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 Set 1.1: A 17 SER OG : rot -46:sc= 1.03 USER MOD Set 1.2: A 23 SER OG : rot 47:sc= 1.96 USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.018 (180deg=-0.0949) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0175 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.517 3.799 -4.456 1.00 0.00 N ATOM 2 CA ALA A 1 -10.864 3.240 -4.229 1.00 0.00 C ATOM 3 C ALA A 1 -10.869 2.405 -2.950 1.00 0.00 C ATOM 4 O ALA A 1 -9.872 1.767 -2.639 1.00 0.00 O ATOM 5 CB ALA A 1 -11.320 2.399 -5.426 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.577 4.835 -4.520 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.894 3.537 -3.665 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.129 3.419 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.568 4.065 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.315 1.999 -5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.347 3.023 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.622 1.576 -5.579 1.00 0.00 H new ATOM 13 N VAL A 2 -11.990 2.391 -2.230 1.00 0.00 N ATOM 14 CA VAL A 2 -12.167 1.830 -0.880 1.00 0.00 C ATOM 15 C VAL A 2 -12.018 0.295 -0.850 1.00 0.00 C ATOM 16 O VAL A 2 -11.870 -0.302 0.210 1.00 0.00 O ATOM 17 CB VAL A 2 -13.566 2.257 -0.366 1.00 0.00 C ATOM 18 CG1 VAL A 2 -13.815 1.908 1.112 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.800 3.776 -0.509 1.00 0.00 C ATOM 0 H VAL A 2 -12.855 2.794 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.381 2.218 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.256 1.693 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.813 2.237 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.734 0.830 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.074 2.410 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.793 4.028 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.048 4.316 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.724 4.059 -1.559 1.00 0.00 H new ATOM 29 N GLY A 3 -12.084 -0.342 -2.016 1.00 0.00 N ATOM 30 CA GLY A 3 -11.754 -1.738 -2.241 1.00 0.00 C ATOM 31 C GLY A 3 -10.256 -1.909 -2.433 1.00 0.00 C ATOM 32 O GLY A 3 -9.471 -1.829 -1.493 1.00 0.00 O ATOM 0 H GLY A 3 -12.385 0.129 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.088 -2.337 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.283 -2.105 -3.120 1.00 0.00 H new ATOM 36 N ILE A 4 -9.864 -2.100 -3.694 1.00 0.00 N ATOM 37 CA ILE A 4 -8.499 -2.420 -4.101 1.00 0.00 C ATOM 38 C ILE A 4 -7.521 -1.352 -3.608 1.00 0.00 C ATOM 39 O ILE A 4 -6.418 -1.691 -3.182 1.00 0.00 O ATOM 40 CB ILE A 4 -8.435 -2.593 -5.639 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.447 -3.632 -6.184 1.00 0.00 C ATOM 42 CG2 ILE A 4 -7.013 -2.947 -6.113 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.322 -5.047 -5.600 1.00 0.00 C ATOM 0 H ILE A 4 -10.508 -2.034 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.201 -3.363 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.716 -1.623 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.456 -3.266 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.331 -3.693 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.008 -3.060 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.326 -2.150 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.697 -3.881 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.076 -5.694 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.330 -5.443 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.472 -5.010 -4.521 1.00 0.00 H new ATOM 55 N GLY A 5 -7.920 -0.073 -3.614 1.00 0.00 N ATOM 56 CA GLY A 5 -7.016 0.993 -3.193 1.00 0.00 C ATOM 57 C GLY A 5 -6.776 0.948 -1.686 1.00 0.00 C ATOM 58 O GLY A 5 -5.678 1.269 -1.236 1.00 0.00 O ATOM 0 H GLY A 5 -8.847 0.240 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.066 0.897 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.436 1.960 -3.469 1.00 0.00 H new ATOM 62 N ALA A 6 -7.778 0.512 -0.914 1.00 0.00 N ATOM 63 CA ALA A 6 -7.636 0.308 0.518 1.00 0.00 C ATOM 64 C ALA A 6 -6.701 -0.864 0.823 1.00 0.00 C ATOM 65 O ALA A 6 -5.990 -0.816 1.818 1.00 0.00 O ATOM 66 CB ALA A 6 -9.011 0.101 1.143 1.00 0.00 C ATOM 0 H ALA A 6 -8.708 0.293 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.183 1.197 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.903 -0.052 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.629 0.980 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.485 -0.774 0.698 1.00 0.00 H new ATOM 72 N LEU A 7 -6.630 -1.894 -0.030 1.00 0.00 N ATOM 73 CA LEU A 7 -5.584 -2.907 0.067 1.00 0.00 C ATOM 74 C LEU A 7 -4.239 -2.285 -0.266 1.00 0.00 C ATOM 75 O LEU A 7 -3.243 -2.558 0.385 1.00 0.00 O ATOM 76 CB LEU A 7 -5.813 -4.112 -0.870 1.00 0.00 C ATOM 77 CG LEU A 7 -7.269 -4.567 -1.022 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.361 -5.720 -2.029 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.899 -4.992 0.311 1.00 0.00 C ATOM 0 H LEU A 7 -7.288 -2.043 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.607 -3.278 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.425 -3.860 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.225 -4.953 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.831 -3.708 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.400 -6.034 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.988 -5.388 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.760 -6.559 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.930 -5.304 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.332 -5.822 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.883 -4.152 1.005 1.00 0.00 H new ATOM 91 N PHE A 8 -4.210 -1.445 -1.288 1.00 0.00 N ATOM 92 CA PHE A 8 -2.962 -0.964 -1.867 1.00 0.00 C ATOM 93 C PHE A 8 -2.207 -0.049 -0.912 1.00 0.00 C ATOM 94 O PHE A 8 -1.024 -0.248 -0.643 1.00 0.00 O ATOM 95 CB PHE A 8 -3.314 -0.160 -3.104 1.00 0.00 C ATOM 96 CG PHE A 8 -2.149 0.033 -4.054 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.883 -0.933 -5.043 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.305 1.153 -3.926 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.780 -0.779 -5.902 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.202 1.306 -4.786 1.00 0.00 C ATOM 101 CZ PHE A 8 0.060 0.341 -5.774 1.00 0.00 C ATOM 0 H PHE A 8 -5.047 -1.077 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.327 -1.822 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.125 -0.660 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.688 0.817 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.527 -1.794 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.505 1.895 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.578 -1.521 -6.660 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.444 2.166 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.906 0.460 -6.434 1.00 0.00 H new ATOM 111 N LEU A 9 -2.920 0.935 -0.363 1.00 0.00 N ATOM 112 CA LEU A 9 -2.339 1.823 0.635 1.00 0.00 C ATOM 113 C LEU A 9 -2.350 1.144 1.999 1.00 0.00 C ATOM 114 O LEU A 9 -1.598 1.545 2.883 1.00 0.00 O ATOM 115 CB LEU A 9 -3.074 3.179 0.649 1.00 0.00 C ATOM 116 CG LEU A 9 -4.510 3.165 1.231 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.548 3.519 2.726 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.398 4.170 0.484 1.00 0.00 C ATOM 0 H LEU A 9 -3.894 1.134 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.300 2.030 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.477 3.888 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.121 3.556 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.878 2.147 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.579 3.494 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.954 2.797 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.138 4.518 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.404 4.149 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.982 5.172 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.440 3.904 -0.572 1.00 0.00 H new ATOM 130 N GLY A 10 -3.229 0.148 2.169 1.00 0.00 N ATOM 131 CA GLY A 10 -3.502 -0.411 3.493 1.00 0.00 C ATOM 132 C GLY A 10 -2.793 -1.734 3.705 1.00 0.00 C ATOM 133 O GLY A 10 -1.742 -1.784 4.331 1.00 0.00 O ATOM 0 H GLY A 10 -3.758 -0.283 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.185 0.297 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.576 -0.551 3.613 1.00 0.00 H new ATOM 137 N PHE A 11 -3.386 -2.806 3.183 1.00 0.00 N ATOM 138 CA PHE A 11 -2.909 -4.181 3.309 1.00 0.00 C ATOM 139 C PHE A 11 -1.448 -4.322 2.843 1.00 0.00 C ATOM 140 O PHE A 11 -0.612 -4.869 3.558 1.00 0.00 O ATOM 141 CB PHE A 11 -3.861 -5.081 2.498 1.00 0.00 C ATOM 142 CG PHE A 11 -3.583 -6.566 2.630 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.131 -7.294 3.704 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.779 -7.224 1.678 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.878 -8.673 3.823 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.527 -8.602 1.799 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.078 -9.327 2.870 1.00 0.00 C ATOM 0 H PHE A 11 -4.246 -2.737 2.639 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.914 -4.485 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.885 -4.886 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.796 -4.804 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.746 -6.793 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.356 -6.669 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.299 -9.230 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.910 -9.104 1.069 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.887 -10.386 2.961 1.00 0.00 H new ATOM 157 N LEU A 12 -1.141 -3.788 1.658 1.00 0.00 N ATOM 158 CA LEU A 12 0.189 -3.705 1.068 1.00 0.00 C ATOM 159 C LEU A 12 1.027 -2.653 1.798 1.00 0.00 C ATOM 160 O LEU A 12 2.152 -2.950 2.192 1.00 0.00 O ATOM 161 CB LEU A 12 0.033 -3.404 -0.437 1.00 0.00 C ATOM 162 CG LEU A 12 1.273 -2.828 -1.152 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.433 -3.829 -1.167 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.905 -2.448 -2.594 1.00 0.00 C ATOM 0 H LEU A 12 -1.856 -3.381 1.055 1.00 0.00 H new ATOM 0 HA LEU A 12 0.722 -4.650 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.255 -4.326 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.791 -2.701 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 12 1.597 -1.945 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.288 -3.387 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.712 -4.078 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.125 -4.735 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.782 -2.041 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.559 -3.334 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.113 -1.699 -2.582 1.00 0.00 H new ATOM 176 N GLY A 13 0.499 -1.440 2.002 1.00 0.00 N ATOM 177 CA GLY A 13 1.304 -0.330 2.506 1.00 0.00 C ATOM 178 C GLY A 13 1.739 -0.532 3.959 1.00 0.00 C ATOM 179 O GLY A 13 2.848 -0.138 4.320 1.00 0.00 O ATOM 0 H GLY A 13 -0.478 -1.207 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.188 -0.213 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.732 0.594 2.427 1.00 0.00 H new ATOM 183 N ALA A 14 0.931 -1.221 4.775 1.00 0.00 N ATOM 184 CA ALA A 14 1.311 -1.646 6.116 1.00 0.00 C ATOM 185 C ALA A 14 2.515 -2.589 6.079 1.00 0.00 C ATOM 186 O ALA A 14 3.359 -2.517 6.966 1.00 0.00 O ATOM 187 CB ALA A 14 0.122 -2.327 6.803 1.00 0.00 C ATOM 0 H ALA A 14 -0.015 -1.499 4.513 1.00 0.00 H new ATOM 0 HA ALA A 14 1.598 -0.762 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.413 -2.642 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.710 -1.626 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.183 -3.198 6.223 1.00 0.00 H new ATOM 193 N ALA A 15 2.628 -3.442 5.051 1.00 0.00 N ATOM 194 CA ALA A 15 3.800 -4.281 4.812 1.00 0.00 C ATOM 195 C ALA A 15 4.961 -3.545 4.143 1.00 0.00 C ATOM 196 O ALA A 15 5.903 -4.182 3.670 1.00 0.00 O ATOM 197 CB ALA A 15 3.417 -5.521 4.010 1.00 0.00 C ATOM 0 H ALA A 15 1.894 -3.567 4.354 1.00 0.00 H new ATOM 0 HA ALA A 15 4.161 -4.580 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.303 -6.134 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.677 -6.098 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.998 -5.219 3.050 1.00 0.00 H new ATOM 203 N GLY A 16 4.939 -2.213 4.127 1.00 0.00 N ATOM 204 CA GLY A 16 5.982 -1.375 3.546 1.00 0.00 C ATOM 205 C GLY A 16 7.225 -1.322 4.437 1.00 0.00 C ATOM 206 O GLY A 16 7.853 -0.271 4.564 1.00 0.00 O ATOM 0 H GLY A 16 4.173 -1.674 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.254 -1.761 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.598 -0.366 3.397 1.00 0.00 H new ATOM 210 N SER A 17 7.583 -2.447 5.064 1.00 0.00 N ATOM 211 CA SER A 17 8.696 -2.625 5.993 1.00 0.00 C ATOM 212 C SER A 17 10.062 -2.634 5.277 1.00 0.00 C ATOM 213 O SER A 17 10.893 -3.511 5.509 1.00 0.00 O ATOM 214 CB SER A 17 8.450 -3.912 6.794 1.00 0.00 C ATOM 215 OG SER A 17 7.150 -3.903 7.356 1.00 0.00 O ATOM 0 H SER A 17 7.065 -3.315 4.924 1.00 0.00 H new ATOM 0 HA SER A 17 8.739 -1.775 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.566 -4.780 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.194 -4.004 7.585 1.00 0.00 H new ATOM 0 HG SER A 17 6.977 -3.030 7.766 1.00 0.00 H new ATOM 221 N THR A 18 10.285 -1.668 4.379 1.00 0.00 N ATOM 222 CA THR A 18 11.575 -1.397 3.750 1.00 0.00 C ATOM 223 C THR A 18 12.523 -0.712 4.755 1.00 0.00 C ATOM 224 O THR A 18 12.201 -0.591 5.934 1.00 0.00 O ATOM 225 CB THR A 18 11.337 -0.606 2.445 1.00 0.00 C ATOM 226 OG1 THR A 18 12.533 -0.520 1.694 1.00 0.00 O ATOM 227 CG2 THR A 18 10.785 0.811 2.652 1.00 0.00 C ATOM 0 H THR A 18 9.549 -1.037 4.063 1.00 0.00 H new ATOM 0 HA THR A 18 12.081 -2.320 3.466 1.00 0.00 H new ATOM 0 HB THR A 18 10.573 -1.169 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.366 -0.018 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.648 1.293 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.827 0.756 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.487 1.391 3.251 1.00 0.00 H new ATOM 235 N VAL A 19 13.706 -0.278 4.300 1.00 0.00 N ATOM 236 CA VAL A 19 14.665 0.522 5.072 1.00 0.00 C ATOM 237 C VAL A 19 13.980 1.648 5.862 1.00 0.00 C ATOM 238 O VAL A 19 14.143 1.753 7.076 1.00 0.00 O ATOM 239 CB VAL A 19 15.828 1.017 4.184 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.707 -0.168 3.753 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.403 1.798 2.926 1.00 0.00 C ATOM 0 H VAL A 19 14.032 -0.481 3.355 1.00 0.00 H new ATOM 0 HA VAL A 19 15.109 -0.130 5.824 1.00 0.00 H new ATOM 0 HB VAL A 19 16.377 1.719 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.523 0.193 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.116 -0.658 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.106 -0.881 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.290 2.102 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.780 1.163 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.838 2.683 3.220 1.00 0.00 H new ATOM 251 N GLY A 20 13.169 2.460 5.177 1.00 0.00 N ATOM 252 CA GLY A 20 12.250 3.412 5.781 1.00 0.00 C ATOM 253 C GLY A 20 10.926 2.707 6.044 1.00 0.00 C ATOM 254 O GLY A 20 9.980 2.881 5.279 1.00 0.00 O ATOM 0 H GLY A 20 13.138 2.468 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.664 3.799 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.100 4.265 5.119 1.00 0.00 H new ATOM 258 N ALA A 21 10.896 1.863 7.078 1.00 0.00 N ATOM 259 CA ALA A 21 9.806 0.938 7.356 1.00 0.00 C ATOM 260 C ALA A 21 8.486 1.671 7.619 1.00 0.00 C ATOM 261 O ALA A 21 8.300 2.264 8.681 1.00 0.00 O ATOM 262 CB ALA A 21 10.188 0.039 8.537 1.00 0.00 C ATOM 0 H ALA A 21 11.652 1.806 7.761 1.00 0.00 H new ATOM 0 HA ALA A 21 9.646 0.319 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.373 -0.654 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.088 -0.524 8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.375 0.654 9.417 1.00 0.00 H new ATOM 268 N ALA A 22 7.545 1.589 6.672 1.00 0.00 N ATOM 269 CA ALA A 22 6.213 2.176 6.801 1.00 0.00 C ATOM 270 C ALA A 22 5.428 1.567 7.972 1.00 0.00 C ATOM 271 O ALA A 22 4.574 2.237 8.548 1.00 0.00 O ATOM 272 CB ALA A 22 5.440 2.003 5.490 1.00 0.00 C ATOM 0 H ALA A 22 7.692 1.107 5.785 1.00 0.00 H new ATOM 0 HA ALA A 22 6.335 3.238 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.448 2.442 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.976 2.502 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.345 0.942 5.261 1.00 0.00 H new ATOM 278 N SER A 23 5.717 0.309 8.323 1.00 0.00 N ATOM 279 CA SER A 23 5.176 -0.380 9.486 1.00 0.00 C ATOM 280 C SER A 23 5.638 0.218 10.822 1.00 0.00 C ATOM 281 O SER A 23 5.025 -0.072 11.851 1.00 0.00 O ATOM 282 CB SER A 23 5.623 -1.850 9.411 1.00 0.00 C ATOM 283 OG SER A 23 7.002 -1.974 9.078 1.00 0.00 O ATOM 0 H SER A 23 6.357 -0.272 7.782 1.00 0.00 H new ATOM 0 HA SER A 23 4.091 -0.275 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.437 -2.334 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.022 -2.374 8.667 1.00 0.00 H new ATOM 0 HG SER A 23 7.529 -1.364 9.635 1.00 0.00 H new ATOM 289 N GLY A 24 6.736 0.986 10.827 1.00 0.00 N ATOM 290 CA GLY A 24 7.686 0.920 11.928 1.00 0.00 C ATOM 291 C GLY A 24 8.532 -0.350 11.821 1.00 0.00 C ATOM 292 O GLY A 24 8.227 -1.195 10.941 1.00 0.00 O ATOM 0 H GLY A 24 6.980 1.648 10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.332 1.798 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.153 0.932 12.879 1.00 0.00 H new TER 296 GLY A 24