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+ 139:sc= 0.0775 (180deg=0) USER MOD Single : A 17 SER OG : rot -93:sc= 1.33 USER MOD Single : A 18 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.024 5.744 -0.763 1.00 0.00 N ATOM 2 CA ALA A 1 -9.633 4.338 -0.975 1.00 0.00 C ATOM 3 C ALA A 1 -10.768 3.447 -0.478 1.00 0.00 C ATOM 4 O ALA A 1 -11.327 3.767 0.567 1.00 0.00 O ATOM 5 CB ALA A 1 -8.327 4.039 -0.234 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.205 6.284 -0.417 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.353 6.152 -1.661 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.790 5.789 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.460 4.144 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.046 2.998 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.538 4.690 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.465 4.215 0.833 1.00 0.00 H new ATOM 13 N VAL A 2 -11.153 2.405 -1.233 1.00 0.00 N ATOM 14 CA VAL A 2 -12.356 1.614 -0.938 1.00 0.00 C ATOM 15 C VAL A 2 -12.097 0.109 -1.121 1.00 0.00 C ATOM 16 O VAL A 2 -12.048 -0.616 -0.134 1.00 0.00 O ATOM 17 CB VAL A 2 -13.574 2.116 -1.762 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.863 1.388 -1.349 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.820 3.628 -1.615 1.00 0.00 C ATOM 0 H VAL A 2 -10.643 2.090 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.607 1.759 0.113 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.325 1.900 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.698 1.761 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.747 0.318 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.060 1.569 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.684 3.916 -2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.009 3.866 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.942 4.175 -1.958 1.00 0.00 H new ATOM 29 N GLY A 3 -12.025 -0.376 -2.367 1.00 0.00 N ATOM 30 CA GLY A 3 -11.760 -1.763 -2.715 1.00 0.00 C ATOM 31 C GLY A 3 -10.267 -2.051 -2.713 1.00 0.00 C ATOM 32 O GLY A 3 -9.579 -1.939 -1.703 1.00 0.00 O ATOM 0 H GLY A 3 -12.156 0.217 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.262 -2.422 -2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.174 -1.980 -3.700 1.00 0.00 H new ATOM 36 N ILE A 4 -9.749 -2.331 -3.912 1.00 0.00 N ATOM 37 CA ILE A 4 -8.345 -2.679 -4.142 1.00 0.00 C ATOM 38 C ILE A 4 -7.426 -1.560 -3.633 1.00 0.00 C ATOM 39 O ILE A 4 -6.361 -1.832 -3.085 1.00 0.00 O ATOM 40 CB ILE A 4 -8.102 -2.993 -5.640 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.073 -4.053 -6.215 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.646 -3.423 -5.899 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.069 -5.411 -5.497 1.00 0.00 C ATOM 0 H ILE A 4 -10.305 -2.322 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.105 -3.580 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.300 -2.058 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.085 -3.648 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.826 -4.215 -7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.512 -3.635 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.971 -2.620 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.422 -4.318 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.783 -6.079 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.072 -5.847 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.350 -5.271 -4.453 1.00 0.00 H new ATOM 55 N GLY A 5 -7.870 -0.304 -3.736 1.00 0.00 N ATOM 56 CA GLY A 5 -7.115 0.857 -3.290 1.00 0.00 C ATOM 57 C GLY A 5 -6.951 0.875 -1.772 1.00 0.00 C ATOM 58 O GLY A 5 -5.937 1.360 -1.273 1.00 0.00 O ATOM 0 H GLY A 5 -8.777 -0.068 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.133 0.856 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.622 1.767 -3.612 1.00 0.00 H new ATOM 62 N ALA A 6 -7.933 0.346 -1.031 1.00 0.00 N ATOM 63 CA ALA A 6 -7.823 0.186 0.409 1.00 0.00 C ATOM 64 C ALA A 6 -6.783 -0.876 0.757 1.00 0.00 C ATOM 65 O ALA A 6 -6.086 -0.726 1.753 1.00 0.00 O ATOM 66 CB ALA A 6 -9.194 -0.145 0.994 1.00 0.00 C ATOM 0 H ALA A 6 -8.819 0.021 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.482 1.122 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.109 -0.265 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.889 0.664 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.563 -1.071 0.554 1.00 0.00 H new ATOM 72 N LEU A 7 -6.620 -1.919 -0.066 1.00 0.00 N ATOM 73 CA LEU A 7 -5.518 -2.864 0.082 1.00 0.00 C ATOM 74 C LEU A 7 -4.208 -2.164 -0.243 1.00 0.00 C ATOM 75 O LEU A 7 -3.210 -2.364 0.425 1.00 0.00 O ATOM 76 CB LEU A 7 -5.676 -4.107 -0.818 1.00 0.00 C ATOM 77 CG LEU A 7 -7.112 -4.628 -0.961 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.153 -5.817 -1.928 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.725 -5.039 0.386 1.00 0.00 C ATOM 0 H LEU A 7 -7.245 -2.126 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.523 -3.212 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.292 -3.870 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.054 -4.908 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.708 -3.806 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.178 -6.176 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.790 -5.503 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.520 -6.618 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.741 -5.400 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.124 -5.831 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.746 -4.178 1.054 1.00 0.00 H new ATOM 91 N PHE A 8 -4.215 -1.329 -1.270 1.00 0.00 N ATOM 92 CA PHE A 8 -3.006 -0.716 -1.814 1.00 0.00 C ATOM 93 C PHE A 8 -2.356 0.247 -0.825 1.00 0.00 C ATOM 94 O PHE A 8 -1.163 0.189 -0.542 1.00 0.00 O ATOM 95 CB PHE A 8 -3.427 0.087 -3.033 1.00 0.00 C ATOM 96 CG PHE A 8 -2.332 0.264 -4.066 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.342 1.252 -3.892 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.282 -0.586 -5.188 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.311 1.389 -4.838 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.252 -0.445 -6.135 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.267 0.543 -5.960 1.00 0.00 C ATOM 0 H PHE A 8 -5.068 -1.053 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.286 -1.501 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.279 -0.405 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.767 1.070 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.375 1.904 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.036 -1.348 -5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.448 2.145 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.218 -1.095 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.524 0.652 -6.688 1.00 0.00 H new ATOM 111 N LEU A 9 -3.180 1.136 -0.278 1.00 0.00 N ATOM 112 CA LEU A 9 -2.776 2.065 0.760 1.00 0.00 C ATOM 113 C LEU A 9 -2.592 1.282 2.054 1.00 0.00 C ATOM 114 O LEU A 9 -1.733 1.607 2.867 1.00 0.00 O ATOM 115 CB LEU A 9 -3.885 3.136 0.877 1.00 0.00 C ATOM 116 CG LEU A 9 -4.021 3.827 2.245 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.824 4.729 2.572 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.300 4.676 2.267 1.00 0.00 C ATOM 0 H LEU A 9 -4.159 1.229 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.833 2.563 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.703 3.902 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.839 2.669 0.633 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.062 3.040 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.973 5.191 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.912 4.132 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.736 5.506 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.395 5.165 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.249 5.431 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.165 4.035 2.097 1.00 0.00 H new ATOM 130 N GLY A 10 -3.446 0.280 2.249 1.00 0.00 N ATOM 131 CA GLY A 10 -3.682 -0.273 3.582 1.00 0.00 C ATOM 132 C GLY A 10 -2.911 -1.560 3.821 1.00 0.00 C ATOM 133 O GLY A 10 -1.942 -1.576 4.572 1.00 0.00 O ATOM 0 H GLY A 10 -3.984 -0.164 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.396 0.463 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.748 -0.462 3.710 1.00 0.00 H new ATOM 137 N PHE A 11 -3.356 -2.644 3.191 1.00 0.00 N ATOM 138 CA PHE A 11 -2.780 -3.980 3.311 1.00 0.00 C ATOM 139 C PHE A 11 -1.307 -3.999 2.859 1.00 0.00 C ATOM 140 O PHE A 11 -0.432 -4.466 3.587 1.00 0.00 O ATOM 141 CB PHE A 11 -3.658 -4.930 2.473 1.00 0.00 C ATOM 142 CG PHE A 11 -3.287 -6.394 2.594 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.723 -7.145 3.704 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.506 -7.010 1.597 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.381 -8.505 3.813 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.166 -8.370 1.706 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.604 -9.118 2.814 1.00 0.00 C ATOM 0 H PHE A 11 -4.157 -2.615 2.560 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.771 -4.304 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.698 -4.805 2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.593 -4.636 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.320 -6.676 4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.167 -6.436 0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.715 -9.079 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.569 -8.840 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.344 -10.163 2.897 1.00 0.00 H new ATOM 157 N LEU A 12 -1.029 -3.430 1.683 1.00 0.00 N ATOM 158 CA LEU A 12 0.297 -3.221 1.116 1.00 0.00 C ATOM 159 C LEU A 12 1.069 -2.189 1.944 1.00 0.00 C ATOM 160 O LEU A 12 2.231 -2.429 2.257 1.00 0.00 O ATOM 161 CB LEU A 12 0.142 -2.828 -0.368 1.00 0.00 C ATOM 162 CG LEU A 12 1.310 -2.038 -0.994 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.594 -2.871 -1.049 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.954 -1.603 -2.424 1.00 0.00 C ATOM 0 H LEU A 12 -1.768 -3.085 1.070 1.00 0.00 H new ATOM 0 HA LEU A 12 0.888 -4.136 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.005 -3.738 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.766 -2.234 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 12 1.480 -1.167 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.393 -2.279 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.881 -3.164 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.423 -3.764 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.787 -1.047 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.754 -2.484 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.068 -0.969 -2.401 1.00 0.00 H new ATOM 176 N GLY A 13 0.442 -1.081 2.358 1.00 0.00 N ATOM 177 CA GLY A 13 1.165 -0.055 3.108 1.00 0.00 C ATOM 178 C GLY A 13 1.568 -0.536 4.506 1.00 0.00 C ATOM 179 O GLY A 13 2.646 -0.178 4.979 1.00 0.00 O ATOM 0 H GLY A 13 -0.543 -0.877 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.058 0.236 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.541 0.834 3.197 1.00 0.00 H new ATOM 183 N ALA A 14 0.777 -1.411 5.141 1.00 0.00 N ATOM 184 CA ALA A 14 1.162 -2.096 6.371 1.00 0.00 C ATOM 185 C ALA A 14 2.375 -3.011 6.152 1.00 0.00 C ATOM 186 O ALA A 14 3.206 -3.142 7.047 1.00 0.00 O ATOM 187 CB ALA A 14 -0.029 -2.896 6.910 1.00 0.00 C ATOM 0 H ALA A 14 -0.154 -1.662 4.809 1.00 0.00 H new ATOM 0 HA ALA A 14 1.452 -1.344 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.261 -3.406 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.858 -2.219 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.339 -3.632 6.168 1.00 0.00 H new ATOM 193 N ALA A 15 2.516 -3.601 4.957 1.00 0.00 N ATOM 194 CA ALA A 15 3.714 -4.315 4.518 1.00 0.00 C ATOM 195 C ALA A 15 4.841 -3.406 4.034 1.00 0.00 C ATOM 196 O ALA A 15 5.754 -3.886 3.359 1.00 0.00 O ATOM 197 CB ALA A 15 3.397 -5.340 3.436 1.00 0.00 C ATOM 0 H ALA A 15 1.778 -3.592 4.253 1.00 0.00 H new ATOM 0 HA ALA A 15 4.071 -4.822 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.313 -5.849 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.686 -6.070 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.964 -4.835 2.572 1.00 0.00 H new ATOM 203 N GLY A 16 4.786 -2.109 4.339 1.00 0.00 N ATOM 204 CA GLY A 16 5.742 -1.107 3.891 1.00 0.00 C ATOM 205 C GLY A 16 7.053 -1.228 4.666 1.00 0.00 C ATOM 206 O GLY A 16 7.503 -0.276 5.300 1.00 0.00 O ATOM 0 H GLY A 16 4.048 -1.718 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.931 -1.229 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.323 -0.110 4.028 1.00 0.00 H new ATOM 210 N SER A 17 7.656 -2.418 4.598 1.00 0.00 N ATOM 211 CA SER A 17 8.968 -2.714 5.155 1.00 0.00 C ATOM 212 C SER A 17 10.049 -1.881 4.453 1.00 0.00 C ATOM 213 O SER A 17 9.872 -1.412 3.327 1.00 0.00 O ATOM 214 CB SER A 17 9.236 -4.218 4.964 1.00 0.00 C ATOM 215 OG SER A 17 10.473 -4.633 5.515 1.00 0.00 O ATOM 0 H SER A 17 7.228 -3.222 4.139 1.00 0.00 H new ATOM 0 HA SER A 17 8.993 -2.460 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.429 -4.787 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.222 -4.452 3.899 1.00 0.00 H new ATOM 0 HG SER A 17 11.168 -4.594 4.825 1.00 0.00 H new ATOM 221 N THR A 18 11.230 -1.816 5.077 1.00 0.00 N ATOM 222 CA THR A 18 12.460 -1.588 4.331 1.00 0.00 C ATOM 223 C THR A 18 12.708 -2.838 3.477 1.00 0.00 C ATOM 224 O THR A 18 12.333 -3.951 3.867 1.00 0.00 O ATOM 225 CB THR A 18 13.633 -1.292 5.295 1.00 0.00 C ATOM 226 OG1 THR A 18 14.832 -1.097 4.572 1.00 0.00 O ATOM 227 CG2 THR A 18 13.876 -2.359 6.376 1.00 0.00 C ATOM 0 H THR A 18 11.354 -1.917 6.084 1.00 0.00 H new ATOM 0 HA THR A 18 12.376 -0.715 3.684 1.00 0.00 H new ATOM 0 HB THR A 18 13.332 -0.385 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.260 -1.963 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.718 -2.060 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.984 -2.460 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.098 -3.314 5.901 1.00 0.00 H new ATOM 235 N VAL A 19 13.355 -2.662 2.320 1.00 0.00 N ATOM 236 CA VAL A 19 14.271 -3.663 1.782 1.00 0.00 C ATOM 237 C VAL A 19 15.178 -4.198 2.899 1.00 0.00 C ATOM 238 O VAL A 19 15.632 -3.411 3.735 1.00 0.00 O ATOM 239 CB VAL A 19 15.066 -3.101 0.583 1.00 0.00 C ATOM 240 CG1 VAL A 19 14.125 -2.859 -0.606 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.833 -1.802 0.890 1.00 0.00 C ATOM 0 H VAL A 19 13.258 -1.830 1.738 1.00 0.00 H new ATOM 0 HA VAL A 19 13.696 -4.506 1.397 1.00 0.00 H new ATOM 0 HB VAL A 19 15.813 -3.858 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.695 -2.463 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.657 -3.799 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.355 -2.143 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.365 -1.474 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.130 -1.029 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.549 -1.983 1.692 1.00 0.00 H new ATOM 251 N GLY A 20 15.467 -5.503 2.888 1.00 0.00 N ATOM 252 CA GLY A 20 16.421 -6.113 3.803 1.00 0.00 C ATOM 253 C GLY A 20 17.835 -5.776 3.346 1.00 0.00 C ATOM 254 O GLY A 20 18.294 -6.323 2.342 1.00 0.00 O ATOM 0 H GLY A 20 15.041 -6.164 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.256 -5.748 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.281 -7.194 3.827 1.00 0.00 H new ATOM 258 N ALA A 21 18.502 -4.853 4.039 1.00 0.00 N ATOM 259 CA ALA A 21 19.913 -4.555 3.844 1.00 0.00 C ATOM 260 C ALA A 21 20.765 -5.525 4.676 1.00 0.00 C ATOM 261 O ALA A 21 20.246 -6.379 5.395 1.00 0.00 O ATOM 262 CB ALA A 21 20.167 -3.093 4.238 1.00 0.00 C ATOM 0 H ALA A 21 18.065 -4.284 4.764 1.00 0.00 H new ATOM 0 HA ALA A 21 20.193 -4.685 2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 21.221 -2.856 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.561 -2.437 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 19.899 -2.946 5.284 1.00 0.00 H new ATOM 268 N ALA A 22 22.093 -5.366 4.630 1.00 0.00 N ATOM 269 CA ALA A 22 23.008 -6.168 5.440 1.00 0.00 C ATOM 270 C ALA A 22 22.764 -5.965 6.943 1.00 0.00 C ATOM 271 O ALA A 22 23.026 -6.868 7.734 1.00 0.00 O ATOM 272 CB ALA A 22 24.455 -5.825 5.076 1.00 0.00 C ATOM 0 H ALA A 22 22.558 -4.682 4.033 1.00 0.00 H new ATOM 0 HA ALA A 22 22.822 -7.220 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 22 25.134 -6.425 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.625 -6.039 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.637 -4.767 5.266 1.00 0.00 H new ATOM 278 N SER A 23 22.269 -4.787 7.337 1.00 0.00 N ATOM 279 CA SER A 23 21.881 -4.466 8.706 1.00 0.00 C ATOM 280 C SER A 23 20.552 -5.108 9.136 1.00 0.00 C ATOM 281 O SER A 23 20.244 -5.072 10.327 1.00 0.00 O ATOM 282 CB SER A 23 21.766 -2.941 8.833 1.00 0.00 C ATOM 283 OG SER A 23 22.918 -2.302 8.309 1.00 0.00 O ATOM 0 H SER A 23 22.125 -4.011 6.690 1.00 0.00 H new ATOM 0 HA SER A 23 22.650 -4.872 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 20.879 -2.594 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 23 21.638 -2.668 9.880 1.00 0.00 H new ATOM 0 HG SER A 23 22.823 -1.331 8.399 1.00 0.00 H new ATOM 289 N GLY A 24 19.767 -5.663 8.203 1.00 0.00 N ATOM 290 CA GLY A 24 18.376 -6.047 8.401 1.00 0.00 C ATOM 291 C GLY A 24 17.486 -5.359 7.373 1.00 0.00 C ATOM 292 O GLY A 24 16.323 -5.796 7.263 1.00 0.00 O ATOM 0 H GLY A 24 20.101 -5.861 7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.274 -7.129 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.057 -5.777 9.408 1.00 0.00 H new TER 296 GLY A 24