USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=5 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+ 161:sc= 0 (180deg=-0.319) USER MOD Single : A 3 MET CE :methyl -114:sc= -0.165 (180deg=-1.56) USER MOD Single : A 6 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.513 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.642 0.781 -2.268 1.00 0.00 N ATOM 2 CA GLY A 1 -10.173 0.547 -2.211 1.00 0.00 C ATOM 3 C GLY A 1 -9.651 0.488 -0.789 1.00 0.00 C ATOM 4 O GLY A 1 -10.032 -0.390 -0.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.902 1.130 -3.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.143 -0.110 -2.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.909 1.487 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.937 -0.387 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.660 1.343 -2.751 1.00 0.00 H new ATOM 10 N ARG A 2 -8.772 1.425 -0.444 1.00 0.00 N ATOM 11 CA ARG A 2 -8.196 1.474 0.894 1.00 0.00 C ATOM 12 C ARG A 2 -7.409 0.203 1.192 1.00 0.00 C ATOM 13 O ARG A 2 -7.984 -0.827 1.541 1.00 0.00 O ATOM 14 CB ARG A 2 -9.294 1.663 1.942 1.00 0.00 C ATOM 15 CG ARG A 2 -9.993 3.010 1.857 1.00 0.00 C ATOM 16 CD ARG A 2 -11.023 3.031 0.740 1.00 0.00 C ATOM 17 NE ARG A 2 -10.494 3.634 -0.482 1.00 0.00 N ATOM 18 CZ ARG A 2 -11.255 4.105 -1.466 1.00 0.00 C ATOM 19 NH1 ARG A 2 -12.578 4.050 -1.378 1.00 0.00 N ATOM 20 NH2 ARG A 2 -10.690 4.634 -2.544 1.00 0.00 N ATOM 0 H ARG A 2 -8.444 2.159 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.514 2.324 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.034 0.871 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.859 1.551 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.480 3.229 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.255 3.794 1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.350 2.013 0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.902 3.587 1.068 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.481 3.697 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.018 3.645 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.155 4.413 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.674 4.679 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.272 4.996 -3.299 1.00 0.00 H new ATOM 34 N MET A 3 -6.089 0.282 1.053 1.00 0.00 N ATOM 35 CA MET A 3 -5.225 -0.864 1.308 1.00 0.00 C ATOM 36 C MET A 3 -5.550 -2.009 0.353 1.00 0.00 C ATOM 37 O MET A 3 -5.893 -3.113 0.779 1.00 0.00 O ATOM 38 CB MET A 3 -5.375 -1.327 2.759 1.00 0.00 C ATOM 39 CG MET A 3 -4.270 -2.266 3.216 1.00 0.00 C ATOM 40 SD MET A 3 -2.639 -1.501 3.159 1.00 0.00 S ATOM 41 CE MET A 3 -2.798 -0.266 4.447 1.00 0.00 C ATOM 0 H MET A 3 -5.595 1.127 0.765 1.00 0.00 H new ATOM 0 HA MET A 3 -4.192 -0.559 1.140 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.390 -0.453 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.336 -1.828 2.874 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.477 -2.595 4.234 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.272 -3.156 2.587 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.751 0.729 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.754 -0.392 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.986 -0.383 5.165 1.00 0.00 H new ATOM 51 N LEU A 4 -5.437 -1.738 -0.942 1.00 0.00 N ATOM 52 CA LEU A 4 -5.713 -2.742 -1.964 1.00 0.00 C ATOM 53 C LEU A 4 -5.231 -2.282 -3.326 1.00 0.00 C ATOM 54 O LEU A 4 -4.444 -2.958 -3.986 1.00 0.00 O ATOM 55 CB LEU A 4 -7.210 -3.073 -2.011 1.00 0.00 C ATOM 56 CG LEU A 4 -7.549 -4.562 -1.937 1.00 0.00 C ATOM 57 CD1 LEU A 4 -6.822 -5.333 -3.029 1.00 0.00 C ATOM 58 CD2 LEU A 4 -7.200 -5.119 -0.566 1.00 0.00 C ATOM 0 H LEU A 4 -5.156 -0.829 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.166 -3.647 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.705 -2.562 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.627 -2.667 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.621 -4.678 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.077 -6.391 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.122 -4.951 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.746 -5.210 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.448 -6.180 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.134 -4.989 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.768 -4.588 0.198 1.00 0.00 H new ATOM 70 N PRO A 5 -5.711 -1.125 -3.760 1.00 0.00 N ATOM 71 CA PRO A 5 -5.367 -0.532 -5.045 1.00 0.00 C ATOM 72 C PRO A 5 -4.053 0.233 -4.955 1.00 0.00 C ATOM 73 O PRO A 5 -3.459 0.607 -5.966 1.00 0.00 O ATOM 74 CB PRO A 5 -6.566 0.406 -5.300 1.00 0.00 C ATOM 75 CG PRO A 5 -7.523 0.097 -4.186 1.00 0.00 C ATOM 76 CD PRO A 5 -6.651 -0.277 -3.051 1.00 0.00 C ATOM 0 HA PRO A 5 -5.212 -1.256 -5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.262 1.453 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.017 0.219 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.144 0.960 -3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.198 -0.716 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.173 0.585 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.187 -0.808 -2.265 1.00 0.00 H new ATOM 84 N GLN A 6 -3.600 0.434 -3.720 1.00 0.00 N ATOM 85 CA GLN A 6 -2.348 1.122 -3.453 1.00 0.00 C ATOM 86 C GLN A 6 -1.427 0.249 -2.597 1.00 0.00 C ATOM 87 O GLN A 6 -0.313 0.649 -2.275 1.00 0.00 O ATOM 88 CB GLN A 6 -2.614 2.450 -2.739 1.00 0.00 C ATOM 89 CG GLN A 6 -1.413 3.384 -2.714 1.00 0.00 C ATOM 90 CD GLN A 6 -1.542 4.472 -1.666 1.00 0.00 C ATOM 91 OE1 GLN A 6 -1.550 5.660 -1.986 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.642 4.070 -0.405 1.00 0.00 N ATOM 0 H GLN A 6 -4.091 0.124 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.857 1.322 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.446 2.956 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.925 2.245 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.510 2.804 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.294 3.843 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.631 3.074 -0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.730 4.757 0.344 1.00 0.00 H new ATOM 101 N LEU A 7 -1.898 -0.946 -2.226 1.00 0.00 N ATOM 102 CA LEU A 7 -1.104 -1.854 -1.406 1.00 0.00 C ATOM 103 C LEU A 7 0.197 -2.230 -2.107 1.00 0.00 C ATOM 104 O LEU A 7 1.235 -2.410 -1.469 1.00 0.00 O ATOM 105 CB LEU A 7 -1.906 -3.116 -1.082 1.00 0.00 C ATOM 106 CG LEU A 7 -1.148 -4.178 -0.281 1.00 0.00 C ATOM 107 CD1 LEU A 7 -1.902 -4.533 0.992 1.00 0.00 C ATOM 108 CD2 LEU A 7 -0.916 -5.422 -1.126 1.00 0.00 C ATOM 0 H LEU A 7 -2.820 -1.301 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.857 -1.339 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.797 -2.829 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.246 -3.562 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.179 -3.765 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.345 -5.289 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.015 -3.641 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.887 -4.923 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.376 -6.165 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.876 -5.834 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.330 -5.159 -2.007 1.00 0.00 H new ATOM 120 N VAL A 8 0.130 -2.331 -3.424 1.00 0.00 N ATOM 121 CA VAL A 8 1.293 -2.675 -4.227 1.00 0.00 C ATOM 122 C VAL A 8 2.307 -1.554 -4.186 1.00 0.00 C ATOM 123 O VAL A 8 3.399 -1.687 -3.620 1.00 0.00 O ATOM 124 CB VAL A 8 0.904 -2.955 -5.691 1.00 0.00 C ATOM 125 CG1 VAL A 8 2.109 -3.437 -6.486 1.00 0.00 C ATOM 126 CG2 VAL A 8 -0.229 -3.968 -5.758 1.00 0.00 C ATOM 0 H VAL A 8 -0.723 -2.179 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 8 1.727 -3.581 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 8 0.556 -2.024 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.812 -3.629 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.886 -2.673 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.494 -4.355 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.490 -4.153 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.089 -4.901 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.099 -3.577 -5.230 1.00 0.00 H new ATOM 136 N CYS A 9 1.925 -0.432 -4.759 1.00 0.00 N ATOM 137 CA CYS A 9 2.786 0.733 -4.760 1.00 0.00 C ATOM 138 C CYS A 9 3.100 1.113 -3.330 1.00 0.00 C ATOM 139 O CYS A 9 4.191 1.596 -3.035 1.00 0.00 O ATOM 140 CB CYS A 9 2.133 1.901 -5.504 1.00 0.00 C ATOM 141 SG CYS A 9 3.234 2.742 -6.666 1.00 0.00 S ATOM 0 H CYS A 9 1.029 -0.301 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 9 3.712 0.494 -5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.263 1.531 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.770 2.625 -4.775 1.00 0.00 H new ATOM 0 HG CYS A 9 2.592 3.712 -7.247 1.00 0.00 H new ATOM 147 N ARG A 10 2.161 0.841 -2.423 1.00 0.00 N ATOM 148 CA ARG A 10 2.410 1.119 -1.024 1.00 0.00 C ATOM 149 C ARG A 10 3.097 -0.049 -0.358 1.00 0.00 C ATOM 150 O ARG A 10 3.362 -0.008 0.820 1.00 0.00 O ATOM 151 CB ARG A 10 1.213 1.537 -0.211 1.00 0.00 C ATOM 152 CG ARG A 10 1.681 2.149 1.101 1.00 0.00 C ATOM 153 CD ARG A 10 0.912 1.586 2.286 1.00 0.00 C ATOM 154 NE ARG A 10 1.564 0.411 2.857 1.00 0.00 N ATOM 155 CZ ARG A 10 1.327 -0.044 4.085 1.00 0.00 C ATOM 156 NH1 ARG A 10 0.456 0.574 4.872 1.00 0.00 N ATOM 157 NH2 ARG A 10 1.961 -1.121 4.529 1.00 0.00 N ATOM 0 H ARG A 10 1.247 0.439 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 10 3.060 1.994 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.615 2.258 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.574 0.676 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.746 1.958 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.554 3.231 1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.815 2.355 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.097 1.322 1.970 1.00 0.00 H new ATOM 0 HE ARG A 10 2.240 -0.090 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.036 1.402 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.278 0.221 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.631 -1.602 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.778 -1.468 5.470 1.00 0.00 H new ATOM 171 N LEU A 11 3.405 -1.066 -1.133 1.00 0.00 N ATOM 172 CA LEU A 11 4.148 -2.203 -0.651 1.00 0.00 C ATOM 173 C LEU A 11 5.570 -1.697 -0.558 1.00 0.00 C ATOM 174 O LEU A 11 6.291 -1.917 0.422 1.00 0.00 O ATOM 175 CB LEU A 11 4.051 -3.397 -1.606 1.00 0.00 C ATOM 176 CG LEU A 11 4.143 -4.771 -0.939 1.00 0.00 C ATOM 177 CD1 LEU A 11 5.548 -5.015 -0.411 1.00 0.00 C ATOM 178 CD2 LEU A 11 3.122 -4.888 0.184 1.00 0.00 C ATOM 0 H LEU A 11 3.145 -1.125 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 11 3.764 -2.569 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.106 -3.335 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.847 -3.316 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 11 3.921 -5.532 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.594 -5.997 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.259 -4.974 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.799 -4.249 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.202 -5.872 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.314 -4.118 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.119 -4.758 -0.222 1.00 0.00 H new ATOM 190 N VAL A 12 5.927 -0.897 -1.559 1.00 0.00 N ATOM 191 CA VAL A 12 7.216 -0.244 -1.545 1.00 0.00 C ATOM 192 C VAL A 12 7.192 0.747 -0.406 1.00 0.00 C ATOM 193 O VAL A 12 8.110 0.825 0.417 1.00 0.00 O ATOM 194 CB VAL A 12 7.526 0.471 -2.871 1.00 0.00 C ATOM 195 CG1 VAL A 12 8.882 1.159 -2.811 1.00 0.00 C ATOM 196 CG2 VAL A 12 7.468 -0.511 -4.032 1.00 0.00 C ATOM 0 H VAL A 12 5.348 -0.693 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 12 8.002 -0.988 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 12 6.768 1.237 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.079 1.658 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.881 1.895 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.658 0.417 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.690 0.012 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.202 -1.302 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.471 -0.947 -4.090 1.00 0.00 H new ATOM 206 N LEU A 13 6.075 1.445 -0.307 1.00 0.00 N ATOM 207 CA LEU A 13 5.887 2.354 0.789 1.00 0.00 C ATOM 208 C LEU A 13 5.405 1.574 1.996 1.00 0.00 C ATOM 209 O LEU A 13 5.186 2.137 3.066 1.00 0.00 O ATOM 210 CB LEU A 13 4.959 3.518 0.465 1.00 0.00 C ATOM 211 CG LEU A 13 4.849 3.890 -1.015 1.00 0.00 C ATOM 212 CD1 LEU A 13 3.513 4.557 -1.301 1.00 0.00 C ATOM 213 CD2 LEU A 13 5.999 4.801 -1.419 1.00 0.00 C ATOM 0 H LEU A 13 5.299 1.396 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 13 6.849 2.817 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.962 3.277 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.300 4.394 1.016 1.00 0.00 H new ATOM 0 HG LEU A 13 4.908 2.976 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.454 4.814 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.703 3.873 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.423 5.463 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.907 5.057 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.969 5.712 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.946 4.288 -1.251 1.00 0.00 H new ATOM 225 N ARG A 14 5.273 0.252 1.836 1.00 0.00 N ATOM 226 CA ARG A 14 4.867 -0.575 2.940 1.00 0.00 C ATOM 227 C ARG A 14 5.994 -0.447 3.944 1.00 0.00 C ATOM 228 O ARG A 14 5.796 -0.300 5.151 1.00 0.00 O ATOM 229 CB ARG A 14 4.650 -2.039 2.530 1.00 0.00 C ATOM 230 CG ARG A 14 4.845 -3.058 3.649 1.00 0.00 C ATOM 231 CD ARG A 14 5.630 -4.264 3.158 1.00 0.00 C ATOM 232 NE ARG A 14 6.995 -3.910 2.774 1.00 0.00 N ATOM 233 CZ ARG A 14 7.976 -4.797 2.621 1.00 0.00 C ATOM 234 NH1 ARG A 14 7.751 -6.088 2.828 1.00 0.00 N ATOM 235 NH2 ARG A 14 9.185 -4.391 2.256 1.00 0.00 N ATOM 0 H ARG A 14 5.442 -0.246 0.962 1.00 0.00 H new ATOM 0 HA ARG A 14 3.906 -0.256 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.639 -2.144 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.336 -2.278 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.371 -2.592 4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.874 -3.380 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.659 -5.021 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.117 -4.708 2.305 1.00 0.00 H new ATOM 0 HE ARG A 14 7.209 -2.926 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.822 -6.406 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.507 -6.763 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.362 -3.400 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.937 -5.070 2.139 1.00 0.00 H new ATOM 249 N CYS A 15 7.194 -0.456 3.361 1.00 0.00 N ATOM 250 CA CYS A 15 8.442 -0.293 4.085 1.00 0.00 C ATOM 251 C CYS A 15 8.795 1.191 4.196 1.00 0.00 C ATOM 252 O CYS A 15 9.665 1.570 4.980 1.00 0.00 O ATOM 253 CB CYS A 15 9.562 -1.014 3.342 1.00 0.00 C ATOM 254 SG CYS A 15 10.362 -2.330 4.292 1.00 0.00 S ATOM 0 H CYS A 15 7.321 -0.579 2.356 1.00 0.00 H new ATOM 0 HA CYS A 15 8.327 -0.714 5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.157 -1.440 2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.316 -0.284 3.049 1.00 0.00 H new ATOM 0 HG CYS A 15 11.295 -2.879 3.572 1.00 0.00 H new ATOM 260 N SER A 16 8.129 2.017 3.374 1.00 0.00 N ATOM 261 CA SER A 16 8.375 3.465 3.334 1.00 0.00 C ATOM 262 C SER A 16 8.891 3.993 4.674 1.00 0.00 C ATOM 263 O SER A 16 8.356 3.571 5.721 1.00 0.00 O ATOM 264 CB SER A 16 7.097 4.229 2.974 1.00 0.00 C ATOM 265 OG SER A 16 7.107 5.539 3.518 1.00 0.00 O ATOM 266 OXT SER A 16 9.825 4.823 4.662 1.00 0.00 O ATOM 0 H SER A 16 7.410 1.702 2.723 1.00 0.00 H new ATOM 0 HA SER A 16 9.135 3.627 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.997 4.284 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.229 3.685 3.347 1.00 0.00 H new ATOM 0 HG SER A 16 6.280 6.002 3.270 1.00 0.00 H new TER 272 SER A 16