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+ -154:sc= 0.0922 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 23 SER OG : rot 84:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.734 4.025 -3.714 1.00 0.00 N ATOM 2 CA ALA A 1 -9.659 3.438 -2.361 1.00 0.00 C ATOM 3 C ALA A 1 -10.648 2.265 -2.281 1.00 0.00 C ATOM 4 O ALA A 1 -10.896 1.634 -3.307 1.00 0.00 O ATOM 5 CB ALA A 1 -9.877 4.526 -1.298 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.830 4.486 -3.943 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.925 3.274 -4.408 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.499 4.728 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.668 3.033 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.819 4.081 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.108 5.292 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.859 4.978 -1.436 1.00 0.00 H new ATOM 13 N VAL A 2 -11.207 1.994 -1.096 1.00 0.00 N ATOM 14 CA VAL A 2 -12.356 1.129 -0.805 1.00 0.00 C ATOM 15 C VAL A 2 -12.069 -0.352 -1.078 1.00 0.00 C ATOM 16 O VAL A 2 -11.951 -1.122 -0.130 1.00 0.00 O ATOM 17 CB VAL A 2 -13.650 1.654 -1.480 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.877 0.817 -1.084 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.933 3.120 -1.105 1.00 0.00 C ATOM 0 H VAL A 2 -10.835 2.410 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.536 1.179 0.269 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.481 1.575 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.764 1.216 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.726 -0.218 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.013 0.859 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.847 3.451 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.052 3.203 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.100 3.745 -1.427 1.00 0.00 H new ATOM 29 N GLY A 3 -12.012 -0.757 -2.349 1.00 0.00 N ATOM 30 CA GLY A 3 -11.590 -2.082 -2.762 1.00 0.00 C ATOM 31 C GLY A 3 -10.072 -2.132 -2.828 1.00 0.00 C ATOM 32 O GLY A 3 -9.372 -1.973 -1.831 1.00 0.00 O ATOM 0 H GLY A 3 -12.265 -0.153 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.959 -2.829 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.015 -2.324 -3.736 1.00 0.00 H new ATOM 36 N ILE A 4 -9.560 -2.274 -4.052 1.00 0.00 N ATOM 37 CA ILE A 4 -8.140 -2.458 -4.345 1.00 0.00 C ATOM 38 C ILE A 4 -7.305 -1.319 -3.746 1.00 0.00 C ATOM 39 O ILE A 4 -6.210 -1.560 -3.237 1.00 0.00 O ATOM 40 CB ILE A 4 -7.935 -2.592 -5.875 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.802 -3.703 -6.517 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.454 -2.809 -6.232 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.587 -5.117 -5.958 1.00 0.00 C ATOM 0 H ILE A 4 -10.140 -2.264 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.792 -3.379 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.267 -1.642 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.852 -3.438 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.603 -3.721 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.350 -2.898 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.867 -1.961 -5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.095 -3.722 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.242 -5.817 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.549 -5.413 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.817 -5.126 -4.893 1.00 0.00 H new ATOM 55 N GLY A 5 -7.834 -0.088 -3.738 1.00 0.00 N ATOM 56 CA GLY A 5 -7.089 1.056 -3.245 1.00 0.00 C ATOM 57 C GLY A 5 -6.924 0.999 -1.728 1.00 0.00 C ATOM 58 O GLY A 5 -5.924 1.492 -1.211 1.00 0.00 O ATOM 0 H GLY A 5 -8.774 0.131 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.108 1.085 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.605 1.975 -3.523 1.00 0.00 H new ATOM 62 N ALA A 6 -7.885 0.392 -1.016 1.00 0.00 N ATOM 63 CA ALA A 6 -7.760 0.159 0.414 1.00 0.00 C ATOM 64 C ALA A 6 -6.675 -0.877 0.697 1.00 0.00 C ATOM 65 O ALA A 6 -5.967 -0.750 1.688 1.00 0.00 O ATOM 66 CB ALA A 6 -9.094 -0.301 0.996 1.00 0.00 C ATOM 0 H ALA A 6 -8.759 0.055 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.475 1.097 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.984 -0.471 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.849 0.466 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.403 -1.227 0.511 1.00 0.00 H new ATOM 72 N LEU A 7 -6.497 -1.880 -0.170 1.00 0.00 N ATOM 73 CA LEU A 7 -5.387 -2.816 -0.046 1.00 0.00 C ATOM 74 C LEU A 7 -4.084 -2.087 -0.308 1.00 0.00 C ATOM 75 O LEU A 7 -3.111 -2.280 0.404 1.00 0.00 O ATOM 76 CB LEU A 7 -5.494 -4.015 -1.012 1.00 0.00 C ATOM 77 CG LEU A 7 -6.908 -4.569 -1.224 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.890 -5.692 -2.267 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.540 -5.080 0.079 1.00 0.00 C ATOM 0 H LEU A 7 -7.111 -2.060 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.420 -3.214 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.091 -3.716 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.860 -4.819 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.521 -3.743 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.901 -6.075 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.515 -5.303 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.241 -6.497 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.540 -5.461 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.925 -5.879 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.604 -4.263 0.797 1.00 0.00 H new ATOM 91 N PHE A 8 -4.073 -1.236 -1.325 1.00 0.00 N ATOM 92 CA PHE A 8 -2.847 -0.592 -1.785 1.00 0.00 C ATOM 93 C PHE A 8 -2.277 0.349 -0.731 1.00 0.00 C ATOM 94 O PHE A 8 -1.095 0.273 -0.400 1.00 0.00 O ATOM 95 CB PHE A 8 -3.172 0.253 -3.011 1.00 0.00 C ATOM 96 CG PHE A 8 -3.039 -0.424 -4.368 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.249 -1.810 -4.531 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.667 0.351 -5.485 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.070 -2.412 -5.789 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.498 -0.251 -6.745 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.697 -1.634 -6.897 1.00 0.00 C ATOM 0 H PHE A 8 -4.906 -0.973 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.120 -1.374 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.195 0.616 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.521 1.127 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.549 -2.411 -3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.511 1.414 -5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.220 -3.475 -5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.215 0.350 -7.596 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.563 -2.097 -7.863 1.00 0.00 H new ATOM 111 N LEU A 9 -3.125 1.224 -0.188 1.00 0.00 N ATOM 112 CA LEU A 9 -2.668 2.154 0.841 1.00 0.00 C ATOM 113 C LEU A 9 -2.628 1.459 2.197 1.00 0.00 C ATOM 114 O LEU A 9 -1.918 1.902 3.096 1.00 0.00 O ATOM 115 CB LEU A 9 -3.536 3.430 0.852 1.00 0.00 C ATOM 116 CG LEU A 9 -4.982 3.271 1.383 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.100 3.537 2.892 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.924 4.243 0.657 1.00 0.00 C ATOM 0 H LEU A 9 -4.111 1.307 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.651 2.472 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.030 4.183 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.586 3.819 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.260 2.234 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.137 3.410 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.469 2.834 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.778 4.556 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.937 4.121 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.592 5.267 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.912 4.031 -0.412 1.00 0.00 H new ATOM 130 N GLY A 10 -3.426 0.397 2.340 1.00 0.00 N ATOM 131 CA GLY A 10 -3.705 -0.213 3.637 1.00 0.00 C ATOM 132 C GLY A 10 -2.903 -1.482 3.845 1.00 0.00 C ATOM 133 O GLY A 10 -1.909 -1.479 4.560 1.00 0.00 O ATOM 0 H GLY A 10 -3.895 -0.061 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.474 0.498 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.769 -0.439 3.711 1.00 0.00 H new ATOM 137 N PHE A 11 -3.357 -2.573 3.229 1.00 0.00 N ATOM 138 CA PHE A 11 -2.782 -3.907 3.367 1.00 0.00 C ATOM 139 C PHE A 11 -1.299 -3.932 2.951 1.00 0.00 C ATOM 140 O PHE A 11 -0.441 -4.388 3.706 1.00 0.00 O ATOM 141 CB PHE A 11 -3.635 -4.855 2.503 1.00 0.00 C ATOM 142 CG PHE A 11 -3.244 -6.314 2.609 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.755 -7.109 3.653 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.362 -6.880 1.667 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.389 -8.464 3.751 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.997 -8.233 1.767 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.510 -9.026 2.808 1.00 0.00 C ATOM 0 H PHE A 11 -4.160 -2.550 2.601 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.799 -4.225 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.681 -4.749 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.559 -4.545 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.428 -6.678 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.966 -6.273 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.783 -9.073 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.321 -8.664 1.043 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.229 -10.066 2.884 1.00 0.00 H new ATOM 157 N LEU A 12 -0.998 -3.374 1.776 1.00 0.00 N ATOM 158 CA LEU A 12 0.339 -3.200 1.224 1.00 0.00 C ATOM 159 C LEU A 12 1.115 -2.167 2.043 1.00 0.00 C ATOM 160 O LEU A 12 2.264 -2.420 2.391 1.00 0.00 O ATOM 161 CB LEU A 12 0.208 -2.808 -0.262 1.00 0.00 C ATOM 162 CG LEU A 12 1.432 -2.107 -0.885 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.655 -3.029 -0.926 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.101 -1.651 -2.312 1.00 0.00 C ATOM 0 H LEU A 12 -1.722 -3.014 1.154 1.00 0.00 H new ATOM 0 HA LEU A 12 0.907 -4.129 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.002 -3.709 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.656 -2.152 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 12 1.671 -1.247 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.496 -2.498 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.915 -3.334 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.425 -3.912 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.970 -1.156 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.835 -2.517 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.262 -0.955 -2.286 1.00 0.00 H new ATOM 176 N GLY A 13 0.495 -1.035 2.394 1.00 0.00 N ATOM 177 CA GLY A 13 1.204 0.035 3.091 1.00 0.00 C ATOM 178 C GLY A 13 1.593 -0.371 4.518 1.00 0.00 C ATOM 179 O GLY A 13 2.697 -0.055 4.958 1.00 0.00 O ATOM 0 H GLY A 13 -0.489 -0.840 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.101 0.300 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.575 0.925 3.125 1.00 0.00 H new ATOM 183 N ALA A 14 0.748 -1.139 5.216 1.00 0.00 N ATOM 184 CA ALA A 14 1.081 -1.748 6.501 1.00 0.00 C ATOM 185 C ALA A 14 2.237 -2.745 6.357 1.00 0.00 C ATOM 186 O ALA A 14 3.094 -2.815 7.234 1.00 0.00 O ATOM 187 CB ALA A 14 -0.158 -2.437 7.083 1.00 0.00 C ATOM 0 H ALA A 14 -0.196 -1.355 4.897 1.00 0.00 H new ATOM 0 HA ALA A 14 1.406 -0.963 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.094 -2.890 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.950 -1.702 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.501 -3.210 6.395 1.00 0.00 H new ATOM 193 N ALA A 15 2.300 -3.476 5.236 1.00 0.00 N ATOM 194 CA ALA A 15 3.431 -4.325 4.876 1.00 0.00 C ATOM 195 C ALA A 15 4.616 -3.566 4.286 1.00 0.00 C ATOM 196 O ALA A 15 5.493 -4.194 3.689 1.00 0.00 O ATOM 197 CB ALA A 15 3.012 -5.427 3.909 1.00 0.00 C ATOM 0 H ALA A 15 1.550 -3.490 4.545 1.00 0.00 H new ATOM 0 HA ALA A 15 3.764 -4.759 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.877 -6.042 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.247 -6.048 4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.612 -4.980 2.999 1.00 0.00 H new ATOM 203 N GLY A 16 4.665 -2.243 4.439 1.00 0.00 N ATOM 204 CA GLY A 16 5.659 -1.362 3.840 1.00 0.00 C ATOM 205 C GLY A 16 7.007 -1.467 4.552 1.00 0.00 C ATOM 206 O GLY A 16 7.610 -0.456 4.907 1.00 0.00 O ATOM 0 H GLY A 16 3.984 -1.738 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.783 -1.615 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.305 -0.332 3.881 1.00 0.00 H new ATOM 210 N SER A 17 7.475 -2.702 4.756 1.00 0.00 N ATOM 211 CA SER A 17 8.828 -2.982 5.217 1.00 0.00 C ATOM 212 C SER A 17 9.840 -2.510 4.165 1.00 0.00 C ATOM 213 O SER A 17 9.566 -2.543 2.968 1.00 0.00 O ATOM 214 CB SER A 17 8.976 -4.484 5.474 1.00 0.00 C ATOM 215 OG SER A 17 8.110 -4.884 6.517 1.00 0.00 O ATOM 0 H SER A 17 6.915 -3.541 4.603 1.00 0.00 H new ATOM 0 HA SER A 17 9.020 -2.446 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.746 -5.041 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.008 -4.716 5.738 1.00 0.00 H new ATOM 0 HG SER A 17 8.210 -5.846 6.674 1.00 0.00 H new ATOM 221 N THR A 18 11.034 -2.112 4.609 1.00 0.00 N ATOM 222 CA THR A 18 12.064 -1.442 3.809 1.00 0.00 C ATOM 223 C THR A 18 12.748 -2.359 2.772 1.00 0.00 C ATOM 224 O THR A 18 13.647 -1.915 2.061 1.00 0.00 O ATOM 225 CB THR A 18 13.096 -0.834 4.791 1.00 0.00 C ATOM 226 OG1 THR A 18 12.477 -0.473 6.018 1.00 0.00 O ATOM 227 CG2 THR A 18 13.787 0.422 4.250 1.00 0.00 C ATOM 0 H THR A 18 11.323 -2.253 5.577 1.00 0.00 H new ATOM 0 HA THR A 18 11.585 -0.667 3.211 1.00 0.00 H new ATOM 0 HB THR A 18 13.843 -1.615 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.148 -0.093 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.496 0.794 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.317 0.178 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.040 1.189 4.046 1.00 0.00 H new ATOM 235 N VAL A 19 12.385 -3.647 2.727 1.00 0.00 N ATOM 236 CA VAL A 19 12.740 -4.608 1.683 1.00 0.00 C ATOM 237 C VAL A 19 12.605 -4.049 0.255 1.00 0.00 C ATOM 238 O VAL A 19 11.806 -3.149 -0.005 1.00 0.00 O ATOM 239 CB VAL A 19 11.954 -5.928 1.865 1.00 0.00 C ATOM 240 CG1 VAL A 19 12.255 -6.572 3.229 1.00 0.00 C ATOM 241 CG2 VAL A 19 10.433 -5.767 1.713 1.00 0.00 C ATOM 0 H VAL A 19 11.807 -4.065 3.456 1.00 0.00 H new ATOM 0 HA VAL A 19 13.802 -4.819 1.805 1.00 0.00 H new ATOM 0 HB VAL A 19 12.298 -6.576 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.688 -7.498 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.321 -6.790 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.970 -5.886 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.949 -6.733 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.065 -5.065 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.205 -5.389 0.717 1.00 0.00 H new ATOM 251 N GLY A 20 13.309 -4.682 -0.693 1.00 0.00 N ATOM 252 CA GLY A 20 12.936 -4.665 -2.102 1.00 0.00 C ATOM 253 C GLY A 20 11.958 -5.817 -2.328 1.00 0.00 C ATOM 254 O GLY A 20 10.854 -5.789 -1.790 1.00 0.00 O ATOM 0 H GLY A 20 14.154 -5.219 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.476 -3.713 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.817 -4.779 -2.734 1.00 0.00 H new ATOM 258 N ALA A 21 12.392 -6.854 -3.057 1.00 0.00 N ATOM 259 CA ALA A 21 11.801 -8.194 -3.182 1.00 0.00 C ATOM 260 C ALA A 21 10.336 -8.307 -3.653 1.00 0.00 C ATOM 261 O ALA A 21 9.923 -9.400 -4.033 1.00 0.00 O ATOM 262 CB ALA A 21 12.015 -8.962 -1.870 1.00 0.00 C ATOM 0 H ALA A 21 13.237 -6.770 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 21 12.339 -8.640 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.579 -9.957 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.083 -9.050 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.535 -8.425 -1.052 1.00 0.00 H new ATOM 268 N ALA A 22 9.545 -7.229 -3.687 1.00 0.00 N ATOM 269 CA ALA A 22 8.157 -7.251 -4.153 1.00 0.00 C ATOM 270 C ALA A 22 8.050 -7.673 -5.628 1.00 0.00 C ATOM 271 O ALA A 22 7.049 -8.255 -6.038 1.00 0.00 O ATOM 272 CB ALA A 22 7.529 -5.870 -3.937 1.00 0.00 C ATOM 0 H ALA A 22 9.856 -6.305 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 22 7.613 -7.996 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.495 -5.882 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.554 -5.621 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.091 -5.123 -4.498 1.00 0.00 H new ATOM 278 N SER A 23 9.092 -7.389 -6.413 1.00 0.00 N ATOM 279 CA SER A 23 9.310 -7.814 -7.789 1.00 0.00 C ATOM 280 C SER A 23 9.711 -9.289 -7.931 1.00 0.00 C ATOM 281 O SER A 23 9.787 -9.786 -9.055 1.00 0.00 O ATOM 282 CB SER A 23 10.464 -6.952 -8.331 1.00 0.00 C ATOM 283 OG SER A 23 11.486 -6.763 -7.354 1.00 0.00 O ATOM 0 H SER A 23 9.861 -6.812 -6.073 1.00 0.00 H new ATOM 0 HA SER A 23 8.373 -7.695 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.889 -7.427 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.077 -5.983 -8.645 1.00 0.00 H new ATOM 0 HG SER A 23 12.098 -7.528 -7.369 1.00 0.00 H new ATOM 289 N GLY A 24 10.026 -9.965 -6.821 1.00 0.00 N ATOM 290 CA GLY A 24 11.153 -10.883 -6.806 1.00 0.00 C ATOM 291 C GLY A 24 12.379 -10.072 -6.388 1.00 0.00 C ATOM 292 O GLY A 24 12.426 -8.862 -6.730 1.00 0.00 O ATOM 0 H GLY A 24 9.521 -9.891 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.975 -11.702 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.301 -11.329 -7.790 1.00 0.00 H new TER 296 GLY A 24