLN A 6 -2.593 2.289 -2.178 1.00 0.00 C ATOM 89 CG GLN A 6 -3.063 1.810 -0.811 1.00 0.00 C ATOM 90 CD GLN A 6 -4.381 2.432 -0.394 1.00 0.00 C ATOM 91 OE1 GLN A 6 -5.390 2.300 -1.088 1.00 0.00 O ATOM 92 NE2 GLN A 6 -4.380 3.115 0.745 1.00 0.00 N ATOM 0 H GLN A 6 -4.052 0.238 -2.963 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.604 1.578 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.744 2.959 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.389 2.872 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.167 0.725 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.303 2.047 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.521 3.199 1.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.238 3.556 1.076 1.00 0.00 H new ATOM 101 N LEU A 7 -1.930 -1.010 -2.061 1.00 0.00 N ATOM 102 CA LEU A 7 -1.232 -2.076 -1.352 1.00 0.00 C ATOM 103 C LEU A 7 0.037 -2.500 -2.087 1.00 0.00 C ATOM 104 O LEU A 7 0.965 -3.038 -1.483 1.00 0.00 O ATOM 105 CB LEU A 7 -2.155 -3.284 -1.177 1.00 0.00 C ATOM 106 CG LEU A 7 -1.610 -4.389 -0.269 1.00 0.00 C ATOM 107 CD1 LEU A 7 -2.115 -4.208 1.154 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.003 -5.759 -0.806 1.00 0.00 C ATOM 0 H LEU A 7 -2.906 -1.218 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.945 -1.691 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.107 -2.939 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.361 -3.710 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.522 -4.322 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.717 -5.003 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.786 -3.242 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.204 -4.250 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.608 -6.534 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.090 -5.836 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.593 -5.888 -1.808 1.00 0.00 H new ATOM 120 N VAL A 8 0.071 -2.252 -3.389 1.00 0.00 N ATOM 121 CA VAL A 8 1.225 -2.607 -4.205 1.00 0.00 C ATOM 122 C VAL A 8 2.263 -1.503 -4.172 1.00 0.00 C ATOM 123 O VAL A 8 3.326 -1.637 -3.561 1.00 0.00 O ATOM 124 CB VAL A 8 0.823 -2.888 -5.666 1.00 0.00 C ATOM 125 CG1 VAL A 8 2.013 -3.404 -6.458 1.00 0.00 C ATOM 126 CG2 VAL A 8 -0.330 -3.879 -5.719 1.00 0.00 C ATOM 0 H VAL A 8 -0.688 -1.806 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 8 1.649 -3.518 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 8 0.492 -1.953 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.709 -3.597 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.808 -2.658 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.377 -4.328 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.601 -4.066 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.028 -4.815 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.188 -3.467 -5.188 1.00 0.00 H new ATOM 136 N CYS A 9 1.942 -0.397 -4.816 1.00 0.00 N ATOM 137 CA CYS A 9 2.843 0.743 -4.839 1.00 0.00 C ATOM 138 C CYS A 9 3.233 1.102 -3.422 1.00 0.00 C ATOM 139 O CYS A 9 4.400 1.403 -3.137 1.00 0.00 O ATOM 140 CB CYS A 9 2.197 1.938 -5.541 1.00 0.00 C ATOM 141 SG CYS A 9 2.632 2.090 -7.290 1.00 0.00 S ATOM 0 H CYS A 9 1.070 -0.262 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 9 3.738 0.476 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.114 1.855 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.490 2.852 -5.024 1.00 0.00 H new ATOM 0 HG CYS A 9 2.036 3.128 -7.797 1.00 0.00 H new ATOM 147 N ARG A 10 2.279 1.022 -2.501 1.00 0.00 N ATOM 148 CA ARG A 10 2.630 1.304 -1.138 1.00 0.00 C ATOM 149 C ARG A 10 3.597 0.259 -0.674 1.00 0.00 C ATOM 150 O ARG A 10 4.595 0.599 -0.118 1.00 0.00 O ATOM 151 CB ARG A 10 1.464 1.380 -0.170 1.00 0.00 C ATOM 152 CG ARG A 10 1.941 1.741 1.235 1.00 0.00 C ATOM 153 CD ARG A 10 1.435 0.746 2.268 1.00 0.00 C ATOM 154 NE ARG A 10 -0.015 0.815 2.427 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.665 0.387 3.507 1.00 0.00 C ATOM 156 NH1 ARG A 10 0.000 -0.144 4.526 1.00 0.00 N ATOM 157 NH2 ARG A 10 -1.985 0.490 3.569 1.00 0.00 N ATOM 0 H ARG A 10 1.304 0.775 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 10 3.065 2.304 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.747 2.124 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.944 0.423 -0.146 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.031 1.766 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.594 2.742 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.720 -0.263 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.915 0.943 3.227 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.562 1.215 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.016 -0.226 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.505 -0.470 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.502 0.897 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.484 0.162 4.396 1.00 0.00 H new ATOM 171 N LEU A 11 3.320 -1.009 -0.968 1.00 0.00 N ATOM 172 CA LEU A 11 4.211 -2.106 -0.613 1.00 0.00 C ATOM 173 C LEU A 11 5.611 -1.574 -0.618 1.00 0.00 C ATOM 174 O LEU A 11 6.395 -1.781 0.321 1.00 0.00 O ATOM 175 CB LEU A 11 4.078 -3.270 -1.597 1.00 0.00 C ATOM 176 CG LEU A 11 4.284 -4.658 -0.987 1.00 0.00 C ATOM 177 CD1 LEU A 11 5.727 -4.836 -0.542 1.00 0.00 C ATOM 178 CD2 LEU A 11 3.335 -4.868 0.184 1.00 0.00 C ATOM 0 H LEU A 11 2.474 -1.302 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 11 3.949 -2.491 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.087 -3.232 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.801 -3.132 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 11 4.065 -5.406 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.855 -5.829 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.389 -4.725 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.973 -4.081 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.493 -5.860 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.526 -4.113 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.305 -4.782 -0.162 1.00 0.00 H new ATOM 190 N VAL A 12 5.885 -0.781 -1.644 1.00 0.00 N ATOM 191 CA VAL A 12 7.155 -0.129 -1.712 1.00 0.00 C ATOM 192 C VAL A 12 7.284 0.722 -0.472 1.00 0.00 C ATOM 193 O VAL A 12 8.280 0.663 0.248 1.00 0.00 O ATOM 194 CB VAL A 12 7.325 0.728 -2.982 1.00 0.00 C ATOM 195 CG1 VAL A 12 8.744 1.266 -3.076 1.00 0.00 C ATOM 196 CG2 VAL A 12 6.970 -0.078 -4.222 1.00 0.00 C ATOM 0 H VAL A 12 5.251 -0.585 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 12 7.941 -0.882 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 12 6.642 1.576 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.846 1.869 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.958 1.882 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.447 0.434 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.096 0.544 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.625 -0.946 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.934 -0.410 -4.156 1.00 0.00 H new ATOM 206 N LEU A 13 6.220 1.464 -0.195 1.00 0.00 N ATOM 207 CA LEU A 13 6.174 2.272 1.008 1.00 0.00 C ATOM 208 C LEU A 13 5.597 1.502 2.198 1.00 0.00 C ATOM 209 O LEU A 13 5.551 2.033 3.307 1.00 0.00 O ATOM 210 CB LEU A 13 5.462 3.604 0.823 1.00 0.00 C ATOM 211 CG LEU A 13 5.282 4.066 -0.624 1.00 0.00 C ATOM 212 CD1 LEU A 13 4.344 5.261 -0.689 1.00 0.00 C ATOM 213 CD2 LEU A 13 6.628 4.408 -1.244 1.00 0.00 C ATOM 0 H LEU A 13 5.388 1.521 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 13 7.215 2.509 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.479 3.537 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.018 4.370 1.363 1.00 0.00 H new ATOM 0 HG LEU A 13 4.838 3.250 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.228 5.576 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.371 4.983 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.760 6.082 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.482 4.735 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.099 5.208 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.269 3.527 -1.231 1.00 0.00 H new ATOM 225 N ARG A 14 5.230 0.225 2.003 1.00 0.00 N ATOM 226 CA ARG A 14 4.765 -0.579 3.110 1.00 0.00 C ATOM 227 C ARG A 14 5.913 -0.520 4.093 1.00 0.00 C ATOM 228 O ARG A 14 5.750 -0.396 5.307 1.00 0.00 O ATOM 229 CB ARG A 14 4.478 -2.025 2.691 1.00 0.00 C ATOM 230 CG ARG A 14 4.421 -3.003 3.855 1.00 0.00 C ATOM 231 CD ARG A 14 5.804 -3.516 4.222 1.00 0.00 C ATOM 232 NE ARG A 14 5.939 -4.951 3.976 1.00 0.00 N ATOM 233 CZ ARG A 14 5.492 -5.890 4.807 1.00 0.00 C ATOM 234 NH1 ARG A 14 4.882 -5.552 5.937 1.00 0.00 N ATOM 235 NH2 ARG A 14 5.656 -7.172 4.507 1.00 0.00 N ATOM 0 H ARG A 14 5.250 -0.252 1.102 1.00 0.00 H new ATOM 0 HA ARG A 14 3.824 -0.212 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.529 -2.057 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.249 -2.351 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.972 -2.515 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.778 -3.843 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.555 -2.977 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.000 -3.308 5.274 1.00 0.00 H new ATOM 0 HE ARG A 14 6.403 -5.250 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.754 -4.568 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.542 -6.276 6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.124 -7.437 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.314 -7.892 5.143 1.00 0.00 H new ATOM 249 N CYS A 15 7.096 -0.523 3.472 1.00 0.00 N ATOM 250 CA CYS A 15 8.363 -0.381 4.154 1.00 0.00 C ATOM 251 C CYS A 15 8.652 1.101 4.301 1.00 0.00 C ATOM 252 O CYS A 15 9.126 1.570 5.336 1.00 0.00 O ATOM 253 CB CYS A 15 9.462 -1.025 3.314 1.00 0.00 C ATOM 254 SG CYS A 15 10.510 -2.191 4.215 1.00 0.00 S ATOM 0 H CYS A 15 7.190 -0.627 2.462 1.00 0.00 H new ATOM 0 HA CYS A 15 8.327 -0.863 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.002 -1.544 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.091 -0.238 2.897 1.00 0.00 H new ATOM 0 HG CYS A 15 11.406 -2.680 3.410 1.00 0.00 H new ATOM 260 N SER A 16 8.352 1.824 3.225 1.00 0.00 N ATOM 261 CA SER A 16 8.562 3.262 3.174 1.00 0.00 C ATOM 262 C SER A 16 7.352 4.029 3.703 1.00 0.00 C ATOM 263 O SER A 16 7.016 5.082 3.121 1.00 0.00 O ATOM 264 CB SER A 16 8.909 3.718 1.753 1.00 0.00 C ATOM 265 OG SER A 16 10.036 4.576 1.755 1.00 0.00 O ATOM 266 OXT SER A 16 6.759 3.576 4.705 1.00 0.00 O ATOM 0 H SER A 16 7.959 1.429 2.370 1.00 0.00 H new ATOM 0 HA SER A 16 9.408 3.487 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.111 2.848 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.055 4.235 1.315 1.00 0.00 H new ATOM 0 HG SER A 16 10.239 4.852 0.837 1.00 0.00 H new TER 272 SER A 16