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+ -156:sc= 0.773 (180deg=0.712) 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 -7.774 4.227 -1.220 1.00 0.00 N ATOM 2 CA ALA A 1 -9.132 4.155 -1.798 1.00 0.00 C ATOM 3 C ALA A 1 -9.953 3.127 -1.011 1.00 0.00 C ATOM 4 O ALA A 1 -9.705 3.005 0.185 1.00 0.00 O ATOM 5 CB ALA A 1 -9.097 3.899 -3.311 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.351 5.151 -1.441 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.829 4.110 -0.188 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.185 3.471 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.629 5.120 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.116 3.853 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.559 4.708 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.592 2.954 -3.508 1.00 0.00 H new ATOM 13 N VAL A 2 -10.911 2.422 -1.638 1.00 0.00 N ATOM 14 CA VAL A 2 -11.921 1.622 -0.932 1.00 0.00 C ATOM 15 C VAL A 2 -11.830 0.125 -1.270 1.00 0.00 C ATOM 16 O VAL A 2 -11.924 -0.694 -0.360 1.00 0.00 O ATOM 17 CB VAL A 2 -13.334 2.194 -1.207 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.418 1.456 -0.405 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.423 3.690 -0.855 1.00 0.00 C ATOM 0 H VAL A 2 -11.005 2.393 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.719 1.695 0.137 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.506 2.053 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.393 1.889 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.418 0.401 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.212 1.554 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.430 4.053 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.197 3.829 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.705 4.248 -1.456 1.00 0.00 H new ATOM 29 N GLY A 3 -11.708 -0.254 -2.551 1.00 0.00 N ATOM 30 CA GLY A 3 -11.516 -1.633 -2.965 1.00 0.00 C ATOM 31 C GLY A 3 -10.047 -2.017 -2.875 1.00 0.00 C ATOM 32 O GLY A 3 -9.411 -1.961 -1.826 1.00 0.00 O ATOM 0 H GLY A 3 -11.742 0.404 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.110 -2.294 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.870 -1.765 -3.987 1.00 0.00 H new ATOM 36 N ILE A 4 -9.475 -2.311 -4.041 1.00 0.00 N ATOM 37 CA ILE A 4 -8.080 -2.741 -4.184 1.00 0.00 C ATOM 38 C ILE A 4 -7.137 -1.640 -3.672 1.00 0.00 C ATOM 39 O ILE A 4 -6.113 -1.904 -3.047 1.00 0.00 O ATOM 40 CB ILE A 4 -7.802 -3.127 -5.659 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.785 -4.190 -6.210 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.354 -3.603 -5.860 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.884 -5.487 -5.392 1.00 0.00 C ATOM 0 H ILE A 4 -9.974 -2.257 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.895 -3.627 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.959 -2.212 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.778 -3.744 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.485 -4.444 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.199 -3.864 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.666 -2.805 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.169 -4.478 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.598 -6.161 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.906 -5.966 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.218 -5.255 -4.381 1.00 0.00 H new ATOM 55 N GLY A 5 -7.519 -0.385 -3.900 1.00 0.00 N ATOM 56 CA GLY A 5 -6.813 0.792 -3.437 1.00 0.00 C ATOM 57 C GLY A 5 -6.919 1.028 -1.931 1.00 0.00 C ATOM 58 O GLY A 5 -6.203 1.892 -1.430 1.00 0.00 O ATOM 0 H GLY A 5 -8.360 -0.159 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.761 0.702 -3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.202 1.666 -3.960 1.00 0.00 H new ATOM 62 N ALA A 6 -7.839 0.373 -1.204 1.00 0.00 N ATOM 63 CA ALA A 6 -7.719 0.260 0.247 1.00 0.00 C ATOM 64 C ALA A 6 -6.544 -0.647 0.596 1.00 0.00 C ATOM 65 O ALA A 6 -5.762 -0.319 1.482 1.00 0.00 O ATOM 66 CB ALA A 6 -9.010 -0.253 0.887 1.00 0.00 C ATOM 0 H ALA A 6 -8.664 -0.080 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.537 1.256 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.878 -0.322 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.825 0.436 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.248 -1.238 0.486 1.00 0.00 H new ATOM 72 N LEU A 7 -6.396 -1.776 -0.113 1.00 0.00 N ATOM 73 CA LEU A 7 -5.333 -2.745 0.136 1.00 0.00 C ATOM 74 C LEU A 7 -3.988 -2.090 -0.114 1.00 0.00 C ATOM 75 O LEU A 7 -3.046 -2.339 0.621 1.00 0.00 O ATOM 76 CB LEU A 7 -5.439 -4.007 -0.747 1.00 0.00 C ATOM 77 CG LEU A 7 -6.865 -4.497 -1.008 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.846 -5.675 -1.990 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.597 -4.908 0.277 1.00 0.00 C ATOM 0 H LEU A 7 -7.017 -2.038 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.436 -3.063 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.960 -3.803 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.876 -4.811 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.413 -3.659 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.866 -6.016 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.399 -5.356 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.259 -6.491 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.603 -5.247 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.051 -5.716 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.657 -4.053 0.951 1.00 0.00 H new ATOM 91 N PHE A 8 -3.914 -1.234 -1.127 1.00 0.00 N ATOM 92 CA PHE A 8 -2.654 -0.635 -1.549 1.00 0.00 C ATOM 93 C PHE A 8 -2.029 0.192 -0.426 1.00 0.00 C ATOM 94 O PHE A 8 -0.893 -0.044 -0.023 1.00 0.00 O ATOM 95 CB PHE A 8 -2.972 0.333 -2.692 1.00 0.00 C ATOM 96 CG PHE A 8 -3.100 -0.214 -4.107 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.059 -1.595 -4.393 1.00 0.00 C ATOM 98 CD2 PHE A 8 -3.219 0.704 -5.169 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.110 -2.043 -5.725 1.00 0.00 C ATOM 100 CE2 PHE A 8 -3.293 0.255 -6.499 1.00 0.00 C ATOM 101 CZ PHE A 8 -3.232 -1.120 -6.778 1.00 0.00 C ATOM 0 H PHE A 8 -4.721 -0.937 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.964 -1.428 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.908 0.835 -2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.194 1.096 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.988 -2.310 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.254 1.763 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.055 -3.100 -5.940 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.397 0.966 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.279 -1.467 -7.800 1.00 0.00 H new ATOM 111 N LEU A 9 -2.833 1.077 0.167 1.00 0.00 N ATOM 112 CA LEU A 9 -2.356 1.927 1.263 1.00 0.00 C ATOM 113 C LEU A 9 -2.436 1.213 2.609 1.00 0.00 C ATOM 114 O LEU A 9 -1.814 1.630 3.582 1.00 0.00 O ATOM 115 CB LEU A 9 -3.066 3.295 1.258 1.00 0.00 C ATOM 116 CG LEU A 9 -4.602 3.308 1.438 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.079 3.131 2.888 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.143 4.654 0.930 1.00 0.00 C ATOM 0 H LEU A 9 -3.809 1.224 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.298 2.129 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.630 3.902 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.835 3.790 0.315 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.978 2.454 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.168 3.153 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.725 2.175 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.683 3.939 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.226 4.679 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.695 5.466 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.892 4.773 -0.124 1.00 0.00 H new ATOM 130 N GLY A 10 -3.255 0.163 2.661 1.00 0.00 N ATOM 131 CA GLY A 10 -3.662 -0.502 3.890 1.00 0.00 C ATOM 132 C GLY A 10 -2.901 -1.797 4.111 1.00 0.00 C ATOM 133 O GLY A 10 -2.028 -1.881 4.965 1.00 0.00 O ATOM 0 H GLY A 10 -3.662 -0.257 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.497 0.165 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.731 -0.711 3.853 1.00 0.00 H new ATOM 137 N PHE A 11 -3.268 -2.820 3.344 1.00 0.00 N ATOM 138 CA PHE A 11 -2.740 -4.173 3.427 1.00 0.00 C ATOM 139 C PHE A 11 -1.260 -4.212 3.012 1.00 0.00 C ATOM 140 O PHE A 11 -0.412 -4.730 3.735 1.00 0.00 O ATOM 141 CB PHE A 11 -3.614 -5.040 2.501 1.00 0.00 C ATOM 142 CG PHE A 11 -3.298 -6.521 2.561 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.925 -7.339 3.520 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.366 -7.081 1.665 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.620 -8.709 3.584 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.060 -8.451 1.732 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.687 -9.265 2.691 1.00 0.00 C ATOM 0 H PHE A 11 -3.974 -2.721 2.615 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.776 -4.550 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.661 -4.892 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.491 -4.694 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.641 -6.913 4.207 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.886 -6.457 0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.103 -9.335 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.343 -8.878 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.452 -10.318 2.742 1.00 0.00 H new ATOM 157 N LEU A 12 -0.949 -3.607 1.864 1.00 0.00 N ATOM 158 CA LEU A 12 0.387 -3.426 1.315 1.00 0.00 C ATOM 159 C LEU A 12 1.129 -2.343 2.106 1.00 0.00 C ATOM 160 O LEU A 12 2.293 -2.537 2.441 1.00 0.00 O ATOM 161 CB LEU A 12 0.239 -3.118 -0.188 1.00 0.00 C ATOM 162 CG LEU A 12 1.435 -2.415 -0.850 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.688 -3.297 -0.842 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.090 -2.043 -2.296 1.00 0.00 C ATOM 0 H LEU A 12 -1.669 -3.209 1.261 1.00 0.00 H new ATOM 0 HA LEU A 12 0.996 -4.325 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.056 -4.055 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.645 -2.496 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 12 1.646 -1.515 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.511 -2.764 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.958 -3.536 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.488 -4.219 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.943 -1.545 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.850 -2.946 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.231 -1.372 -2.304 1.00 0.00 H new ATOM 176 N GLY A 13 0.455 -1.255 2.492 1.00 0.00 N ATOM 177 CA GLY A 13 1.090 -0.194 3.268 1.00 0.00 C ATOM 178 C GLY A 13 1.450 -0.638 4.691 1.00 0.00 C ATOM 179 O GLY A 13 2.467 -0.188 5.214 1.00 0.00 O ATOM 0 H GLY A 13 -0.529 -1.089 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.993 0.135 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.421 0.665 3.318 1.00 0.00 H new ATOM 183 N ALA A 14 0.713 -1.581 5.295 1.00 0.00 N ATOM 184 CA ALA A 14 1.122 -2.237 6.536 1.00 0.00 C ATOM 185 C ALA A 14 2.404 -3.056 6.342 1.00 0.00 C ATOM 186 O ALA A 14 3.229 -3.120 7.250 1.00 0.00 O ATOM 187 CB ALA A 14 -0.005 -3.133 7.061 1.00 0.00 C ATOM 0 H ALA A 14 -0.183 -1.908 4.933 1.00 0.00 H new ATOM 0 HA ALA A 14 1.330 -1.459 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.314 -3.615 7.985 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.891 -2.528 7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.241 -3.894 6.318 1.00 0.00 H new ATOM 193 N ALA A 15 2.602 -3.646 5.155 1.00 0.00 N ATOM 194 CA ALA A 15 3.861 -4.252 4.729 1.00 0.00 C ATOM 195 C ALA A 15 4.896 -3.240 4.233 1.00 0.00 C ATOM 196 O ALA A 15 5.883 -3.628 3.603 1.00 0.00 O ATOM 197 CB ALA A 15 3.622 -5.335 3.681 1.00 0.00 C ATOM 0 H ALA A 15 1.868 -3.714 4.450 1.00 0.00 H new ATOM 0 HA ALA A 15 4.286 -4.708 5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.576 -5.769 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.985 -6.113 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.134 -4.897 2.810 1.00 0.00 H new ATOM 203 N GLY A 16 4.703 -1.953 4.526 1.00 0.00 N ATOM 204 CA GLY A 16 5.556 -0.849 4.104 1.00 0.00 C ATOM 205 C GLY A 16 6.859 -0.803 4.904 1.00 0.00 C ATOM 206 O GLY A 16 7.305 0.264 5.323 1.00 0.00 O ATOM 0 H GLY A 16 3.912 -1.642 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.784 -0.950 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.020 0.092 4.227 1.00 0.00 H new ATOM 210 N SER A 17 7.454 -1.978 5.132 1.00 0.00 N ATOM 211 CA SER A 17 8.777 -2.146 5.712 1.00 0.00 C ATOM 212 C SER A 17 9.856 -1.958 4.640 1.00 0.00 C ATOM 213 O SER A 17 10.866 -1.309 4.900 1.00 0.00 O ATOM 214 CB SER A 17 8.891 -3.546 6.329 1.00 0.00 C ATOM 215 OG SER A 17 7.851 -3.770 7.263 1.00 0.00 O ATOM 0 H SER A 17 7.006 -2.866 4.907 1.00 0.00 H new ATOM 0 HA SER A 17 8.923 -1.394 6.488 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.848 -4.299 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.857 -3.654 6.821 1.00 0.00 H new ATOM 0 HG SER A 17 7.941 -4.669 7.643 1.00 0.00 H new ATOM 221 N THR A 18 9.665 -2.572 3.464 1.00 0.00 N ATOM 222 CA THR A 18 10.618 -2.539 2.357 1.00 0.00 C ATOM 223 C THR A 18 10.299 -1.342 1.450 1.00 0.00 C ATOM 224 O THR A 18 10.940 -0.299 1.550 1.00 0.00 O ATOM 225 CB THR A 18 10.627 -3.900 1.629 1.00 0.00 C ATOM 226 OG1 THR A 18 10.711 -4.955 2.569 1.00 0.00 O ATOM 227 CG2 THR A 18 11.807 -4.022 0.661 1.00 0.00 C ATOM 0 H THR A 18 8.827 -3.114 3.256 1.00 0.00 H new ATOM 0 HA THR A 18 11.635 -2.391 2.720 1.00 0.00 H new ATOM 0 HB THR A 18 9.698 -3.964 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.714 -5.814 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.776 -4.995 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.745 -3.234 -0.090 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.742 -3.924 1.213 1.00 0.00 H new ATOM 235 N VAL A 19 9.321 -1.491 0.545 1.00 0.00 N ATOM 236 CA VAL A 19 8.542 -0.389 -0.020 1.00 0.00 C ATOM 237 C VAL A 19 8.112 0.605 1.069 1.00 0.00 C ATOM 238 O VAL A 19 7.832 0.191 2.190 1.00 0.00 O ATOM 239 CB VAL A 19 7.335 -0.937 -0.815 1.00 0.00 C ATOM 240 CG1 VAL A 19 7.792 -1.587 -2.128 1.00 0.00 C ATOM 241 CG2 VAL A 19 6.490 -1.954 -0.026 1.00 0.00 C ATOM 0 H VAL A 19 9.046 -2.403 0.180 1.00 0.00 H new ATOM 0 HA VAL A 19 9.175 0.162 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 19 6.706 -0.071 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.924 -1.965 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.307 -0.847 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.470 -2.412 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.661 -2.296 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.111 -2.806 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.099 -1.481 0.875 1.00 0.00 H new ATOM 251 N GLY A 20 7.961 1.892 0.723 1.00 0.00 N ATOM 252 CA GLY A 20 7.410 2.883 1.646 1.00 0.00 C ATOM 253 C GLY A 20 5.899 2.704 1.824 1.00 0.00 C ATOM 254 O GLY A 20 5.411 2.761 2.948 1.00 0.00 O ATOM 0 H GLY A 20 8.214 2.267 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.904 2.795 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.617 3.886 1.272 1.00 0.00 H new ATOM 258 N ALA A 21 5.185 2.463 0.714 1.00 0.00 N ATOM 259 CA ALA A 21 3.801 1.997 0.540 1.00 0.00 C ATOM 260 C ALA A 21 2.652 2.667 1.325 1.00 0.00 C ATOM 261 O ALA A 21 1.491 2.416 1.011 1.00 0.00 O ATOM 262 CB ALA A 21 3.776 0.479 0.718 1.00 0.00 C ATOM 0 H ALA A 21 5.620 2.609 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 21 3.555 2.326 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.756 0.115 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.422 0.015 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.132 0.224 1.716 1.00 0.00 H new ATOM 268 N ALA A 22 2.909 3.543 2.300 1.00 0.00 N ATOM 269 CA ALA A 22 1.865 4.214 3.074 1.00 0.00 C ATOM 270 C ALA A 22 0.962 5.089 2.191 1.00 0.00 C ATOM 271 O ALA A 22 -0.207 5.294 2.510 1.00 0.00 O ATOM 272 CB ALA A 22 2.517 5.054 4.176 1.00 0.00 C ATOM 0 H ALA A 22 3.855 3.807 2.575 1.00 0.00 H new ATOM 0 HA ALA A 22 1.226 3.451 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.743 5.557 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.099 4.406 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.174 5.798 3.726 1.00 0.00 H new ATOM 278 N SER A 23 1.501 5.609 1.083 1.00 0.00 N ATOM 279 CA SER A 23 0.772 6.385 0.088 1.00 0.00 C ATOM 280 C SER A 23 -0.137 5.523 -0.803 1.00 0.00 C ATOM 281 O SER A 23 -1.016 6.077 -1.466 1.00 0.00 O ATOM 282 CB SER A 23 1.794 7.117 -0.793 1.00 0.00 C ATOM 283 OG SER A 23 2.749 7.803 0.000 1.00 0.00 O ATOM 0 H SER A 23 2.488 5.495 0.852 1.00 0.00 H new ATOM 0 HA SER A 23 0.123 7.081 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.300 6.401 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.279 7.825 -1.442 1.00 0.00 H new ATOM 0 HG SER A 23 3.390 8.260 -0.583 1.00 0.00 H new ATOM 289 N GLY A 24 0.071 4.201 -0.847 1.00 0.00 N ATOM 290 CA GLY A 24 -0.441 3.312 -1.877 1.00 0.00 C ATOM 291 C GLY A 24 0.673 2.378 -2.341 1.00 0.00 C ATOM 292 O GLY A 24 1.855 2.747 -2.147 1.00 0.00 O ATOM 0 H GLY A 24 0.620 3.713 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.278 2.732 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.818 3.892 -2.719 1.00 0.00 H new TER 296 GLY A 24