USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 150 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 ALA N :NH3+ -163:sc= 0.954 (180deg=0.896) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.549 4.226 -0.950 1.00 0.00 N ATOM 2 CA ALA A 1 -9.926 4.015 -1.441 1.00 0.00 C ATOM 3 C ALA A 1 -10.561 2.872 -0.643 1.00 0.00 C ATOM 4 O ALA A 1 -10.228 2.760 0.533 1.00 0.00 O ATOM 5 CB ALA A 1 -9.963 3.824 -2.963 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.208 5.157 -1.263 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.541 4.185 0.089 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.927 3.484 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.530 4.906 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.993 3.672 -3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.557 4.710 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.365 2.954 -3.235 1.00 0.00 H new ATOM 13 N VAL A 2 -11.461 2.065 -1.232 1.00 0.00 N ATOM 14 CA VAL A 2 -12.342 1.164 -0.479 1.00 0.00 C ATOM 15 C VAL A 2 -12.119 -0.317 -0.829 1.00 0.00 C ATOM 16 O VAL A 2 -12.059 -1.135 0.083 1.00 0.00 O ATOM 17 CB VAL A 2 -13.819 1.592 -0.661 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.766 0.769 0.228 1.00 0.00 C ATOM 19 CG2 VAL A 2 -14.034 3.080 -0.328 1.00 0.00 C ATOM 0 H VAL A 2 -11.596 2.021 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.085 1.253 0.577 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.048 1.414 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.792 1.100 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.682 -0.287 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.496 0.909 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.084 3.336 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.752 3.265 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.419 3.693 -0.987 1.00 0.00 H new ATOM 29 N GLY A 3 -12.049 -0.690 -2.117 1.00 0.00 N ATOM 30 CA GLY A 3 -11.748 -2.047 -2.541 1.00 0.00 C ATOM 31 C GLY A 3 -10.244 -2.278 -2.552 1.00 0.00 C ATOM 32 O GLY A 3 -9.549 -2.136 -1.551 1.00 0.00 O ATOM 0 H GLY A 3 -12.203 -0.045 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.227 -2.759 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.157 -2.223 -3.536 1.00 0.00 H new ATOM 36 N ILE A 4 -9.719 -2.527 -3.751 1.00 0.00 N ATOM 37 CA ILE A 4 -8.298 -2.825 -3.964 1.00 0.00 C ATOM 38 C ILE A 4 -7.443 -1.618 -3.545 1.00 0.00 C ATOM 39 O ILE A 4 -6.350 -1.762 -3.004 1.00 0.00 O ATOM 40 CB ILE A 4 -8.042 -3.242 -5.434 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.978 -4.374 -5.926 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.572 -3.647 -5.656 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.959 -5.659 -5.086 1.00 0.00 C ATOM 0 H ILE A 4 -10.269 -2.528 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.008 -3.670 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.267 -2.357 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.999 -3.992 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.706 -4.627 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.427 -3.934 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.923 -2.805 -5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.325 -4.489 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.648 -6.385 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.951 -6.075 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.264 -5.431 -4.065 1.00 0.00 H new ATOM 55 N GLY A 5 -7.974 -0.416 -3.758 1.00 0.00 N ATOM 56 CA GLY A 5 -7.385 0.852 -3.370 1.00 0.00 C ATOM 57 C GLY A 5 -7.412 1.112 -1.865 1.00 0.00 C ATOM 58 O GLY A 5 -6.769 2.064 -1.426 1.00 0.00 O ATOM 0 H GLY A 5 -8.871 -0.300 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.352 0.882 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.915 1.658 -3.878 1.00 0.00 H new ATOM 62 N ALA A 6 -8.192 0.365 -1.069 1.00 0.00 N ATOM 63 CA ALA A 6 -7.934 0.263 0.362 1.00 0.00 C ATOM 64 C ALA A 6 -6.644 -0.520 0.584 1.00 0.00 C ATOM 65 O ALA A 6 -5.772 -0.067 1.313 1.00 0.00 O ATOM 66 CB ALA A 6 -9.106 -0.381 1.107 1.00 0.00 C ATOM 0 H ALA A 6 -8.997 -0.170 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.821 1.268 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.874 -0.438 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.003 0.221 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.277 -1.385 0.718 1.00 0.00 H new ATOM 72 N LEU A 7 -6.506 -1.686 -0.063 1.00 0.00 N ATOM 73 CA LEU A 7 -5.378 -2.599 0.143 1.00 0.00 C ATOM 74 C LEU A 7 -4.074 -1.926 -0.260 1.00 0.00 C ATOM 75 O LEU A 7 -3.046 -2.136 0.366 1.00 0.00 O ATOM 76 CB LEU A 7 -5.516 -3.904 -0.671 1.00 0.00 C ATOM 77 CG LEU A 7 -6.936 -4.467 -0.760 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.959 -5.711 -1.656 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.529 -4.810 0.613 1.00 0.00 C ATOM 0 H LEU A 7 -7.181 -2.023 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.376 -2.849 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.149 -3.724 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.869 -4.661 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.556 -3.682 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.975 -6.101 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.618 -5.445 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.300 -6.472 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.537 -5.205 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.905 -5.558 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.566 -3.911 1.228 1.00 0.00 H new ATOM 91 N PHE A 8 -4.131 -1.111 -1.305 1.00 0.00 N ATOM 92 CA PHE A 8 -2.966 -0.532 -1.956 1.00 0.00 C ATOM 93 C PHE A 8 -2.194 0.402 -1.033 1.00 0.00 C ATOM 94 O PHE A 8 -0.982 0.291 -0.877 1.00 0.00 O ATOM 95 CB PHE A 8 -3.494 0.288 -3.123 1.00 0.00 C ATOM 96 CG PHE A 8 -2.408 0.794 -4.052 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.856 -0.066 -5.021 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.912 2.106 -3.920 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.817 0.384 -5.855 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.873 2.554 -4.754 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.325 1.694 -5.721 1.00 0.00 C ATOM 0 H PHE A 8 -5.012 -0.828 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.288 -1.330 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.195 -0.320 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.053 1.139 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.231 -1.073 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.331 2.769 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.397 -0.277 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.495 3.561 -4.652 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.474 2.039 -6.361 1.00 0.00 H new ATOM 111 N LEU A 9 -2.929 1.317 -0.400 1.00 0.00 N ATOM 112 CA LEU A 9 -2.354 2.214 0.599 1.00 0.00 C ATOM 113 C LEU A 9 -2.311 1.529 1.961 1.00 0.00 C ATOM 114 O LEU A 9 -1.557 1.942 2.837 1.00 0.00 O ATOM 115 CB LEU A 9 -3.109 3.558 0.626 1.00 0.00 C ATOM 116 CG LEU A 9 -4.561 3.522 1.158 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.653 3.736 2.677 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.388 4.624 0.482 1.00 0.00 C ATOM 0 H LEU A 9 -3.926 1.455 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.324 2.445 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.539 4.258 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.126 3.960 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.945 2.528 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.697 3.700 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.095 2.952 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.232 4.708 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.410 4.595 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.947 5.596 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.395 4.464 -0.596 1.00 0.00 H new ATOM 130 N GLY A 10 -3.148 0.503 2.132 1.00 0.00 N ATOM 131 CA GLY A 10 -3.487 -0.034 3.444 1.00 0.00 C ATOM 132 C GLY A 10 -2.727 -1.311 3.747 1.00 0.00 C ATOM 133 O GLY A 10 -1.772 -1.301 4.512 1.00 0.00 O ATOM 0 H GLY A 10 -3.609 0.023 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.266 0.710 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.558 -0.230 3.490 1.00 0.00 H new ATOM 137 N PHE A 11 -3.167 -2.418 3.152 1.00 0.00 N ATOM 138 CA PHE A 11 -2.613 -3.751 3.354 1.00 0.00 C ATOM 139 C PHE A 11 -1.157 -3.828 2.863 1.00 0.00 C ATOM 140 O PHE A 11 -0.263 -4.247 3.599 1.00 0.00 O ATOM 141 CB PHE A 11 -3.518 -4.729 2.584 1.00 0.00 C ATOM 142 CG PHE A 11 -3.140 -6.187 2.753 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.617 -6.917 3.859 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.301 -6.814 1.811 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.256 -8.266 4.022 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.940 -8.163 1.976 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.418 -8.889 3.081 1.00 0.00 C ATOM 0 H PHE A 11 -3.946 -2.409 2.494 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.589 -4.004 4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.547 -4.591 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.487 -4.477 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.261 -6.440 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.935 -6.258 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.623 -8.824 4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.295 -8.642 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.141 -9.925 3.207 1.00 0.00 H new ATOM 157 N LEU A 12 -0.915 -3.353 1.637 1.00 0.00 N ATOM 158 CA LEU A 12 0.395 -3.252 1.007 1.00 0.00 C ATOM 159 C LEU A 12 1.259 -2.242 1.766 1.00 0.00 C ATOM 160 O LEU A 12 2.412 -2.537 2.062 1.00 0.00 O ATOM 161 CB LEU A 12 0.193 -2.879 -0.475 1.00 0.00 C ATOM 162 CG LEU A 12 1.425 -2.291 -1.186 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.591 -3.287 -1.244 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.056 -1.891 -2.622 1.00 0.00 C ATOM 0 H LEU A 12 -1.665 -3.014 1.034 1.00 0.00 H new ATOM 0 HA LEU A 12 0.927 -4.203 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.125 -3.770 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.622 -2.158 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 12 1.742 -1.422 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.437 -2.827 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.885 -3.563 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.281 -4.179 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.932 -1.475 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.711 -2.770 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.263 -1.144 -2.599 1.00 0.00 H new ATOM 176 N GLY A 13 0.699 -1.083 2.126 1.00 0.00 N ATOM 177 CA GLY A 13 1.447 -0.041 2.821 1.00 0.00 C ATOM 178 C GLY A 13 1.822 -0.460 4.246 1.00 0.00 C ATOM 179 O GLY A 13 2.939 -0.184 4.678 1.00 0.00 O ATOM 0 H GLY A 13 -0.276 -0.846 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.353 0.191 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.852 0.871 2.856 1.00 0.00 H new ATOM 183 N ALA A 14 0.952 -1.192 4.955 1.00 0.00 N ATOM 184 CA ALA A 14 1.282 -1.814 6.235 1.00 0.00 C ATOM 185 C ALA A 14 2.412 -2.834 6.073 1.00 0.00 C ATOM 186 O ALA A 14 3.299 -2.895 6.920 1.00 0.00 O ATOM 187 CB ALA A 14 0.037 -2.474 6.838 1.00 0.00 C ATOM 0 H ALA A 14 -0.006 -1.368 4.651 1.00 0.00 H new ATOM 0 HA ALA A 14 1.629 -1.037 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.295 -2.934 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.734 -1.720 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.336 -3.238 6.156 1.00 0.00 H new ATOM 193 N ALA A 15 2.421 -3.594 4.970 1.00 0.00 N ATOM 194 CA ALA A 15 3.530 -4.465 4.590 1.00 0.00 C ATOM 195 C ALA A 15 4.704 -3.731 3.938 1.00 0.00 C ATOM 196 O ALA A 15 5.577 -4.370 3.349 1.00 0.00 O ATOM 197 CB ALA A 15 3.041 -5.587 3.678 1.00 0.00 C ATOM 0 H ALA A 15 1.644 -3.618 4.310 1.00 0.00 H new ATOM 0 HA ALA A 15 3.912 -4.881 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.881 -6.226 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.289 -6.179 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.603 -5.158 2.777 1.00 0.00 H new ATOM 203 N GLY A 16 4.763 -2.405 4.057 1.00 0.00 N ATOM 204 CA GLY A 16 5.818 -1.555 3.517 1.00 0.00 C ATOM 205 C GLY A 16 7.096 -1.659 4.351 1.00 0.00 C ATOM 206 O GLY A 16 7.726 -0.643 4.648 1.00 0.00 O ATOM 0 H GLY A 16 4.047 -1.874 4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.029 -1.843 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.478 -0.519 3.495 1.00 0.00 H new ATOM 210 N SER A 17 7.457 -2.885 4.745 1.00 0.00 N ATOM 211 CA SER A 17 8.559 -3.248 5.629 1.00 0.00 C ATOM 212 C SER A 17 9.929 -3.016 4.969 1.00 0.00 C ATOM 213 O SER A 17 10.679 -3.958 4.713 1.00 0.00 O ATOM 214 CB SER A 17 8.370 -4.713 6.052 1.00 0.00 C ATOM 215 OG SER A 17 7.066 -4.918 6.568 1.00 0.00 O ATOM 0 H SER A 17 6.945 -3.708 4.428 1.00 0.00 H new ATOM 0 HA SER A 17 8.545 -2.606 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.536 -5.369 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.111 -4.978 6.806 1.00 0.00 H new ATOM 0 HG SER A 17 6.962 -5.856 6.831 1.00 0.00 H new ATOM 221 N THR A 18 10.243 -1.752 4.672 1.00 0.00 N ATOM 222 CA THR A 18 11.526 -1.327 4.128 1.00 0.00 C ATOM 223 C THR A 18 12.652 -1.473 5.166 1.00 0.00 C ATOM 224 O THR A 18 12.408 -1.734 6.346 1.00 0.00 O ATOM 225 CB THR A 18 11.389 0.102 3.568 1.00 0.00 C ATOM 226 OG1 THR A 18 12.507 0.407 2.758 1.00 0.00 O ATOM 227 CG2 THR A 18 11.230 1.182 4.646 1.00 0.00 C ATOM 0 H THR A 18 9.591 -0.979 4.809 1.00 0.00 H new ATOM 0 HA THR A 18 11.812 -1.979 3.303 1.00 0.00 H new ATOM 0 HB THR A 18 10.469 0.111 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.415 1.316 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.140 2.159 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.335 0.980 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.102 1.175 5.299 1.00 0.00 H new ATOM 235 N VAL A 19 13.895 -1.320 4.699 1.00 0.00 N ATOM 236 CA VAL A 19 15.110 -1.270 5.505 1.00 0.00 C ATOM 237 C VAL A 19 14.958 -0.396 6.759 1.00 0.00 C ATOM 238 O VAL A 19 14.587 0.775 6.670 1.00 0.00 O ATOM 239 CB VAL A 19 16.336 -0.862 4.656 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.689 -1.968 3.651 1.00 0.00 C ATOM 241 CG2 VAL A 19 16.180 0.469 3.898 1.00 0.00 C ATOM 0 H VAL A 19 14.086 -1.224 3.702 1.00 0.00 H new ATOM 0 HA VAL A 19 15.286 -2.283 5.867 1.00 0.00 H new ATOM 0 HB VAL A 19 17.139 -0.717 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.554 -1.662 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.922 -2.887 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.842 -2.141 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.088 0.673 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.333 0.402 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.008 1.276 4.611 1.00 0.00 H new ATOM 251 N GLY A 20 15.322 -0.945 7.921 1.00 0.00 N ATOM 252 CA GLY A 20 15.973 -0.172 8.966 1.00 0.00 C ATOM 253 C GLY A 20 17.474 -0.384 8.793 1.00 0.00 C ATOM 254 O GLY A 20 17.882 -1.500 8.470 1.00 0.00 O ATOM 0 H GLY A 20 15.173 -1.926 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.719 0.885 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.646 -0.501 9.952 1.00 0.00 H new ATOM 258 N ALA A 21 18.300 0.636 9.060 1.00 0.00 N ATOM 259 CA ALA A 21 19.742 0.589 8.793 1.00 0.00 C ATOM 260 C ALA A 21 20.492 -0.508 9.571 1.00 0.00 C ATOM 261 O ALA A 21 21.620 -0.842 9.217 1.00 0.00 O ATOM 262 CB ALA A 21 20.357 1.962 9.083 1.00 0.00 C ATOM 0 H ALA A 21 17.986 1.517 9.467 1.00 0.00 H new ATOM 0 HA ALA A 21 19.855 0.330 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 21 21.428 1.930 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.892 2.711 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.188 2.223 10.128 1.00 0.00 H new ATOM 268 N ALA A 22 19.882 -1.079 10.619 1.00 0.00 N ATOM 269 CA ALA A 22 20.409 -2.247 11.314 1.00 0.00 C ATOM 270 C ALA A 22 20.322 -3.519 10.455 1.00 0.00 C ATOM 271 O ALA A 22 21.129 -4.427 10.641 1.00 0.00 O ATOM 272 CB ALA A 22 19.641 -2.436 12.627 1.00 0.00 C ATOM 0 H ALA A 22 19.003 -0.736 11.006 1.00 0.00 H new ATOM 0 HA ALA A 22 21.466 -2.075 11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 22 20.029 -3.308 13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 22 19.764 -1.551 13.251 1.00 0.00 H new ATOM 0 HB3 ALA A 22 18.583 -2.584 12.412 1.00 0.00 H new ATOM 278 N SER A 23 19.341 -3.609 9.548 1.00 0.00 N ATOM 279 CA SER A 23 19.205 -4.693 8.582 1.00 0.00 C ATOM 280 C SER A 23 20.156 -4.508 7.395 1.00 0.00 C ATOM 281 O SER A 23 20.744 -5.486 6.936 1.00 0.00 O ATOM 282 CB SER A 23 17.757 -4.761 8.076 1.00 0.00 C ATOM 283 OG SER A 23 16.837 -4.754 9.153 1.00 0.00 O ATOM 0 H SER A 23 18.604 -2.909 9.468 1.00 0.00 H new ATOM 0 HA SER A 23 19.465 -5.625 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.558 -3.914 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.619 -5.664 7.482 1.00 0.00 H new ATOM 0 HG SER A 23 15.923 -4.796 8.803 1.00 0.00 H new ATOM 289 N GLY A 24 20.282 -3.277 6.886 1.00 0.00 N ATOM 290 CA GLY A 24 21.024 -2.933 5.685 1.00 0.00 C ATOM 291 C GLY A 24 20.352 -1.741 5.023 1.00 0.00 C ATOM 292 O GLY A 24 19.680 -0.989 5.765 1.00 0.00 O ATOM 0 H GLY A 24 19.848 -2.465 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.058 -2.694 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.050 -3.781 5.001 1.00 0.00 H new TER 296 GLY A 24