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= 0.144 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 23 SER OG : rot -35:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.772 3.627 -4.725 1.00 0.00 N ATOM 2 CA ALA A 1 -9.784 3.501 -3.253 1.00 0.00 C ATOM 3 C ALA A 1 -10.739 2.369 -2.846 1.00 0.00 C ATOM 4 O ALA A 1 -11.127 1.587 -3.713 1.00 0.00 O ATOM 5 CB ALA A 1 -10.145 4.853 -2.619 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.794 3.758 -5.054 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.168 2.765 -5.150 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.345 4.447 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.794 3.235 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.153 4.755 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.407 5.600 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.132 5.164 -2.962 1.00 0.00 H new ATOM 13 N VAL A 2 -11.111 2.290 -1.560 1.00 0.00 N ATOM 14 CA VAL A 2 -12.200 1.497 -0.971 1.00 0.00 C ATOM 15 C VAL A 2 -12.020 -0.027 -1.078 1.00 0.00 C ATOM 16 O VAL A 2 -11.958 -0.692 -0.049 1.00 0.00 O ATOM 17 CB VAL A 2 -13.585 1.983 -1.472 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.731 1.292 -0.717 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.760 3.503 -1.299 1.00 0.00 C ATOM 0 H VAL A 2 -10.616 2.824 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.152 1.684 0.102 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.623 1.727 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.687 1.656 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.668 0.214 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.652 1.514 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.744 3.800 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.670 3.762 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.990 4.025 -1.868 1.00 0.00 H new ATOM 29 N GLY A 3 -12.001 -0.588 -2.289 1.00 0.00 N ATOM 30 CA GLY A 3 -11.687 -1.982 -2.548 1.00 0.00 C ATOM 31 C GLY A 3 -10.177 -2.167 -2.606 1.00 0.00 C ATOM 32 O GLY A 3 -9.464 -1.971 -1.625 1.00 0.00 O ATOM 0 H GLY A 3 -12.211 -0.063 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.110 -2.611 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.138 -2.297 -3.489 1.00 0.00 H new ATOM 36 N ILE A 4 -9.675 -2.467 -3.807 1.00 0.00 N ATOM 37 CA ILE A 4 -8.264 -2.776 -4.053 1.00 0.00 C ATOM 38 C ILE A 4 -7.360 -1.624 -3.590 1.00 0.00 C ATOM 39 O ILE A 4 -6.277 -1.863 -3.060 1.00 0.00 O ATOM 40 CB ILE A 4 -8.040 -3.129 -5.545 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.996 -4.229 -6.068 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.579 -3.533 -5.816 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.960 -5.557 -5.297 1.00 0.00 C ATOM 0 H ILE A 4 -10.248 -2.503 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.990 -3.651 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.269 -2.216 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.015 -3.842 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.756 -4.429 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.458 -3.774 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.918 -2.706 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.325 -4.405 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.666 -6.257 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.955 -5.977 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.234 -5.381 -4.257 1.00 0.00 H new ATOM 55 N GLY A 5 -7.824 -0.376 -3.714 1.00 0.00 N ATOM 56 CA GLY A 5 -7.052 0.792 -3.320 1.00 0.00 C ATOM 57 C GLY A 5 -6.905 0.895 -1.803 1.00 0.00 C ATOM 58 O GLY A 5 -5.899 1.418 -1.328 1.00 0.00 O ATOM 0 H GLY A 5 -8.746 -0.154 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.064 0.745 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.536 1.692 -3.699 1.00 0.00 H new ATOM 62 N ALA A 6 -7.881 0.382 -1.041 1.00 0.00 N ATOM 63 CA ALA A 6 -7.754 0.280 0.403 1.00 0.00 C ATOM 64 C ALA A 6 -6.694 -0.757 0.776 1.00 0.00 C ATOM 65 O ALA A 6 -5.977 -0.551 1.746 1.00 0.00 O ATOM 66 CB ALA A 6 -9.106 -0.060 1.024 1.00 0.00 C ATOM 0 H ALA A 6 -8.765 0.033 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.430 1.242 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.001 -0.134 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.825 0.723 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.459 -1.012 0.628 1.00 0.00 H new ATOM 72 N LEU A 7 -6.536 -1.837 0.000 1.00 0.00 N ATOM 73 CA LEU A 7 -5.435 -2.777 0.179 1.00 0.00 C ATOM 74 C LEU A 7 -4.124 -2.094 -0.176 1.00 0.00 C ATOM 75 O LEU A 7 -3.123 -2.277 0.493 1.00 0.00 O ATOM 76 CB LEU A 7 -5.588 -4.048 -0.685 1.00 0.00 C ATOM 77 CG LEU A 7 -7.018 -4.585 -0.818 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.045 -5.796 -1.758 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.631 -4.971 0.535 1.00 0.00 C ATOM 0 H LEU A 7 -7.167 -2.078 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.445 -3.086 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.203 -3.837 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.961 -4.833 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.621 -3.777 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.066 -6.167 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.683 -5.500 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.405 -6.582 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.643 -5.345 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.024 -5.747 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.661 -4.096 1.184 1.00 0.00 H new ATOM 91 N PHE A 8 -4.132 -1.292 -1.228 1.00 0.00 N ATOM 92 CA PHE A 8 -2.922 -0.697 -1.790 1.00 0.00 C ATOM 93 C PHE A 8 -2.262 0.286 -0.827 1.00 0.00 C ATOM 94 O PHE A 8 -1.069 0.230 -0.549 1.00 0.00 O ATOM 95 CB PHE A 8 -3.339 0.078 -3.025 1.00 0.00 C ATOM 96 CG PHE A 8 -2.223 0.268 -4.033 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.323 1.342 -3.903 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.056 -0.661 -5.079 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.260 1.487 -4.813 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.994 -0.514 -5.990 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.095 0.558 -5.856 1.00 0.00 C ATOM 0 H PHE A 8 -4.985 -1.031 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.208 -1.493 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.167 -0.442 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.711 1.056 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.449 2.056 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.744 -1.487 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.430 2.312 -4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.869 -1.225 -6.793 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.722 0.668 -6.554 1.00 0.00 H new ATOM 111 N LEU A 9 -3.081 1.189 -0.300 1.00 0.00 N ATOM 112 CA LEU A 9 -2.673 2.139 0.714 1.00 0.00 C ATOM 113 C LEU A 9 -2.473 1.379 2.022 1.00 0.00 C ATOM 114 O LEU A 9 -1.601 1.711 2.819 1.00 0.00 O ATOM 115 CB LEU A 9 -3.789 3.199 0.821 1.00 0.00 C ATOM 116 CG LEU A 9 -3.867 3.941 2.167 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.651 4.844 2.412 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.140 4.796 2.211 1.00 0.00 C ATOM 0 H LEU A 9 -4.060 1.278 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.736 2.640 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.647 3.933 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.747 2.713 0.637 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.882 3.183 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.757 5.344 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.744 4.240 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.587 5.591 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.193 5.321 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.119 5.522 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.014 4.154 2.101 1.00 0.00 H new ATOM 130 N GLY A 10 -3.335 0.390 2.243 1.00 0.00 N ATOM 131 CA GLY A 10 -3.579 -0.130 3.588 1.00 0.00 C ATOM 132 C GLY A 10 -2.817 -1.414 3.871 1.00 0.00 C ATOM 133 O GLY A 10 -1.882 -1.418 4.663 1.00 0.00 O ATOM 0 H GLY A 10 -3.876 -0.068 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.295 0.625 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.646 -0.311 3.714 1.00 0.00 H new ATOM 137 N PHE A 11 -3.229 -2.509 3.237 1.00 0.00 N ATOM 138 CA PHE A 11 -2.642 -3.836 3.389 1.00 0.00 C ATOM 139 C PHE A 11 -1.172 -3.850 2.929 1.00 0.00 C ATOM 140 O PHE A 11 -0.283 -4.274 3.666 1.00 0.00 O ATOM 141 CB PHE A 11 -3.509 -4.810 2.566 1.00 0.00 C ATOM 142 CG PHE A 11 -3.133 -6.269 2.729 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.719 -7.040 3.751 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.194 -6.860 1.860 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.372 -8.394 3.901 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.846 -8.214 2.012 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.437 -8.982 3.031 1.00 0.00 C ATOM 0 H PHE A 11 -4.009 -2.495 2.580 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.631 -4.137 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.552 -4.681 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.434 -4.543 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.437 -6.590 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.741 -6.272 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.824 -8.983 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.125 -8.664 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.173 -10.023 3.145 1.00 0.00 H new ATOM 157 N LEU A 12 -0.912 -3.311 1.734 1.00 0.00 N ATOM 158 CA LEU A 12 0.406 -3.124 1.141 1.00 0.00 C ATOM 159 C LEU A 12 1.194 -2.080 1.935 1.00 0.00 C ATOM 160 O LEU A 12 2.368 -2.307 2.209 1.00 0.00 O ATOM 161 CB LEU A 12 0.229 -2.767 -0.351 1.00 0.00 C ATOM 162 CG LEU A 12 1.378 -1.975 -1.009 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.675 -2.791 -1.067 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.000 -1.579 -2.444 1.00 0.00 C ATOM 0 H LEU A 12 -1.659 -2.977 1.125 1.00 0.00 H new ATOM 0 HA LEU A 12 0.994 -4.040 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.089 -3.693 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.689 -2.189 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 12 1.541 -1.089 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.458 -2.196 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.981 -3.060 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.509 -3.698 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.820 -1.021 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.806 -2.477 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.105 -0.957 -2.426 1.00 0.00 H new ATOM 176 N GLY A 13 0.565 -0.980 2.366 1.00 0.00 N ATOM 177 CA GLY A 13 1.281 0.034 3.136 1.00 0.00 C ATOM 178 C GLY A 13 1.676 -0.472 4.528 1.00 0.00 C ATOM 179 O GLY A 13 2.781 -0.180 4.982 1.00 0.00 O ATOM 0 H GLY A 13 -0.420 -0.775 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.176 0.336 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.655 0.921 3.237 1.00 0.00 H new ATOM 183 N ALA A 14 0.836 -1.285 5.184 1.00 0.00 N ATOM 184 CA ALA A 14 1.193 -1.986 6.415 1.00 0.00 C ATOM 185 C ALA A 14 2.357 -2.952 6.168 1.00 0.00 C ATOM 186 O ALA A 14 3.288 -3.007 6.968 1.00 0.00 O ATOM 187 CB ALA A 14 -0.029 -2.729 6.969 1.00 0.00 C ATOM 0 H ALA A 14 -0.116 -1.473 4.869 1.00 0.00 H new ATOM 0 HA ALA A 14 1.517 -1.255 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.246 -3.249 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.824 -2.014 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.379 -3.453 6.233 1.00 0.00 H new ATOM 193 N ALA A 15 2.345 -3.661 5.032 1.00 0.00 N ATOM 194 CA ALA A 15 3.465 -4.463 4.541 1.00 0.00 C ATOM 195 C ALA A 15 4.619 -3.646 3.956 1.00 0.00 C ATOM 196 O ALA A 15 5.468 -4.203 3.258 1.00 0.00 O ATOM 197 CB ALA A 15 2.985 -5.491 3.523 1.00 0.00 C ATOM 0 H ALA A 15 1.533 -3.691 4.415 1.00 0.00 H new ATOM 0 HA ALA A 15 3.867 -4.965 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.833 -6.077 3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.256 -6.153 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.522 -4.979 2.680 1.00 0.00 H new ATOM 203 N GLY A 16 4.674 -2.339 4.218 1.00 0.00 N ATOM 204 CA GLY A 16 5.663 -1.411 3.683 1.00 0.00 C ATOM 205 C GLY A 16 7.021 -1.574 4.369 1.00 0.00 C ATOM 206 O GLY A 16 7.667 -0.586 4.720 1.00 0.00 O ATOM 0 H GLY A 16 4.002 -1.883 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.774 -1.576 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.310 -0.388 3.813 1.00 0.00 H new ATOM 210 N SER A 17 7.440 -2.826 4.579 1.00 0.00 N ATOM 211 CA SER A 17 8.692 -3.218 5.211 1.00 0.00 C ATOM 212 C SER A 17 9.897 -2.835 4.339 1.00 0.00 C ATOM 213 O SER A 17 10.462 -3.667 3.629 1.00 0.00 O ATOM 214 CB SER A 17 8.649 -4.722 5.511 1.00 0.00 C ATOM 215 OG SER A 17 7.498 -5.046 6.272 1.00 0.00 O ATOM 0 H SER A 17 6.882 -3.631 4.296 1.00 0.00 H new ATOM 0 HA SER A 17 8.812 -2.680 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.645 -5.285 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.546 -5.015 6.056 1.00 0.00 H new ATOM 0 HG SER A 17 7.486 -6.009 6.453 1.00 0.00 H new ATOM 221 N THR A 18 10.292 -1.561 4.401 1.00 0.00 N ATOM 222 CA THR A 18 11.507 -1.046 3.781 1.00 0.00 C ATOM 223 C THR A 18 12.749 -1.619 4.487 1.00 0.00 C ATOM 224 O THR A 18 12.686 -2.069 5.630 1.00 0.00 O ATOM 225 CB THR A 18 11.475 0.501 3.788 1.00 0.00 C ATOM 226 OG1 THR A 18 12.671 1.028 3.244 1.00 0.00 O ATOM 227 CG2 THR A 18 11.261 1.124 5.174 1.00 0.00 C ATOM 0 H THR A 18 9.761 -0.845 4.896 1.00 0.00 H new ATOM 0 HA THR A 18 11.562 -1.367 2.741 1.00 0.00 H new ATOM 0 HB THR A 18 10.612 0.764 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.632 2.007 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.252 2.210 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.309 0.785 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.070 0.820 5.838 1.00 0.00 H new ATOM 235 N VAL A 19 13.888 -1.590 3.783 1.00 0.00 N ATOM 236 CA VAL A 19 15.243 -1.716 4.322 1.00 0.00 C ATOM 237 C VAL A 19 15.478 -0.898 5.597 1.00 0.00 C ATOM 238 O VAL A 19 16.172 -1.349 6.506 1.00 0.00 O ATOM 239 CB VAL A 19 16.287 -1.357 3.243 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.483 -2.535 2.277 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.974 -0.087 2.427 1.00 0.00 C ATOM 0 H VAL A 19 13.886 -1.472 2.770 1.00 0.00 H new ATOM 0 HA VAL A 19 15.361 -2.760 4.611 1.00 0.00 H new ATOM 0 HB VAL A 19 17.199 -1.144 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.222 -2.267 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.831 -3.406 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.536 -2.768 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.765 0.080 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.023 -0.212 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.912 0.770 3.097 1.00 0.00 H new ATOM 251 N GLY A 20 14.962 0.332 5.606 1.00 0.00 N ATOM 252 CA GLY A 20 15.185 1.327 6.643 1.00 0.00 C ATOM 253 C GLY A 20 14.214 1.202 7.814 1.00 0.00 C ATOM 254 O GLY A 20 13.465 0.232 7.939 1.00 0.00 O ATOM 0 H GLY A 20 14.354 0.670 4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.206 1.233 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.094 2.322 6.208 1.00 0.00 H new ATOM 258 N ALA A 21 14.222 2.211 8.684 1.00 0.00 N ATOM 259 CA ALA A 21 13.129 2.454 9.609 1.00 0.00 C ATOM 260 C ALA A 21 11.973 3.120 8.851 1.00 0.00 C ATOM 261 O ALA A 21 12.121 3.563 7.711 1.00 0.00 O ATOM 262 CB ALA A 21 13.630 3.357 10.745 1.00 0.00 C ATOM 0 H ALA A 21 14.988 2.880 8.763 1.00 0.00 H new ATOM 0 HA ALA A 21 12.772 1.517 10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.816 3.546 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.451 2.864 11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.979 4.303 10.331 1.00 0.00 H new ATOM 268 N ALA A 22 10.835 3.302 9.530 1.00 0.00 N ATOM 269 CA ALA A 22 9.715 4.067 8.987 1.00 0.00 C ATOM 270 C ALA A 22 10.115 5.527 8.712 1.00 0.00 C ATOM 271 O ALA A 22 9.539 6.165 7.834 1.00 0.00 O ATOM 272 CB ALA A 22 8.540 4.008 9.967 1.00 0.00 C ATOM 0 H ALA A 22 10.668 2.925 10.463 1.00 0.00 H new ATOM 0 HA ALA A 22 9.419 3.625 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.702 4.578 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.238 2.971 10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.843 4.433 10.924 1.00 0.00 H new ATOM 278 N SER A 23 11.084 6.056 9.470 1.00 0.00 N ATOM 279 CA SER A 23 11.641 7.388 9.278 1.00 0.00 C ATOM 280 C SER A 23 12.664 7.484 8.133 1.00 0.00 C ATOM 281 O SER A 23 13.082 8.609 7.847 1.00 0.00 O ATOM 282 CB SER A 23 12.280 7.870 10.586 1.00 0.00 C ATOM 283 OG SER A 23 12.659 9.226 10.457 1.00 0.00 O ATOM 0 H SER A 23 11.508 5.553 10.250 1.00 0.00 H new ATOM 0 HA SER A 23 10.807 8.029 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.576 7.755 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.151 7.259 10.824 1.00 0.00 H new ATOM 0 HG SER A 23 12.960 9.396 9.540 1.00 0.00 H new ATOM 289 N GLY A 24 13.129 6.373 7.545 1.00 0.00 N ATOM 290 CA GLY A 24 14.236 6.373 6.597 1.00 0.00 C ATOM 291 C GLY A 24 15.043 5.091 6.705 1.00 0.00 C ATOM 292 O GLY A 24 15.462 4.600 5.638 1.00 0.00 O ATOM 0 H GLY A 24 12.740 5.446 7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.851 6.481 5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.882 7.231 6.786 1.00 0.00 H new TER 296 GLY A 24