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+ -140:sc= 0.151 (180deg=0) USER MOD Single : A 17 SER OG : rot -87:sc= 1.13 USER MOD Single : A 18 THR OG1 : rot 69:sc= 0.884 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0748 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.597 3.929 -3.980 1.00 0.00 N ATOM 2 CA ALA A 1 -9.536 3.444 -2.586 1.00 0.00 C ATOM 3 C ALA A 1 -10.524 2.278 -2.425 1.00 0.00 C ATOM 4 O ALA A 1 -10.805 1.607 -3.418 1.00 0.00 O ATOM 5 CB ALA A 1 -9.777 4.609 -1.612 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.637 4.154 -4.311 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.009 3.191 -4.587 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.188 4.783 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.546 3.059 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.730 4.242 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.012 5.371 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.760 5.041 -1.798 1.00 0.00 H new ATOM 13 N VAL A 2 -11.044 2.055 -1.211 1.00 0.00 N ATOM 14 CA VAL A 2 -12.195 1.217 -0.849 1.00 0.00 C ATOM 15 C VAL A 2 -11.959 -0.280 -1.091 1.00 0.00 C ATOM 16 O VAL A 2 -11.886 -1.035 -0.127 1.00 0.00 O ATOM 17 CB VAL A 2 -13.508 1.751 -1.478 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.731 0.948 -1.007 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.748 3.228 -1.119 1.00 0.00 C ATOM 0 H VAL A 2 -10.635 2.494 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.316 1.298 0.231 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.388 1.645 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.632 1.352 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.613 -0.097 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.817 1.018 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.677 3.568 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.818 3.333 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.919 3.832 -1.489 1.00 0.00 H new ATOM 29 N GLY A 3 -11.894 -0.713 -2.352 1.00 0.00 N ATOM 30 CA GLY A 3 -11.517 -2.062 -2.731 1.00 0.00 C ATOM 31 C GLY A 3 -10.000 -2.169 -2.765 1.00 0.00 C ATOM 32 O GLY A 3 -9.316 -2.010 -1.755 1.00 0.00 O ATOM 0 H GLY A 3 -12.108 -0.116 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.928 -2.780 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.932 -2.307 -3.709 1.00 0.00 H new ATOM 36 N ILE A 4 -9.466 -2.358 -3.973 1.00 0.00 N ATOM 37 CA ILE A 4 -8.043 -2.596 -4.211 1.00 0.00 C ATOM 38 C ILE A 4 -7.197 -1.457 -3.632 1.00 0.00 C ATOM 39 O ILE A 4 -6.127 -1.708 -3.084 1.00 0.00 O ATOM 40 CB ILE A 4 -7.776 -2.804 -5.723 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.658 -3.907 -6.359 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.290 -3.102 -5.999 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.546 -5.296 -5.715 1.00 0.00 C ATOM 0 H ILE A 4 -10.021 -2.350 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.748 -3.510 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.049 -1.860 -6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.699 -3.587 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.398 -3.993 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.140 -3.242 -7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.681 -2.267 -5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.996 -4.008 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.203 -5.992 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.517 -5.648 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.838 -5.236 -4.667 1.00 0.00 H new ATOM 55 N GLY A 5 -7.687 -0.212 -3.684 1.00 0.00 N ATOM 56 CA GLY A 5 -6.933 0.936 -3.206 1.00 0.00 C ATOM 57 C GLY A 5 -6.818 0.949 -1.683 1.00 0.00 C ATOM 58 O GLY A 5 -5.839 1.474 -1.157 1.00 0.00 O ATOM 0 H GLY A 5 -8.608 0.019 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.935 0.923 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.417 1.853 -3.541 1.00 0.00 H new ATOM 62 N ALA A 6 -7.794 0.360 -0.976 1.00 0.00 N ATOM 63 CA ALA A 6 -7.689 0.171 0.462 1.00 0.00 C ATOM 64 C ALA A 6 -6.603 -0.852 0.782 1.00 0.00 C ATOM 65 O ALA A 6 -5.907 -0.694 1.775 1.00 0.00 O ATOM 66 CB ALA A 6 -9.030 -0.273 1.040 1.00 0.00 C ATOM 0 H ALA A 6 -8.661 0.010 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.416 1.122 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.934 -0.410 2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.784 0.488 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.331 -1.214 0.580 1.00 0.00 H new ATOM 72 N LEU A 7 -6.410 -1.877 -0.055 1.00 0.00 N ATOM 73 CA LEU A 7 -5.278 -2.784 0.091 1.00 0.00 C ATOM 74 C LEU A 7 -3.985 -2.053 -0.222 1.00 0.00 C ATOM 75 O LEU A 7 -2.991 -2.234 0.461 1.00 0.00 O ATOM 76 CB LEU A 7 -5.387 -4.030 -0.815 1.00 0.00 C ATOM 77 CG LEU A 7 -6.802 -4.597 -0.993 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.786 -5.764 -1.989 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.419 -5.061 0.333 1.00 0.00 C ATOM 0 H LEU A 7 -7.025 -2.095 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.284 -3.128 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.989 -3.779 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.750 -4.813 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.421 -3.787 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.796 -6.157 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.419 -5.414 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.131 -6.552 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.420 -5.453 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.797 -5.842 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.479 -4.218 1.021 1.00 0.00 H new ATOM 91 N PHE A 8 -4.001 -1.228 -1.257 1.00 0.00 N ATOM 92 CA PHE A 8 -2.796 -0.642 -1.833 1.00 0.00 C ATOM 93 C PHE A 8 -2.101 0.311 -0.871 1.00 0.00 C ATOM 94 O PHE A 8 -0.902 0.235 -0.623 1.00 0.00 O ATOM 95 CB PHE A 8 -3.243 0.175 -3.033 1.00 0.00 C ATOM 96 CG PHE A 8 -2.115 0.531 -3.981 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.349 1.694 -3.770 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.796 -0.331 -5.049 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.270 1.993 -4.620 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.718 -0.029 -5.900 1.00 0.00 C ATOM 101 CZ PHE A 8 0.046 1.132 -5.685 1.00 0.00 C ATOM 0 H PHE A 8 -4.860 -0.942 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.099 -1.442 -2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.003 -0.384 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.714 1.093 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.591 2.358 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.380 -1.224 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.316 2.885 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.476 -0.689 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.875 1.362 -6.338 1.00 0.00 H new ATOM 111 N LEU A 9 -2.898 1.216 -0.314 1.00 0.00 N ATOM 112 CA LEU A 9 -2.450 2.132 0.711 1.00 0.00 C ATOM 113 C LEU A 9 -2.366 1.356 2.019 1.00 0.00 C ATOM 114 O LEU A 9 -1.477 1.597 2.830 1.00 0.00 O ATOM 115 CB LEU A 9 -3.466 3.293 0.770 1.00 0.00 C ATOM 116 CG LEU A 9 -3.555 4.021 2.120 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.272 4.797 2.453 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.734 5.002 2.099 1.00 0.00 C ATOM 0 H LEU A 9 -3.879 1.330 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.466 2.554 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.207 4.020 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.453 2.903 0.521 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.696 3.259 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.387 5.293 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.430 4.106 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.087 5.543 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.796 5.517 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.586 5.732 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.660 4.455 1.921 1.00 0.00 H new ATOM 130 N GLY A 10 -3.323 0.453 2.229 1.00 0.00 N ATOM 131 CA GLY A 10 -3.601 -0.037 3.578 1.00 0.00 C ATOM 132 C GLY A 10 -2.849 -1.321 3.879 1.00 0.00 C ATOM 133 O GLY A 10 -1.913 -1.316 4.668 1.00 0.00 O ATOM 0 H GLY A 10 -3.909 0.052 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.324 0.726 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.672 -0.209 3.689 1.00 0.00 H new ATOM 137 N PHE A 11 -3.266 -2.425 3.262 1.00 0.00 N ATOM 138 CA PHE A 11 -2.692 -3.750 3.483 1.00 0.00 C ATOM 139 C PHE A 11 -1.210 -3.802 3.070 1.00 0.00 C ATOM 140 O PHE A 11 -0.350 -4.211 3.850 1.00 0.00 O ATOM 141 CB PHE A 11 -3.531 -4.757 2.675 1.00 0.00 C ATOM 142 CG PHE A 11 -3.101 -6.199 2.855 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.536 -6.930 3.976 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.250 -6.806 1.911 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.122 -8.263 4.152 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.837 -8.138 2.088 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.273 -8.867 3.209 1.00 0.00 C ATOM 0 H PHE A 11 -4.026 -2.423 2.582 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.720 -3.996 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.577 -4.661 2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.471 -4.499 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.188 -6.467 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.914 -6.247 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.457 -8.823 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.185 -8.602 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.956 -9.890 3.345 1.00 0.00 H new ATOM 157 N LEU A 12 -0.910 -3.316 1.863 1.00 0.00 N ATOM 158 CA LEU A 12 0.424 -3.197 1.292 1.00 0.00 C ATOM 159 C LEU A 12 1.239 -2.182 2.091 1.00 0.00 C ATOM 160 O LEU A 12 2.376 -2.482 2.438 1.00 0.00 O ATOM 161 CB LEU A 12 0.298 -2.837 -0.204 1.00 0.00 C ATOM 162 CG LEU A 12 1.530 -2.169 -0.848 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.747 -3.101 -0.853 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.222 -1.771 -2.300 1.00 0.00 C ATOM 0 H LEU A 12 -1.633 -2.978 1.228 1.00 0.00 H new ATOM 0 HA LEU A 12 0.962 -4.143 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.073 -3.748 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.556 -2.171 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 12 1.761 -1.288 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.593 -2.592 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.002 -3.372 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.513 -4.003 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.100 -1.301 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.959 -2.660 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.388 -1.069 -2.316 1.00 0.00 H new ATOM 176 N GLY A 13 0.669 -1.019 2.430 1.00 0.00 N ATOM 177 CA GLY A 13 1.409 -0.005 3.176 1.00 0.00 C ATOM 178 C GLY A 13 1.701 -0.448 4.613 1.00 0.00 C ATOM 179 O GLY A 13 2.797 -0.190 5.107 1.00 0.00 O ATOM 0 H GLY A 13 -0.291 -0.763 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.348 0.208 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.837 0.923 3.192 1.00 0.00 H new ATOM 183 N ALA A 14 0.787 -1.176 5.266 1.00 0.00 N ATOM 184 CA ALA A 14 1.042 -1.809 6.557 1.00 0.00 C ATOM 185 C ALA A 14 2.171 -2.838 6.440 1.00 0.00 C ATOM 186 O ALA A 14 3.061 -2.867 7.287 1.00 0.00 O ATOM 187 CB ALA A 14 -0.237 -2.461 7.093 1.00 0.00 C ATOM 0 H ALA A 14 -0.154 -1.341 4.908 1.00 0.00 H new ATOM 0 HA ALA A 14 1.357 -1.041 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.031 -2.929 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.009 -1.701 7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.582 -3.218 6.389 1.00 0.00 H new ATOM 193 N ALA A 15 2.181 -3.641 5.367 1.00 0.00 N ATOM 194 CA ALA A 15 3.291 -4.534 5.041 1.00 0.00 C ATOM 195 C ALA A 15 4.479 -3.834 4.381 1.00 0.00 C ATOM 196 O ALA A 15 5.340 -4.522 3.818 1.00 0.00 O ATOM 197 CB ALA A 15 2.816 -5.657 4.124 1.00 0.00 C ATOM 0 H ALA A 15 1.412 -3.686 4.699 1.00 0.00 H new ATOM 0 HA ALA A 15 3.638 -4.927 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.653 -6.314 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.035 -6.229 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.420 -5.231 3.202 1.00 0.00 H new ATOM 203 N GLY A 16 4.541 -2.498 4.445 1.00 0.00 N ATOM 204 CA GLY A 16 5.405 -1.603 3.677 1.00 0.00 C ATOM 205 C GLY A 16 6.849 -1.612 4.172 1.00 0.00 C ATOM 206 O GLY A 16 7.490 -0.564 4.277 1.00 0.00 O ATOM 0 H GLY A 16 3.941 -1.978 5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.383 -1.895 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.012 -0.588 3.733 1.00 0.00 H new ATOM 210 N SER A 17 7.331 -2.828 4.438 1.00 0.00 N ATOM 211 CA SER A 17 8.565 -3.323 5.043 1.00 0.00 C ATOM 212 C SER A 17 9.821 -2.969 4.222 1.00 0.00 C ATOM 213 O SER A 17 10.685 -3.795 3.931 1.00 0.00 O ATOM 214 CB SER A 17 8.374 -4.841 5.254 1.00 0.00 C ATOM 215 OG SER A 17 7.805 -5.509 4.130 1.00 0.00 O ATOM 0 H SER A 17 6.753 -3.629 4.184 1.00 0.00 H new ATOM 0 HA SER A 17 8.747 -2.834 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.340 -5.291 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.735 -5.001 6.122 1.00 0.00 H new ATOM 0 HG SER A 17 6.827 -5.473 4.188 1.00 0.00 H new ATOM 221 N THR A 18 9.906 -1.697 3.852 1.00 0.00 N ATOM 222 CA THR A 18 10.912 -1.087 3.009 1.00 0.00 C ATOM 223 C THR A 18 12.197 -0.953 3.831 1.00 0.00 C ATOM 224 O THR A 18 12.224 -0.218 4.815 1.00 0.00 O ATOM 225 CB THR A 18 10.393 0.276 2.501 1.00 0.00 C ATOM 226 OG1 THR A 18 9.020 0.213 2.140 1.00 0.00 O ATOM 227 CG2 THR A 18 11.165 0.708 1.250 1.00 0.00 C ATOM 0 H THR A 18 9.214 -1.015 4.162 1.00 0.00 H new ATOM 0 HA THR A 18 11.125 -1.697 2.131 1.00 0.00 H new ATOM 0 HB THR A 18 10.532 0.985 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.475 0.090 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.788 1.670 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.225 0.798 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.033 -0.037 0.465 1.00 0.00 H new ATOM 235 N VAL A 19 13.236 -1.712 3.458 1.00 0.00 N ATOM 236 CA VAL A 19 14.557 -1.725 4.094 1.00 0.00 C ATOM 237 C VAL A 19 15.069 -0.308 4.410 1.00 0.00 C ATOM 238 O VAL A 19 15.542 -0.063 5.518 1.00 0.00 O ATOM 239 CB VAL A 19 15.554 -2.548 3.242 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.915 -2.694 3.942 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.020 -3.961 2.944 1.00 0.00 C ATOM 0 H VAL A 19 13.175 -2.360 2.672 1.00 0.00 H new ATOM 0 HA VAL A 19 14.463 -2.219 5.061 1.00 0.00 H new ATOM 0 HB VAL A 19 15.675 -1.996 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.587 -3.278 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.344 -1.707 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.780 -3.201 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.749 -4.506 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.852 -4.491 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.081 -3.887 2.395 1.00 0.00 H new ATOM 251 N GLY A 20 14.992 0.612 3.439 1.00 0.00 N ATOM 252 CA GLY A 20 15.251 2.031 3.646 1.00 0.00 C ATOM 253 C GLY A 20 13.942 2.776 3.897 1.00 0.00 C ATOM 254 O GLY A 20 12.921 2.449 3.290 1.00 0.00 O ATOM 0 H GLY A 20 14.744 0.382 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.923 2.165 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.753 2.447 2.773 1.00 0.00 H new ATOM 258 N ALA A 21 13.985 3.825 4.727 1.00 0.00 N ATOM 259 CA ALA A 21 12.847 4.690 5.031 1.00 0.00 C ATOM 260 C ALA A 21 12.507 5.598 3.836 1.00 0.00 C ATOM 261 O ALA A 21 12.701 6.812 3.876 1.00 0.00 O ATOM 262 CB ALA A 21 13.152 5.489 6.306 1.00 0.00 C ATOM 0 H ALA A 21 14.836 4.100 5.217 1.00 0.00 H new ATOM 0 HA ALA A 21 11.960 4.082 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.308 6.137 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.322 4.801 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.043 6.097 6.150 1.00 0.00 H new ATOM 268 N ALA A 22 11.984 5.003 2.758 1.00 0.00 N ATOM 269 CA ALA A 22 11.629 5.692 1.518 1.00 0.00 C ATOM 270 C ALA A 22 10.546 6.758 1.739 1.00 0.00 C ATOM 271 O ALA A 22 10.484 7.737 0.999 1.00 0.00 O ATOM 272 CB ALA A 22 11.172 4.666 0.476 1.00 0.00 C ATOM 0 H ALA A 22 11.792 4.002 2.726 1.00 0.00 H new ATOM 0 HA ALA A 22 12.515 6.212 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.907 5.179 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.980 3.961 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.303 4.127 0.853 1.00 0.00 H new ATOM 278 N SER A 23 9.694 6.561 2.748 1.00 0.00 N ATOM 279 CA SER A 23 8.696 7.503 3.228 1.00 0.00 C ATOM 280 C SER A 23 9.287 8.783 3.837 1.00 0.00 C ATOM 281 O SER A 23 8.549 9.753 4.014 1.00 0.00 O ATOM 282 CB SER A 23 7.877 6.767 4.300 1.00 0.00 C ATOM 283 OG SER A 23 8.719 6.023 5.173 1.00 0.00 O ATOM 0 H SER A 23 9.687 5.689 3.277 1.00 0.00 H new ATOM 0 HA SER A 23 8.097 7.829 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.298 7.488 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.164 6.097 3.820 1.00 0.00 H new ATOM 0 HG SER A 23 8.171 5.567 5.846 1.00 0.00 H new ATOM 289 N GLY A 24 10.573 8.775 4.209 1.00 0.00 N ATOM 290 CA GLY A 24 11.005 9.453 5.423 1.00 0.00 C ATOM 291 C GLY A 24 10.686 8.584 6.640 1.00 0.00 C ATOM 292 O GLY A 24 11.157 8.961 7.731 1.00 0.00 O ATOM 0 H GLY A 24 11.319 8.311 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.075 9.653 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.504 10.417 5.511 1.00 0.00 H new TER 296 GLY A 24