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+ -150:sc= 0.083 (180deg=0) USER MOD Single : A 17 SER OG : rot -82:sc= 1.09 USER MOD Single : A 18 THR OG1 : rot -164:sc= 1.21 USER MOD Single : A 23 SER OG : rot 46:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.416 4.039 -5.232 1.00 0.00 N ATOM 2 CA ALA A 1 -9.803 3.533 -3.988 1.00 0.00 C ATOM 3 C ALA A 1 -10.820 2.630 -3.280 1.00 0.00 C ATOM 4 O ALA A 1 -11.546 1.935 -3.986 1.00 0.00 O ATOM 5 CB ALA A 1 -9.277 4.696 -3.132 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.675 4.200 -5.944 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.096 3.340 -5.593 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.909 4.934 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.924 2.924 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.829 4.303 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.527 5.251 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.102 5.360 -2.874 1.00 0.00 H new ATOM 13 N VAL A 2 -10.895 2.643 -1.939 1.00 0.00 N ATOM 14 CA VAL A 2 -11.954 2.074 -1.088 1.00 0.00 C ATOM 15 C VAL A 2 -12.008 0.536 -1.075 1.00 0.00 C ATOM 16 O VAL A 2 -12.028 -0.051 0.002 1.00 0.00 O ATOM 17 CB VAL A 2 -13.331 2.724 -1.389 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.393 2.300 -0.361 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.259 4.263 -1.376 1.00 0.00 C ATOM 0 H VAL A 2 -10.164 3.083 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.682 2.334 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.609 2.376 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.344 2.774 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.511 1.217 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.078 2.608 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.245 4.675 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.930 4.604 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.551 4.601 -2.133 1.00 0.00 H new ATOM 29 N GLY A 3 -12.073 -0.118 -2.237 1.00 0.00 N ATOM 30 CA GLY A 3 -11.918 -1.553 -2.401 1.00 0.00 C ATOM 31 C GLY A 3 -10.439 -1.908 -2.467 1.00 0.00 C ATOM 32 O GLY A 3 -9.694 -1.739 -1.505 1.00 0.00 O ATOM 0 H GLY A 3 -12.242 0.363 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.390 -2.076 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.421 -1.881 -3.311 1.00 0.00 H new ATOM 36 N ILE A 4 -9.993 -2.325 -3.657 1.00 0.00 N ATOM 37 CA ILE A 4 -8.623 -2.783 -3.904 1.00 0.00 C ATOM 38 C ILE A 4 -7.607 -1.698 -3.520 1.00 0.00 C ATOM 39 O ILE A 4 -6.545 -2.005 -2.985 1.00 0.00 O ATOM 40 CB ILE A 4 -8.459 -3.243 -5.375 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.516 -4.288 -5.811 1.00 0.00 C ATOM 42 CG2 ILE A 4 -7.044 -3.791 -5.645 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.578 -5.560 -4.953 1.00 0.00 C ATOM 0 H ILE A 4 -10.584 -2.354 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.423 -3.647 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.618 -2.348 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.497 -3.814 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.314 -4.576 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.967 -4.103 -6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.308 -3.012 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.855 -4.645 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.349 -6.224 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.613 -6.067 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.815 -5.293 -3.923 1.00 0.00 H new ATOM 55 N GLY A 5 -7.955 -0.422 -3.718 1.00 0.00 N ATOM 56 CA GLY A 5 -7.078 0.695 -3.396 1.00 0.00 C ATOM 57 C GLY A 5 -6.874 0.844 -1.890 1.00 0.00 C ATOM 58 O GLY A 5 -5.797 1.258 -1.462 1.00 0.00 O ATOM 0 H GLY A 5 -8.855 -0.141 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.112 0.550 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.501 1.616 -3.798 1.00 0.00 H new ATOM 62 N ALA A 6 -7.881 0.486 -1.082 1.00 0.00 N ATOM 63 CA ALA A 6 -7.745 0.444 0.365 1.00 0.00 C ATOM 64 C ALA A 6 -6.805 -0.684 0.795 1.00 0.00 C ATOM 65 O ALA A 6 -6.086 -0.522 1.774 1.00 0.00 O ATOM 66 CB ALA A 6 -9.122 0.308 1.011 1.00 0.00 C ATOM 0 H ALA A 6 -8.806 0.220 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.299 1.378 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.014 0.277 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.741 1.161 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.596 -0.611 0.667 1.00 0.00 H new ATOM 72 N LEU A 7 -6.746 -1.802 0.058 1.00 0.00 N ATOM 73 CA LEU A 7 -5.722 -2.823 0.265 1.00 0.00 C ATOM 74 C LEU A 7 -4.367 -2.256 -0.129 1.00 0.00 C ATOM 75 O LEU A 7 -3.372 -2.481 0.539 1.00 0.00 O ATOM 76 CB LEU A 7 -5.984 -4.112 -0.544 1.00 0.00 C ATOM 77 CG LEU A 7 -7.454 -4.537 -0.638 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.593 -5.770 -1.539 1.00 0.00 C ATOM 79 CD2 LEU A 7 -8.071 -4.831 0.737 1.00 0.00 C ATOM 0 H LEU A 7 -7.403 -2.019 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.745 -3.094 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.598 -3.973 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.415 -4.926 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.999 -3.697 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.642 -6.062 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.226 -5.534 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.010 -6.592 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.113 -5.127 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.519 -5.638 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.020 -3.936 1.357 1.00 0.00 H new ATOM 91 N PHE A 8 -4.328 -1.507 -1.219 1.00 0.00 N ATOM 92 CA PHE A 8 -3.085 -1.060 -1.834 1.00 0.00 C ATOM 93 C PHE A 8 -2.331 -0.082 -0.941 1.00 0.00 C ATOM 94 O PHE A 8 -1.143 -0.250 -0.673 1.00 0.00 O ATOM 95 CB PHE A 8 -3.439 -0.351 -3.130 1.00 0.00 C ATOM 96 CG PHE A 8 -2.339 -0.402 -4.171 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.304 0.553 -4.163 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.328 -1.436 -5.128 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.265 0.474 -5.108 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.290 -1.513 -6.072 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.258 -0.558 -6.062 1.00 0.00 C ATOM 0 H PHE A 8 -5.165 -1.188 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.446 -1.927 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.341 -0.800 -3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.673 0.691 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.308 1.347 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.119 -2.171 -5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.528 1.207 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.285 -2.306 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.540 -0.618 -6.787 1.00 0.00 H new ATOM 111 N LEU A 9 -3.048 0.930 -0.449 1.00 0.00 N ATOM 112 CA LEU A 9 -2.471 1.882 0.492 1.00 0.00 C ATOM 113 C LEU A 9 -2.413 1.267 1.887 1.00 0.00 C ATOM 114 O LEU A 9 -1.630 1.711 2.723 1.00 0.00 O ATOM 115 CB LEU A 9 -3.258 3.210 0.467 1.00 0.00 C ATOM 116 CG LEU A 9 -4.688 3.165 1.059 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.732 3.534 2.550 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.607 4.140 0.309 1.00 0.00 C ATOM 0 H LEU A 9 -4.024 1.108 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.448 2.113 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.684 3.959 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.325 3.550 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.026 2.135 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.761 3.484 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.117 2.834 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.349 4.546 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.609 4.097 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.216 5.153 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.650 3.863 -0.744 1.00 0.00 H new ATOM 130 N GLY A 10 -3.278 0.279 2.133 1.00 0.00 N ATOM 131 CA GLY A 10 -3.542 -0.216 3.485 1.00 0.00 C ATOM 132 C GLY A 10 -2.832 -1.526 3.778 1.00 0.00 C ATOM 133 O GLY A 10 -1.789 -1.551 4.422 1.00 0.00 O ATOM 0 H GLY A 10 -3.811 -0.197 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.226 0.534 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.616 -0.352 3.614 1.00 0.00 H new ATOM 137 N PHE A 11 -3.429 -2.618 3.308 1.00 0.00 N ATOM 138 CA PHE A 11 -2.976 -3.993 3.486 1.00 0.00 C ATOM 139 C PHE A 11 -1.534 -4.188 2.982 1.00 0.00 C ATOM 140 O PHE A 11 -0.687 -4.718 3.698 1.00 0.00 O ATOM 141 CB PHE A 11 -3.973 -4.897 2.735 1.00 0.00 C ATOM 142 CG PHE A 11 -3.746 -6.381 2.942 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.376 -7.052 4.008 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.903 -7.095 2.068 1.00 0.00 C ATOM 145 CE1 PHE A 11 -4.166 -8.430 4.195 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.693 -8.472 2.257 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.325 -9.140 3.320 1.00 0.00 C ATOM 0 H PHE A 11 -4.289 -2.563 2.763 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.952 -4.252 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.984 -4.648 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.913 -4.677 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.021 -6.508 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.417 -6.583 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.651 -8.944 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.046 -9.017 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.165 -10.198 3.465 1.00 0.00 H new ATOM 157 N LEU A 12 -1.250 -3.719 1.763 1.00 0.00 N ATOM 158 CA LEU A 12 0.068 -3.687 1.140 1.00 0.00 C ATOM 159 C LEU A 12 0.959 -2.664 1.850 1.00 0.00 C ATOM 160 O LEU A 12 2.101 -2.981 2.170 1.00 0.00 O ATOM 161 CB LEU A 12 -0.106 -3.397 -0.366 1.00 0.00 C ATOM 162 CG LEU A 12 1.126 -2.817 -1.091 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.297 -3.807 -1.112 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.766 -2.453 -2.538 1.00 0.00 C ATOM 0 H LEU A 12 -1.974 -3.333 1.157 1.00 0.00 H new ATOM 0 HA LEU A 12 0.570 -4.650 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.392 -4.324 -0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.936 -2.701 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 12 1.432 -1.928 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.143 -3.358 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.586 -4.050 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.995 -4.717 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.643 -2.045 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.430 -3.346 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.031 -1.709 -2.539 1.00 0.00 H new ATOM 176 N GLY A 13 0.447 -1.467 2.157 1.00 0.00 N ATOM 177 CA GLY A 13 1.273 -0.416 2.746 1.00 0.00 C ATOM 178 C GLY A 13 1.713 -0.759 4.175 1.00 0.00 C ATOM 179 O GLY A 13 2.809 -0.375 4.579 1.00 0.00 O ATOM 0 H GLY A 13 -0.528 -1.206 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.154 -0.257 2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.716 0.521 2.754 1.00 0.00 H new ATOM 183 N ALA A 14 0.933 -1.560 4.911 1.00 0.00 N ATOM 184 CA ALA A 14 1.335 -2.135 6.190 1.00 0.00 C ATOM 185 C ALA A 14 2.537 -3.078 6.045 1.00 0.00 C ATOM 186 O ALA A 14 3.341 -3.176 6.969 1.00 0.00 O ATOM 187 CB ALA A 14 0.148 -2.879 6.813 1.00 0.00 C ATOM 0 H ALA A 14 -0.009 -1.828 4.626 1.00 0.00 H new ATOM 0 HA ALA A 14 1.643 -1.319 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.449 -3.308 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.675 -2.183 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.174 -3.676 6.143 1.00 0.00 H new ATOM 193 N ALA A 15 2.702 -3.734 4.888 1.00 0.00 N ATOM 194 CA ALA A 15 3.895 -4.504 4.542 1.00 0.00 C ATOM 195 C ALA A 15 5.059 -3.644 4.058 1.00 0.00 C ATOM 196 O ALA A 15 5.995 -4.196 3.466 1.00 0.00 O ATOM 197 CB ALA A 15 3.596 -5.578 3.499 1.00 0.00 C ATOM 0 H ALA A 15 1.993 -3.742 4.155 1.00 0.00 H new ATOM 0 HA ALA A 15 4.200 -4.977 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.509 -6.127 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.847 -6.267 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.218 -5.108 2.591 1.00 0.00 H new ATOM 203 N GLY A 16 5.013 -2.326 4.291 1.00 0.00 N ATOM 204 CA GLY A 16 5.946 -1.312 3.803 1.00 0.00 C ATOM 205 C GLY A 16 7.262 -1.378 4.576 1.00 0.00 C ATOM 206 O GLY A 16 7.725 -0.417 5.187 1.00 0.00 O ATOM 0 H GLY A 16 4.274 -1.917 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.134 -1.464 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.504 -0.321 3.910 1.00 0.00 H new ATOM 210 N SER A 17 7.836 -2.574 4.516 1.00 0.00 N ATOM 211 CA SER A 17 9.071 -3.081 5.074 1.00 0.00 C ATOM 212 C SER A 17 10.280 -2.354 4.468 1.00 0.00 C ATOM 213 O SER A 17 11.071 -2.913 3.708 1.00 0.00 O ATOM 214 CB SER A 17 9.081 -4.615 4.891 1.00 0.00 C ATOM 215 OG SER A 17 8.542 -5.059 3.647 1.00 0.00 O ATOM 0 H SER A 17 7.368 -3.315 3.994 1.00 0.00 H new ATOM 0 HA SER A 17 9.142 -2.880 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.107 -4.973 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.514 -5.070 5.703 1.00 0.00 H new ATOM 0 HG SER A 17 7.564 -5.091 3.707 1.00 0.00 H new ATOM 221 N THR A 18 10.434 -1.085 4.850 1.00 0.00 N ATOM 222 CA THR A 18 11.574 -0.256 4.501 1.00 0.00 C ATOM 223 C THR A 18 12.808 -0.817 5.219 1.00 0.00 C ATOM 224 O THR A 18 12.916 -0.784 6.442 1.00 0.00 O ATOM 225 CB THR A 18 11.285 1.231 4.813 1.00 0.00 C ATOM 226 OG1 THR A 18 12.419 2.013 4.487 1.00 0.00 O ATOM 227 CG2 THR A 18 10.832 1.523 6.253 1.00 0.00 C ATOM 0 H THR A 18 9.747 -0.599 5.426 1.00 0.00 H new ATOM 0 HA THR A 18 11.771 -0.285 3.429 1.00 0.00 H new ATOM 0 HB THR A 18 10.431 1.501 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.343 2.893 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.655 2.592 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.911 0.978 6.462 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.608 1.206 6.950 1.00 0.00 H new ATOM 235 N VAL A 19 13.717 -1.416 4.444 1.00 0.00 N ATOM 236 CA VAL A 19 15.127 -1.618 4.787 1.00 0.00 C ATOM 237 C VAL A 19 15.770 -0.359 5.413 1.00 0.00 C ATOM 238 O VAL A 19 16.699 -0.485 6.210 1.00 0.00 O ATOM 239 CB VAL A 19 15.885 -2.163 3.550 1.00 0.00 C ATOM 240 CG1 VAL A 19 17.357 -2.492 3.851 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.229 -3.449 3.007 1.00 0.00 C ATOM 0 H VAL A 19 13.481 -1.788 3.524 1.00 0.00 H new ATOM 0 HA VAL A 19 15.199 -2.370 5.573 1.00 0.00 H new ATOM 0 HB VAL A 19 15.836 -1.363 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.837 -2.869 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.870 -1.590 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.408 -3.250 4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.786 -3.804 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.236 -4.216 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.200 -3.237 2.715 1.00 0.00 H new ATOM 251 N GLY A 20 15.313 0.843 5.027 1.00 0.00 N ATOM 252 CA GLY A 20 15.752 2.129 5.554 1.00 0.00 C ATOM 253 C GLY A 20 14.826 2.619 6.667 1.00 0.00 C ATOM 254 O GLY A 20 14.257 1.828 7.418 1.00 0.00 O ATOM 0 H GLY A 20 14.597 0.941 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.769 2.039 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.778 2.864 4.750 1.00 0.00 H new ATOM 258 N ALA A 21 14.681 3.940 6.788 1.00 0.00 N ATOM 259 CA ALA A 21 13.643 4.556 7.605 1.00 0.00 C ATOM 260 C ALA A 21 12.350 4.720 6.789 1.00 0.00 C ATOM 261 O ALA A 21 12.293 4.397 5.597 1.00 0.00 O ATOM 262 CB ALA A 21 14.166 5.891 8.149 1.00 0.00 C ATOM 0 H ALA A 21 15.286 4.613 6.318 1.00 0.00 H new ATOM 0 HA ALA A 21 13.398 3.917 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.397 6.361 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.055 5.714 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.419 6.549 7.317 1.00 0.00 H new ATOM 268 N ALA A 22 11.295 5.235 7.434 1.00 0.00 N ATOM 269 CA ALA A 22 10.018 5.555 6.795 1.00 0.00 C ATOM 270 C ALA A 22 10.170 6.628 5.707 1.00 0.00 C ATOM 271 O ALA A 22 9.405 6.643 4.747 1.00 0.00 O ATOM 272 CB ALA A 22 9.022 6.007 7.868 1.00 0.00 C ATOM 0 H ALA A 22 11.308 5.444 8.432 1.00 0.00 H new ATOM 0 HA ALA A 22 9.646 4.658 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.067 6.248 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.879 5.205 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.410 6.890 8.376 1.00 0.00 H new ATOM 278 N SER A 23 11.162 7.512 5.851 1.00 0.00 N ATOM 279 CA SER A 23 11.563 8.520 4.881 1.00 0.00 C ATOM 280 C SER A 23 12.322 7.945 3.677 1.00 0.00 C ATOM 281 O SER A 23 12.581 8.681 2.724 1.00 0.00 O ATOM 282 CB SER A 23 12.487 9.504 5.619 1.00 0.00 C ATOM 283 OG SER A 23 13.438 8.817 6.421 1.00 0.00 O ATOM 0 H SER A 23 11.734 7.540 6.695 1.00 0.00 H new ATOM 0 HA SER A 23 10.663 8.990 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.005 10.132 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.890 10.166 6.246 1.00 0.00 H new ATOM 0 HG SER A 23 13.827 8.079 5.907 1.00 0.00 H new ATOM 289 N GLY A 24 12.730 6.671 3.741 1.00 0.00 N ATOM 290 CA GLY A 24 14.042 6.285 3.251 1.00 0.00 C ATOM 291 C GLY A 24 15.004 6.474 4.417 1.00 0.00 C ATOM 292 O GLY A 24 14.939 7.562 5.042 1.00 0.00 O ATOM 0 H GLY A 24 12.174 5.906 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.041 5.249 2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.336 6.900 2.400 1.00 0.00 H new TER 296 GLY A 24