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+ -159:sc= 1.18 (180deg=0.863) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 23 SER OG : rot -37:sc= 0.669 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.576 4.065 -0.436 1.00 0.00 N ATOM 2 CA ALA A 1 -9.898 3.951 -1.082 1.00 0.00 C ATOM 3 C ALA A 1 -10.619 2.732 -0.501 1.00 0.00 C ATOM 4 O ALA A 1 -10.534 2.563 0.711 1.00 0.00 O ATOM 5 CB ALA A 1 -9.787 3.969 -2.613 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.225 5.039 -0.534 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.661 3.827 0.573 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.909 3.409 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.512 4.824 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.781 3.883 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.329 4.905 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.172 3.132 -2.943 1.00 0.00 H new ATOM 13 N VAL A 2 -11.319 1.918 -1.308 1.00 0.00 N ATOM 14 CA VAL A 2 -12.318 0.960 -0.823 1.00 0.00 C ATOM 15 C VAL A 2 -11.994 -0.508 -1.138 1.00 0.00 C ATOM 16 O VAL A 2 -11.928 -1.318 -0.219 1.00 0.00 O ATOM 17 CB VAL A 2 -13.730 1.358 -1.315 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.310 2.457 -0.412 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.802 1.839 -2.778 1.00 0.00 C ATOM 0 H VAL A 2 -11.205 1.908 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.292 1.018 0.265 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.313 0.438 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.304 2.731 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.378 2.089 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.661 3.332 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.832 2.094 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.170 2.718 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.455 1.045 -3.439 1.00 0.00 H new ATOM 29 N GLY A 3 -11.866 -0.876 -2.417 1.00 0.00 N ATOM 30 CA GLY A 3 -11.465 -2.202 -2.854 1.00 0.00 C ATOM 31 C GLY A 3 -9.950 -2.318 -2.833 1.00 0.00 C ATOM 32 O GLY A 3 -9.298 -2.167 -1.805 1.00 0.00 O ATOM 0 H GLY A 3 -12.045 -0.237 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.905 -2.957 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.839 -2.391 -3.860 1.00 0.00 H new ATOM 36 N ILE A 4 -9.374 -2.483 -4.023 1.00 0.00 N ATOM 37 CA ILE A 4 -7.929 -2.661 -4.210 1.00 0.00 C ATOM 38 C ILE A 4 -7.174 -1.443 -3.659 1.00 0.00 C ATOM 39 O ILE A 4 -6.106 -1.566 -3.066 1.00 0.00 O ATOM 40 CB ILE A 4 -7.601 -2.920 -5.701 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.425 -4.073 -6.326 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.097 -3.178 -5.908 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.304 -5.431 -5.620 1.00 0.00 C ATOM 0 H ILE A 4 -9.901 -2.497 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.600 -3.537 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.887 -2.006 -6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.475 -3.781 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.117 -4.195 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.901 -3.356 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.530 -2.309 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.795 -4.052 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.920 -6.166 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.264 -5.756 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.643 -5.336 -4.588 1.00 0.00 H new ATOM 55 N GLY A 5 -7.760 -0.258 -3.825 1.00 0.00 N ATOM 56 CA GLY A 5 -7.241 1.011 -3.349 1.00 0.00 C ATOM 57 C GLY A 5 -7.323 1.179 -1.833 1.00 0.00 C ATOM 58 O GLY A 5 -6.723 2.117 -1.309 1.00 0.00 O ATOM 0 H GLY A 5 -8.648 -0.159 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.201 1.108 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.793 1.821 -3.826 1.00 0.00 H new ATOM 62 N ALA A 6 -8.109 0.364 -1.115 1.00 0.00 N ATOM 63 CA ALA A 6 -7.914 0.186 0.317 1.00 0.00 C ATOM 64 C ALA A 6 -6.607 -0.566 0.556 1.00 0.00 C ATOM 65 O ALA A 6 -5.782 -0.116 1.342 1.00 0.00 O ATOM 66 CB ALA A 6 -9.104 -0.531 0.957 1.00 0.00 C ATOM 0 H ALA A 6 -8.880 -0.177 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.849 1.164 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.926 -0.648 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.009 0.056 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.226 -1.513 0.500 1.00 0.00 H new ATOM 72 N LEU A 7 -6.398 -1.690 -0.144 1.00 0.00 N ATOM 73 CA LEU A 7 -5.245 -2.575 0.064 1.00 0.00 C ATOM 74 C LEU A 7 -3.945 -1.837 -0.232 1.00 0.00 C ATOM 75 O LEU A 7 -2.935 -2.062 0.421 1.00 0.00 O ATOM 76 CB LEU A 7 -5.293 -3.831 -0.835 1.00 0.00 C ATOM 77 CG LEU A 7 -6.682 -4.442 -1.029 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.610 -5.637 -1.987 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.331 -4.878 0.292 1.00 0.00 C ATOM 0 H LEU A 7 -7.030 -2.012 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.287 -2.887 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.887 -3.573 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.637 -4.589 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.309 -3.660 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.606 -6.061 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.229 -5.306 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.943 -6.394 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.314 -5.304 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.704 -5.626 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.437 -4.014 0.948 1.00 0.00 H new ATOM 91 N PHE A 8 -3.989 -0.955 -1.222 1.00 0.00 N ATOM 92 CA PHE A 8 -2.824 -0.306 -1.805 1.00 0.00 C ATOM 93 C PHE A 8 -2.105 0.594 -0.806 1.00 0.00 C ATOM 94 O PHE A 8 -0.895 0.506 -0.624 1.00 0.00 O ATOM 95 CB PHE A 8 -3.365 0.563 -2.934 1.00 0.00 C ATOM 96 CG PHE A 8 -2.305 1.192 -3.814 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.834 0.505 -4.950 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.781 2.461 -3.497 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.845 1.086 -5.764 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.789 3.038 -4.309 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.322 2.352 -5.444 1.00 0.00 C ATOM 0 H PHE A 8 -4.865 -0.663 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.106 -1.056 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.022 -0.043 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.977 1.356 -2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.232 -0.468 -5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.142 2.992 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.487 0.559 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.385 4.009 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.438 2.797 -6.070 1.00 0.00 H new ATOM 111 N LEU A 9 -2.880 1.452 -0.142 1.00 0.00 N ATOM 112 CA LEU A 9 -2.374 2.279 0.951 1.00 0.00 C ATOM 113 C LEU A 9 -2.397 1.512 2.270 1.00 0.00 C ATOM 114 O LEU A 9 -1.707 1.890 3.213 1.00 0.00 O ATOM 115 CB LEU A 9 -3.105 3.633 1.008 1.00 0.00 C ATOM 116 CG LEU A 9 -4.624 3.608 1.291 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.968 3.540 2.786 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.256 4.888 0.725 1.00 0.00 C ATOM 0 H LEU A 9 -3.870 1.592 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.328 2.516 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.629 4.241 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.948 4.141 0.057 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.013 2.706 0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.051 3.526 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.541 2.634 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.556 4.412 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.329 4.881 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.806 5.758 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.082 4.935 -0.350 1.00 0.00 H new ATOM 130 N GLY A 10 -3.217 0.461 2.335 1.00 0.00 N ATOM 131 CA GLY A 10 -3.613 -0.156 3.595 1.00 0.00 C ATOM 132 C GLY A 10 -2.840 -1.432 3.870 1.00 0.00 C ATOM 133 O GLY A 10 -1.937 -1.445 4.696 1.00 0.00 O ATOM 0 H GLY A 10 -3.624 0.016 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.451 0.549 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.680 -0.376 3.571 1.00 0.00 H new ATOM 137 N PHE A 11 -3.213 -2.513 3.188 1.00 0.00 N ATOM 138 CA PHE A 11 -2.629 -3.838 3.345 1.00 0.00 C ATOM 139 C PHE A 11 -1.142 -3.833 2.955 1.00 0.00 C ATOM 140 O PHE A 11 -0.289 -4.266 3.729 1.00 0.00 O ATOM 141 CB PHE A 11 -3.446 -4.794 2.459 1.00 0.00 C ATOM 142 CG PHE A 11 -3.019 -6.247 2.535 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.464 -7.061 3.595 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.173 -6.789 1.546 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.067 -8.408 3.665 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.778 -8.137 1.618 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.226 -8.947 2.676 1.00 0.00 C ATOM 0 H PHE A 11 -3.955 -2.487 2.488 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.668 -4.161 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.496 -4.723 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.372 -4.461 1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.111 -6.650 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.828 -6.168 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.409 -9.029 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.130 -8.550 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.924 -9.983 2.729 1.00 0.00 H new ATOM 157 N LEU A 12 -0.831 -3.270 1.782 1.00 0.00 N ATOM 158 CA LEU A 12 0.521 -3.093 1.268 1.00 0.00 C ATOM 159 C LEU A 12 1.294 -2.121 2.162 1.00 0.00 C ATOM 160 O LEU A 12 2.420 -2.422 2.546 1.00 0.00 O ATOM 161 CB LEU A 12 0.433 -2.626 -0.198 1.00 0.00 C ATOM 162 CG LEU A 12 1.718 -1.994 -0.766 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.894 -2.980 -0.780 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.475 -1.509 -2.203 1.00 0.00 C ATOM 0 H LEU A 12 -1.544 -2.914 1.145 1.00 0.00 H new ATOM 0 HA LEU A 12 1.073 -4.033 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.163 -3.480 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.377 -1.902 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 12 1.974 -1.159 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.777 -2.488 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.102 -3.312 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.640 -3.841 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.389 -1.064 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.185 -2.354 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.678 -0.765 -2.206 1.00 0.00 H new ATOM 176 N GLY A 13 0.685 -0.992 2.540 1.00 0.00 N ATOM 177 CA GLY A 13 1.360 0.016 3.351 1.00 0.00 C ATOM 178 C GLY A 13 1.633 -0.475 4.778 1.00 0.00 C ATOM 179 O GLY A 13 2.702 -0.189 5.316 1.00 0.00 O ATOM 0 H GLY A 13 -0.277 -0.757 2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.302 0.290 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.749 0.918 3.390 1.00 0.00 H new ATOM 183 N ALA A 14 0.733 -1.266 5.376 1.00 0.00 N ATOM 184 CA ALA A 14 0.978 -1.945 6.645 1.00 0.00 C ATOM 185 C ALA A 14 2.135 -2.940 6.514 1.00 0.00 C ATOM 186 O ALA A 14 2.995 -2.994 7.391 1.00 0.00 O ATOM 187 CB ALA A 14 -0.294 -2.651 7.124 1.00 0.00 C ATOM 0 H ALA A 14 -0.191 -1.451 4.986 1.00 0.00 H new ATOM 0 HA ALA A 14 1.259 -1.198 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.097 -3.153 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.088 -1.917 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.604 -3.386 6.381 1.00 0.00 H new ATOM 193 N ALA A 15 2.205 -3.679 5.399 1.00 0.00 N ATOM 194 CA ALA A 15 3.356 -4.509 5.050 1.00 0.00 C ATOM 195 C ALA A 15 4.553 -3.722 4.519 1.00 0.00 C ATOM 196 O ALA A 15 5.454 -4.321 3.930 1.00 0.00 O ATOM 197 CB ALA A 15 2.970 -5.578 4.035 1.00 0.00 C ATOM 0 H ALA A 15 1.454 -3.715 4.710 1.00 0.00 H new ATOM 0 HA ALA A 15 3.667 -4.970 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.844 -6.182 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.194 -6.217 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.595 -5.101 3.129 1.00 0.00 H new ATOM 203 N GLY A 16 4.584 -2.403 4.712 1.00 0.00 N ATOM 204 CA GLY A 16 5.533 -1.477 4.109 1.00 0.00 C ATOM 205 C GLY A 16 6.915 -1.556 4.755 1.00 0.00 C ATOM 206 O GLY A 16 7.569 -0.533 4.955 1.00 0.00 O ATOM 0 H GLY A 16 3.915 -1.933 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.620 -1.692 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.151 -0.460 4.198 1.00 0.00 H new ATOM 210 N SER A 17 7.377 -2.776 5.049 1.00 0.00 N ATOM 211 CA SER A 17 8.791 -3.032 5.296 1.00 0.00 C ATOM 212 C SER A 17 9.534 -2.727 3.995 1.00 0.00 C ATOM 213 O SER A 17 9.113 -3.178 2.931 1.00 0.00 O ATOM 214 CB SER A 17 8.986 -4.491 5.711 1.00 0.00 C ATOM 215 OG SER A 17 8.321 -4.723 6.935 1.00 0.00 O ATOM 0 H SER A 17 6.784 -3.603 5.121 1.00 0.00 H new ATOM 0 HA SER A 17 9.175 -2.408 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.595 -5.155 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.048 -4.713 5.814 1.00 0.00 H new ATOM 0 HG SER A 17 8.443 -5.658 7.202 1.00 0.00 H new ATOM 221 N THR A 18 10.632 -1.969 4.058 1.00 0.00 N ATOM 222 CA THR A 18 11.240 -1.302 2.902 1.00 0.00 C ATOM 223 C THR A 18 11.868 -2.263 1.880 1.00 0.00 C ATOM 224 O THR A 18 12.193 -1.843 0.768 1.00 0.00 O ATOM 225 CB THR A 18 12.270 -0.278 3.411 1.00 0.00 C ATOM 226 OG1 THR A 18 13.060 -0.852 4.436 1.00 0.00 O ATOM 227 CG2 THR A 18 11.577 0.966 3.982 1.00 0.00 C ATOM 0 H THR A 18 11.133 -1.798 4.930 1.00 0.00 H new ATOM 0 HA THR A 18 10.441 -0.802 2.355 1.00 0.00 H new ATOM 0 HB THR A 18 12.893 0.010 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.714 -0.194 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.329 1.672 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.974 1.436 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.935 0.675 4.813 1.00 0.00 H new ATOM 235 N VAL A 19 11.987 -3.553 2.218 1.00 0.00 N ATOM 236 CA VAL A 19 12.096 -4.655 1.262 1.00 0.00 C ATOM 237 C VAL A 19 11.083 -4.477 0.120 1.00 0.00 C ATOM 238 O VAL A 19 11.484 -4.509 -1.043 1.00 0.00 O ATOM 239 CB VAL A 19 11.968 -6.019 1.978 1.00 0.00 C ATOM 240 CG1 VAL A 19 12.142 -7.186 0.993 1.00 0.00 C ATOM 241 CG2 VAL A 19 13.022 -6.169 3.090 1.00 0.00 C ATOM 0 H VAL A 19 12.010 -3.864 3.189 1.00 0.00 H new ATOM 0 HA VAL A 19 13.087 -4.639 0.808 1.00 0.00 H new ATOM 0 HB VAL A 19 10.968 -6.048 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.046 -8.131 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.375 -7.127 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.128 -7.129 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.905 -7.139 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.020 -6.097 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.888 -5.377 3.827 1.00 0.00 H new ATOM 251 N GLY A 20 9.804 -4.220 0.435 1.00 0.00 N ATOM 252 CA GLY A 20 8.716 -3.967 -0.514 1.00 0.00 C ATOM 253 C GLY A 20 8.768 -2.555 -1.105 1.00 0.00 C ATOM 254 O GLY A 20 7.751 -1.866 -1.179 1.00 0.00 O ATOM 0 H GLY A 20 9.489 -4.182 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.766 -4.697 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.759 -4.112 -0.012 1.00 0.00 H new ATOM 258 N ALA A 21 9.976 -2.123 -1.460 1.00 0.00 N ATOM 259 CA ALA A 21 10.299 -0.968 -2.275 1.00 0.00 C ATOM 260 C ALA A 21 11.671 -1.231 -2.900 1.00 0.00 C ATOM 261 O ALA A 21 11.838 -1.089 -4.109 1.00 0.00 O ATOM 262 CB ALA A 21 10.317 0.308 -1.421 1.00 0.00 C ATOM 0 H ALA A 21 10.817 -2.615 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 21 9.549 -0.818 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.561 1.164 -2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.336 0.458 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.066 0.210 -0.636 1.00 0.00 H new ATOM 268 N ALA A 22 12.647 -1.659 -2.084 1.00 0.00 N ATOM 269 CA ALA A 22 13.992 -2.008 -2.534 1.00 0.00 C ATOM 270 C ALA A 22 13.989 -3.183 -3.522 1.00 0.00 C ATOM 271 O ALA A 22 14.790 -3.201 -4.454 1.00 0.00 O ATOM 272 CB ALA A 22 14.856 -2.339 -1.313 1.00 0.00 C ATOM 0 H ALA A 22 12.516 -1.772 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 22 14.406 -1.152 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.862 -2.601 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.902 -1.472 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.419 -3.180 -0.775 1.00 0.00 H new ATOM 278 N SER A 23 13.092 -4.156 -3.326 1.00 0.00 N ATOM 279 CA SER A 23 12.864 -5.281 -4.226 1.00 0.00 C ATOM 280 C SER A 23 12.022 -4.902 -5.454 1.00 0.00 C ATOM 281 O SER A 23 11.825 -5.766 -6.313 1.00 0.00 O ATOM 282 CB SER A 23 12.168 -6.412 -3.454 1.00 0.00 C ATOM 283 OG SER A 23 12.107 -7.569 -4.266 1.00 0.00 O ATOM 0 H SER A 23 12.486 -4.178 -2.506 1.00 0.00 H new ATOM 0 HA SER A 23 13.837 -5.605 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.713 -6.628 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.163 -6.104 -3.164 1.00 0.00 H new ATOM 0 HG SER A 23 11.944 -7.308 -5.196 1.00 0.00 H new ATOM 289 N GLY A 24 11.437 -3.700 -5.479 1.00 0.00 N ATOM 290 CA GLY A 24 10.132 -3.471 -6.077 1.00 0.00 C ATOM 291 C GLY A 24 9.052 -3.764 -5.039 1.00 0.00 C ATOM 292 O GLY A 24 9.405 -3.880 -3.841 1.00 0.00 O ATOM 0 H GLY A 24 11.862 -2.862 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.052 -2.441 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.000 -4.111 -6.949 1.00 0.00 H new TER 296 GLY A 24