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+ 135:sc= 0.0324 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 23 SER OG : rot 34:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.987 5.570 -1.380 1.00 0.00 N ATOM 2 CA ALA A 1 -9.559 4.165 -1.257 1.00 0.00 C ATOM 3 C ALA A 1 -10.726 3.365 -0.688 1.00 0.00 C ATOM 4 O ALA A 1 -11.299 3.815 0.300 1.00 0.00 O ATOM 5 CB ALA A 1 -8.326 4.072 -0.351 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.237 6.194 -1.019 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.170 5.791 -2.380 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.856 5.718 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.282 3.759 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.016 3.031 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.514 4.658 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.571 4.461 0.638 1.00 0.00 H new ATOM 13 N VAL A 2 -11.123 2.256 -1.333 1.00 0.00 N ATOM 14 CA VAL A 2 -12.337 1.515 -0.964 1.00 0.00 C ATOM 15 C VAL A 2 -12.098 -0.002 -1.045 1.00 0.00 C ATOM 16 O VAL A 2 -12.032 -0.660 -0.013 1.00 0.00 O ATOM 17 CB VAL A 2 -13.556 1.974 -1.814 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.854 1.319 -1.318 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.765 3.499 -1.811 1.00 0.00 C ATOM 0 H VAL A 2 -10.615 1.851 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.579 1.743 0.074 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.326 1.659 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.690 1.658 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.766 0.235 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.029 1.599 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.632 3.749 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.931 3.841 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.880 3.988 -2.218 1.00 0.00 H new ATOM 29 N GLY A 3 -12.048 -0.566 -2.258 1.00 0.00 N ATOM 30 CA GLY A 3 -11.748 -1.962 -2.533 1.00 0.00 C ATOM 31 C GLY A 3 -10.245 -2.201 -2.568 1.00 0.00 C ATOM 32 O GLY A 3 -9.536 -2.032 -1.581 1.00 0.00 O ATOM 0 H GLY A 3 -12.225 -0.031 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.202 -2.593 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.188 -2.251 -3.487 1.00 0.00 H new ATOM 36 N ILE A 4 -9.747 -2.507 -3.768 1.00 0.00 N ATOM 37 CA ILE A 4 -8.336 -2.817 -4.021 1.00 0.00 C ATOM 38 C ILE A 4 -7.442 -1.648 -3.581 1.00 0.00 C ATOM 39 O ILE A 4 -6.356 -1.862 -3.052 1.00 0.00 O ATOM 40 CB ILE A 4 -8.122 -3.192 -5.510 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.067 -4.316 -6.003 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.658 -3.579 -5.792 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.985 -5.639 -5.227 1.00 0.00 C ATOM 0 H ILE A 4 -10.324 -2.547 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.049 -3.684 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.370 -2.292 -6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.093 -3.951 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.848 -4.516 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.546 -3.836 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.007 -2.739 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.384 -4.437 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.687 -6.355 -5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.973 -6.038 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.237 -5.464 -4.181 1.00 0.00 H new ATOM 55 N GLY A 5 -7.932 -0.411 -3.716 1.00 0.00 N ATOM 56 CA GLY A 5 -7.219 0.795 -3.317 1.00 0.00 C ATOM 57 C GLY A 5 -7.018 0.859 -1.804 1.00 0.00 C ATOM 58 O GLY A 5 -6.015 1.398 -1.338 1.00 0.00 O ATOM 0 H GLY A 5 -8.852 -0.223 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.250 0.826 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.775 1.672 -3.648 1.00 0.00 H new ATOM 62 N ALA A 6 -7.962 0.314 -1.028 1.00 0.00 N ATOM 63 CA ALA A 6 -7.816 0.182 0.412 1.00 0.00 C ATOM 64 C ALA A 6 -6.738 -0.841 0.763 1.00 0.00 C ATOM 65 O ALA A 6 -6.028 -0.643 1.740 1.00 0.00 O ATOM 66 CB ALA A 6 -9.167 -0.158 1.035 1.00 0.00 C ATOM 0 H ALA A 6 -8.846 -0.046 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.484 1.132 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.055 -0.257 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.880 0.637 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.533 -1.098 0.621 1.00 0.00 H new ATOM 72 N LEU A 7 -6.549 -1.897 -0.038 1.00 0.00 N ATOM 73 CA LEU A 7 -5.413 -2.803 0.115 1.00 0.00 C ATOM 74 C LEU A 7 -4.132 -2.064 -0.243 1.00 0.00 C ATOM 75 O LEU A 7 -3.113 -2.220 0.406 1.00 0.00 O ATOM 76 CB LEU A 7 -5.534 -4.060 -0.770 1.00 0.00 C ATOM 77 CG LEU A 7 -6.945 -4.650 -0.867 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.952 -5.846 -1.827 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.498 -5.084 0.498 1.00 0.00 C ATOM 0 H LEU A 7 -7.176 -2.143 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.397 -3.133 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.190 -3.813 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.862 -4.825 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.593 -3.860 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.959 -6.257 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.632 -5.520 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.269 -6.612 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.500 -5.494 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.847 -5.844 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.541 -4.222 1.164 1.00 0.00 H new ATOM 91 N PHE A 8 -4.189 -1.245 -1.280 1.00 0.00 N ATOM 92 CA PHE A 8 -3.021 -0.574 -1.849 1.00 0.00 C ATOM 93 C PHE A 8 -2.382 0.404 -0.865 1.00 0.00 C ATOM 94 O PHE A 8 -1.180 0.399 -0.620 1.00 0.00 O ATOM 95 CB PHE A 8 -3.504 0.220 -3.053 1.00 0.00 C ATOM 96 CG PHE A 8 -2.492 0.321 -4.174 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.515 1.335 -4.165 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.508 -0.627 -5.216 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.565 1.405 -5.199 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.557 -0.555 -6.250 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.586 0.462 -6.242 1.00 0.00 C ATOM 0 H PHE A 8 -5.060 -1.021 -1.761 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.275 -1.326 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.412 -0.243 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.772 1.225 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.495 2.059 -3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.252 -1.410 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.182 2.185 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.573 -1.281 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.143 0.519 -7.037 1.00 0.00 H new ATOM 111 N LEU A 9 -3.228 1.248 -0.283 1.00 0.00 N ATOM 112 CA LEU A 9 -2.848 2.184 0.757 1.00 0.00 C ATOM 113 C LEU A 9 -2.594 1.397 2.038 1.00 0.00 C ATOM 114 O LEU A 9 -1.714 1.734 2.824 1.00 0.00 O ATOM 115 CB LEU A 9 -4.012 3.189 0.918 1.00 0.00 C ATOM 116 CG LEU A 9 -4.111 3.894 2.283 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.927 4.833 2.548 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.415 4.701 2.353 1.00 0.00 C ATOM 0 H LEU A 9 -4.216 1.298 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.938 2.733 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.918 3.951 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.949 2.662 0.735 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.096 3.117 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.047 5.304 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.999 4.262 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.892 5.602 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.483 5.199 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.424 5.447 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.265 4.030 2.230 1.00 0.00 H new ATOM 130 N GLY A 10 -3.417 0.374 2.247 1.00 0.00 N ATOM 131 CA GLY A 10 -3.627 -0.194 3.578 1.00 0.00 C ATOM 132 C GLY A 10 -2.816 -1.459 3.812 1.00 0.00 C ATOM 133 O GLY A 10 -1.885 -1.457 4.607 1.00 0.00 O ATOM 0 H GLY A 10 -3.953 -0.082 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.361 0.548 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.686 -0.417 3.710 1.00 0.00 H new ATOM 137 N PHE A 11 -3.180 -2.545 3.132 1.00 0.00 N ATOM 138 CA PHE A 11 -2.543 -3.853 3.235 1.00 0.00 C ATOM 139 C PHE A 11 -1.079 -3.798 2.759 1.00 0.00 C ATOM 140 O PHE A 11 -0.169 -4.217 3.474 1.00 0.00 O ATOM 141 CB PHE A 11 -3.381 -4.831 2.387 1.00 0.00 C ATOM 142 CG PHE A 11 -2.958 -6.281 2.508 1.00 0.00 C ATOM 143 CD1 PHE A 11 -1.979 -6.808 1.642 1.00 0.00 C ATOM 144 CD2 PHE A 11 -3.539 -7.106 3.489 1.00 0.00 C ATOM 145 CE1 PHE A 11 -1.588 -8.154 1.757 1.00 0.00 C ATOM 146 CE2 PHE A 11 -3.149 -8.453 3.601 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.174 -8.977 2.735 1.00 0.00 C ATOM 0 H PHE A 11 -3.956 -2.536 2.470 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.510 -4.186 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.427 -4.744 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.318 -4.532 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.529 -6.178 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.286 -6.704 4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.837 -8.556 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.599 -9.085 4.353 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.875 -10.011 2.821 1.00 0.00 H new ATOM 157 N LEU A 12 -0.849 -3.213 1.580 1.00 0.00 N ATOM 158 CA LEU A 12 0.459 -2.956 0.989 1.00 0.00 C ATOM 159 C LEU A 12 1.210 -1.921 1.828 1.00 0.00 C ATOM 160 O LEU A 12 2.386 -2.130 2.111 1.00 0.00 O ATOM 161 CB LEU A 12 0.267 -2.545 -0.487 1.00 0.00 C ATOM 162 CG LEU A 12 1.386 -1.687 -1.112 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.715 -2.447 -1.197 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.992 -1.257 -2.533 1.00 0.00 C ATOM 0 H LEU A 12 -1.612 -2.891 0.985 1.00 0.00 H new ATOM 0 HA LEU A 12 1.079 -3.852 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.159 -3.451 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.671 -1.996 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 12 1.516 -0.819 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.474 -1.804 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.031 -2.740 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.586 -3.337 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.789 -0.652 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.834 -2.141 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.073 -0.672 -2.494 1.00 0.00 H new ATOM 176 N GLY A 13 0.543 -0.859 2.299 1.00 0.00 N ATOM 177 CA GLY A 13 1.232 0.141 3.112 1.00 0.00 C ATOM 178 C GLY A 13 1.642 -0.419 4.480 1.00 0.00 C ATOM 179 O GLY A 13 2.742 -0.124 4.946 1.00 0.00 O ATOM 0 H GLY A 13 -0.447 -0.676 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.118 0.492 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.582 1.005 3.253 1.00 0.00 H new ATOM 183 N ALA A 14 0.826 -1.284 5.097 1.00 0.00 N ATOM 184 CA ALA A 14 1.200 -2.033 6.294 1.00 0.00 C ATOM 185 C ALA A 14 2.383 -2.964 6.014 1.00 0.00 C ATOM 186 O ALA A 14 3.282 -3.074 6.845 1.00 0.00 O ATOM 187 CB ALA A 14 -0.002 -2.827 6.821 1.00 0.00 C ATOM 0 H ALA A 14 -0.120 -1.482 4.772 1.00 0.00 H new ATOM 0 HA ALA A 14 1.510 -1.321 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.291 -3.381 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.811 -2.140 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.341 -3.525 6.056 1.00 0.00 H new ATOM 193 N ALA A 15 2.427 -3.586 4.829 1.00 0.00 N ATOM 194 CA ALA A 15 3.575 -4.355 4.354 1.00 0.00 C ATOM 195 C ALA A 15 4.751 -3.501 3.877 1.00 0.00 C ATOM 196 O ALA A 15 5.671 -4.029 3.252 1.00 0.00 O ATOM 197 CB ALA A 15 3.162 -5.329 3.255 1.00 0.00 C ATOM 0 H ALA A 15 1.652 -3.566 4.166 1.00 0.00 H new ATOM 0 HA ALA A 15 3.930 -4.905 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.034 -5.889 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.414 -6.021 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.742 -4.774 2.416 1.00 0.00 H new ATOM 203 N GLY A 16 4.773 -2.210 4.209 1.00 0.00 N ATOM 204 CA GLY A 16 5.817 -1.264 3.834 1.00 0.00 C ATOM 205 C GLY A 16 7.090 -1.470 4.658 1.00 0.00 C ATOM 206 O GLY A 16 7.727 -0.500 5.069 1.00 0.00 O ATOM 0 H GLY A 16 4.035 -1.781 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.047 -1.377 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.453 -0.246 3.974 1.00 0.00 H new ATOM 210 N SER A 17 7.459 -2.733 4.898 1.00 0.00 N ATOM 211 CA SER A 17 8.728 -3.102 5.508 1.00 0.00 C ATOM 212 C SER A 17 9.850 -2.674 4.564 1.00 0.00 C ATOM 213 O SER A 17 9.820 -3.003 3.379 1.00 0.00 O ATOM 214 CB SER A 17 8.759 -4.615 5.746 1.00 0.00 C ATOM 215 OG SER A 17 9.960 -4.992 6.392 1.00 0.00 O ATOM 0 H SER A 17 6.871 -3.535 4.668 1.00 0.00 H new ATOM 0 HA SER A 17 8.856 -2.607 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.904 -4.911 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.671 -5.140 4.795 1.00 0.00 H new ATOM 0 HG SER A 17 9.963 -5.961 6.538 1.00 0.00 H new ATOM 221 N THR A 18 10.853 -1.962 5.083 1.00 0.00 N ATOM 222 CA THR A 18 11.936 -1.375 4.298 1.00 0.00 C ATOM 223 C THR A 18 12.866 -2.431 3.690 1.00 0.00 C ATOM 224 O THR A 18 13.565 -2.136 2.725 1.00 0.00 O ATOM 225 CB THR A 18 12.726 -0.413 5.202 1.00 0.00 C ATOM 226 OG1 THR A 18 12.953 -1.007 6.469 1.00 0.00 O ATOM 227 CG2 THR A 18 11.965 0.898 5.425 1.00 0.00 C ATOM 0 H THR A 18 10.935 -1.775 6.082 1.00 0.00 H new ATOM 0 HA THR A 18 11.499 -0.837 3.457 1.00 0.00 H new ATOM 0 HB THR A 18 13.671 -0.203 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.458 -0.387 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.552 1.554 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.794 1.387 4.466 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.007 0.686 5.900 1.00 0.00 H new ATOM 235 N VAL A 19 12.891 -3.647 4.250 1.00 0.00 N ATOM 236 CA VAL A 19 13.351 -4.868 3.587 1.00 0.00 C ATOM 237 C VAL A 19 12.812 -4.978 2.150 1.00 0.00 C ATOM 238 O VAL A 19 13.567 -5.299 1.235 1.00 0.00 O ATOM 239 CB VAL A 19 13.025 -6.110 4.449 1.00 0.00 C ATOM 240 CG1 VAL A 19 13.636 -7.387 3.850 1.00 0.00 C ATOM 241 CG2 VAL A 19 13.551 -5.960 5.889 1.00 0.00 C ATOM 0 H VAL A 19 12.581 -3.810 5.208 1.00 0.00 H new ATOM 0 HA VAL A 19 14.436 -4.818 3.492 1.00 0.00 H new ATOM 0 HB VAL A 19 11.938 -6.190 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.387 -8.240 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.235 -7.547 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.719 -7.281 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.302 -6.853 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.633 -5.831 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.091 -5.089 6.356 1.00 0.00 H new ATOM 251 N GLY A 20 11.496 -4.789 1.988 1.00 0.00 N ATOM 252 CA GLY A 20 10.761 -4.850 0.734 1.00 0.00 C ATOM 253 C GLY A 20 10.593 -3.459 0.129 1.00 0.00 C ATOM 254 O GLY A 20 11.435 -2.578 0.314 1.00 0.00 O ATOM 0 H GLY A 20 10.888 -4.578 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.288 -5.495 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.782 -5.297 0.904 1.00 0.00 H new ATOM 258 N ALA A 21 9.490 -3.265 -0.604 1.00 0.00 N ATOM 259 CA ALA A 21 9.071 -2.061 -1.318 1.00 0.00 C ATOM 260 C ALA A 21 10.009 -1.702 -2.474 1.00 0.00 C ATOM 261 O ALA A 21 9.560 -1.639 -3.615 1.00 0.00 O ATOM 262 CB ALA A 21 8.817 -0.894 -0.352 1.00 0.00 C ATOM 0 H ALA A 21 8.810 -4.016 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 21 8.114 -2.283 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.507 -0.015 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.031 -1.169 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.732 -0.669 0.196 1.00 0.00 H new ATOM 268 N ALA A 22 11.306 -1.506 -2.214 1.00 0.00 N ATOM 269 CA ALA A 22 12.304 -1.214 -3.239 1.00 0.00 C ATOM 270 C ALA A 22 12.424 -2.367 -4.246 1.00 0.00 C ATOM 271 O ALA A 22 12.505 -2.135 -5.450 1.00 0.00 O ATOM 272 CB ALA A 22 13.649 -0.929 -2.561 1.00 0.00 C ATOM 0 H ALA A 22 11.694 -1.547 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 22 11.991 -0.334 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.400 -0.710 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.546 -0.073 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.959 -1.801 -1.986 1.00 0.00 H new ATOM 278 N SER A 23 12.413 -3.608 -3.753 1.00 0.00 N ATOM 279 CA SER A 23 12.331 -4.846 -4.520 1.00 0.00 C ATOM 280 C SER A 23 10.912 -5.182 -4.999 1.00 0.00 C ATOM 281 O SER A 23 10.737 -6.144 -5.747 1.00 0.00 O ATOM 282 CB SER A 23 12.812 -5.976 -3.597 1.00 0.00 C ATOM 283 OG SER A 23 12.263 -5.846 -2.294 1.00 0.00 O ATOM 0 H SER A 23 12.464 -3.782 -2.749 1.00 0.00 H new ATOM 0 HA SER A 23 12.941 -4.730 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.527 -6.940 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.900 -5.962 -3.539 1.00 0.00 H new ATOM 0 HG SER A 23 11.362 -5.466 -2.355 1.00 0.00 H new ATOM 289 N GLY A 24 9.902 -4.455 -4.508 1.00 0.00 N ATOM 290 CA GLY A 24 8.646 -5.079 -4.118 1.00 0.00 C ATOM 291 C GLY A 24 8.813 -5.516 -2.665 1.00 0.00 C ATOM 292 O GLY A 24 9.895 -6.065 -2.342 1.00 0.00 O ATOM 0 H GLY A 24 9.935 -3.444 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.817 -4.379 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.422 -5.933 -4.757 1.00 0.00 H new TER 296 GLY A 24