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+ -171:sc= 0.905 (180deg=0.886) 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 -36:sc= 0.67 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.354 4.262 -1.136 1.00 0.00 N ATOM 2 CA ALA A 1 -9.715 4.090 -1.684 1.00 0.00 C ATOM 3 C ALA A 1 -10.405 2.950 -0.928 1.00 0.00 C ATOM 4 O ALA A 1 -10.132 2.823 0.262 1.00 0.00 O ATOM 5 CB ALA A 1 -9.698 3.929 -3.211 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.928 5.125 -1.529 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.404 4.342 -0.100 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.770 3.440 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.308 4.991 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.718 3.805 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.256 4.816 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.108 3.052 -3.478 1.00 0.00 H new ATOM 13 N VAL A 2 -11.288 2.163 -1.567 1.00 0.00 N ATOM 14 CA VAL A 2 -12.244 1.297 -0.864 1.00 0.00 C ATOM 15 C VAL A 2 -12.034 -0.196 -1.167 1.00 0.00 C ATOM 16 O VAL A 2 -12.041 -0.997 -0.238 1.00 0.00 O ATOM 17 CB VAL A 2 -13.692 1.756 -1.171 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.729 0.967 -0.355 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.897 3.254 -0.879 1.00 0.00 C ATOM 0 H VAL A 2 -11.357 2.111 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.064 1.401 0.206 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.839 1.567 -2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.730 1.320 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.650 -0.094 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.543 1.114 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.926 3.532 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.694 3.451 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.216 3.841 -1.495 1.00 0.00 H new ATOM 29 N GLY A 3 -11.907 -0.593 -2.442 1.00 0.00 N ATOM 30 CA GLY A 3 -11.611 -1.960 -2.839 1.00 0.00 C ATOM 31 C GLY A 3 -10.113 -2.220 -2.776 1.00 0.00 C ATOM 32 O GLY A 3 -9.466 -2.089 -1.742 1.00 0.00 O ATOM 0 H GLY A 3 -12.010 0.044 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.135 -2.657 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.975 -2.138 -3.851 1.00 0.00 H new ATOM 36 N ILE A 4 -9.534 -2.486 -3.947 1.00 0.00 N ATOM 37 CA ILE A 4 -8.107 -2.795 -4.098 1.00 0.00 C ATOM 38 C ILE A 4 -7.260 -1.605 -3.620 1.00 0.00 C ATOM 39 O ILE A 4 -6.198 -1.768 -3.026 1.00 0.00 O ATOM 40 CB ILE A 4 -7.790 -3.183 -5.563 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.691 -4.318 -6.109 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.307 -3.562 -5.740 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.638 -5.638 -5.325 1.00 0.00 C ATOM 0 H ILE A 4 -10.046 -2.494 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.854 -3.653 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.006 -2.290 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.722 -3.965 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.408 -4.518 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.121 -3.829 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.679 -2.714 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.070 -4.412 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.304 -6.364 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.619 -6.024 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.953 -5.463 -4.296 1.00 0.00 H new ATOM 55 N GLY A 5 -7.766 -0.394 -3.845 1.00 0.00 N ATOM 56 CA GLY A 5 -7.176 0.863 -3.429 1.00 0.00 C ATOM 57 C GLY A 5 -7.255 1.110 -1.924 1.00 0.00 C ATOM 58 O GLY A 5 -6.609 2.044 -1.453 1.00 0.00 O ATOM 0 H GLY A 5 -8.643 -0.264 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.131 0.883 -3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.677 1.679 -3.949 1.00 0.00 H new ATOM 62 N ALA A 6 -8.085 0.374 -1.170 1.00 0.00 N ATOM 63 CA ALA A 6 -7.908 0.258 0.272 1.00 0.00 C ATOM 64 C ALA A 6 -6.646 -0.550 0.568 1.00 0.00 C ATOM 65 O ALA A 6 -5.819 -0.119 1.362 1.00 0.00 O ATOM 66 CB ALA A 6 -9.138 -0.360 0.940 1.00 0.00 C ATOM 0 H ALA A 6 -8.881 -0.146 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.792 1.257 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.971 -0.431 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.009 0.267 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.311 -1.356 0.533 1.00 0.00 H new ATOM 72 N LEU A 7 -6.473 -1.705 -0.090 1.00 0.00 N ATOM 73 CA LEU A 7 -5.352 -2.620 0.147 1.00 0.00 C ATOM 74 C LEU A 7 -4.037 -1.932 -0.194 1.00 0.00 C ATOM 75 O LEU A 7 -3.029 -2.143 0.464 1.00 0.00 O ATOM 76 CB LEU A 7 -5.460 -3.909 -0.696 1.00 0.00 C ATOM 77 CG LEU A 7 -6.876 -4.473 -0.841 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.868 -5.703 -1.756 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.508 -4.840 0.509 1.00 0.00 C ATOM 0 H LEU A 7 -7.117 -2.032 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.385 -2.893 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.062 -3.709 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.826 -4.673 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.484 -3.684 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.881 -6.093 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.495 -5.422 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.222 -6.470 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.511 -5.235 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.897 -5.595 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.565 -3.951 1.137 1.00 0.00 H new ATOM 91 N PHE A 8 -4.064 -1.090 -1.217 1.00 0.00 N ATOM 92 CA PHE A 8 -2.893 -0.438 -1.783 1.00 0.00 C ATOM 93 C PHE A 8 -2.205 0.474 -0.771 1.00 0.00 C ATOM 94 O PHE A 8 -0.994 0.414 -0.576 1.00 0.00 O ATOM 95 CB PHE A 8 -3.389 0.410 -2.946 1.00 0.00 C ATOM 96 CG PHE A 8 -2.317 0.792 -3.949 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.395 1.816 -3.656 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.227 0.103 -5.174 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.386 2.142 -4.580 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.223 0.435 -6.100 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.301 1.453 -5.802 1.00 0.00 C ATOM 0 H PHE A 8 -4.930 -0.834 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.168 -1.191 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.177 -0.135 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.839 1.320 -2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.463 2.351 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.932 -0.683 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.324 2.923 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.160 -0.092 -7.040 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.473 1.706 -6.512 1.00 0.00 H new ATOM 111 N LEU A 9 -3.002 1.325 -0.125 1.00 0.00 N ATOM 112 CA LEU A 9 -2.508 2.198 0.938 1.00 0.00 C ATOM 113 C LEU A 9 -2.481 1.455 2.270 1.00 0.00 C ATOM 114 O LEU A 9 -1.785 1.866 3.193 1.00 0.00 O ATOM 115 CB LEU A 9 -3.317 3.509 0.993 1.00 0.00 C ATOM 116 CG LEU A 9 -4.818 3.405 1.355 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.090 3.370 2.867 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.557 4.624 0.783 1.00 0.00 C ATOM 0 H LEU A 9 -3.998 1.428 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.479 2.483 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.841 4.169 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.238 3.995 0.020 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.168 2.464 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.163 3.297 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.591 2.507 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.709 4.282 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.616 4.558 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.139 5.536 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.441 4.644 -0.301 1.00 0.00 H new ATOM 130 N GLY A 10 -3.267 0.380 2.359 1.00 0.00 N ATOM 131 CA GLY A 10 -3.610 -0.257 3.626 1.00 0.00 C ATOM 132 C GLY A 10 -2.799 -1.518 3.870 1.00 0.00 C ATOM 133 O GLY A 10 -1.847 -1.518 4.640 1.00 0.00 O ATOM 0 H GLY A 10 -3.685 -0.074 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.441 0.446 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.672 -0.503 3.632 1.00 0.00 H new ATOM 137 N PHE A 11 -3.202 -2.603 3.213 1.00 0.00 N ATOM 138 CA PHE A 11 -2.615 -3.931 3.320 1.00 0.00 C ATOM 139 C PHE A 11 -1.141 -3.927 2.880 1.00 0.00 C ATOM 140 O PHE A 11 -0.269 -4.405 3.602 1.00 0.00 O ATOM 141 CB PHE A 11 -3.466 -4.863 2.439 1.00 0.00 C ATOM 142 CG PHE A 11 -3.072 -6.324 2.526 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.598 -7.139 3.548 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.163 -6.868 1.597 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.217 -8.489 3.639 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.783 -8.218 1.690 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.309 -9.029 2.711 1.00 0.00 C ATOM 0 H PHE A 11 -3.985 -2.576 2.560 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.617 -4.274 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.513 -4.762 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.387 -4.537 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.295 -6.726 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.758 -6.247 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.622 -9.112 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.086 -8.633 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.016 -10.066 2.782 1.00 0.00 H new ATOM 157 N LEU A 12 -0.863 -3.339 1.712 1.00 0.00 N ATOM 158 CA LEU A 12 0.472 -3.146 1.160 1.00 0.00 C ATOM 159 C LEU A 12 1.257 -2.159 2.029 1.00 0.00 C ATOM 160 O LEU A 12 2.405 -2.433 2.366 1.00 0.00 O ATOM 161 CB LEU A 12 0.332 -2.692 -0.306 1.00 0.00 C ATOM 162 CG LEU A 12 1.568 -1.998 -0.908 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.789 -2.928 -0.960 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.259 -1.527 -2.336 1.00 0.00 C ATOM 0 H LEU A 12 -1.595 -2.971 1.104 1.00 0.00 H new ATOM 0 HA LEU A 12 1.041 -4.075 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.093 -3.563 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.516 -2.011 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 12 1.804 -1.153 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.635 -2.394 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.042 -3.253 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.558 -3.798 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.138 -1.037 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.993 -2.385 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.427 -0.824 -2.315 1.00 0.00 H new ATOM 176 N GLY A 13 0.638 -1.054 2.455 1.00 0.00 N ATOM 177 CA GLY A 13 1.329 -0.049 3.260 1.00 0.00 C ATOM 178 C GLY A 13 1.674 -0.571 4.661 1.00 0.00 C ATOM 179 O GLY A 13 2.735 -0.241 5.185 1.00 0.00 O ATOM 0 H GLY A 13 -0.338 -0.835 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.244 0.256 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.702 0.838 3.348 1.00 0.00 H new ATOM 183 N ALA A 14 0.853 -1.457 5.241 1.00 0.00 N ATOM 184 CA ALA A 14 1.182 -2.175 6.469 1.00 0.00 C ATOM 185 C ALA A 14 2.396 -3.094 6.280 1.00 0.00 C ATOM 186 O ALA A 14 3.170 -3.278 7.217 1.00 0.00 O ATOM 187 CB ALA A 14 -0.033 -2.981 6.941 1.00 0.00 C ATOM 0 H ALA A 14 -0.065 -1.694 4.864 1.00 0.00 H new ATOM 0 HA ALA A 14 1.445 -1.441 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.218 -3.515 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.866 -2.305 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.316 -3.698 6.170 1.00 0.00 H new ATOM 193 N ALA A 15 2.601 -3.635 5.071 1.00 0.00 N ATOM 194 CA ALA A 15 3.813 -4.354 4.683 1.00 0.00 C ATOM 195 C ALA A 15 4.982 -3.440 4.314 1.00 0.00 C ATOM 196 O ALA A 15 5.957 -3.906 3.717 1.00 0.00 O ATOM 197 CB ALA A 15 3.539 -5.340 3.552 1.00 0.00 C ATOM 0 H ALA A 15 1.911 -3.581 4.322 1.00 0.00 H new ATOM 0 HA ALA A 15 4.116 -4.904 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.462 -5.857 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.795 -6.068 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.164 -4.801 2.682 1.00 0.00 H new ATOM 203 N GLY A 16 4.915 -2.157 4.671 1.00 0.00 N ATOM 204 CA GLY A 16 5.910 -1.137 4.361 1.00 0.00 C ATOM 205 C GLY A 16 7.158 -1.285 5.232 1.00 0.00 C ATOM 206 O GLY A 16 7.649 -0.315 5.801 1.00 0.00 O ATOM 0 H GLY A 16 4.130 -1.787 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.189 -1.208 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.477 -0.148 4.510 1.00 0.00 H new ATOM 210 N SER A 17 7.651 -2.523 5.346 1.00 0.00 N ATOM 211 CA SER A 17 8.947 -2.843 5.927 1.00 0.00 C ATOM 212 C SER A 17 10.056 -2.357 4.983 1.00 0.00 C ATOM 213 O SER A 17 10.938 -1.609 5.400 1.00 0.00 O ATOM 214 CB SER A 17 9.014 -4.356 6.180 1.00 0.00 C ATOM 215 OG SER A 17 10.162 -4.704 6.923 1.00 0.00 O ATOM 0 H SER A 17 7.142 -3.347 5.027 1.00 0.00 H new ATOM 0 HA SER A 17 9.087 -2.338 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.121 -4.677 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.021 -4.886 5.227 1.00 0.00 H new ATOM 0 HG SER A 17 10.176 -5.673 7.069 1.00 0.00 H new ATOM 221 N THR A 18 10.007 -2.782 3.712 1.00 0.00 N ATOM 222 CA THR A 18 10.995 -2.419 2.701 1.00 0.00 C ATOM 223 C THR A 18 10.554 -1.134 1.987 1.00 0.00 C ATOM 224 O THR A 18 11.104 -0.067 2.248 1.00 0.00 O ATOM 225 CB THR A 18 11.226 -3.603 1.738 1.00 0.00 C ATOM 226 OG1 THR A 18 11.453 -4.792 2.469 1.00 0.00 O ATOM 227 CG2 THR A 18 12.425 -3.362 0.813 1.00 0.00 C ATOM 0 H THR A 18 9.271 -3.393 3.360 1.00 0.00 H new ATOM 0 HA THR A 18 11.957 -2.208 3.169 1.00 0.00 H new ATOM 0 HB THR A 18 10.327 -3.698 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.596 -5.536 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.552 -4.219 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.250 -2.466 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.326 -3.229 1.412 1.00 0.00 H new ATOM 235 N VAL A 19 9.622 -1.242 1.028 1.00 0.00 N ATOM 236 CA VAL A 19 8.909 -0.121 0.420 1.00 0.00 C ATOM 237 C VAL A 19 8.439 0.905 1.459 1.00 0.00 C ATOM 238 O VAL A 19 7.830 0.526 2.458 1.00 0.00 O ATOM 239 CB VAL A 19 7.765 -0.608 -0.498 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.341 -1.324 -1.730 1.00 0.00 C ATOM 241 CG2 VAL A 19 6.745 -1.533 0.191 1.00 0.00 C ATOM 0 H VAL A 19 9.338 -2.144 0.646 1.00 0.00 H new ATOM 0 HA VAL A 19 9.620 0.406 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 19 7.223 0.293 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.525 -1.662 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.976 -0.635 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.931 -2.183 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.978 -1.827 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.254 -2.422 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.280 -1.006 1.024 1.00 0.00 H new ATOM 251 N GLY A 20 8.642 2.194 1.173 1.00 0.00 N ATOM 252 CA GLY A 20 7.835 3.273 1.728 1.00 0.00 C ATOM 253 C GLY A 20 6.723 3.631 0.739 1.00 0.00 C ATOM 254 O GLY A 20 6.748 3.194 -0.416 1.00 0.00 O ATOM 0 H GLY A 20 9.378 2.516 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.405 2.968 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.458 4.145 1.924 1.00 0.00 H new ATOM 258 N ALA A 21 5.767 4.451 1.173 1.00 0.00 N ATOM 259 CA ALA A 21 4.656 4.966 0.384 1.00 0.00 C ATOM 260 C ALA A 21 4.484 6.473 0.640 1.00 0.00 C ATOM 261 O ALA A 21 5.281 7.098 1.336 1.00 0.00 O ATOM 262 CB ALA A 21 3.394 4.163 0.736 1.00 0.00 C ATOM 0 H ALA A 21 5.748 4.790 2.135 1.00 0.00 H new ATOM 0 HA ALA A 21 4.850 4.848 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.551 4.536 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.557 3.110 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.177 4.273 1.799 1.00 0.00 H new ATOM 268 N ALA A 22 3.422 7.078 0.093 1.00 0.00 N ATOM 269 CA ALA A 22 3.154 8.511 0.232 1.00 0.00 C ATOM 270 C ALA A 22 2.951 8.933 1.696 1.00 0.00 C ATOM 271 O ALA A 22 3.213 10.080 2.045 1.00 0.00 O ATOM 272 CB ALA A 22 1.929 8.889 -0.607 1.00 0.00 C ATOM 0 H ALA A 22 2.723 6.583 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 22 4.031 9.047 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.731 9.956 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.120 8.657 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.063 8.324 -0.262 1.00 0.00 H new ATOM 278 N SER A 23 2.467 8.017 2.544 1.00 0.00 N ATOM 279 CA SER A 23 2.305 8.228 3.979 1.00 0.00 C ATOM 280 C SER A 23 3.627 8.137 4.761 1.00 0.00 C ATOM 281 O SER A 23 3.599 8.392 5.969 1.00 0.00 O ATOM 282 CB SER A 23 1.303 7.209 4.537 1.00 0.00 C ATOM 283 OG SER A 23 1.000 7.515 5.883 1.00 0.00 O ATOM 0 H SER A 23 2.172 7.089 2.240 1.00 0.00 H new ATOM 0 HA SER A 23 1.934 9.244 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.391 7.218 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.718 6.204 4.469 1.00 0.00 H new ATOM 0 HG SER A 23 1.802 7.858 6.329 1.00 0.00 H new ATOM 289 N GLY A 24 4.723 7.691 4.136 1.00 0.00 N ATOM 290 CA GLY A 24 5.897 7.146 4.800 1.00 0.00 C ATOM 291 C GLY A 24 6.244 5.832 4.116 1.00 0.00 C ATOM 292 O GLY A 24 7.441 5.614 3.846 1.00 0.00 O ATOM 0 H GLY A 24 4.813 7.703 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.732 7.844 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.698 6.985 5.859 1.00 0.00 H new TER 296 GLY A 24