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= 0.0316 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc=0.000235 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.947 5.555 -1.275 1.00 0.00 N ATOM 2 CA ALA A 1 -9.489 4.153 -1.246 1.00 0.00 C ATOM 3 C ALA A 1 -10.634 3.290 -0.722 1.00 0.00 C ATOM 4 O ALA A 1 -11.210 3.664 0.294 1.00 0.00 O ATOM 5 CB ALA A 1 -8.249 4.024 -0.356 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.133 6.189 -1.142 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.395 5.755 -2.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.636 5.711 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.211 3.820 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.918 2.985 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.451 4.653 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.494 4.342 0.658 1.00 0.00 H new ATOM 13 N VAL A 2 -11.007 2.211 -1.430 1.00 0.00 N ATOM 14 CA VAL A 2 -12.186 1.403 -1.084 1.00 0.00 C ATOM 15 C VAL A 2 -11.906 -0.097 -1.276 1.00 0.00 C ATOM 16 O VAL A 2 -11.876 -0.835 -0.299 1.00 0.00 O ATOM 17 CB VAL A 2 -13.444 1.866 -1.868 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.701 1.130 -1.373 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.713 3.377 -1.763 1.00 0.00 C ATOM 0 H VAL A 2 -10.504 1.877 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.398 1.559 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.232 1.627 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.569 1.472 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.574 0.057 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.852 1.339 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.606 3.628 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.863 3.648 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.861 3.927 -2.162 1.00 0.00 H new ATOM 29 N GLY A 3 -11.787 -0.561 -2.527 1.00 0.00 N ATOM 30 CA GLY A 3 -11.455 -1.930 -2.887 1.00 0.00 C ATOM 31 C GLY A 3 -9.950 -2.148 -2.857 1.00 0.00 C ATOM 32 O GLY A 3 -9.296 -2.038 -1.825 1.00 0.00 O ATOM 0 H GLY A 3 -11.926 0.037 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.940 -2.620 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.839 -2.152 -3.883 1.00 0.00 H new ATOM 36 N ILE A 4 -9.385 -2.364 -4.048 1.00 0.00 N ATOM 37 CA ILE A 4 -7.959 -2.641 -4.243 1.00 0.00 C ATOM 38 C ILE A 4 -7.105 -1.493 -3.683 1.00 0.00 C ATOM 39 O ILE A 4 -6.040 -1.727 -3.117 1.00 0.00 O ATOM 40 CB ILE A 4 -7.663 -2.919 -5.738 1.00 0.00 C ATOM 41 CG1 ILE A 4 -8.566 -4.021 -6.347 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.182 -3.272 -5.967 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.526 -5.380 -5.633 1.00 0.00 C ATOM 0 H ILE A 4 -9.915 -2.351 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.691 -3.540 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.893 -1.988 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.595 -3.662 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.277 -4.169 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.013 -3.460 -7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.555 -2.442 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.928 -4.164 -5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.193 -6.077 -6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.509 -5.772 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.848 -5.257 -4.599 1.00 0.00 H new ATOM 55 N GLY A 5 -7.609 -0.258 -3.759 1.00 0.00 N ATOM 56 CA GLY A 5 -6.936 0.927 -3.247 1.00 0.00 C ATOM 57 C GLY A 5 -6.817 0.895 -1.725 1.00 0.00 C ATOM 58 O GLY A 5 -5.846 1.411 -1.176 1.00 0.00 O ATOM 0 H GLY A 5 -8.513 -0.056 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.942 1.000 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.486 1.818 -3.550 1.00 0.00 H new ATOM 62 N ALA A 6 -7.796 0.298 -1.034 1.00 0.00 N ATOM 63 CA ALA A 6 -7.723 0.089 0.401 1.00 0.00 C ATOM 64 C ALA A 6 -6.651 -0.943 0.752 1.00 0.00 C ATOM 65 O ALA A 6 -6.002 -0.799 1.780 1.00 0.00 O ATOM 66 CB ALA A 6 -9.098 -0.306 0.931 1.00 0.00 C ATOM 0 H ALA A 6 -8.655 -0.050 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.428 1.020 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.042 -0.463 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.813 0.489 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.424 -1.227 0.447 1.00 0.00 H new ATOM 72 N LEU A 7 -6.402 -1.945 -0.103 1.00 0.00 N ATOM 73 CA LEU A 7 -5.260 -2.842 0.054 1.00 0.00 C ATOM 74 C LEU A 7 -3.978 -2.060 -0.186 1.00 0.00 C ATOM 75 O LEU A 7 -2.993 -2.240 0.508 1.00 0.00 O ATOM 76 CB LEU A 7 -5.307 -4.041 -0.916 1.00 0.00 C ATOM 77 CG LEU A 7 -6.698 -4.644 -1.144 1.00 0.00 C ATOM 78 CD1 LEU A 7 -6.625 -5.762 -2.191 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.322 -5.189 0.148 1.00 0.00 C ATOM 0 H LEU A 7 -6.984 -2.151 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.295 -3.240 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.904 -3.725 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.648 -4.822 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.338 -3.838 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.619 -6.182 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.254 -5.356 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.950 -6.544 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.306 -5.604 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.682 -5.969 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.422 -4.381 0.873 1.00 0.00 H new ATOM 91 N PHE A 8 -3.993 -1.175 -1.169 1.00 0.00 N ATOM 92 CA PHE A 8 -2.806 -0.454 -1.620 1.00 0.00 C ATOM 93 C PHE A 8 -2.254 0.479 -0.544 1.00 0.00 C ATOM 94 O PHE A 8 -1.071 0.477 -0.218 1.00 0.00 O ATOM 95 CB PHE A 8 -3.222 0.398 -2.808 1.00 0.00 C ATOM 96 CG PHE A 8 -2.127 0.584 -3.837 1.00 0.00 C ATOM 97 CD1 PHE A 8 -1.181 1.616 -3.690 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.027 -0.310 -4.919 1.00 0.00 C ATOM 99 CE1 PHE A 8 -0.141 1.754 -4.626 1.00 0.00 C ATOM 100 CE2 PHE A 8 -0.987 -0.171 -5.855 1.00 0.00 C ATOM 101 CZ PHE A 8 -0.043 0.861 -5.708 1.00 0.00 C ATOM 0 H PHE A 8 -4.839 -0.931 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.030 -1.179 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.086 -0.061 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.540 1.376 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.254 2.301 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.750 -1.104 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.584 2.547 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.913 -0.856 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.757 0.968 -6.426 1.00 0.00 H new ATOM 111 N LEU A 9 -3.154 1.275 0.022 1.00 0.00 N ATOM 112 CA LEU A 9 -2.864 2.164 1.130 1.00 0.00 C ATOM 113 C LEU A 9 -2.654 1.317 2.380 1.00 0.00 C ATOM 114 O LEU A 9 -1.842 1.648 3.239 1.00 0.00 O ATOM 115 CB LEU A 9 -4.072 3.119 1.271 1.00 0.00 C ATOM 116 CG LEU A 9 -4.284 3.735 2.666 1.00 0.00 C ATOM 117 CD1 LEU A 9 -3.169 4.717 3.046 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.632 4.470 2.706 1.00 0.00 C ATOM 0 H LEU A 9 -4.125 1.318 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.961 2.754 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.956 3.929 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.975 2.575 0.995 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.269 2.917 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.365 5.124 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.211 4.196 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.137 5.530 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.780 4.905 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.637 5.261 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.437 3.766 2.496 1.00 0.00 H new ATOM 130 N GLY A 10 -3.438 0.247 2.480 1.00 0.00 N ATOM 131 CA GLY A 10 -3.691 -0.412 3.761 1.00 0.00 C ATOM 132 C GLY A 10 -2.854 -1.667 3.950 1.00 0.00 C ATOM 133 O GLY A 10 -1.935 -1.685 4.760 1.00 0.00 O ATOM 0 H GLY A 10 -3.912 -0.185 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.481 0.286 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.748 -0.671 3.829 1.00 0.00 H new ATOM 137 N PHE A 11 -3.185 -2.724 3.213 1.00 0.00 N ATOM 138 CA PHE A 11 -2.525 -4.024 3.266 1.00 0.00 C ATOM 139 C PHE A 11 -1.039 -3.911 2.871 1.00 0.00 C ATOM 140 O PHE A 11 -0.154 -4.354 3.604 1.00 0.00 O ATOM 141 CB PHE A 11 -3.303 -4.959 2.317 1.00 0.00 C ATOM 142 CG PHE A 11 -2.848 -6.404 2.355 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.413 -7.299 3.282 1.00 0.00 C ATOM 144 CD2 PHE A 11 -1.856 -6.856 1.463 1.00 0.00 C ATOM 145 CE1 PHE A 11 -2.994 -8.641 3.313 1.00 0.00 C ATOM 146 CE2 PHE A 11 -1.435 -8.197 1.496 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.006 -9.091 2.420 1.00 0.00 C ATOM 0 H PHE A 11 -3.949 -2.697 2.538 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.533 -4.424 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.362 -4.917 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.205 -4.586 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.170 -6.955 3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.418 -6.171 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.432 -9.327 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.673 -8.541 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.686 -10.122 2.443 1.00 0.00 H new ATOM 157 N LEU A 12 -0.767 -3.246 1.744 1.00 0.00 N ATOM 158 CA LEU A 12 0.559 -2.922 1.235 1.00 0.00 C ATOM 159 C LEU A 12 1.238 -1.908 2.157 1.00 0.00 C ATOM 160 O LEU A 12 2.408 -2.096 2.473 1.00 0.00 O ATOM 161 CB LEU A 12 0.430 -2.440 -0.226 1.00 0.00 C ATOM 162 CG LEU A 12 1.541 -1.503 -0.748 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.904 -2.201 -0.817 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.191 -1.003 -2.158 1.00 0.00 C ATOM 0 H LEU A 12 -1.509 -2.903 1.134 1.00 0.00 H new ATOM 0 HA LEU A 12 1.202 -3.802 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.394 -3.317 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.526 -1.927 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 12 1.606 -0.673 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.652 -1.502 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.189 -2.541 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.841 -3.057 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.981 -0.343 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.095 -1.854 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.248 -0.457 -2.127 1.00 0.00 H new ATOM 176 N GLY A 13 0.524 -0.884 2.641 1.00 0.00 N ATOM 177 CA GLY A 13 1.148 0.112 3.510 1.00 0.00 C ATOM 178 C GLY A 13 1.530 -0.472 4.875 1.00 0.00 C ATOM 179 O GLY A 13 2.594 -0.139 5.393 1.00 0.00 O ATOM 0 H GLY A 13 -0.465 -0.728 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.039 0.509 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.463 0.948 3.653 1.00 0.00 H new ATOM 183 N ALA A 14 0.735 -1.398 5.428 1.00 0.00 N ATOM 184 CA ALA A 14 1.094 -2.158 6.623 1.00 0.00 C ATOM 185 C ALA A 14 2.350 -2.999 6.374 1.00 0.00 C ATOM 186 O ALA A 14 3.245 -3.025 7.216 1.00 0.00 O ATOM 187 CB ALA A 14 -0.079 -3.044 7.055 1.00 0.00 C ATOM 0 H ALA A 14 -0.182 -1.639 5.052 1.00 0.00 H new ATOM 0 HA ALA A 14 1.315 -1.458 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.199 -3.606 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.945 -2.420 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.327 -3.737 6.251 1.00 0.00 H new ATOM 193 N ALA A 15 2.452 -3.637 5.202 1.00 0.00 N ATOM 194 CA ALA A 15 3.662 -4.319 4.747 1.00 0.00 C ATOM 195 C ALA A 15 4.736 -3.379 4.198 1.00 0.00 C ATOM 196 O ALA A 15 5.669 -3.837 3.534 1.00 0.00 O ATOM 197 CB ALA A 15 3.325 -5.370 3.697 1.00 0.00 C ATOM 0 H ALA A 15 1.682 -3.693 4.535 1.00 0.00 H new ATOM 0 HA ALA A 15 4.080 -4.791 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.240 -5.866 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.645 -6.107 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.849 -4.890 2.842 1.00 0.00 H new ATOM 203 N GLY A 16 4.629 -2.078 4.463 1.00 0.00 N ATOM 204 CA GLY A 16 5.432 -1.027 3.853 1.00 0.00 C ATOM 205 C GLY A 16 6.855 -0.980 4.410 1.00 0.00 C ATOM 206 O GLY A 16 7.438 0.094 4.505 1.00 0.00 O ATOM 0 H GLY A 16 3.953 -1.716 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.472 -1.184 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.949 -0.064 4.017 1.00 0.00 H new ATOM 210 N SER A 17 7.378 -2.133 4.838 1.00 0.00 N ATOM 211 CA SER A 17 8.601 -2.248 5.617 1.00 0.00 C ATOM 212 C SER A 17 9.844 -2.032 4.746 1.00 0.00 C ATOM 213 O SER A 17 10.583 -1.077 4.966 1.00 0.00 O ATOM 214 CB SER A 17 8.624 -3.610 6.330 1.00 0.00 C ATOM 215 OG SER A 17 7.372 -3.893 6.929 1.00 0.00 O ATOM 0 H SER A 17 6.944 -3.035 4.643 1.00 0.00 H new ATOM 0 HA SER A 17 8.619 -1.462 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.874 -4.394 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.404 -3.612 7.092 1.00 0.00 H new ATOM 0 HG SER A 17 7.412 -4.765 7.374 1.00 0.00 H new ATOM 221 N THR A 18 10.112 -2.953 3.811 1.00 0.00 N ATOM 222 CA THR A 18 11.265 -2.888 2.912 1.00 0.00 C ATOM 223 C THR A 18 10.934 -2.143 1.608 1.00 0.00 C ATOM 224 O THR A 18 11.719 -1.312 1.152 1.00 0.00 O ATOM 225 CB THR A 18 11.851 -4.305 2.728 1.00 0.00 C ATOM 226 OG1 THR A 18 13.086 -4.248 2.050 1.00 0.00 O ATOM 227 CG2 THR A 18 10.940 -5.302 2.000 1.00 0.00 C ATOM 0 H THR A 18 9.525 -3.773 3.658 1.00 0.00 H new ATOM 0 HA THR A 18 12.054 -2.284 3.359 1.00 0.00 H new ATOM 0 HB THR A 18 11.969 -4.680 3.745 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.443 -5.154 1.944 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.444 -6.266 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.012 -5.422 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.716 -4.928 1.001 1.00 0.00 H new ATOM 235 N VAL A 19 9.795 -2.477 0.982 1.00 0.00 N ATOM 236 CA VAL A 19 9.212 -1.781 -0.165 1.00 0.00 C ATOM 237 C VAL A 19 9.244 -0.252 -0.011 1.00 0.00 C ATOM 238 O VAL A 19 9.114 0.270 1.097 1.00 0.00 O ATOM 239 CB VAL A 19 7.800 -2.322 -0.478 1.00 0.00 C ATOM 240 CG1 VAL A 19 7.843 -3.818 -0.833 1.00 0.00 C ATOM 241 CG2 VAL A 19 6.806 -2.103 0.669 1.00 0.00 C ATOM 0 H VAL A 19 9.234 -3.276 1.278 1.00 0.00 H new ATOM 0 HA VAL A 19 9.840 -1.995 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 19 7.449 -1.750 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.834 -4.170 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.474 -3.966 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.252 -4.380 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.832 -2.504 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.164 -2.613 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.714 -1.036 0.872 1.00 0.00 H new ATOM 251 N GLY A 20 9.301 0.472 -1.136 1.00 0.00 N ATOM 252 CA GLY A 20 9.268 1.932 -1.182 1.00 0.00 C ATOM 253 C GLY A 20 7.866 2.490 -0.926 1.00 0.00 C ATOM 254 O GLY A 20 7.318 3.194 -1.774 1.00 0.00 O ATOM 0 H GLY A 20 9.373 0.045 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.957 2.332 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.619 2.271 -2.157 1.00 0.00 H new ATOM 258 N ALA A 21 7.277 2.163 0.227 1.00 0.00 N ATOM 259 CA ALA A 21 6.008 2.708 0.677 1.00 0.00 C ATOM 260 C ALA A 21 6.176 4.202 0.963 1.00 0.00 C ATOM 261 O ALA A 21 6.797 4.582 1.951 1.00 0.00 O ATOM 262 CB ALA A 21 5.521 1.946 1.915 1.00 0.00 C ATOM 0 H ALA A 21 7.684 1.497 0.883 1.00 0.00 H new ATOM 0 HA ALA A 21 5.253 2.590 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.569 2.361 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.391 0.893 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.256 2.042 2.714 1.00 0.00 H new ATOM 268 N ALA A 22 5.581 5.051 0.118 1.00 0.00 N ATOM 269 CA ALA A 22 5.734 6.504 0.171 1.00 0.00 C ATOM 270 C ALA A 22 5.234 7.095 1.498 1.00 0.00 C ATOM 271 O ALA A 22 5.681 8.164 1.901 1.00 0.00 O ATOM 272 CB ALA A 22 4.995 7.139 -1.012 1.00 0.00 C ATOM 0 H ALA A 22 4.968 4.739 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 22 6.798 6.731 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.109 8.222 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.413 6.764 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.937 6.883 -0.960 1.00 0.00 H new ATOM 278 N SER A 23 4.269 6.434 2.146 1.00 0.00 N ATOM 279 CA SER A 23 3.755 6.770 3.468 1.00 0.00 C ATOM 280 C SER A 23 4.763 6.574 4.616 1.00 0.00 C ATOM 281 O SER A 23 4.438 6.961 5.738 1.00 0.00 O ATOM 282 CB SER A 23 2.510 5.914 3.736 1.00 0.00 C ATOM 283 OG SER A 23 1.623 5.956 2.631 1.00 0.00 O ATOM 0 H SER A 23 3.809 5.618 1.743 1.00 0.00 H new ATOM 0 HA SER A 23 3.527 7.836 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.807 4.883 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.001 6.274 4.630 1.00 0.00 H new ATOM 0 HG SER A 23 0.837 5.403 2.821 1.00 0.00 H new ATOM 289 N GLY A 24 5.921 5.940 4.377 1.00 0.00 N ATOM 290 CA GLY A 24 6.943 5.683 5.386 1.00 0.00 C ATOM 291 C GLY A 24 7.957 6.816 5.433 1.00 0.00 C ATOM 292 O GLY A 24 8.500 7.139 4.354 1.00 0.00 O ATOM 0 H GLY A 24 6.172 5.586 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.474 5.569 6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.451 4.744 5.164 1.00 0.00 H new TER 296 GLY A 24