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+ 135:sc= 0.0188 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00185 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 89:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.090 5.829 -1.614 1.00 0.00 N ATOM 2 CA ALA A 1 -8.832 4.387 -1.445 1.00 0.00 C ATOM 3 C ALA A 1 -10.065 3.752 -0.808 1.00 0.00 C ATOM 4 O ALA A 1 -10.536 4.294 0.187 1.00 0.00 O ATOM 5 CB ALA A 1 -7.587 4.181 -0.575 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.258 6.369 -1.302 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.280 6.033 -2.616 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.915 6.103 -1.043 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.643 3.914 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.401 3.114 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.727 4.647 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.747 4.635 0.403 1.00 0.00 H new ATOM 13 N VAL A 2 -10.624 2.684 -1.402 1.00 0.00 N ATOM 14 CA VAL A 2 -11.893 2.093 -0.951 1.00 0.00 C ATOM 15 C VAL A 2 -11.842 0.557 -1.012 1.00 0.00 C ATOM 16 O VAL A 2 -11.837 -0.089 0.030 1.00 0.00 O ATOM 17 CB VAL A 2 -13.100 2.670 -1.741 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.429 2.189 -1.135 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.131 4.208 -1.784 1.00 0.00 C ATOM 0 H VAL A 2 -10.210 2.209 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.039 2.368 0.094 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.975 2.303 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.260 2.605 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.473 1.101 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.497 2.520 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.001 4.539 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.191 4.599 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.224 4.577 -2.262 1.00 0.00 H new ATOM 29 N GLY A 3 -11.888 -0.029 -2.215 1.00 0.00 N ATOM 30 CA GLY A 3 -11.755 -1.457 -2.464 1.00 0.00 C ATOM 31 C GLY A 3 -10.290 -1.863 -2.525 1.00 0.00 C ATOM 32 O GLY A 3 -9.543 -1.753 -1.558 1.00 0.00 O ATOM 0 H GLY A 3 -12.025 0.507 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.259 -2.016 -1.676 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.247 -1.714 -3.402 1.00 0.00 H new ATOM 36 N ILE A 4 -9.854 -2.247 -3.728 1.00 0.00 N ATOM 37 CA ILE A 4 -8.489 -2.707 -4.000 1.00 0.00 C ATOM 38 C ILE A 4 -7.468 -1.627 -3.605 1.00 0.00 C ATOM 39 O ILE A 4 -6.394 -1.934 -3.091 1.00 0.00 O ATOM 40 CB ILE A 4 -8.353 -3.135 -5.483 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.420 -4.167 -5.924 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.945 -3.677 -5.790 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.483 -5.454 -5.088 1.00 0.00 C ATOM 0 H ILE A 4 -10.451 -2.247 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.276 -3.585 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.521 -2.227 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.398 -3.687 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.230 -4.438 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.888 -3.967 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.205 -2.903 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.744 -4.545 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.263 -6.106 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.522 -5.967 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.709 -5.204 -4.051 1.00 0.00 H new ATOM 55 N GLY A 5 -7.838 -0.353 -3.761 1.00 0.00 N ATOM 56 CA GLY A 5 -7.002 0.785 -3.413 1.00 0.00 C ATOM 57 C GLY A 5 -6.764 0.875 -1.905 1.00 0.00 C ATOM 58 O GLY A 5 -5.710 1.339 -1.475 1.00 0.00 O ATOM 0 H GLY A 5 -8.746 -0.085 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.045 0.704 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.474 1.703 -3.762 1.00 0.00 H new ATOM 62 N ALA A 6 -7.739 0.447 -1.094 1.00 0.00 N ATOM 63 CA ALA A 6 -7.570 0.330 0.345 1.00 0.00 C ATOM 64 C ALA A 6 -6.601 -0.793 0.703 1.00 0.00 C ATOM 65 O ALA A 6 -5.853 -0.649 1.664 1.00 0.00 O ATOM 66 CB ALA A 6 -8.928 0.130 1.004 1.00 0.00 C ATOM 0 H ALA A 6 -8.664 0.174 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.132 1.254 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.800 0.042 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.569 0.984 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.389 -0.779 0.619 1.00 0.00 H new ATOM 72 N LEU A 7 -6.557 -1.884 -0.070 1.00 0.00 N ATOM 73 CA LEU A 7 -5.547 -2.920 0.120 1.00 0.00 C ATOM 74 C LEU A 7 -4.188 -2.354 -0.241 1.00 0.00 C ATOM 75 O LEU A 7 -3.216 -2.582 0.459 1.00 0.00 O ATOM 76 CB LEU A 7 -5.809 -4.180 -0.730 1.00 0.00 C ATOM 77 CG LEU A 7 -7.278 -4.602 -0.827 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.419 -5.809 -1.763 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.888 -4.935 0.541 1.00 0.00 C ATOM 0 H LEU A 7 -7.210 -2.068 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.586 -3.223 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.429 -4.006 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.236 -5.008 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.827 -3.751 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.467 -6.101 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.057 -5.543 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.833 -6.642 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.930 -5.228 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.334 -5.756 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.834 -4.058 1.187 1.00 0.00 H new ATOM 91 N PHE A 8 -4.129 -1.588 -1.320 1.00 0.00 N ATOM 92 CA PHE A 8 -2.871 -1.026 -1.810 1.00 0.00 C ATOM 93 C PHE A 8 -2.243 -0.071 -0.799 1.00 0.00 C ATOM 94 O PHE A 8 -1.069 -0.176 -0.454 1.00 0.00 O ATOM 95 CB PHE A 8 -3.177 -0.199 -3.050 1.00 0.00 C ATOM 96 CG PHE A 8 -2.763 -0.844 -4.357 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.378 -2.036 -4.786 1.00 0.00 C ATOM 98 CD2 PHE A 8 -1.734 -0.272 -5.130 1.00 0.00 C ATOM 99 CE1 PHE A 8 -2.971 -2.648 -5.984 1.00 0.00 C ATOM 100 CE2 PHE A 8 -1.328 -0.885 -6.328 1.00 0.00 C ATOM 101 CZ PHE A 8 -1.946 -2.073 -6.756 1.00 0.00 C ATOM 0 H PHE A 8 -4.944 -1.337 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.187 -1.852 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.248 0.001 -3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.675 0.765 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.164 -2.481 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.256 0.639 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.446 -3.561 -6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.540 -0.443 -6.920 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.634 -2.543 -7.677 1.00 0.00 H new ATOM 111 N LEU A 9 -3.056 0.859 -0.308 1.00 0.00 N ATOM 112 CA LEU A 9 -2.610 1.827 0.676 1.00 0.00 C ATOM 113 C LEU A 9 -2.367 1.107 1.998 1.00 0.00 C ATOM 114 O LEU A 9 -1.464 1.449 2.755 1.00 0.00 O ATOM 115 CB LEU A 9 -3.724 2.891 0.807 1.00 0.00 C ATOM 116 CG LEU A 9 -3.701 3.703 2.113 1.00 0.00 C ATOM 117 CD1 LEU A 9 -2.478 4.625 2.193 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.981 4.539 2.230 1.00 0.00 C ATOM 0 H LEU A 9 -4.034 0.959 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.678 2.311 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.646 3.581 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.691 2.395 0.723 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.641 2.994 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.501 5.180 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.568 4.027 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.494 5.325 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.958 5.112 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.048 5.222 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.848 3.878 2.233 1.00 0.00 H new ATOM 130 N GLY A 10 -3.247 0.154 2.276 1.00 0.00 N ATOM 131 CA GLY A 10 -3.472 -0.362 3.622 1.00 0.00 C ATOM 132 C GLY A 10 -2.786 -1.698 3.849 1.00 0.00 C ATOM 133 O GLY A 10 -1.783 -1.773 4.551 1.00 0.00 O ATOM 0 H GLY A 10 -3.831 -0.288 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.106 0.360 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.543 -0.472 3.792 1.00 0.00 H new ATOM 137 N PHE A 11 -3.343 -2.755 3.261 1.00 0.00 N ATOM 138 CA PHE A 11 -2.876 -4.132 3.395 1.00 0.00 C ATOM 139 C PHE A 11 -1.412 -4.270 2.939 1.00 0.00 C ATOM 140 O PHE A 11 -0.574 -4.803 3.664 1.00 0.00 O ATOM 141 CB PHE A 11 -3.827 -5.030 2.578 1.00 0.00 C ATOM 142 CG PHE A 11 -3.605 -6.514 2.788 1.00 0.00 C ATOM 143 CD1 PHE A 11 -2.666 -7.208 1.999 1.00 0.00 C ATOM 144 CD2 PHE A 11 -4.330 -7.204 3.778 1.00 0.00 C ATOM 145 CE1 PHE A 11 -2.451 -8.583 2.204 1.00 0.00 C ATOM 146 CE2 PHE A 11 -4.117 -8.580 3.980 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.176 -9.269 3.194 1.00 0.00 C ATOM 0 H PHE A 11 -4.161 -2.672 2.657 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.892 -4.441 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.856 -4.786 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.706 -4.801 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.111 -6.683 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.051 -6.676 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.728 -9.112 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.676 -9.107 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.010 -10.325 3.351 1.00 0.00 H new ATOM 157 N LEU A 12 -1.103 -3.735 1.755 1.00 0.00 N ATOM 158 CA LEU A 12 0.228 -3.615 1.174 1.00 0.00 C ATOM 159 C LEU A 12 1.053 -2.604 1.970 1.00 0.00 C ATOM 160 O LEU A 12 2.182 -2.920 2.335 1.00 0.00 O ATOM 161 CB LEU A 12 0.084 -3.237 -0.317 1.00 0.00 C ATOM 162 CG LEU A 12 1.276 -2.504 -0.971 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.516 -3.398 -1.041 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.909 -2.051 -2.392 1.00 0.00 C ATOM 0 H LEU A 12 -1.823 -3.352 1.142 1.00 0.00 H new ATOM 0 HA LEU A 12 0.765 -4.562 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.104 -4.150 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.800 -2.609 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 12 1.503 -1.638 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.334 -2.849 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.806 -3.697 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.292 -4.286 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.759 -1.536 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.652 -2.921 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.056 -1.374 -2.349 1.00 0.00 H new ATOM 176 N GLY A 13 0.515 -1.413 2.268 1.00 0.00 N ATOM 177 CA GLY A 13 1.323 -0.361 2.880 1.00 0.00 C ATOM 178 C GLY A 13 1.733 -0.695 4.315 1.00 0.00 C ATOM 179 O GLY A 13 2.812 -0.285 4.740 1.00 0.00 O ATOM 0 H GLY A 13 -0.459 -1.161 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.218 -0.199 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.761 0.573 2.874 1.00 0.00 H new ATOM 183 N ALA A 14 0.953 -1.509 5.037 1.00 0.00 N ATOM 184 CA ALA A 14 1.355 -2.068 6.323 1.00 0.00 C ATOM 185 C ALA A 14 2.608 -2.939 6.175 1.00 0.00 C ATOM 186 O ALA A 14 3.491 -2.882 7.027 1.00 0.00 O ATOM 187 CB ALA A 14 0.198 -2.880 6.916 1.00 0.00 C ATOM 0 H ALA A 14 0.021 -1.797 4.739 1.00 0.00 H new ATOM 0 HA ALA A 14 1.599 -1.250 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.501 -3.297 7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.666 -2.231 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.064 -3.690 6.236 1.00 0.00 H new ATOM 193 N ALA A 15 2.705 -3.722 5.092 1.00 0.00 N ATOM 194 CA ALA A 15 3.912 -4.449 4.706 1.00 0.00 C ATOM 195 C ALA A 15 4.959 -3.596 3.988 1.00 0.00 C ATOM 196 O ALA A 15 5.919 -4.134 3.434 1.00 0.00 O ATOM 197 CB ALA A 15 3.548 -5.670 3.866 1.00 0.00 C ATOM 0 H ALA A 15 1.927 -3.868 4.449 1.00 0.00 H new ATOM 0 HA ALA A 15 4.381 -4.764 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.457 -6.202 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.904 -6.332 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.023 -5.349 2.966 1.00 0.00 H new ATOM 203 N GLY A 16 4.833 -2.271 4.034 1.00 0.00 N ATOM 204 CA GLY A 16 5.780 -1.322 3.461 1.00 0.00 C ATOM 205 C GLY A 16 7.040 -1.205 4.319 1.00 0.00 C ATOM 206 O GLY A 16 7.594 -0.117 4.448 1.00 0.00 O ATOM 0 H GLY A 16 4.041 -1.815 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.052 -1.639 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.308 -0.344 3.370 1.00 0.00 H new ATOM 210 N SER A 17 7.473 -2.317 4.925 1.00 0.00 N ATOM 211 CA SER A 17 8.442 -2.358 6.012 1.00 0.00 C ATOM 212 C SER A 17 9.817 -1.845 5.574 1.00 0.00 C ATOM 213 O SER A 17 10.512 -1.200 6.357 1.00 0.00 O ATOM 214 CB SER A 17 8.542 -3.803 6.517 1.00 0.00 C ATOM 215 OG SER A 17 7.249 -4.355 6.697 1.00 0.00 O ATOM 0 H SER A 17 7.142 -3.244 4.657 1.00 0.00 H new ATOM 0 HA SER A 17 8.103 -1.699 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.105 -4.406 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.089 -3.828 7.459 1.00 0.00 H new ATOM 0 HG SER A 17 7.329 -5.278 7.018 1.00 0.00 H new ATOM 221 N THR A 18 10.194 -2.072 4.311 1.00 0.00 N ATOM 222 CA THR A 18 11.372 -1.493 3.669 1.00 0.00 C ATOM 223 C THR A 18 11.079 -0.025 3.303 1.00 0.00 C ATOM 224 O THR A 18 11.128 0.357 2.134 1.00 0.00 O ATOM 225 CB THR A 18 11.754 -2.365 2.452 1.00 0.00 C ATOM 226 OG1 THR A 18 11.659 -3.740 2.781 1.00 0.00 O ATOM 227 CG2 THR A 18 13.185 -2.101 1.966 1.00 0.00 C ATOM 0 H THR A 18 9.667 -2.685 3.689 1.00 0.00 H new ATOM 0 HA THR A 18 12.231 -1.484 4.340 1.00 0.00 H new ATOM 0 HB THR A 18 11.056 -2.101 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.902 -4.281 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.402 -2.739 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.283 -1.056 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.888 -2.320 2.769 1.00 0.00 H new ATOM 235 N VAL A 19 10.700 0.778 4.305 1.00 0.00 N ATOM 236 CA VAL A 19 10.384 2.199 4.200 1.00 0.00 C ATOM 237 C VAL A 19 11.398 2.954 3.328 1.00 0.00 C ATOM 238 O VAL A 19 12.575 3.056 3.670 1.00 0.00 O ATOM 239 CB VAL A 19 10.171 2.843 5.583 1.00 0.00 C ATOM 240 CG1 VAL A 19 8.881 2.325 6.237 1.00 0.00 C ATOM 241 CG2 VAL A 19 11.329 2.634 6.577 1.00 0.00 C ATOM 0 H VAL A 19 10.602 0.431 5.259 1.00 0.00 H new ATOM 0 HA VAL A 19 9.429 2.282 3.680 1.00 0.00 H new ATOM 0 HB VAL A 19 10.111 3.911 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.753 2.795 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.029 2.568 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.944 1.244 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.090 3.122 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.475 1.567 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.243 3.065 6.167 1.00 0.00 H new ATOM 251 N GLY A 20 10.936 3.474 2.187 1.00 0.00 N ATOM 252 CA GLY A 20 11.820 4.008 1.153 1.00 0.00 C ATOM 253 C GLY A 20 12.180 5.478 1.361 1.00 0.00 C ATOM 254 O GLY A 20 13.226 5.918 0.892 1.00 0.00 O ATOM 0 H GLY A 20 9.944 3.535 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.736 3.418 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.340 3.893 0.181 1.00 0.00 H new ATOM 258 N ALA A 21 11.322 6.235 2.055 1.00 0.00 N ATOM 259 CA ALA A 21 11.499 7.655 2.336 1.00 0.00 C ATOM 260 C ALA A 21 10.792 7.990 3.654 1.00 0.00 C ATOM 261 O ALA A 21 9.852 8.781 3.694 1.00 0.00 O ATOM 262 CB ALA A 21 10.973 8.483 1.154 1.00 0.00 C ATOM 0 H ALA A 21 10.459 5.859 2.447 1.00 0.00 H new ATOM 0 HA ALA A 21 12.554 7.902 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.106 9.544 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.525 8.221 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.914 8.273 1.005 1.00 0.00 H new ATOM 268 N ALA A 22 11.227 7.353 4.749 1.00 0.00 N ATOM 269 CA ALA A 22 10.625 7.540 6.073 1.00 0.00 C ATOM 270 C ALA A 22 10.744 8.992 6.559 1.00 0.00 C ATOM 271 O ALA A 22 9.907 9.458 7.327 1.00 0.00 O ATOM 272 CB ALA A 22 11.271 6.583 7.079 1.00 0.00 C ATOM 0 H ALA A 22 12.006 6.694 4.741 1.00 0.00 H new ATOM 0 HA ALA A 22 9.562 7.314 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.819 6.727 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.114 5.554 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.340 6.785 7.139 1.00 0.00 H new ATOM 278 N SER A 23 11.783 9.699 6.109 1.00 0.00 N ATOM 279 CA SER A 23 12.028 11.118 6.309 1.00 0.00 C ATOM 280 C SER A 23 11.084 12.033 5.516 1.00 0.00 C ATOM 281 O SER A 23 11.082 13.240 5.757 1.00 0.00 O ATOM 282 CB SER A 23 13.474 11.374 5.851 1.00 0.00 C ATOM 283 OG SER A 23 13.773 10.660 4.657 1.00 0.00 O ATOM 0 H SER A 23 12.522 9.260 5.559 1.00 0.00 H new ATOM 0 HA SER A 23 11.855 11.354 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.622 12.441 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.165 11.075 6.639 1.00 0.00 H new ATOM 0 HG SER A 23 13.540 11.210 3.880 1.00 0.00 H new ATOM 289 N GLY A 24 10.344 11.494 4.539 1.00 0.00 N ATOM 290 CA GLY A 24 10.150 12.202 3.281 1.00 0.00 C ATOM 291 C GLY A 24 11.431 12.149 2.447 1.00 0.00 C ATOM 292 O GLY A 24 12.418 11.523 2.912 1.00 0.00 O ATOM 0 H GLY A 24 9.880 10.587 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.326 11.754 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.876 13.239 3.476 1.00 0.00 H new TER 296 GLY A 24