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+ -133:sc= 0.147 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0501 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.773 2.910 -5.496 1.00 0.00 N ATOM 2 CA ALA A 1 -10.523 3.401 -4.322 1.00 0.00 C ATOM 3 C ALA A 1 -10.803 2.247 -3.346 1.00 0.00 C ATOM 4 O ALA A 1 -10.256 1.166 -3.537 1.00 0.00 O ATOM 5 CB ALA A 1 -11.801 4.123 -4.777 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.975 3.548 -5.690 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.413 1.954 -5.303 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.403 2.882 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.921 4.130 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.347 4.481 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.535 4.969 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.429 3.432 -5.339 1.00 0.00 H new ATOM 13 N VAL A 2 -11.649 2.493 -2.337 1.00 0.00 N ATOM 14 CA VAL A 2 -12.010 1.805 -1.077 1.00 0.00 C ATOM 15 C VAL A 2 -11.997 0.260 -1.062 1.00 0.00 C ATOM 16 O VAL A 2 -11.932 -0.344 0.003 1.00 0.00 O ATOM 17 CB VAL A 2 -13.414 2.315 -0.646 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.729 2.040 0.836 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.623 3.830 -0.866 1.00 0.00 C ATOM 0 H VAL A 2 -12.204 3.346 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.209 2.060 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.085 1.750 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.723 2.420 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.697 0.966 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.990 2.539 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.625 4.110 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.886 4.387 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.506 4.064 -1.924 1.00 0.00 H new ATOM 29 N GLY A 3 -12.062 -0.385 -2.221 1.00 0.00 N ATOM 30 CA GLY A 3 -11.752 -1.793 -2.404 1.00 0.00 C ATOM 31 C GLY A 3 -10.246 -1.973 -2.555 1.00 0.00 C ATOM 32 O GLY A 3 -9.491 -1.850 -1.595 1.00 0.00 O ATOM 0 H GLY A 3 -12.342 0.076 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.113 -2.368 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.264 -2.176 -3.287 1.00 0.00 H new ATOM 36 N ILE A 4 -9.800 -2.210 -3.792 1.00 0.00 N ATOM 37 CA ILE A 4 -8.409 -2.523 -4.122 1.00 0.00 C ATOM 38 C ILE A 4 -7.456 -1.439 -3.603 1.00 0.00 C ATOM 39 O ILE A 4 -6.372 -1.760 -3.122 1.00 0.00 O ATOM 40 CB ILE A 4 -8.261 -2.728 -5.650 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.242 -3.778 -6.230 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.816 -3.093 -6.038 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.155 -5.178 -5.605 1.00 0.00 C ATOM 0 H ILE A 4 -10.410 -2.189 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.134 -3.452 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.519 -1.766 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.259 -3.406 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.062 -3.865 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.752 -3.229 -7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.144 -2.291 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.528 -4.018 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.882 -5.835 -6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.152 -5.580 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.368 -5.114 -4.538 1.00 0.00 H new ATOM 55 N GLY A 5 -7.863 -0.164 -3.643 1.00 0.00 N ATOM 56 CA GLY A 5 -7.021 0.943 -3.209 1.00 0.00 C ATOM 57 C GLY A 5 -6.838 0.948 -1.695 1.00 0.00 C ATOM 58 O GLY A 5 -5.785 1.362 -1.214 1.00 0.00 O ATOM 0 H GLY A 5 -8.783 0.122 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.047 0.872 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.467 1.886 -3.525 1.00 0.00 H new ATOM 62 N ALA A 6 -7.834 0.459 -0.948 1.00 0.00 N ATOM 63 CA ALA A 6 -7.716 0.289 0.490 1.00 0.00 C ATOM 64 C ALA A 6 -6.710 -0.814 0.819 1.00 0.00 C ATOM 65 O ALA A 6 -5.971 -0.684 1.787 1.00 0.00 O ATOM 66 CB ALA A 6 -9.090 -0.005 1.084 1.00 0.00 C ATOM 0 H ALA A 6 -8.737 0.174 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.342 1.211 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.000 -0.132 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.764 0.825 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.489 -0.918 0.643 1.00 0.00 H new ATOM 72 N LEU A 7 -6.614 -1.869 0.000 1.00 0.00 N ATOM 73 CA LEU A 7 -5.547 -2.856 0.124 1.00 0.00 C ATOM 74 C LEU A 7 -4.213 -2.222 -0.231 1.00 0.00 C ATOM 75 O LEU A 7 -3.210 -2.477 0.414 1.00 0.00 O ATOM 76 CB LEU A 7 -5.765 -4.092 -0.776 1.00 0.00 C ATOM 77 CG LEU A 7 -7.218 -4.564 -0.923 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.300 -5.745 -1.899 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.849 -4.962 0.418 1.00 0.00 C ATOM 0 H LEU A 7 -7.270 -2.057 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.553 -3.194 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.373 -3.869 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.174 -4.917 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.783 -3.718 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.337 -6.068 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.926 -5.437 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.695 -6.570 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.876 -5.287 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.277 -5.777 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.843 -4.105 1.092 1.00 0.00 H new ATOM 91 N PHE A 8 -4.200 -1.393 -1.262 1.00 0.00 N ATOM 92 CA PHE A 8 -2.967 -0.867 -1.841 1.00 0.00 C ATOM 93 C PHE A 8 -2.241 0.077 -0.890 1.00 0.00 C ATOM 94 O PHE A 8 -1.050 -0.053 -0.623 1.00 0.00 O ATOM 95 CB PHE A 8 -3.358 -0.064 -3.068 1.00 0.00 C ATOM 96 CG PHE A 8 -2.247 0.047 -4.092 1.00 0.00 C ATOM 97 CD1 PHE A 8 -2.113 -0.939 -5.087 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.315 1.100 -4.020 1.00 0.00 C ATOM 99 CE1 PHE A 8 -1.054 -0.872 -6.009 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.256 1.167 -4.943 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.126 0.181 -5.937 1.00 0.00 C ATOM 0 H PHE A 8 -5.046 -1.062 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.304 -1.702 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.227 -0.527 -3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.658 0.937 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.825 -1.749 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.413 1.857 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.954 -1.629 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.458 1.976 -4.888 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.687 0.233 -6.646 1.00 0.00 H new ATOM 111 N LEU A 9 -2.999 1.027 -0.352 1.00 0.00 N ATOM 112 CA LEU A 9 -2.514 1.941 0.661 1.00 0.00 C ATOM 113 C LEU A 9 -2.360 1.165 1.965 1.00 0.00 C ATOM 114 O LEU A 9 -1.463 1.443 2.755 1.00 0.00 O ATOM 115 CB LEU A 9 -3.540 3.089 0.774 1.00 0.00 C ATOM 116 CG LEU A 9 -3.596 3.802 2.135 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.327 4.617 2.421 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.807 4.745 2.168 1.00 0.00 C ATOM 0 H LEU A 9 -3.973 1.181 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.543 2.369 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.316 3.829 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.530 2.690 0.553 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.680 3.031 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.417 5.101 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.462 3.954 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.200 5.376 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.848 5.251 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.713 5.485 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.721 4.169 2.022 1.00 0.00 H new ATOM 130 N GLY A 10 -3.272 0.223 2.193 1.00 0.00 N ATOM 131 CA GLY A 10 -3.505 -0.295 3.541 1.00 0.00 C ATOM 132 C GLY A 10 -2.791 -1.614 3.783 1.00 0.00 C ATOM 133 O GLY A 10 -1.789 -1.663 4.489 1.00 0.00 O ATOM 0 H GLY A 10 -3.858 -0.195 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.167 0.438 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.575 -0.430 3.696 1.00 0.00 H new ATOM 137 N PHE A 11 -3.323 -2.686 3.202 1.00 0.00 N ATOM 138 CA PHE A 11 -2.820 -4.050 3.340 1.00 0.00 C ATOM 139 C PHE A 11 -1.358 -4.159 2.870 1.00 0.00 C ATOM 140 O PHE A 11 -0.506 -4.678 3.589 1.00 0.00 O ATOM 141 CB PHE A 11 -3.754 -4.979 2.542 1.00 0.00 C ATOM 142 CG PHE A 11 -3.447 -6.454 2.704 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.001 -7.177 3.778 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.601 -7.106 1.786 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.712 -8.544 3.931 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.312 -8.473 1.941 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.868 -9.193 3.013 1.00 0.00 C ATOM 0 H PHE A 11 -4.145 -2.627 2.601 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.819 -4.347 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.783 -4.797 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.690 -4.720 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.649 -6.680 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.174 -6.555 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.139 -9.097 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.662 -8.970 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.647 -10.244 3.131 1.00 0.00 H new ATOM 157 N LEU A 12 -1.067 -3.626 1.680 1.00 0.00 N ATOM 158 CA LEU A 12 0.261 -3.501 1.092 1.00 0.00 C ATOM 159 C LEU A 12 1.095 -2.497 1.890 1.00 0.00 C ATOM 160 O LEU A 12 2.226 -2.816 2.248 1.00 0.00 O ATOM 161 CB LEU A 12 0.108 -3.124 -0.398 1.00 0.00 C ATOM 162 CG LEU A 12 1.312 -2.424 -1.065 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.545 -3.331 -1.116 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.950 -2.006 -2.498 1.00 0.00 C ATOM 0 H LEU A 12 -1.794 -3.251 1.071 1.00 0.00 H new ATOM 0 HA LEU A 12 0.801 -4.447 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.110 -4.033 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.761 -2.473 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 12 1.550 -1.549 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.368 -2.799 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.833 -3.611 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.313 -4.229 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.805 -1.513 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.683 -2.889 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.105 -1.318 -2.474 1.00 0.00 H new ATOM 176 N GLY A 13 0.559 -1.314 2.218 1.00 0.00 N ATOM 177 CA GLY A 13 1.364 -0.285 2.873 1.00 0.00 C ATOM 178 C GLY A 13 1.754 -0.669 4.303 1.00 0.00 C ATOM 179 O GLY A 13 2.830 -0.283 4.758 1.00 0.00 O ATOM 0 H GLY A 13 -0.411 -1.052 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.267 -0.108 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.807 0.652 2.891 1.00 0.00 H new ATOM 183 N ALA A 14 0.957 -1.500 4.987 1.00 0.00 N ATOM 184 CA ALA A 14 1.337 -2.102 6.260 1.00 0.00 C ATOM 185 C ALA A 14 2.583 -2.989 6.123 1.00 0.00 C ATOM 186 O ALA A 14 3.369 -3.073 7.064 1.00 0.00 O ATOM 187 CB ALA A 14 0.162 -2.910 6.821 1.00 0.00 C ATOM 0 H ALA A 14 0.027 -1.771 4.667 1.00 0.00 H new ATOM 0 HA ALA A 14 1.588 -1.298 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.450 -3.358 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.693 -2.251 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.108 -3.696 6.116 1.00 0.00 H new ATOM 193 N ALA A 15 2.798 -3.619 4.958 1.00 0.00 N ATOM 194 CA ALA A 15 4.031 -4.334 4.634 1.00 0.00 C ATOM 195 C ALA A 15 5.178 -3.427 4.187 1.00 0.00 C ATOM 196 O ALA A 15 6.188 -3.920 3.681 1.00 0.00 O ATOM 197 CB ALA A 15 3.776 -5.430 3.602 1.00 0.00 C ATOM 0 H ALA A 15 2.108 -3.643 4.208 1.00 0.00 H new ATOM 0 HA ALA A 15 4.357 -4.790 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.711 -5.945 3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.054 -6.143 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.381 -4.985 2.689 1.00 0.00 H new ATOM 203 N GLY A 16 5.074 -2.119 4.423 1.00 0.00 N ATOM 204 CA GLY A 16 6.096 -1.122 4.116 1.00 0.00 C ATOM 205 C GLY A 16 7.250 -1.190 5.118 1.00 0.00 C ATOM 206 O GLY A 16 7.701 -0.167 5.626 1.00 0.00 O ATOM 0 H GLY A 16 4.243 -1.711 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.476 -1.285 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.654 -0.126 4.133 1.00 0.00 H new ATOM 210 N SER A 17 7.706 -2.413 5.413 1.00 0.00 N ATOM 211 CA SER A 17 8.891 -2.692 6.213 1.00 0.00 C ATOM 212 C SER A 17 10.156 -2.262 5.454 1.00 0.00 C ATOM 213 O SER A 17 11.103 -1.762 6.059 1.00 0.00 O ATOM 214 CB SER A 17 8.900 -4.191 6.542 1.00 0.00 C ATOM 215 OG SER A 17 9.873 -4.508 7.513 1.00 0.00 O ATOM 0 H SER A 17 7.240 -3.260 5.088 1.00 0.00 H new ATOM 0 HA SER A 17 8.873 -2.125 7.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.916 -4.490 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.094 -4.761 5.634 1.00 0.00 H new ATOM 0 HG SER A 17 9.849 -5.470 7.698 1.00 0.00 H new ATOM 221 N THR A 18 10.164 -2.426 4.124 1.00 0.00 N ATOM 222 CA THR A 18 11.164 -1.824 3.249 1.00 0.00 C ATOM 223 C THR A 18 10.680 -0.441 2.790 1.00 0.00 C ATOM 224 O THR A 18 9.491 -0.127 2.880 1.00 0.00 O ATOM 225 CB THR A 18 11.492 -2.777 2.086 1.00 0.00 C ATOM 226 OG1 THR A 18 12.645 -2.316 1.411 1.00 0.00 O ATOM 227 CG2 THR A 18 10.348 -2.957 1.078 1.00 0.00 C ATOM 0 H THR A 18 9.470 -2.985 3.628 1.00 0.00 H new ATOM 0 HA THR A 18 12.098 -1.668 3.789 1.00 0.00 H new ATOM 0 HB THR A 18 11.660 -3.756 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.856 -2.923 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.661 -3.643 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.475 -3.364 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.095 -1.992 0.639 1.00 0.00 H new ATOM 235 N VAL A 19 11.616 0.377 2.295 1.00 0.00 N ATOM 236 CA VAL A 19 11.362 1.650 1.624 1.00 0.00 C ATOM 237 C VAL A 19 10.203 1.550 0.622 1.00 0.00 C ATOM 238 O VAL A 19 10.161 0.631 -0.197 1.00 0.00 O ATOM 239 CB VAL A 19 12.656 2.211 0.992 1.00 0.00 C ATOM 240 CG1 VAL A 19 13.652 2.625 2.088 1.00 0.00 C ATOM 241 CG2 VAL A 19 13.357 1.243 0.023 1.00 0.00 C ATOM 0 H VAL A 19 12.610 0.158 2.355 1.00 0.00 H new ATOM 0 HA VAL A 19 11.041 2.368 2.379 1.00 0.00 H new ATOM 0 HB VAL A 19 12.339 3.073 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.558 3.018 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.202 3.393 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.903 1.757 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.255 1.714 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.631 0.331 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.682 0.997 -0.797 1.00 0.00 H new ATOM 251 N GLY A 20 9.289 2.527 0.655 1.00 0.00 N ATOM 252 CA GLY A 20 8.251 2.682 -0.353 1.00 0.00 C ATOM 253 C GLY A 20 8.724 3.653 -1.432 1.00 0.00 C ATOM 254 O GLY A 20 9.443 4.611 -1.139 1.00 0.00 O ATOM 0 H GLY A 20 9.255 3.234 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.015 1.715 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.335 3.053 0.108 1.00 0.00 H new ATOM 258 N ALA A 21 8.296 3.425 -2.678 1.00 0.00 N ATOM 259 CA ALA A 21 8.574 4.316 -3.794 1.00 0.00 C ATOM 260 C ALA A 21 7.735 5.590 -3.638 1.00 0.00 C ATOM 261 O ALA A 21 6.569 5.624 -4.028 1.00 0.00 O ATOM 262 CB ALA A 21 8.302 3.598 -5.122 1.00 0.00 C ATOM 0 H ALA A 21 7.743 2.608 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 21 9.626 4.603 -3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.513 4.274 -5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.942 2.719 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.257 3.290 -5.162 1.00 0.00 H new ATOM 268 N ALA A 22 8.326 6.643 -3.063 1.00 0.00 N ATOM 269 CA ALA A 22 7.641 7.908 -2.793 1.00 0.00 C ATOM 270 C ALA A 22 7.133 8.582 -4.075 1.00 0.00 C ATOM 271 O ALA A 22 6.152 9.319 -4.033 1.00 0.00 O ATOM 272 CB ALA A 22 8.588 8.849 -2.041 1.00 0.00 C ATOM 0 H ALA A 22 9.303 6.639 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 22 6.766 7.689 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.080 9.792 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.886 8.389 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.473 9.037 -2.649 1.00 0.00 H new ATOM 278 N SER A 23 7.801 8.339 -5.205 1.00 0.00 N ATOM 279 CA SER A 23 7.407 8.773 -6.536 1.00 0.00 C ATOM 280 C SER A 23 6.163 8.055 -7.078 1.00 0.00 C ATOM 281 O SER A 23 5.604 8.506 -8.078 1.00 0.00 O ATOM 282 CB SER A 23 8.598 8.486 -7.465 1.00 0.00 C ATOM 283 OG SER A 23 9.128 7.188 -7.228 1.00 0.00 O ATOM 0 H SER A 23 8.672 7.808 -5.211 1.00 0.00 H new ATOM 0 HA SER A 23 7.146 9.830 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.281 8.569 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.375 9.234 -7.308 1.00 0.00 H new ATOM 0 HG SER A 23 9.883 7.028 -7.832 1.00 0.00 H new ATOM 289 N GLY A 24 5.767 6.924 -6.478 1.00 0.00 N ATOM 290 CA GLY A 24 5.247 5.809 -7.257 1.00 0.00 C ATOM 291 C GLY A 24 6.404 5.031 -7.884 1.00 0.00 C ATOM 292 O GLY A 24 6.158 3.866 -8.251 1.00 0.00 O ATOM 0 H GLY A 24 5.798 6.765 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.658 5.151 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.580 6.178 -8.036 1.00 0.00 H new TER 296 GLY A 24