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+ -128:sc= -0.0147 (180deg=-1.47!) USER MOD Single : A 17 SER OG : rot 77:sc= 1.24 USER MOD Single : A 18 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.627 3.998 -2.874 1.00 0.00 N ATOM 2 CA ALA A 1 -9.889 3.590 -3.523 1.00 0.00 C ATOM 3 C ALA A 1 -10.467 2.317 -2.886 1.00 0.00 C ATOM 4 O ALA A 1 -10.271 1.218 -3.397 1.00 0.00 O ATOM 5 CB ALA A 1 -9.715 3.453 -5.042 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.688 4.998 -2.594 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.465 3.411 -2.031 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.838 3.873 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.619 4.382 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.661 3.152 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.404 4.410 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.956 2.700 -5.255 1.00 0.00 H new ATOM 13 N VAL A 2 -11.189 2.523 -1.778 1.00 0.00 N ATOM 14 CA VAL A 2 -12.199 1.722 -1.065 1.00 0.00 C ATOM 15 C VAL A 2 -11.999 0.199 -1.040 1.00 0.00 C ATOM 16 O VAL A 2 -11.894 -0.373 0.039 1.00 0.00 O ATOM 17 CB VAL A 2 -13.619 2.115 -1.552 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.715 1.484 -0.678 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.833 3.642 -1.542 1.00 0.00 C ATOM 0 H VAL A 2 -11.055 3.402 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.066 1.983 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.692 1.740 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.695 1.783 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.629 0.398 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.600 1.823 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.840 3.871 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.705 4.021 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.105 4.116 -2.201 1.00 0.00 H new ATOM 29 N GLY A 3 -12.044 -0.462 -2.196 1.00 0.00 N ATOM 30 CA GLY A 3 -11.717 -1.866 -2.357 1.00 0.00 C ATOM 31 C GLY A 3 -10.213 -2.034 -2.497 1.00 0.00 C ATOM 32 O GLY A 3 -9.452 -1.842 -1.550 1.00 0.00 O ATOM 0 H GLY A 3 -12.319 -0.015 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.077 -2.433 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.220 -2.267 -3.237 1.00 0.00 H new ATOM 36 N ILE A 4 -9.783 -2.341 -3.722 1.00 0.00 N ATOM 37 CA ILE A 4 -8.399 -2.652 -4.065 1.00 0.00 C ATOM 38 C ILE A 4 -7.453 -1.541 -3.600 1.00 0.00 C ATOM 39 O ILE A 4 -6.365 -1.834 -3.105 1.00 0.00 O ATOM 40 CB ILE A 4 -8.279 -2.909 -5.587 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.262 -3.986 -6.111 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.839 -3.273 -5.991 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.168 -5.354 -5.420 1.00 0.00 C ATOM 0 H ILE A 4 -10.410 -2.381 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.101 -3.561 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.555 -1.966 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.279 -3.611 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.088 -4.124 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.795 -3.446 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.169 -2.454 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.531 -4.177 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.897 -6.035 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.165 -5.761 -5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.375 -5.239 -4.356 1.00 0.00 H new ATOM 55 N GLY A 5 -7.858 -0.269 -3.711 1.00 0.00 N ATOM 56 CA GLY A 5 -6.983 0.830 -3.341 1.00 0.00 C ATOM 57 C GLY A 5 -6.795 0.914 -1.829 1.00 0.00 C ATOM 58 O GLY A 5 -5.753 1.382 -1.377 1.00 0.00 O ATOM 0 H GLY A 5 -8.777 0.014 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.013 0.702 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.400 1.767 -3.709 1.00 0.00 H new ATOM 62 N ALA A 6 -7.793 0.478 -1.050 1.00 0.00 N ATOM 63 CA ALA A 6 -7.664 0.368 0.394 1.00 0.00 C ATOM 64 C ALA A 6 -6.683 -0.744 0.770 1.00 0.00 C ATOM 65 O ALA A 6 -5.956 -0.591 1.741 1.00 0.00 O ATOM 66 CB ALA A 6 -9.033 0.144 1.029 1.00 0.00 C ATOM 0 H ALA A 6 -8.705 0.195 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.260 1.303 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.924 0.063 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.686 0.984 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.469 -0.776 0.639 1.00 0.00 H new ATOM 72 N LEU A 7 -6.594 -1.834 -0.003 1.00 0.00 N ATOM 73 CA LEU A 7 -5.534 -2.823 0.166 1.00 0.00 C ATOM 74 C LEU A 7 -4.195 -2.196 -0.185 1.00 0.00 C ATOM 75 O LEU A 7 -3.204 -2.423 0.490 1.00 0.00 O ATOM 76 CB LEU A 7 -5.735 -4.079 -0.709 1.00 0.00 C ATOM 77 CG LEU A 7 -7.183 -4.560 -0.857 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.247 -5.763 -1.805 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.822 -4.928 0.490 1.00 0.00 C ATOM 0 H LEU A 7 -7.250 -2.049 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.562 -3.139 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.336 -3.875 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.143 -4.891 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.752 -3.729 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.281 -6.095 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.865 -5.475 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.641 -6.575 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.847 -5.262 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.249 -5.729 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.824 -4.055 1.142 1.00 0.00 H new ATOM 91 N PHE A 8 -4.168 -1.401 -1.243 1.00 0.00 N ATOM 92 CA PHE A 8 -2.926 -0.909 -1.824 1.00 0.00 C ATOM 93 C PHE A 8 -2.209 0.059 -0.894 1.00 0.00 C ATOM 94 O PHE A 8 -1.022 -0.090 -0.612 1.00 0.00 O ATOM 95 CB PHE A 8 -3.280 -0.160 -3.096 1.00 0.00 C ATOM 96 CG PHE A 8 -2.118 -0.010 -4.059 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.191 1.038 -3.897 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.935 -0.949 -5.092 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.088 1.145 -4.763 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.833 -0.840 -5.959 1.00 0.00 C ATOM 101 CZ PHE A 8 0.091 0.207 -5.794 1.00 0.00 C ATOM 0 H PHE A 8 -5.007 -1.078 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.267 -1.758 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.093 -0.682 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.652 0.830 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.327 1.761 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.643 -1.755 -5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.622 1.949 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.696 -1.561 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.938 0.290 -6.459 1.00 0.00 H new ATOM 111 N LEU A 9 -2.956 1.042 -0.388 1.00 0.00 N ATOM 112 CA LEU A 9 -2.407 1.982 0.580 1.00 0.00 C ATOM 113 C LEU A 9 -2.386 1.341 1.962 1.00 0.00 C ATOM 114 O LEU A 9 -1.628 1.776 2.826 1.00 0.00 O ATOM 115 CB LEU A 9 -3.193 3.310 0.557 1.00 0.00 C ATOM 116 CG LEU A 9 -4.626 3.259 1.144 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.673 3.635 2.633 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.551 4.224 0.387 1.00 0.00 C ATOM 0 H LEU A 9 -3.933 1.204 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.379 2.224 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.622 4.057 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.256 3.654 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.959 2.227 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.702 3.582 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.055 2.941 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.296 4.649 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.554 4.176 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.168 5.240 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.589 3.941 -0.665 1.00 0.00 H new ATOM 130 N GLY A 10 -3.250 0.341 2.168 1.00 0.00 N ATOM 131 CA GLY A 10 -3.543 -0.164 3.509 1.00 0.00 C ATOM 132 C GLY A 10 -2.825 -1.466 3.807 1.00 0.00 C ATOM 133 O GLY A 10 -1.823 -1.479 4.510 1.00 0.00 O ATOM 0 H GLY A 10 -3.758 -0.133 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.254 0.584 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.618 -0.314 3.611 1.00 0.00 H new ATOM 137 N PHE A 11 -3.362 -2.567 3.284 1.00 0.00 N ATOM 138 CA PHE A 11 -2.866 -3.923 3.490 1.00 0.00 C ATOM 139 C PHE A 11 -1.401 -4.065 3.036 1.00 0.00 C ATOM 140 O PHE A 11 -0.550 -4.535 3.789 1.00 0.00 O ATOM 141 CB PHE A 11 -3.798 -4.873 2.714 1.00 0.00 C ATOM 142 CG PHE A 11 -3.480 -6.343 2.907 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.944 -7.021 4.051 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.706 -7.032 1.953 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.635 -8.380 4.239 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.399 -8.391 2.142 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.863 -9.065 3.284 1.00 0.00 C ATOM 0 H PHE A 11 -4.185 -2.536 2.683 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.873 -4.172 4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.827 -4.690 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.739 -4.636 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.538 -6.496 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.348 -6.516 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.991 -8.898 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.806 -8.917 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.627 -10.109 3.428 1.00 0.00 H new ATOM 157 N LEU A 12 -1.103 -3.596 1.821 1.00 0.00 N ATOM 158 CA LEU A 12 0.227 -3.536 1.227 1.00 0.00 C ATOM 159 C LEU A 12 1.083 -2.500 1.961 1.00 0.00 C ATOM 160 O LEU A 12 2.227 -2.794 2.296 1.00 0.00 O ATOM 161 CB LEU A 12 0.073 -3.234 -0.277 1.00 0.00 C ATOM 162 CG LEU A 12 1.316 -2.649 -0.976 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.483 -3.645 -0.980 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.976 -2.275 -2.426 1.00 0.00 C ATOM 0 H LEU A 12 -1.822 -3.230 1.197 1.00 0.00 H new ATOM 0 HA LEU A 12 0.746 -4.489 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.206 -4.156 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.754 -2.536 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 12 1.618 -1.762 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.341 -3.198 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.752 -3.895 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.186 -4.551 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.860 -1.862 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.648 -3.164 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.178 -1.532 -2.433 1.00 0.00 H new ATOM 176 N GLY A 13 0.537 -1.316 2.258 1.00 0.00 N ATOM 177 CA GLY A 13 1.314 -0.249 2.881 1.00 0.00 C ATOM 178 C GLY A 13 1.708 -0.591 4.322 1.00 0.00 C ATOM 179 O GLY A 13 2.813 -0.253 4.744 1.00 0.00 O ATOM 0 H GLY A 13 -0.438 -1.077 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.213 -0.065 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.734 0.674 2.873 1.00 0.00 H new ATOM 183 N ALA A 14 0.870 -1.331 5.057 1.00 0.00 N ATOM 184 CA ALA A 14 1.210 -1.892 6.359 1.00 0.00 C ATOM 185 C ALA A 14 2.358 -2.903 6.246 1.00 0.00 C ATOM 186 O ALA A 14 3.207 -2.955 7.133 1.00 0.00 O ATOM 187 CB ALA A 14 -0.030 -2.545 6.979 1.00 0.00 C ATOM 0 H ALA A 14 -0.077 -1.557 4.754 1.00 0.00 H new ATOM 0 HA ALA A 14 1.549 -1.084 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.227 -2.963 7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.813 -1.796 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.388 -3.340 6.325 1.00 0.00 H new ATOM 193 N ALA A 15 2.431 -3.664 5.145 1.00 0.00 N ATOM 194 CA ALA A 15 3.572 -4.519 4.824 1.00 0.00 C ATOM 195 C ALA A 15 4.755 -3.770 4.223 1.00 0.00 C ATOM 196 O ALA A 15 5.635 -4.425 3.650 1.00 0.00 O ATOM 197 CB ALA A 15 3.183 -5.631 3.854 1.00 0.00 C ATOM 0 H ALA A 15 1.688 -3.700 4.447 1.00 0.00 H new ATOM 0 HA ALA A 15 3.879 -4.932 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.056 -6.247 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.405 -6.249 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.810 -5.192 2.928 1.00 0.00 H new ATOM 203 N GLY A 16 4.784 -2.438 4.332 1.00 0.00 N ATOM 204 CA GLY A 16 5.684 -1.529 3.633 1.00 0.00 C ATOM 205 C GLY A 16 7.073 -1.603 4.255 1.00 0.00 C ATOM 206 O GLY A 16 7.561 -0.657 4.869 1.00 0.00 O ATOM 0 H GLY A 16 4.140 -1.941 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.734 -1.792 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.303 -0.509 3.690 1.00 0.00 H new ATOM 210 N SER A 17 7.663 -2.787 4.099 1.00 0.00 N ATOM 211 CA SER A 17 8.880 -3.304 4.707 1.00 0.00 C ATOM 212 C SER A 17 10.136 -2.555 4.230 1.00 0.00 C ATOM 213 O SER A 17 11.011 -3.125 3.578 1.00 0.00 O ATOM 214 CB SER A 17 8.945 -4.812 4.413 1.00 0.00 C ATOM 215 OG SER A 17 7.774 -5.479 4.865 1.00 0.00 O ATOM 0 H SER A 17 7.252 -3.480 3.474 1.00 0.00 H new ATOM 0 HA SER A 17 8.854 -3.142 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.065 -4.971 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.821 -5.242 4.899 1.00 0.00 H new ATOM 0 HG SER A 17 7.039 -5.311 4.239 1.00 0.00 H new ATOM 221 N THR A 18 10.220 -1.264 4.554 1.00 0.00 N ATOM 222 CA THR A 18 11.357 -0.405 4.258 1.00 0.00 C ATOM 223 C THR A 18 12.577 -0.829 5.083 1.00 0.00 C ATOM 224 O THR A 18 12.454 -1.284 6.222 1.00 0.00 O ATOM 225 CB THR A 18 10.969 1.070 4.520 1.00 0.00 C ATOM 226 OG1 THR A 18 12.063 1.931 4.271 1.00 0.00 O ATOM 227 CG2 THR A 18 10.437 1.359 5.932 1.00 0.00 C ATOM 0 H THR A 18 9.472 -0.776 5.046 1.00 0.00 H new ATOM 0 HA THR A 18 11.629 -0.505 3.207 1.00 0.00 H new ATOM 0 HB THR A 18 10.150 1.259 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.730 1.825 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.192 2.418 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.542 0.764 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.199 1.101 6.668 1.00 0.00 H new ATOM 235 N VAL A 19 13.773 -0.601 4.527 1.00 0.00 N ATOM 236 CA VAL A 19 14.963 -0.263 5.305 1.00 0.00 C ATOM 237 C VAL A 19 14.642 0.781 6.389 1.00 0.00 C ATOM 238 O VAL A 19 13.769 1.636 6.195 1.00 0.00 O ATOM 239 CB VAL A 19 16.116 0.193 4.381 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.553 -0.943 3.442 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.783 1.439 3.543 1.00 0.00 C ATOM 0 H VAL A 19 13.939 -0.647 3.522 1.00 0.00 H new ATOM 0 HA VAL A 19 15.299 -1.163 5.821 1.00 0.00 H new ATOM 0 HB VAL A 19 16.931 0.462 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.365 -0.595 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.895 -1.793 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.709 -1.248 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.639 1.698 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.922 1.231 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.551 2.272 4.206 1.00 0.00 H new ATOM 251 N GLY A 20 15.408 0.766 7.485 1.00 0.00 N ATOM 252 CA GLY A 20 15.441 1.869 8.437 1.00 0.00 C ATOM 253 C GLY A 20 16.212 3.060 7.856 1.00 0.00 C ATOM 254 O GLY A 20 16.799 2.961 6.779 1.00 0.00 O ATOM 0 H GLY A 20 16.020 -0.012 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.424 2.173 8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.911 1.542 9.365 1.00 0.00 H new ATOM 258 N ALA A 21 16.218 4.184 8.587 1.00 0.00 N ATOM 259 CA ALA A 21 16.885 5.442 8.229 1.00 0.00 C ATOM 260 C ALA A 21 16.468 6.030 6.865 1.00 0.00 C ATOM 261 O ALA A 21 17.153 6.902 6.331 1.00 0.00 O ATOM 262 CB ALA A 21 18.406 5.290 8.371 1.00 0.00 C ATOM 0 H ALA A 21 15.736 4.242 9.484 1.00 0.00 H new ATOM 0 HA ALA A 21 16.539 6.190 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.892 6.228 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.652 5.035 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.756 4.498 7.709 1.00 0.00 H new ATOM 268 N ALA A 22 15.346 5.579 6.287 1.00 0.00 N ATOM 269 CA ALA A 22 14.862 6.040 4.988 1.00 0.00 C ATOM 270 C ALA A 22 14.528 7.541 4.977 1.00 0.00 C ATOM 271 O ALA A 22 14.638 8.183 3.934 1.00 0.00 O ATOM 272 CB ALA A 22 13.638 5.209 4.587 1.00 0.00 C ATOM 0 H ALA A 22 14.745 4.876 6.717 1.00 0.00 H new ATOM 0 HA ALA A 22 15.663 5.901 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.270 5.547 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.917 4.157 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.855 5.331 5.335 1.00 0.00 H new ATOM 278 N SER A 23 14.135 8.099 6.127 1.00 0.00 N ATOM 279 CA SER A 23 13.893 9.526 6.328 1.00 0.00 C ATOM 280 C SER A 23 15.187 10.332 6.509 1.00 0.00 C ATOM 281 O SER A 23 15.128 11.561 6.568 1.00 0.00 O ATOM 282 CB SER A 23 13.046 9.701 7.594 1.00 0.00 C ATOM 283 OG SER A 23 11.861 8.929 7.533 1.00 0.00 O ATOM 0 H SER A 23 13.972 7.548 6.970 1.00 0.00 H new ATOM 0 HA SER A 23 13.389 9.899 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.629 9.407 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.791 10.753 7.720 1.00 0.00 H new ATOM 0 HG SER A 23 11.343 9.060 8.354 1.00 0.00 H new ATOM 289 N GLY A 24 16.327 9.656 6.675 1.00 0.00 N ATOM 290 CA GLY A 24 17.339 10.067 7.631 1.00 0.00 C ATOM 291 C GLY A 24 17.114 9.293 8.930 1.00 0.00 C ATOM 292 O GLY A 24 17.962 9.459 9.829 1.00 0.00 O ATOM 0 H GLY A 24 16.566 8.815 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.336 9.868 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.277 11.140 7.813 1.00 0.00 H new TER 296 GLY A 24