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+ 137:sc= 0.0793 (180deg=0) USER MOD Single : A 17 SER OG : rot -75:sc= 0.922 USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.503 USER MOD Single : A 23 SER OG : rot 50:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.326 4.638 -3.711 1.00 0.00 N ATOM 2 CA ALA A 1 -10.447 3.705 -3.944 1.00 0.00 C ATOM 3 C ALA A 1 -10.599 2.794 -2.729 1.00 0.00 C ATOM 4 O ALA A 1 -9.596 2.464 -2.108 1.00 0.00 O ATOM 5 CB ALA A 1 -10.226 2.881 -5.217 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.753 4.715 -4.575 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.701 5.575 -3.460 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.734 4.282 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.363 4.278 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.067 2.203 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.146 3.550 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.307 2.303 -5.121 1.00 0.00 H new ATOM 13 N VAL A 2 -11.831 2.408 -2.387 1.00 0.00 N ATOM 14 CA VAL A 2 -12.173 1.742 -1.120 1.00 0.00 C ATOM 15 C VAL A 2 -12.004 0.212 -1.206 1.00 0.00 C ATOM 16 O VAL A 2 -11.944 -0.468 -0.189 1.00 0.00 O ATOM 17 CB VAL A 2 -13.630 2.119 -0.748 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.041 1.646 0.657 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.864 3.643 -0.799 1.00 0.00 C ATOM 0 H VAL A 2 -12.638 2.551 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.487 2.082 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.238 1.609 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.071 1.942 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.958 0.561 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.385 2.100 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.898 3.862 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.195 4.138 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.665 4.008 -1.807 1.00 0.00 H new ATOM 29 N GLY A 3 -11.962 -0.333 -2.424 1.00 0.00 N ATOM 30 CA GLY A 3 -11.687 -1.730 -2.719 1.00 0.00 C ATOM 31 C GLY A 3 -10.186 -1.990 -2.748 1.00 0.00 C ATOM 32 O GLY A 3 -9.498 -1.926 -1.733 1.00 0.00 O ATOM 0 H GLY A 3 -12.127 0.218 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.156 -2.365 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.126 -1.997 -3.680 1.00 0.00 H new ATOM 36 N ILE A 4 -9.665 -2.212 -3.957 1.00 0.00 N ATOM 37 CA ILE A 4 -8.260 -2.549 -4.196 1.00 0.00 C ATOM 38 C ILE A 4 -7.340 -1.447 -3.655 1.00 0.00 C ATOM 39 O ILE A 4 -6.269 -1.742 -3.129 1.00 0.00 O ATOM 40 CB ILE A 4 -8.024 -2.821 -5.703 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.981 -3.886 -6.294 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.563 -3.216 -5.989 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.960 -5.255 -5.597 1.00 0.00 C ATOM 0 H ILE A 4 -10.218 -2.162 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.015 -3.463 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.243 -1.877 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.998 -3.495 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.732 -4.029 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.438 -3.399 -7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.900 -2.408 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.316 -4.121 -5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.665 -5.925 -6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.957 -5.678 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.243 -5.135 -4.551 1.00 0.00 H new ATOM 55 N GLY A 5 -7.775 -0.183 -3.716 1.00 0.00 N ATOM 56 CA GLY A 5 -6.982 0.942 -3.239 1.00 0.00 C ATOM 57 C GLY A 5 -6.805 0.899 -1.723 1.00 0.00 C ATOM 58 O GLY A 5 -5.752 1.288 -1.220 1.00 0.00 O ATOM 0 H GLY A 5 -8.683 0.082 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.004 0.930 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.466 1.876 -3.524 1.00 0.00 H new ATOM 62 N ALA A 6 -7.809 0.394 -0.999 1.00 0.00 N ATOM 63 CA ALA A 6 -7.738 0.198 0.436 1.00 0.00 C ATOM 64 C ALA A 6 -6.748 -0.913 0.790 1.00 0.00 C ATOM 65 O ALA A 6 -6.104 -0.835 1.828 1.00 0.00 O ATOM 66 CB ALA A 6 -9.139 -0.082 0.971 1.00 0.00 C ATOM 0 H ALA A 6 -8.700 0.109 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.364 1.104 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.094 -0.231 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.789 0.764 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.537 -0.980 0.498 1.00 0.00 H new ATOM 72 N LEU A 7 -6.566 -1.923 -0.069 1.00 0.00 N ATOM 73 CA LEU A 7 -5.469 -2.877 0.066 1.00 0.00 C ATOM 74 C LEU A 7 -4.151 -2.168 -0.201 1.00 0.00 C ATOM 75 O LEU A 7 -3.169 -2.386 0.488 1.00 0.00 O ATOM 76 CB LEU A 7 -5.602 -4.080 -0.891 1.00 0.00 C ATOM 77 CG LEU A 7 -7.031 -4.602 -1.087 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.042 -5.741 -2.114 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.670 -5.084 0.222 1.00 0.00 C ATOM 0 H LEU A 7 -7.172 -2.098 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.503 -3.267 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.199 -3.797 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.983 -4.894 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.625 -3.764 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.062 -6.103 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.662 -5.375 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.410 -6.556 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.680 -5.442 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.073 -5.894 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.711 -4.258 0.932 1.00 0.00 H new ATOM 91 N PHE A 8 -4.131 -1.313 -1.210 1.00 0.00 N ATOM 92 CA PHE A 8 -2.902 -0.716 -1.720 1.00 0.00 C ATOM 93 C PHE A 8 -2.260 0.222 -0.703 1.00 0.00 C ATOM 94 O PHE A 8 -1.073 0.120 -0.402 1.00 0.00 O ATOM 95 CB PHE A 8 -3.257 0.089 -2.959 1.00 0.00 C ATOM 96 CG PHE A 8 -2.128 0.184 -3.965 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.141 1.180 -3.837 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.042 -0.755 -5.011 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.076 1.238 -4.754 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.977 -0.695 -5.928 1.00 0.00 C ATOM 101 CZ PHE A 8 0.006 0.301 -5.799 1.00 0.00 C ATOM 0 H PHE A 8 -4.971 -1.010 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.191 -1.513 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.124 -0.364 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.549 1.095 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.202 1.900 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.795 -1.523 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.680 2.003 -4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.915 -1.414 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.824 0.347 -6.502 1.00 0.00 H new ATOM 111 N LEU A 9 -3.069 1.127 -0.151 1.00 0.00 N ATOM 112 CA LEU A 9 -2.611 2.028 0.899 1.00 0.00 C ATOM 113 C LEU A 9 -2.598 1.299 2.239 1.00 0.00 C ATOM 114 O LEU A 9 -1.894 1.715 3.155 1.00 0.00 O ATOM 115 CB LEU A 9 -3.477 3.304 0.930 1.00 0.00 C ATOM 116 CG LEU A 9 -4.927 3.124 1.446 1.00 0.00 C ATOM 117 CD1 LEU A 9 -5.060 3.424 2.946 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.886 4.053 0.690 1.00 0.00 C ATOM 0 H LEU A 9 -4.046 1.253 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.589 2.345 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.978 4.044 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.519 3.716 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.183 2.078 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.096 3.282 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.417 2.748 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.761 4.454 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.900 3.913 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.583 5.089 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.857 3.818 -0.374 1.00 0.00 H new ATOM 130 N GLY A 10 -3.406 0.239 2.349 1.00 0.00 N ATOM 131 CA GLY A 10 -3.696 -0.389 3.639 1.00 0.00 C ATOM 132 C GLY A 10 -2.912 -1.672 3.855 1.00 0.00 C ATOM 133 O GLY A 10 -1.920 -1.688 4.574 1.00 0.00 O ATOM 0 H GLY A 10 -3.872 -0.202 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.465 0.313 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.763 -0.605 3.702 1.00 0.00 H new ATOM 137 N PHE A 11 -3.384 -2.755 3.241 1.00 0.00 N ATOM 138 CA PHE A 11 -2.824 -4.099 3.336 1.00 0.00 C ATOM 139 C PHE A 11 -1.343 -4.133 2.914 1.00 0.00 C ATOM 140 O PHE A 11 -0.495 -4.647 3.641 1.00 0.00 O ATOM 141 CB PHE A 11 -3.687 -5.021 2.453 1.00 0.00 C ATOM 142 CG PHE A 11 -3.310 -6.487 2.542 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.876 -7.304 3.539 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.379 -7.033 1.637 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.512 -8.659 3.630 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.014 -8.387 1.730 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.581 -9.201 2.726 1.00 0.00 C ATOM 0 H PHE A 11 -4.205 -2.716 2.636 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.844 -4.440 4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.733 -4.907 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.603 -4.697 1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.591 -6.890 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.944 -6.410 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.948 -9.284 4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.298 -8.802 1.036 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.302 -10.242 2.797 1.00 0.00 H new ATOM 157 N LEU A 12 -1.030 -3.541 1.758 1.00 0.00 N ATOM 158 CA LEU A 12 0.313 -3.363 1.220 1.00 0.00 C ATOM 159 C LEU A 12 1.083 -2.342 2.063 1.00 0.00 C ATOM 160 O LEU A 12 2.233 -2.595 2.410 1.00 0.00 O ATOM 161 CB LEU A 12 0.195 -2.962 -0.264 1.00 0.00 C ATOM 162 CG LEU A 12 1.411 -2.232 -0.867 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.661 -3.122 -0.897 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.096 -1.788 -2.302 1.00 0.00 C ATOM 0 H LEU A 12 -1.747 -3.155 1.144 1.00 0.00 H new ATOM 0 HA LEU A 12 0.884 -4.290 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.011 -3.863 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.680 -2.323 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 12 1.614 -1.370 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.493 -2.566 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.916 -3.425 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.463 -4.007 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.960 -1.273 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.864 -2.662 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.240 -1.113 -2.294 1.00 0.00 H new ATOM 176 N GLY A 13 0.457 -1.230 2.458 1.00 0.00 N ATOM 177 CA GLY A 13 1.155 -0.197 3.221 1.00 0.00 C ATOM 178 C GLY A 13 1.522 -0.673 4.633 1.00 0.00 C ATOM 179 O GLY A 13 2.560 -0.273 5.154 1.00 0.00 O ATOM 0 H GLY A 13 -0.523 -1.025 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.061 0.095 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.526 0.690 3.290 1.00 0.00 H new ATOM 183 N ALA A 14 0.755 -1.599 5.222 1.00 0.00 N ATOM 184 CA ALA A 14 1.115 -2.284 6.459 1.00 0.00 C ATOM 185 C ALA A 14 2.364 -3.162 6.291 1.00 0.00 C ATOM 186 O ALA A 14 3.099 -3.354 7.257 1.00 0.00 O ATOM 187 CB ALA A 14 -0.072 -3.121 6.948 1.00 0.00 C ATOM 0 H ALA A 14 -0.145 -1.894 4.843 1.00 0.00 H new ATOM 0 HA ALA A 14 1.358 -1.527 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.199 -3.632 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.926 -2.469 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.334 -3.858 6.189 1.00 0.00 H new ATOM 193 N ALA A 15 2.649 -3.655 5.077 1.00 0.00 N ATOM 194 CA ALA A 15 3.913 -4.304 4.731 1.00 0.00 C ATOM 195 C ALA A 15 5.047 -3.323 4.445 1.00 0.00 C ATOM 196 O ALA A 15 6.050 -3.744 3.853 1.00 0.00 O ATOM 197 CB ALA A 15 3.762 -5.242 3.535 1.00 0.00 C ATOM 0 H ALA A 15 1.993 -3.611 4.297 1.00 0.00 H new ATOM 0 HA ALA A 15 4.180 -4.876 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.724 -5.704 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.033 -6.018 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.421 -4.675 2.669 1.00 0.00 H new ATOM 203 N GLY A 16 4.895 -2.050 4.833 1.00 0.00 N ATOM 204 CA GLY A 16 5.706 -0.896 4.453 1.00 0.00 C ATOM 205 C GLY A 16 7.051 -0.915 5.174 1.00 0.00 C ATOM 206 O GLY A 16 7.405 -0.008 5.918 1.00 0.00 O ATOM 0 H GLY A 16 4.143 -1.785 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.867 -0.898 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.173 0.024 4.694 1.00 0.00 H new ATOM 210 N SER A 17 7.748 -2.024 4.954 1.00 0.00 N ATOM 211 CA SER A 17 8.981 -2.475 5.561 1.00 0.00 C ATOM 212 C SER A 17 10.187 -1.877 4.823 1.00 0.00 C ATOM 213 O SER A 17 10.542 -0.727 5.061 1.00 0.00 O ATOM 214 CB SER A 17 8.942 -4.016 5.570 1.00 0.00 C ATOM 215 OG SER A 17 8.621 -4.542 4.285 1.00 0.00 O ATOM 0 H SER A 17 7.419 -2.701 4.266 1.00 0.00 H new ATOM 0 HA SER A 17 9.087 -2.132 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.909 -4.403 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.205 -4.357 6.297 1.00 0.00 H new ATOM 0 HG SER A 17 7.663 -4.424 4.113 1.00 0.00 H new ATOM 221 N THR A 18 10.832 -2.650 3.940 1.00 0.00 N ATOM 222 CA THR A 18 11.959 -2.186 3.132 1.00 0.00 C ATOM 223 C THR A 18 11.529 -1.597 1.782 1.00 0.00 C ATOM 224 O THR A 18 12.362 -0.977 1.120 1.00 0.00 O ATOM 225 CB THR A 18 12.999 -3.310 2.961 1.00 0.00 C ATOM 226 OG1 THR A 18 14.140 -2.799 2.303 1.00 0.00 O ATOM 227 CG2 THR A 18 12.480 -4.526 2.182 1.00 0.00 C ATOM 0 H THR A 18 10.581 -3.624 3.767 1.00 0.00 H new ATOM 0 HA THR A 18 12.425 -1.364 3.675 1.00 0.00 H new ATOM 0 HB THR A 18 13.238 -3.658 3.966 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.877 -2.053 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.270 -5.273 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.625 -4.955 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.175 -4.215 1.183 1.00 0.00 H new ATOM 235 N VAL A 19 10.306 -1.885 1.317 1.00 0.00 N ATOM 236 CA VAL A 19 9.659 -1.202 0.198 1.00 0.00 C ATOM 237 C VAL A 19 9.820 0.325 0.264 1.00 0.00 C ATOM 238 O VAL A 19 9.891 0.904 1.349 1.00 0.00 O ATOM 239 CB VAL A 19 8.188 -1.645 0.044 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.094 -3.140 -0.300 1.00 0.00 C ATOM 241 CG2 VAL A 19 7.342 -1.365 1.291 1.00 0.00 C ATOM 0 H VAL A 19 9.727 -2.620 1.723 1.00 0.00 H new ATOM 0 HA VAL A 19 10.178 -1.509 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 19 7.785 -1.048 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.047 -3.425 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.616 -3.331 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.553 -3.726 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.319 -1.699 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.761 -1.901 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.344 -0.295 1.499 1.00 0.00 H new ATOM 251 N GLY A 20 9.745 0.993 -0.893 1.00 0.00 N ATOM 252 CA GLY A 20 9.635 2.444 -0.976 1.00 0.00 C ATOM 253 C GLY A 20 8.221 2.889 -0.603 1.00 0.00 C ATOM 254 O GLY A 20 7.455 3.294 -1.475 1.00 0.00 O ATOM 0 H GLY A 20 9.760 0.532 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.359 2.910 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.874 2.777 -1.986 1.00 0.00 H new ATOM 258 N ALA A 21 7.869 2.772 0.682 1.00 0.00 N ATOM 259 CA ALA A 21 6.579 3.181 1.220 1.00 0.00 C ATOM 260 C ALA A 21 6.358 4.675 0.962 1.00 0.00 C ATOM 261 O ALA A 21 7.180 5.504 1.351 1.00 0.00 O ATOM 262 CB ALA A 21 6.520 2.858 2.718 1.00 0.00 C ATOM 0 H ALA A 21 8.492 2.380 1.388 1.00 0.00 H new ATOM 0 HA ALA A 21 5.780 2.632 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.554 3.165 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.649 1.786 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.315 3.394 3.237 1.00 0.00 H new ATOM 268 N ALA A 22 5.242 5.022 0.310 1.00 0.00 N ATOM 269 CA ALA A 22 4.943 6.391 -0.112 1.00 0.00 C ATOM 270 C ALA A 22 4.832 7.369 1.067 1.00 0.00 C ATOM 271 O ALA A 22 5.092 8.558 0.903 1.00 0.00 O ATOM 272 CB ALA A 22 3.651 6.396 -0.936 1.00 0.00 C ATOM 0 H ALA A 22 4.515 4.352 0.059 1.00 0.00 H new ATOM 0 HA ALA A 22 5.778 6.738 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.425 7.414 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.777 5.763 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.830 6.014 -0.328 1.00 0.00 H new ATOM 278 N SER A 23 4.436 6.877 2.243 1.00 0.00 N ATOM 279 CA SER A 23 4.384 7.606 3.503 1.00 0.00 C ATOM 280 C SER A 23 5.767 7.906 4.099 1.00 0.00 C ATOM 281 O SER A 23 5.854 8.712 5.026 1.00 0.00 O ATOM 282 CB SER A 23 3.592 6.731 4.488 1.00 0.00 C ATOM 283 OG SER A 23 3.976 5.366 4.384 1.00 0.00 O ATOM 0 H SER A 23 4.128 5.910 2.342 1.00 0.00 H new ATOM 0 HA SER A 23 3.918 8.574 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.759 7.082 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.525 6.828 4.288 1.00 0.00 H new ATOM 0 HG SER A 23 4.952 5.296 4.432 1.00 0.00 H new ATOM 289 N GLY A 24 6.823 7.229 3.630 1.00 0.00 N ATOM 290 CA GLY A 24 7.864 6.761 4.535 1.00 0.00 C ATOM 291 C GLY A 24 7.287 5.725 5.502 1.00 0.00 C ATOM 292 O GLY A 24 6.196 5.179 5.196 1.00 0.00 O ATOM 0 H GLY A 24 6.972 7.000 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.683 6.323 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.278 7.601 5.093 1.00 0.00 H new TER 296 GLY A 24