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+ 151:sc= 0.0493 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 43:sc= 0.0689 USER MOD Single : A 23 SER OG : rot -40:sc= 0.654 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.097 5.741 -2.258 1.00 0.00 N ATOM 2 CA ALA A 1 -9.705 4.345 -1.991 1.00 0.00 C ATOM 3 C ALA A 1 -10.884 3.627 -1.346 1.00 0.00 C ATOM 4 O ALA A 1 -11.526 4.228 -0.490 1.00 0.00 O ATOM 5 CB ALA A 1 -8.481 4.302 -1.076 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.255 6.351 -2.222 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.531 5.805 -3.201 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.782 6.053 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.440 3.848 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.204 3.265 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.650 4.819 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.716 4.792 -0.131 1.00 0.00 H new ATOM 13 N VAL A 2 -11.198 2.399 -1.786 1.00 0.00 N ATOM 14 CA VAL A 2 -12.376 1.661 -1.319 1.00 0.00 C ATOM 15 C VAL A 2 -12.047 0.164 -1.188 1.00 0.00 C ATOM 16 O VAL A 2 -11.930 -0.342 -0.079 1.00 0.00 O ATOM 17 CB VAL A 2 -13.604 1.919 -2.240 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.876 1.285 -1.654 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.897 3.408 -2.494 1.00 0.00 C ATOM 0 H VAL A 2 -10.642 1.892 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.650 2.026 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.334 1.460 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.719 1.480 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.734 0.209 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.079 1.716 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.767 3.502 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -14.097 3.906 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.035 3.872 -2.972 1.00 0.00 H new ATOM 29 N GLY A 3 -11.988 -0.550 -2.318 1.00 0.00 N ATOM 30 CA GLY A 3 -11.616 -1.950 -2.449 1.00 0.00 C ATOM 31 C GLY A 3 -10.106 -2.120 -2.510 1.00 0.00 C ATOM 32 O GLY A 3 -9.380 -1.838 -1.562 1.00 0.00 O ATOM 0 H GLY A 3 -12.215 -0.131 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.013 -2.514 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.067 -2.365 -3.350 1.00 0.00 H new ATOM 36 N ILE A 4 -9.630 -2.503 -3.698 1.00 0.00 N ATOM 37 CA ILE A 4 -8.226 -2.792 -3.995 1.00 0.00 C ATOM 38 C ILE A 4 -7.324 -1.608 -3.610 1.00 0.00 C ATOM 39 O ILE A 4 -6.228 -1.805 -3.091 1.00 0.00 O ATOM 40 CB ILE A 4 -8.077 -3.195 -5.484 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.058 -4.309 -5.928 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.634 -3.613 -5.809 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.011 -5.602 -5.100 1.00 0.00 C ATOM 0 H ILE A 4 -10.236 -2.625 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.896 -3.636 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.334 -2.300 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.072 -3.911 -5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.851 -4.557 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.563 -3.890 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.960 -2.781 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.354 -4.465 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.736 -6.314 -5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.012 -6.034 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.252 -5.378 -4.061 1.00 0.00 H new ATOM 55 N GLY A 5 -7.813 -0.376 -3.784 1.00 0.00 N ATOM 56 CA GLY A 5 -7.059 0.830 -3.466 1.00 0.00 C ATOM 57 C GLY A 5 -6.876 1.007 -1.958 1.00 0.00 C ATOM 58 O GLY A 5 -5.876 1.573 -1.517 1.00 0.00 O ATOM 0 H GLY A 5 -8.747 -0.192 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.082 0.785 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.575 1.699 -3.874 1.00 0.00 H new ATOM 62 N ALA A 6 -7.838 0.529 -1.159 1.00 0.00 N ATOM 63 CA ALA A 6 -7.697 0.470 0.285 1.00 0.00 C ATOM 64 C ALA A 6 -6.644 -0.567 0.683 1.00 0.00 C ATOM 65 O ALA A 6 -5.868 -0.312 1.598 1.00 0.00 O ATOM 66 CB ALA A 6 -9.062 0.199 0.913 1.00 0.00 C ATOM 0 H ALA A 6 -8.731 0.175 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.341 1.427 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.961 0.154 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.751 1.000 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.450 -0.751 0.545 1.00 0.00 H new ATOM 72 N LEU A 7 -6.553 -1.707 -0.019 1.00 0.00 N ATOM 73 CA LEU A 7 -5.489 -2.686 0.204 1.00 0.00 C ATOM 74 C LEU A 7 -4.144 -2.069 -0.135 1.00 0.00 C ATOM 75 O LEU A 7 -3.172 -2.271 0.576 1.00 0.00 O ATOM 76 CB LEU A 7 -5.648 -3.971 -0.633 1.00 0.00 C ATOM 77 CG LEU A 7 -7.080 -4.488 -0.762 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.111 -5.732 -1.659 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.720 -4.814 0.595 1.00 0.00 C ATOM 0 H LEU A 7 -7.212 -1.971 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.553 -2.963 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.254 -3.786 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.034 -4.754 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.666 -3.686 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.136 -6.093 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.732 -5.477 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.487 -6.511 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.736 -5.177 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.133 -5.582 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.745 -3.915 1.211 1.00 0.00 H new ATOM 91 N PHE A 8 -4.094 -1.313 -1.224 1.00 0.00 N ATOM 92 CA PHE A 8 -2.846 -0.774 -1.760 1.00 0.00 C ATOM 93 C PHE A 8 -2.173 0.166 -0.766 1.00 0.00 C ATOM 94 O PHE A 8 -0.986 0.030 -0.476 1.00 0.00 O ATOM 95 CB PHE A 8 -3.155 0.042 -3.012 1.00 0.00 C ATOM 96 CG PHE A 8 -3.014 -0.669 -4.349 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.345 -2.032 -4.499 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.533 0.050 -5.462 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.183 -2.667 -5.743 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.381 -0.583 -6.707 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.704 -1.943 -6.848 1.00 0.00 C ATOM 0 H PHE A 8 -4.920 -1.054 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.185 -1.614 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.177 0.413 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.499 0.913 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.724 -2.590 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.280 1.095 -5.357 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.427 -3.714 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.016 -0.024 -7.556 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.584 -2.431 -7.804 1.00 0.00 H new ATOM 111 N LEU A 9 -2.946 1.113 -0.233 1.00 0.00 N ATOM 112 CA LEU A 9 -2.396 2.054 0.745 1.00 0.00 C ATOM 113 C LEU A 9 -2.353 1.418 2.132 1.00 0.00 C ATOM 114 O LEU A 9 -1.584 1.846 2.989 1.00 0.00 O ATOM 115 CB LEU A 9 -3.177 3.382 0.732 1.00 0.00 C ATOM 116 CG LEU A 9 -4.607 3.336 1.318 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.656 3.658 2.821 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.489 4.361 0.595 1.00 0.00 C ATOM 0 H LEU A 9 -3.932 1.248 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.369 2.291 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.602 4.123 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.239 3.733 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.964 2.316 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.687 3.609 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.053 2.934 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.263 4.660 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.497 4.329 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.073 5.359 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.525 4.124 -0.468 1.00 0.00 H new ATOM 130 N GLY A 10 -3.215 0.423 2.342 1.00 0.00 N ATOM 131 CA GLY A 10 -3.534 -0.110 3.662 1.00 0.00 C ATOM 132 C GLY A 10 -2.820 -1.421 3.939 1.00 0.00 C ATOM 133 O GLY A 10 -1.839 -1.458 4.671 1.00 0.00 O ATOM 0 H GLY A 10 -3.718 -0.041 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.258 0.620 4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.611 -0.261 3.741 1.00 0.00 H new ATOM 137 N PHE A 11 -3.337 -2.505 3.363 1.00 0.00 N ATOM 138 CA PHE A 11 -2.850 -3.867 3.544 1.00 0.00 C ATOM 139 C PHE A 11 -1.389 -4.011 3.078 1.00 0.00 C ATOM 140 O PHE A 11 -0.536 -4.498 3.820 1.00 0.00 O ATOM 141 CB PHE A 11 -3.790 -4.791 2.746 1.00 0.00 C ATOM 142 CG PHE A 11 -3.465 -6.264 2.888 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.981 -7.002 3.971 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.624 -6.894 1.949 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.658 -8.363 4.112 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.301 -8.254 2.093 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.817 -8.989 3.175 1.00 0.00 C ATOM 0 H PHE A 11 -4.138 -2.454 2.733 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.855 -4.137 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.816 -4.621 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.743 -4.518 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.625 -6.522 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.227 -6.331 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.056 -8.929 4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.656 -8.735 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.567 -10.034 3.286 1.00 0.00 H new ATOM 157 N LEU A 12 -1.093 -3.527 1.869 1.00 0.00 N ATOM 158 CA LEU A 12 0.238 -3.468 1.279 1.00 0.00 C ATOM 159 C LEU A 12 1.100 -2.462 2.044 1.00 0.00 C ATOM 160 O LEU A 12 2.245 -2.768 2.357 1.00 0.00 O ATOM 161 CB LEU A 12 0.095 -3.126 -0.218 1.00 0.00 C ATOM 162 CG LEU A 12 1.346 -2.530 -0.890 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.513 -3.525 -0.918 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.018 -2.116 -2.332 1.00 0.00 C ATOM 0 H LEU A 12 -1.811 -3.149 1.250 1.00 0.00 H new ATOM 0 HA LEU A 12 0.746 -4.430 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.185 -4.033 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.728 -2.420 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 12 1.646 -1.663 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.374 -3.063 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.776 -3.806 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.219 -4.415 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.907 -1.695 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.689 -2.989 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.224 -1.369 -2.324 1.00 0.00 H new ATOM 176 N GLY A 13 0.553 -1.296 2.398 1.00 0.00 N ATOM 177 CA GLY A 13 1.321 -0.264 3.088 1.00 0.00 C ATOM 178 C GLY A 13 1.700 -0.680 4.515 1.00 0.00 C ATOM 179 O GLY A 13 2.795 -0.348 4.966 1.00 0.00 O ATOM 0 H GLY A 13 -0.419 -1.046 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.227 -0.048 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.739 0.657 3.122 1.00 0.00 H new ATOM 183 N ALA A 14 0.868 -1.475 5.200 1.00 0.00 N ATOM 184 CA ALA A 14 1.219 -2.109 6.469 1.00 0.00 C ATOM 185 C ALA A 14 2.394 -3.079 6.294 1.00 0.00 C ATOM 186 O ALA A 14 3.273 -3.134 7.150 1.00 0.00 O ATOM 187 CB ALA A 14 -0.003 -2.833 7.045 1.00 0.00 C ATOM 0 H ALA A 14 -0.076 -1.696 4.882 1.00 0.00 H new ATOM 0 HA ALA A 14 1.532 -1.335 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.265 -3.304 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.806 -2.115 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.338 -3.596 6.343 1.00 0.00 H new ATOM 193 N ALA A 15 2.445 -3.803 5.168 1.00 0.00 N ATOM 194 CA ALA A 15 3.595 -4.599 4.742 1.00 0.00 C ATOM 195 C ALA A 15 4.711 -3.780 4.093 1.00 0.00 C ATOM 196 O ALA A 15 5.573 -4.349 3.420 1.00 0.00 O ATOM 197 CB ALA A 15 3.168 -5.723 3.805 1.00 0.00 C ATOM 0 H ALA A 15 1.664 -3.850 4.513 1.00 0.00 H new ATOM 0 HA ALA A 15 4.008 -5.019 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.044 -6.298 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.463 -6.377 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.692 -5.299 2.921 1.00 0.00 H new ATOM 203 N GLY A 16 4.700 -2.457 4.257 1.00 0.00 N ATOM 204 CA GLY A 16 5.641 -1.526 3.649 1.00 0.00 C ATOM 205 C GLY A 16 6.996 -1.583 4.351 1.00 0.00 C ATOM 206 O GLY A 16 7.541 -0.551 4.742 1.00 0.00 O ATOM 0 H GLY A 16 4.006 -1.990 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.764 -1.765 2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.242 -0.513 3.702 1.00 0.00 H new ATOM 210 N SER A 17 7.534 -2.797 4.505 1.00 0.00 N ATOM 211 CA SER A 17 8.807 -3.139 5.133 1.00 0.00 C ATOM 212 C SER A 17 10.012 -2.627 4.325 1.00 0.00 C ATOM 213 O SER A 17 10.850 -3.406 3.869 1.00 0.00 O ATOM 214 CB SER A 17 8.851 -4.662 5.322 1.00 0.00 C ATOM 215 OG SER A 17 7.721 -5.101 6.053 1.00 0.00 O ATOM 0 H SER A 17 7.050 -3.628 4.166 1.00 0.00 H new ATOM 0 HA SER A 17 8.877 -2.644 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.877 -5.155 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.764 -4.944 5.847 1.00 0.00 H new ATOM 0 HG SER A 17 7.761 -6.074 6.164 1.00 0.00 H new ATOM 221 N THR A 18 10.101 -1.307 4.140 1.00 0.00 N ATOM 222 CA THR A 18 11.194 -0.629 3.451 1.00 0.00 C ATOM 223 C THR A 18 12.484 -0.733 4.279 1.00 0.00 C ATOM 224 O THR A 18 12.771 0.112 5.125 1.00 0.00 O ATOM 225 CB THR A 18 10.796 0.818 3.084 1.00 0.00 C ATOM 226 OG1 THR A 18 10.345 1.571 4.193 1.00 0.00 O ATOM 227 CG2 THR A 18 9.691 0.844 2.021 1.00 0.00 C ATOM 0 H THR A 18 9.387 -0.662 4.479 1.00 0.00 H new ATOM 0 HA THR A 18 11.399 -1.125 2.502 1.00 0.00 H new ATOM 0 HB THR A 18 11.710 1.271 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.928 1.402 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.436 1.877 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.042 0.344 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.808 0.329 2.401 1.00 0.00 H new ATOM 235 N VAL A 19 13.217 -1.833 4.081 1.00 0.00 N ATOM 236 CA VAL A 19 14.587 -2.048 4.541 1.00 0.00 C ATOM 237 C VAL A 19 15.490 -0.825 4.309 1.00 0.00 C ATOM 238 O VAL A 19 15.272 -0.035 3.389 1.00 0.00 O ATOM 239 CB VAL A 19 15.178 -3.332 3.914 1.00 0.00 C ATOM 240 CG1 VAL A 19 14.391 -4.577 4.355 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.239 -3.288 2.377 1.00 0.00 C ATOM 0 H VAL A 19 12.850 -2.636 3.570 1.00 0.00 H new ATOM 0 HA VAL A 19 14.548 -2.187 5.621 1.00 0.00 H new ATOM 0 HB VAL A 19 16.202 -3.391 4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.829 -5.465 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.433 -4.668 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.352 -4.482 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.664 -4.220 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.233 -3.161 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.863 -2.452 2.061 1.00 0.00 H new ATOM 251 N GLY A 20 16.560 -0.726 5.105 1.00 0.00 N ATOM 252 CA GLY A 20 17.679 0.164 4.828 1.00 0.00 C ATOM 253 C GLY A 20 18.630 -0.458 3.799 1.00 0.00 C ATOM 254 O GLY A 20 18.390 -1.569 3.330 1.00 0.00 O ATOM 0 H GLY A 20 16.669 -1.267 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 20 17.307 1.118 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.221 0.372 5.751 1.00 0.00 H new ATOM 258 N ALA A 21 19.713 0.279 3.504 1.00 0.00 N ATOM 259 CA ALA A 21 20.795 0.022 2.546 1.00 0.00 C ATOM 260 C ALA A 21 20.477 0.746 1.233 1.00 0.00 C ATOM 261 O ALA A 21 19.719 0.261 0.398 1.00 0.00 O ATOM 262 CB ALA A 21 21.120 -1.468 2.345 1.00 0.00 C ATOM 0 H ALA A 21 19.866 1.166 3.985 1.00 0.00 H new ATOM 0 HA ALA A 21 21.716 0.425 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 21 21.930 -1.570 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 21 21.425 -1.905 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.236 -1.986 1.974 1.00 0.00 H new ATOM 268 N ALA A 22 21.018 1.963 1.080 1.00 0.00 N ATOM 269 CA ALA A 22 20.646 2.888 0.009 1.00 0.00 C ATOM 270 C ALA A 22 20.946 2.351 -1.398 1.00 0.00 C ATOM 271 O ALA A 22 20.266 2.729 -2.348 1.00 0.00 O ATOM 272 CB ALA A 22 21.366 4.222 0.228 1.00 0.00 C ATOM 0 H ALA A 22 21.734 2.333 1.705 1.00 0.00 H new ATOM 0 HA ALA A 22 19.565 3.018 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 22 21.094 4.917 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 22 21.073 4.639 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 22 22.444 4.060 0.215 1.00 0.00 H new ATOM 278 N SER A 23 21.964 1.493 -1.539 1.00 0.00 N ATOM 279 CA SER A 23 22.306 0.833 -2.795 1.00 0.00 C ATOM 280 C SER A 23 21.395 -0.365 -3.110 1.00 0.00 C ATOM 281 O SER A 23 21.556 -0.949 -4.186 1.00 0.00 O ATOM 282 CB SER A 23 23.775 0.386 -2.764 1.00 0.00 C ATOM 283 OG SER A 23 24.160 -0.059 -4.049 1.00 0.00 O ATOM 0 H SER A 23 22.580 1.237 -0.768 1.00 0.00 H new ATOM 0 HA SER A 23 22.153 1.561 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 23 24.411 1.213 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 23 23.907 -0.414 -2.036 1.00 0.00 H new ATOM 0 HG SER A 23 23.431 -0.579 -4.447 1.00 0.00 H new ATOM 289 N GLY A 24 20.554 -0.800 -2.165 1.00 0.00 N ATOM 290 CA GLY A 24 20.309 -2.218 -1.951 1.00 0.00 C ATOM 291 C GLY A 24 21.462 -2.812 -1.142 1.00 0.00 C ATOM 292 O GLY A 24 22.347 -2.032 -0.712 1.00 0.00 O ATOM 0 H GLY A 24 20.034 -0.184 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.367 -2.360 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.218 -2.732 -2.908 1.00 0.00 H new TER 296 GLY A 24