USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 140 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 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.192) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= -1.49 (180deg=-1.52) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 11 -5.381 -8.899 -0.206 1.00 0.00 N ATOM 2 CA CYS A 11 -4.910 -7.590 0.295 1.00 0.00 C ATOM 3 C CYS A 11 -3.976 -7.811 1.514 1.00 0.00 C ATOM 4 O CYS A 11 -4.431 -8.222 2.588 1.00 0.00 O ATOM 5 CB CYS A 11 -6.119 -6.694 0.629 1.00 0.00 C ATOM 6 SG CYS A 11 -7.108 -6.356 -0.867 1.00 0.00 S ATOM 0 HA CYS A 11 -4.331 -7.074 -0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.742 -7.181 1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.773 -5.755 1.062 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.120 -5.602 -0.557 1.00 0.00 H new ATOM 14 N ARG A 12 -2.661 -7.568 1.325 1.00 0.00 N ATOM 15 CA ARG A 12 -1.620 -7.927 2.326 1.00 0.00 C ATOM 16 C ARG A 12 -0.404 -6.952 2.336 1.00 0.00 C ATOM 17 O ARG A 12 -0.566 -5.743 2.502 1.00 0.00 O ATOM 18 CB ARG A 12 -1.335 -9.484 2.390 1.00 0.00 C ATOM 19 CG ARG A 12 -1.152 -10.294 1.076 1.00 0.00 C ATOM 20 CD ARG A 12 0.058 -9.913 0.203 1.00 0.00 C ATOM 21 NE ARG A 12 0.120 -10.727 -1.036 1.00 0.00 N ATOM 22 CZ ARG A 12 1.014 -10.533 -2.029 1.00 0.00 C ATOM 23 NH1 ARG A 12 1.955 -9.591 -2.008 1.00 0.00 N ATOM 24 NH2 ARG A 12 0.952 -11.324 -3.083 1.00 0.00 N ATOM 0 H ARG A 12 -2.289 -7.123 0.486 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.033 -7.743 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.433 -9.625 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.156 -9.942 2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.069 -11.350 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.055 -10.182 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.000 -8.856 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.976 -10.050 0.774 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.557 -11.482 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.030 -8.963 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.601 -9.497 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.243 -12.056 -3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.613 -11.204 -3.851 1.00 0.00 H new ATOM 38 N ALA A 13 0.800 -7.516 2.237 1.00 0.00 N ATOM 39 CA ALA A 13 2.097 -6.843 2.432 1.00 0.00 C ATOM 40 C ALA A 13 2.503 -5.715 1.453 1.00 0.00 C ATOM 41 O ALA A 13 2.761 -4.578 1.858 1.00 0.00 O ATOM 42 CB ALA A 13 3.067 -8.028 2.218 1.00 0.00 C ATOM 0 H ALA A 13 0.909 -8.504 2.007 1.00 0.00 H new ATOM 0 HA ALA A 13 2.087 -6.320 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.094 -7.682 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.861 -8.804 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.930 -8.434 1.216 1.00 0.00 H new ATOM 48 N LEU A 14 2.556 -6.086 0.165 1.00 0.00 N ATOM 49 CA LEU A 14 2.914 -5.178 -0.943 1.00 0.00 C ATOM 50 C LEU A 14 1.819 -4.139 -1.246 1.00 0.00 C ATOM 51 O LEU A 14 2.145 -2.982 -1.486 1.00 0.00 O ATOM 52 CB LEU A 14 3.295 -6.069 -2.173 1.00 0.00 C ATOM 53 CG LEU A 14 4.213 -5.448 -3.258 1.00 0.00 C ATOM 54 CD1 LEU A 14 3.484 -4.534 -4.262 1.00 0.00 C ATOM 55 CD2 LEU A 14 5.411 -4.745 -2.603 1.00 0.00 C ATOM 0 H LEU A 14 2.349 -7.036 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 14 3.770 -4.564 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.782 -6.969 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.371 -6.385 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 14 4.577 -6.278 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.200 -4.143 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.717 -5.106 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.018 -3.706 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.047 -4.314 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.053 -3.954 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.985 -5.468 -2.023 1.00 0.00 H new ATOM 67 N ILE A 15 0.557 -4.581 -1.142 1.00 0.00 N ATOM 68 CA ILE A 15 -0.658 -3.760 -1.020 1.00 0.00 C ATOM 69 C ILE A 15 -0.547 -2.655 0.096 1.00 0.00 C ATOM 70 O ILE A 15 -0.797 -1.496 -0.205 1.00 0.00 O ATOM 71 CB ILE A 15 -1.836 -4.793 -0.846 1.00 0.00 C ATOM 72 CG1 ILE A 15 -1.974 -5.801 -2.054 1.00 0.00 C ATOM 73 CG2 ILE A 15 -3.196 -4.067 -0.648 1.00 0.00 C ATOM 74 CD1 ILE A 15 -1.264 -7.159 -1.864 1.00 0.00 C ATOM 0 H ILE A 15 0.344 -5.579 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.837 -3.147 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.580 -5.369 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.033 -5.985 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.577 -5.325 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.989 -4.806 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.148 -3.441 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.406 -3.444 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.419 -7.777 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.196 -6.994 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.675 -7.665 -0.990 1.00 0.00 H new ATOM 86 N LYS A 16 -0.193 -2.989 1.346 1.00 0.00 N ATOM 87 CA LYS A 16 -0.027 -1.996 2.456 1.00 0.00 C ATOM 88 C LYS A 16 1.228 -1.082 2.413 1.00 0.00 C ATOM 89 O LYS A 16 1.121 0.060 2.860 1.00 0.00 O ATOM 90 CB LYS A 16 -0.322 -2.697 3.806 1.00 0.00 C ATOM 91 CG LYS A 16 -1.825 -2.898 4.173 1.00 0.00 C ATOM 92 CD LYS A 16 -2.880 -3.003 3.032 1.00 0.00 C ATOM 93 CE LYS A 16 -4.303 -3.250 3.565 1.00 0.00 C ATOM 94 NZ LYS A 16 -5.293 -3.271 2.474 1.00 0.00 N ATOM 0 H LYS A 16 -0.010 -3.951 1.632 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.776 -1.218 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.160 -3.675 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.149 -2.118 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.898 -3.806 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.119 -2.068 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.869 -2.084 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.602 -3.814 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.332 -4.198 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.565 -2.470 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.188 -3.668 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.455 -2.302 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.936 -3.858 1.693 1.00 0.00 H new ATOM 108 N ARG A 17 2.384 -1.530 1.889 1.00 0.00 N ATOM 109 CA ARG A 17 3.490 -0.608 1.476 1.00 0.00 C ATOM 110 C ARG A 17 3.114 0.344 0.271 1.00 0.00 C ATOM 111 O ARG A 17 3.400 1.548 0.328 1.00 0.00 O ATOM 112 CB ARG A 17 4.747 -1.487 1.239 1.00 0.00 C ATOM 113 CG ARG A 17 6.099 -0.764 1.041 1.00 0.00 C ATOM 114 CD ARG A 17 6.327 -0.270 -0.398 1.00 0.00 C ATOM 115 NE ARG A 17 7.673 0.336 -0.567 1.00 0.00 N ATOM 116 CZ ARG A 17 8.049 1.071 -1.634 1.00 0.00 C ATOM 117 NH1 ARG A 17 7.257 1.334 -2.673 1.00 0.00 N ATOM 118 NH2 ARG A 17 9.274 1.560 -1.650 1.00 0.00 N ATOM 0 H ARG A 17 2.588 -2.518 1.737 1.00 0.00 H new ATOM 0 HA ARG A 17 3.696 0.111 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.849 -2.163 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.564 -2.104 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.150 0.087 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.908 -1.441 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.214 -1.104 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.563 0.464 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 17 8.359 0.186 0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.304 0.972 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.604 1.897 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.906 1.378 -0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.589 2.120 -2.442 1.00 0.00 H new ATOM 132 N ILE A 18 2.449 -0.154 -0.803 1.00 0.00 N ATOM 133 CA ILE A 18 1.845 0.738 -1.847 1.00 0.00 C ATOM 134 C ILE A 18 0.796 1.718 -1.246 1.00 0.00 C ATOM 135 O ILE A 18 0.969 2.898 -1.510 1.00 0.00 O ATOM 136 CB ILE A 18 1.423 0.083 -3.214 1.00 0.00 C ATOM 137 CG1 ILE A 18 0.339 -1.018 -3.125 1.00 0.00 C ATOM 138 CG2 ILE A 18 2.669 -0.438 -3.979 1.00 0.00 C ATOM 139 CD1 ILE A 18 -1.149 -0.581 -3.151 1.00 0.00 C ATOM 0 H ILE A 18 2.314 -1.150 -0.975 1.00 0.00 H new ATOM 0 HA ILE A 18 2.692 1.336 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 18 0.948 0.892 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.498 -1.710 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.506 -1.577 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.356 -0.887 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.346 0.392 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.182 -1.185 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.788 -1.461 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.349 0.080 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.357 -0.055 -4.082 1.00 0.00 H new ATOM 151 N GLN A 19 -0.176 1.327 -0.381 1.00 0.00 N ATOM 152 CA GLN A 19 -1.046 2.315 0.344 1.00 0.00 C ATOM 153 C GLN A 19 -0.308 3.267 1.337 1.00 0.00 C ATOM 154 O GLN A 19 -0.689 4.429 1.477 1.00 0.00 O ATOM 155 CB GLN A 19 -2.311 1.780 1.064 1.00 0.00 C ATOM 156 CG GLN A 19 -3.128 0.662 0.392 1.00 0.00 C ATOM 157 CD GLN A 19 -4.535 0.485 0.985 1.00 0.00 C ATOM 158 OE1 GLN A 19 -4.701 0.041 2.120 1.00 0.00 O ATOM 159 NE2 GLN A 19 -5.572 0.815 0.232 1.00 0.00 N ATOM 0 H GLN A 19 -0.382 0.352 -0.165 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.380 2.871 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.005 1.420 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.980 2.625 1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.216 0.878 -0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.584 -0.278 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.423 1.182 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.520 0.702 0.592 1.00 0.00 H new ATOM 168 N ALA A 20 0.775 2.815 1.991 1.00 0.00 N ATOM 169 CA ALA A 20 1.747 3.727 2.667 1.00 0.00 C ATOM 170 C ALA A 20 2.198 4.948 1.772 1.00 0.00 C ATOM 171 O ALA A 20 2.128 6.088 2.233 1.00 0.00 O ATOM 172 CB ALA A 20 2.943 2.885 3.172 1.00 0.00 C ATOM 0 H ALA A 20 1.010 1.826 2.073 1.00 0.00 H new ATOM 0 HA ALA A 20 1.247 4.194 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.663 3.536 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.587 2.134 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.423 2.391 2.327 1.00 0.00 H new ATOM 178 N MET A 21 2.561 4.711 0.494 1.00 0.00 N ATOM 179 CA MET A 21 2.612 5.779 -0.562 1.00 0.00 C ATOM 180 C MET A 21 1.273 6.352 -1.228 1.00 0.00 C ATOM 181 O MET A 21 1.229 7.549 -1.522 1.00 0.00 O ATOM 182 CB MET A 21 3.571 5.298 -1.694 1.00 0.00 C ATOM 183 CG MET A 21 5.041 5.038 -1.293 1.00 0.00 C ATOM 184 SD MET A 21 5.797 6.510 -0.561 1.00 0.00 S ATOM 185 CE MET A 21 6.175 7.508 -2.017 1.00 0.00 C ATOM 0 H MET A 21 2.827 3.787 0.153 1.00 0.00 H new ATOM 0 HA MET A 21 2.946 6.644 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.165 4.378 -2.116 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.562 6.044 -2.488 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.085 4.213 -0.582 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.611 4.733 -2.171 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.644 8.442 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.856 6.959 -2.668 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.254 7.727 -2.557 1.00 0.00 H new ATOM 195 N ILE A 22 0.222 5.529 -1.483 1.00 0.00 N ATOM 196 CA ILE A 22 -0.992 5.898 -2.306 1.00 0.00 C ATOM 197 C ILE A 22 -2.029 6.933 -1.733 1.00 0.00 C ATOM 198 O ILE A 22 -2.123 8.022 -2.314 1.00 0.00 O ATOM 199 CB ILE A 22 -1.442 4.578 -3.118 1.00 0.00 C ATOM 200 CG1 ILE A 22 -0.658 4.389 -4.468 1.00 0.00 C ATOM 201 CG2 ILE A 22 -2.925 4.361 -3.510 1.00 0.00 C ATOM 202 CD1 ILE A 22 0.832 4.067 -4.378 1.00 0.00 C ATOM 0 H ILE A 22 0.180 4.575 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.741 6.647 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.210 3.858 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.142 3.589 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.770 5.302 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.025 3.419 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.539 4.331 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.256 5.181 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.243 3.964 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.348 4.873 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.970 3.134 -3.832 1.00 0.00 H new ATOM 214 N PRO A 23 -2.720 6.727 -0.588 1.00 0.00 N ATOM 215 CA PRO A 23 -3.656 7.727 0.006 1.00 0.00 C ATOM 216 C PRO A 23 -3.342 8.296 1.420 1.00 0.00 C ATOM 217 O PRO A 23 -3.984 9.270 1.826 1.00 0.00 O ATOM 218 CB PRO A 23 -4.988 6.963 -0.107 1.00 0.00 C ATOM 219 CG PRO A 23 -4.651 5.465 -0.107 1.00 0.00 C ATOM 220 CD PRO A 23 -3.126 5.394 -0.169 1.00 0.00 C ATOM 0 HA PRO A 23 -3.613 8.683 -0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.645 7.210 0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.514 7.239 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.031 4.976 0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.103 4.960 -0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.700 5.135 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.792 4.636 -0.877 1.00 0.00 H new ATOM 228 N LYS A 24 -2.366 7.720 2.137 1.00 0.00 N ATOM 229 CA LYS A 24 -1.962 8.182 3.489 1.00 0.00 C ATOM 230 C LYS A 24 -0.423 8.428 3.476 1.00 0.00 C ATOM 231 O LYS A 24 0.364 7.564 3.877 1.00 0.00 O ATOM 232 CB LYS A 24 -2.405 7.095 4.500 1.00 0.00 C ATOM 233 CG LYS A 24 -3.927 7.017 4.795 1.00 0.00 C ATOM 234 CD LYS A 24 -4.447 5.603 5.148 1.00 0.00 C ATOM 235 CE LYS A 24 -4.774 4.690 3.943 1.00 0.00 C ATOM 236 NZ LYS A 24 -3.588 4.204 3.212 1.00 0.00 N ATOM 0 H LYS A 24 -1.829 6.920 1.803 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.433 9.120 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.078 6.125 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.882 7.267 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.158 7.690 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.471 7.382 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.700 5.105 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.346 5.707 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.346 3.832 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.415 5.237 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.889 3.573 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.070 5.013 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.968 3.682 3.864 1.00 0.00 H new ATOM 250 N GLY A 25 -0.013 9.620 2.994 1.00 0.00 N ATOM 251 CA GLY A 25 1.415 9.979 2.840 1.00 0.00 C ATOM 252 C GLY A 25 1.987 9.578 1.472 1.00 0.00 C ATOM 253 O GLY A 25 1.476 10.048 0.431 1.00 0.00 O ATOM 254 OXT GLY A 25 2.966 8.802 1.435 1.00 0.00 O ATOM 0 H GLY A 25 -0.656 10.356 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.531 11.054 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.993 9.494 3.626 1.00 0.00 H new TER 258 GLY A 25