USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=3 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+ 180:sc= 0.94 (180deg=0.94) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0041 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -33:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.026 4.320 -1.406 1.00 0.00 N ATOM 2 CA ALA A 1 -9.395 4.156 -1.936 1.00 0.00 C ATOM 3 C ALA A 1 -10.095 3.038 -1.155 1.00 0.00 C ATOM 4 O ALA A 1 -9.820 2.932 0.036 1.00 0.00 O ATOM 5 CB ALA A 1 -9.397 3.974 -3.460 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.540 5.077 -1.928 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.072 4.570 -0.397 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.501 3.429 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.974 5.066 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.422 3.857 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.950 4.849 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.820 3.087 -3.721 1.00 0.00 H new ATOM 13 N VAL A 2 -10.991 2.249 -1.773 1.00 0.00 N ATOM 14 CA VAL A 2 -11.981 1.442 -1.047 1.00 0.00 C ATOM 15 C VAL A 2 -11.831 -0.069 -1.299 1.00 0.00 C ATOM 16 O VAL A 2 -11.893 -0.838 -0.345 1.00 0.00 O ATOM 17 CB VAL A 2 -13.407 1.947 -1.380 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.487 1.210 -0.573 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.558 3.455 -1.107 1.00 0.00 C ATOM 0 H VAL A 2 -11.047 2.154 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.799 1.572 0.020 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.546 1.746 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.470 1.598 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.445 0.144 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.314 1.364 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.572 3.770 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.362 3.656 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.847 4.009 -1.720 1.00 0.00 H new ATOM 29 N GLY A 3 -11.702 -0.513 -2.556 1.00 0.00 N ATOM 30 CA GLY A 3 -11.463 -1.904 -2.905 1.00 0.00 C ATOM 31 C GLY A 3 -9.979 -2.225 -2.805 1.00 0.00 C ATOM 32 O GLY A 3 -9.344 -2.090 -1.764 1.00 0.00 O ATOM 0 H GLY A 3 -11.763 0.102 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.029 -2.556 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.817 -2.098 -3.918 1.00 0.00 H new ATOM 36 N ILE A 4 -9.393 -2.547 -3.958 1.00 0.00 N ATOM 37 CA ILE A 4 -7.972 -2.890 -4.088 1.00 0.00 C ATOM 38 C ILE A 4 -7.103 -1.704 -3.632 1.00 0.00 C ATOM 39 O ILE A 4 -6.051 -1.866 -3.020 1.00 0.00 O ATOM 40 CB ILE A 4 -7.663 -3.333 -5.541 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.589 -4.465 -6.051 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.191 -3.751 -5.704 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.612 -5.742 -5.198 1.00 0.00 C ATOM 0 H ILE A 4 -9.898 -2.578 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.732 -3.733 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.858 -2.455 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.605 -4.076 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.283 -4.731 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.011 -4.055 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.544 -2.909 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.973 -4.585 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.292 -6.467 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.609 -6.166 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.952 -5.501 -4.191 1.00 0.00 H new ATOM 55 N GLY A 5 -7.585 -0.490 -3.893 1.00 0.00 N ATOM 56 CA GLY A 5 -6.977 0.765 -3.499 1.00 0.00 C ATOM 57 C GLY A 5 -7.067 1.057 -2.001 1.00 0.00 C ATOM 58 O GLY A 5 -6.407 1.991 -1.545 1.00 0.00 O ATOM 0 H GLY A 5 -8.453 -0.356 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.928 0.757 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.456 1.577 -4.046 1.00 0.00 H new ATOM 62 N ALA A 6 -7.922 0.365 -1.234 1.00 0.00 N ATOM 63 CA ALA A 6 -7.762 0.289 0.214 1.00 0.00 C ATOM 64 C ALA A 6 -6.526 -0.540 0.556 1.00 0.00 C ATOM 65 O ALA A 6 -5.716 -0.125 1.378 1.00 0.00 O ATOM 66 CB ALA A 6 -9.015 -0.271 0.886 1.00 0.00 C ATOM 0 H ALA A 6 -8.727 -0.146 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.620 1.298 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.861 -0.314 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.865 0.375 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.214 -1.274 0.508 1.00 0.00 H new ATOM 72 N LEU A 7 -6.353 -1.700 -0.091 1.00 0.00 N ATOM 73 CA LEU A 7 -5.249 -2.621 0.182 1.00 0.00 C ATOM 74 C LEU A 7 -3.926 -1.935 -0.115 1.00 0.00 C ATOM 75 O LEU A 7 -2.954 -2.146 0.592 1.00 0.00 O ATOM 76 CB LEU A 7 -5.332 -3.916 -0.652 1.00 0.00 C ATOM 77 CG LEU A 7 -6.747 -4.461 -0.855 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.715 -5.691 -1.770 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.445 -4.820 0.464 1.00 0.00 C ATOM 0 H LEU A 7 -6.983 -2.026 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.320 -2.896 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.886 -3.731 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.729 -4.683 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.324 -3.662 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.728 -6.069 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.298 -5.414 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.096 -6.466 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.445 -5.201 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.868 -5.584 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.519 -3.931 1.090 1.00 0.00 H new ATOM 91 N PHE A 8 -3.909 -1.087 -1.137 1.00 0.00 N ATOM 92 CA PHE A 8 -2.714 -0.371 -1.569 1.00 0.00 C ATOM 93 C PHE A 8 -2.139 0.496 -0.453 1.00 0.00 C ATOM 94 O PHE A 8 -0.946 0.437 -0.167 1.00 0.00 O ATOM 95 CB PHE A 8 -3.105 0.581 -2.699 1.00 0.00 C ATOM 96 CG PHE A 8 -2.934 0.065 -4.120 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.174 -1.285 -4.449 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.495 0.951 -5.124 1.00 0.00 C ATOM 99 CE1 PHE A 8 -2.958 -1.743 -5.761 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.287 0.493 -6.437 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.516 -0.855 -6.756 1.00 0.00 C ATOM 0 H PHE A 8 -4.735 -0.875 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.975 -1.112 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.150 0.860 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.516 1.492 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.525 -1.970 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.317 1.989 -4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.132 -2.781 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.951 1.179 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.353 -1.208 -7.763 1.00 0.00 H new ATOM 111 N LEU A 9 -3.001 1.299 0.177 1.00 0.00 N ATOM 112 CA LEU A 9 -2.549 2.184 1.254 1.00 0.00 C ATOM 113 C LEU A 9 -2.505 1.433 2.582 1.00 0.00 C ATOM 114 O LEU A 9 -1.791 1.828 3.499 1.00 0.00 O ATOM 115 CB LEU A 9 -3.388 3.477 1.311 1.00 0.00 C ATOM 116 CG LEU A 9 -4.806 3.352 1.916 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.835 3.633 3.427 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.760 4.336 1.226 1.00 0.00 C ATOM 0 H LEU A 9 -3.997 1.355 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.529 2.503 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.835 4.218 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.482 3.868 0.298 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.121 2.321 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.855 3.531 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.189 2.921 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.481 4.646 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.756 4.241 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.398 5.354 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.804 4.113 0.160 1.00 0.00 H new ATOM 130 N GLY A 10 -3.297 0.365 2.668 1.00 0.00 N ATOM 131 CA GLY A 10 -3.625 -0.314 3.912 1.00 0.00 C ATOM 132 C GLY A 10 -2.818 -1.588 4.091 1.00 0.00 C ATOM 133 O GLY A 10 -1.907 -1.639 4.909 1.00 0.00 O ATOM 0 H GLY A 10 -3.737 -0.059 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.438 0.356 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.688 -0.553 3.926 1.00 0.00 H new ATOM 137 N PHE A 11 -3.172 -2.628 3.339 1.00 0.00 N ATOM 138 CA PHE A 11 -2.596 -3.964 3.442 1.00 0.00 C ATOM 139 C PHE A 11 -1.118 -3.966 3.014 1.00 0.00 C ATOM 140 O PHE A 11 -0.246 -4.425 3.752 1.00 0.00 O ATOM 141 CB PHE A 11 -3.439 -4.882 2.538 1.00 0.00 C ATOM 142 CG PHE A 11 -3.069 -6.349 2.638 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.643 -7.153 3.642 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.134 -6.909 1.745 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.284 -8.509 3.751 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.775 -8.265 1.857 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.349 -9.065 2.860 1.00 0.00 C ATOM 0 H PHE A 11 -3.891 -2.560 2.619 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.616 -4.315 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.491 -4.764 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.327 -4.559 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.360 -6.728 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.692 -6.296 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.727 -9.124 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.058 -8.691 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.072 -10.105 2.946 1.00 0.00 H new ATOM 157 N LEU A 12 -0.837 -3.374 1.848 1.00 0.00 N ATOM 158 CA LEU A 12 0.494 -3.160 1.297 1.00 0.00 C ATOM 159 C LEU A 12 1.256 -2.167 2.172 1.00 0.00 C ATOM 160 O LEU A 12 2.418 -2.410 2.474 1.00 0.00 O ATOM 161 CB LEU A 12 0.355 -2.688 -0.164 1.00 0.00 C ATOM 162 CG LEU A 12 1.569 -1.934 -0.740 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.817 -2.824 -0.822 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.245 -1.420 -2.150 1.00 0.00 C ATOM 0 H LEU A 12 -1.572 -3.016 1.238 1.00 0.00 H new ATOM 0 HA LEU A 12 1.071 -4.085 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.160 -3.558 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.519 -2.041 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 12 1.779 -1.105 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.647 -2.250 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.079 -3.176 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.612 -3.679 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.108 -0.888 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.005 -2.263 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.391 -0.744 -2.104 1.00 0.00 H new ATOM 176 N GLY A 13 0.606 -1.087 2.617 1.00 0.00 N ATOM 177 CA GLY A 13 1.265 -0.060 3.415 1.00 0.00 C ATOM 178 C GLY A 13 1.646 -0.581 4.804 1.00 0.00 C ATOM 179 O GLY A 13 2.744 -0.289 5.270 1.00 0.00 O ATOM 0 H GLY A 13 -0.381 -0.905 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.160 0.285 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.605 0.801 3.518 1.00 0.00 H new ATOM 183 N ALA A 14 0.808 -1.413 5.437 1.00 0.00 N ATOM 184 CA ALA A 14 1.153 -2.103 6.678 1.00 0.00 C ATOM 185 C ALA A 14 2.355 -3.030 6.472 1.00 0.00 C ATOM 186 O ALA A 14 3.260 -3.047 7.301 1.00 0.00 O ATOM 187 CB ALA A 14 -0.055 -2.891 7.198 1.00 0.00 C ATOM 0 H ALA A 14 -0.131 -1.624 5.098 1.00 0.00 H new ATOM 0 HA ALA A 14 1.429 -1.356 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.214 -3.401 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.882 -2.206 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.358 -3.627 6.453 1.00 0.00 H new ATOM 193 N ALA A 15 2.393 -3.772 5.357 1.00 0.00 N ATOM 194 CA ALA A 15 3.561 -4.545 4.936 1.00 0.00 C ATOM 195 C ALA A 15 4.647 -3.715 4.256 1.00 0.00 C ATOM 196 O ALA A 15 5.534 -4.276 3.606 1.00 0.00 O ATOM 197 CB ALA A 15 3.149 -5.687 4.019 1.00 0.00 C ATOM 0 H ALA A 15 1.603 -3.851 4.717 1.00 0.00 H new ATOM 0 HA ALA A 15 3.995 -4.935 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.033 -6.249 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.462 -6.348 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.657 -5.284 3.134 1.00 0.00 H new ATOM 203 N GLY A 16 4.604 -2.392 4.382 1.00 0.00 N ATOM 204 CA GLY A 16 5.430 -1.464 3.624 1.00 0.00 C ATOM 205 C GLY A 16 6.871 -1.440 4.128 1.00 0.00 C ATOM 206 O GLY A 16 7.564 -0.450 3.930 1.00 0.00 O ATOM 0 H GLY A 16 3.974 -1.925 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.419 -1.745 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.005 -0.462 3.691 1.00 0.00 H new ATOM 210 N SER A 17 7.331 -2.522 4.763 1.00 0.00 N ATOM 211 CA SER A 17 8.542 -2.549 5.576 1.00 0.00 C ATOM 212 C SER A 17 9.820 -2.274 4.774 1.00 0.00 C ATOM 213 O SER A 17 10.820 -1.861 5.356 1.00 0.00 O ATOM 214 CB SER A 17 8.635 -3.913 6.272 1.00 0.00 C ATOM 215 OG SER A 17 7.381 -4.286 6.818 1.00 0.00 O ATOM 0 H SER A 17 6.857 -3.424 4.722 1.00 0.00 H new ATOM 0 HA SER A 17 8.468 -1.743 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.965 -4.668 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.384 -3.872 7.063 1.00 0.00 H new ATOM 0 HG SER A 17 7.461 -5.159 7.256 1.00 0.00 H new ATOM 221 N THR A 18 9.804 -2.514 3.456 1.00 0.00 N ATOM 222 CA THR A 18 10.854 -2.075 2.537 1.00 0.00 C ATOM 223 C THR A 18 10.565 -0.686 1.946 1.00 0.00 C ATOM 224 O THR A 18 11.494 0.103 1.807 1.00 0.00 O ATOM 225 CB THR A 18 11.127 -3.161 1.475 1.00 0.00 C ATOM 226 OG1 THR A 18 12.149 -2.752 0.588 1.00 0.00 O ATOM 227 CG2 THR A 18 9.907 -3.570 0.635 1.00 0.00 C ATOM 0 H THR A 18 9.051 -3.025 2.996 1.00 0.00 H new ATOM 0 HA THR A 18 11.778 -1.948 3.101 1.00 0.00 H new ATOM 0 HB THR A 18 11.424 -4.033 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.307 -3.455 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.200 -4.337 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.130 -3.963 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.525 -2.700 0.100 1.00 0.00 H new ATOM 235 N VAL A 19 9.325 -0.438 1.505 1.00 0.00 N ATOM 236 CA VAL A 19 8.798 0.844 1.035 1.00 0.00 C ATOM 237 C VAL A 19 9.206 2.019 1.936 1.00 0.00 C ATOM 238 O VAL A 19 9.710 3.030 1.448 1.00 0.00 O ATOM 239 CB VAL A 19 7.268 0.765 0.803 1.00 0.00 C ATOM 240 CG1 VAL A 19 6.775 1.987 0.011 1.00 0.00 C ATOM 241 CG2 VAL A 19 6.849 -0.504 0.035 1.00 0.00 C ATOM 0 H VAL A 19 8.621 -1.175 1.466 1.00 0.00 H new ATOM 0 HA VAL A 19 9.259 1.050 0.069 1.00 0.00 H new ATOM 0 HB VAL A 19 6.815 0.739 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.698 1.912 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.000 2.897 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.277 2.020 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.767 -0.507 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.336 -0.517 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.147 -1.387 0.601 1.00 0.00 H new ATOM 251 N GLY A 20 8.882 1.907 3.227 1.00 0.00 N ATOM 252 CA GLY A 20 8.949 2.971 4.215 1.00 0.00 C ATOM 253 C GLY A 20 10.249 2.979 5.017 1.00 0.00 C ATOM 254 O GLY A 20 11.181 2.223 4.741 1.00 0.00 O ATOM 0 H GLY A 20 8.551 1.028 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.837 3.931 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.109 2.871 4.902 1.00 0.00 H new ATOM 258 N ALA A 21 10.306 3.878 6.004 1.00 0.00 N ATOM 259 CA ALA A 21 11.362 3.987 6.999 1.00 0.00 C ATOM 260 C ALA A 21 10.869 4.859 8.164 1.00 0.00 C ATOM 261 O ALA A 21 10.373 4.341 9.161 1.00 0.00 O ATOM 262 CB ALA A 21 12.655 4.537 6.366 1.00 0.00 C ATOM 0 H ALA A 21 9.578 4.581 6.132 1.00 0.00 H new ATOM 0 HA ALA A 21 11.604 2.999 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.431 4.610 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.987 3.866 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.463 5.525 5.947 1.00 0.00 H new ATOM 268 N ALA A 22 11.022 6.186 8.058 1.00 0.00 N ATOM 269 CA ALA A 22 10.873 7.105 9.186 1.00 0.00 C ATOM 270 C ALA A 22 9.423 7.271 9.656 1.00 0.00 C ATOM 271 O ALA A 22 9.187 7.498 10.840 1.00 0.00 O ATOM 272 CB ALA A 22 11.458 8.468 8.800 1.00 0.00 C ATOM 0 H ALA A 22 11.254 6.651 7.180 1.00 0.00 H new ATOM 0 HA ALA A 22 11.415 6.672 10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.351 9.160 9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.514 8.355 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.925 8.860 7.934 1.00 0.00 H new ATOM 278 N SER A 23 8.457 7.176 8.737 1.00 0.00 N ATOM 279 CA SER A 23 7.028 7.176 9.043 1.00 0.00 C ATOM 280 C SER A 23 6.534 5.812 9.546 1.00 0.00 C ATOM 281 O SER A 23 5.351 5.697 9.879 1.00 0.00 O ATOM 282 CB SER A 23 6.234 7.585 7.795 1.00 0.00 C ATOM 283 OG SER A 23 4.872 7.749 8.134 1.00 0.00 O ATOM 0 H SER A 23 8.654 7.095 7.739 1.00 0.00 H new ATOM 0 HA SER A 23 6.868 7.895 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.632 8.514 7.386 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.338 6.825 7.020 1.00 0.00 H new ATOM 0 HG SER A 23 4.631 7.111 8.838 1.00 0.00 H new ATOM 289 N GLY A 24 7.376 4.780 9.458 1.00 0.00 N ATOM 290 CA GLY A 24 6.960 3.457 9.038 1.00 0.00 C ATOM 291 C GLY A 24 7.415 3.303 7.588 1.00 0.00 C ATOM 292 O GLY A 24 7.800 4.332 6.972 1.00 0.00 O ATOM 0 H GLY A 24 8.369 4.848 9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.408 2.690 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.879 3.345 9.120 1.00 0.00 H new TER 296 GLY A 24