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+ -103:sc= 0.12 (180deg=0) USER MOD Single : A 17 SER OG : rot -54:sc= 1.26 USER MOD Single : A 18 THR OG1 : rot -38:sc= 1.26 USER MOD Single : A 23 SER OG : rot 96:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.288 6.011 -1.011 1.00 0.00 N ATOM 2 CA ALA A 1 -10.103 4.674 -1.609 1.00 0.00 C ATOM 3 C ALA A 1 -10.897 3.655 -0.798 1.00 0.00 C ATOM 4 O ALA A 1 -11.123 3.901 0.384 1.00 0.00 O ATOM 5 CB ALA A 1 -8.621 4.300 -1.655 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.960 6.558 -1.586 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.660 5.911 -0.045 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.374 6.507 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.469 4.682 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.509 3.311 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.080 5.031 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.216 4.291 -0.643 1.00 0.00 H new ATOM 13 N VAL A 2 -11.350 2.560 -1.426 1.00 0.00 N ATOM 14 CA VAL A 2 -12.342 1.657 -0.833 1.00 0.00 C ATOM 15 C VAL A 2 -12.034 0.170 -1.054 1.00 0.00 C ATOM 16 O VAL A 2 -11.935 -0.570 -0.082 1.00 0.00 O ATOM 17 CB VAL A 2 -13.774 2.014 -1.309 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.356 3.162 -0.470 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.893 2.391 -2.799 1.00 0.00 C ATOM 0 H VAL A 2 -11.039 2.278 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.284 1.812 0.244 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.340 1.092 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.361 3.396 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.398 2.862 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -13.722 4.043 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.932 2.623 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.271 3.262 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.561 1.554 -3.414 1.00 0.00 H new ATOM 29 N GLY A 3 -11.979 -0.288 -2.309 1.00 0.00 N ATOM 30 CA GLY A 3 -11.684 -1.663 -2.673 1.00 0.00 C ATOM 31 C GLY A 3 -10.184 -1.902 -2.705 1.00 0.00 C ATOM 32 O GLY A 3 -9.476 -1.767 -1.710 1.00 0.00 O ATOM 0 H GLY A 3 -12.145 0.311 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.150 -2.341 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.113 -1.886 -3.650 1.00 0.00 H new ATOM 36 N ILE A 4 -9.695 -2.163 -3.918 1.00 0.00 N ATOM 37 CA ILE A 4 -8.297 -2.480 -4.211 1.00 0.00 C ATOM 38 C ILE A 4 -7.374 -1.375 -3.682 1.00 0.00 C ATOM 39 O ILE A 4 -6.296 -1.666 -3.168 1.00 0.00 O ATOM 40 CB ILE A 4 -8.117 -2.719 -5.732 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.067 -3.802 -6.301 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.661 -3.065 -6.086 1.00 0.00 C ATOM 43 CD1 ILE A 4 -8.972 -5.182 -5.634 1.00 0.00 C ATOM 0 H ILE A 4 -10.282 -2.159 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.018 -3.400 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.384 -1.773 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.093 -3.444 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.862 -3.917 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.576 -3.225 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.009 -2.243 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.364 -3.972 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.678 -5.864 -6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.960 -5.572 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.210 -5.091 -4.574 1.00 0.00 H new ATOM 55 N GLY A 5 -7.821 -0.114 -3.735 1.00 0.00 N ATOM 56 CA GLY A 5 -7.013 1.014 -3.296 1.00 0.00 C ATOM 57 C GLY A 5 -6.814 1.007 -1.780 1.00 0.00 C ATOM 58 O GLY A 5 -5.757 1.412 -1.298 1.00 0.00 O ATOM 0 H GLY A 5 -8.745 0.144 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.042 0.982 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.493 1.945 -3.596 1.00 0.00 H new ATOM 62 N ALA A 6 -7.813 0.525 -1.029 1.00 0.00 N ATOM 63 CA ALA A 6 -7.696 0.340 0.408 1.00 0.00 C ATOM 64 C ALA A 6 -6.711 -0.784 0.732 1.00 0.00 C ATOM 65 O ALA A 6 -5.977 -0.676 1.708 1.00 0.00 O ATOM 66 CB ALA A 6 -9.073 0.054 1.000 1.00 0.00 C ATOM 0 H ALA A 6 -8.721 0.255 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.306 1.255 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.984 -0.085 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.738 0.893 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.482 -0.851 0.550 1.00 0.00 H new ATOM 72 N LEU A 7 -6.642 -1.842 -0.087 1.00 0.00 N ATOM 73 CA LEU A 7 -5.621 -2.875 0.066 1.00 0.00 C ATOM 74 C LEU A 7 -4.255 -2.281 -0.223 1.00 0.00 C ATOM 75 O LEU A 7 -3.294 -2.541 0.485 1.00 0.00 O ATOM 76 CB LEU A 7 -5.836 -4.088 -0.863 1.00 0.00 C ATOM 77 CG LEU A 7 -7.292 -4.530 -1.043 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.368 -5.699 -2.031 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.960 -4.928 0.281 1.00 0.00 C ATOM 0 H LEU A 7 -7.285 -2.001 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.692 -3.233 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.423 -3.851 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.265 -4.930 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.837 -3.671 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.407 -6.006 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.967 -5.387 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.784 -6.537 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.990 -5.232 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.413 -5.757 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.952 -4.077 0.963 1.00 0.00 H new ATOM 91 N PHE A 8 -4.174 -1.472 -1.268 1.00 0.00 N ATOM 92 CA PHE A 8 -2.896 -0.964 -1.752 1.00 0.00 C ATOM 93 C PHE A 8 -2.244 -0.048 -0.725 1.00 0.00 C ATOM 94 O PHE A 8 -1.081 -0.237 -0.373 1.00 0.00 O ATOM 95 CB PHE A 8 -3.142 -0.141 -3.010 1.00 0.00 C ATOM 96 CG PHE A 8 -3.035 -0.882 -4.335 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.400 -2.240 -4.454 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.537 -0.204 -5.465 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.249 -2.912 -5.680 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.396 -0.873 -6.694 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.750 -2.229 -6.802 1.00 0.00 C ATOM 0 H PHE A 8 -4.982 -1.151 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.242 -1.814 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.138 0.296 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.431 0.685 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.798 -2.766 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.261 0.837 -5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.517 -3.955 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.015 -0.344 -7.555 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.639 -2.744 -7.745 1.00 0.00 H new ATOM 111 N LEU A 9 -3.010 0.919 -0.213 1.00 0.00 N ATOM 112 CA LEU A 9 -2.464 1.823 0.797 1.00 0.00 C ATOM 113 C LEU A 9 -2.439 1.144 2.163 1.00 0.00 C ATOM 114 O LEU A 9 -1.695 1.560 3.046 1.00 0.00 O ATOM 115 CB LEU A 9 -3.243 3.155 0.814 1.00 0.00 C ATOM 116 CG LEU A 9 -4.680 3.099 1.389 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.740 3.380 2.899 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.566 4.142 0.692 1.00 0.00 C ATOM 0 H LEU A 9 -3.981 1.092 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.432 2.063 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.670 3.880 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.297 3.534 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.033 2.083 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.774 3.326 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.144 2.639 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.344 4.376 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.575 4.095 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.153 5.138 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.600 3.934 -0.378 1.00 0.00 H new ATOM 130 N GLY A 10 -3.294 0.133 2.335 1.00 0.00 N ATOM 131 CA GLY A 10 -3.575 -0.470 3.636 1.00 0.00 C ATOM 132 C GLY A 10 -2.856 -1.794 3.829 1.00 0.00 C ATOM 133 O GLY A 10 -1.809 -1.859 4.464 1.00 0.00 O ATOM 0 H GLY A 10 -3.814 -0.292 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.277 0.220 4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.649 -0.625 3.737 1.00 0.00 H new ATOM 137 N PHE A 11 -3.453 -2.851 3.278 1.00 0.00 N ATOM 138 CA PHE A 11 -3.006 -4.239 3.361 1.00 0.00 C ATOM 139 C PHE A 11 -1.540 -4.387 2.919 1.00 0.00 C ATOM 140 O PHE A 11 -0.732 -4.983 3.627 1.00 0.00 O ATOM 141 CB PHE A 11 -3.958 -5.085 2.493 1.00 0.00 C ATOM 142 CG PHE A 11 -3.696 -6.578 2.537 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.270 -7.367 3.552 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.884 -7.182 1.557 1.00 0.00 C ATOM 145 CE1 PHE A 11 -4.036 -8.754 3.585 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.649 -8.568 1.591 1.00 0.00 C ATOM 147 CZ PHE A 11 -3.225 -9.354 2.605 1.00 0.00 C ATOM 0 H PHE A 11 -4.309 -2.755 2.732 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.039 -4.586 4.394 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.983 -4.900 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.883 -4.747 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.891 -6.907 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.441 -6.579 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.479 -9.358 4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.026 -9.029 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.045 -10.418 2.631 1.00 0.00 H new ATOM 157 N LEU A 12 -1.201 -3.811 1.763 1.00 0.00 N ATOM 158 CA LEU A 12 0.146 -3.711 1.218 1.00 0.00 C ATOM 159 C LEU A 12 0.951 -2.663 1.989 1.00 0.00 C ATOM 160 O LEU A 12 2.074 -2.949 2.392 1.00 0.00 O ATOM 161 CB LEU A 12 0.035 -3.383 -0.285 1.00 0.00 C ATOM 162 CG LEU A 12 1.281 -2.754 -0.944 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.464 -3.727 -0.962 1.00 0.00 C ATOM 164 CD2 LEU A 12 0.944 -2.325 -2.378 1.00 0.00 C ATOM 0 H LEU A 12 -1.898 -3.381 1.154 1.00 0.00 H new ATOM 0 HA LEU A 12 0.681 -4.654 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.206 -4.302 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.806 -2.703 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 12 1.571 -1.885 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.322 -3.248 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.721 -4.007 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.192 -4.620 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.825 -1.881 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.631 -3.196 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.137 -1.593 -2.359 1.00 0.00 H new ATOM 176 N GLY A 13 0.400 -1.463 2.210 1.00 0.00 N ATOM 177 CA GLY A 13 1.192 -0.343 2.713 1.00 0.00 C ATOM 178 C GLY A 13 1.652 -0.549 4.158 1.00 0.00 C ATOM 179 O GLY A 13 2.758 -0.133 4.501 1.00 0.00 O ATOM 0 H GLY A 13 -0.584 -1.247 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.064 -0.204 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.602 0.571 2.650 1.00 0.00 H new ATOM 183 N ALA A 14 0.877 -1.263 4.983 1.00 0.00 N ATOM 184 CA ALA A 14 1.305 -1.682 6.314 1.00 0.00 C ATOM 185 C ALA A 14 2.532 -2.600 6.249 1.00 0.00 C ATOM 186 O ALA A 14 3.379 -2.546 7.134 1.00 0.00 O ATOM 187 CB ALA A 14 0.146 -2.391 7.022 1.00 0.00 C ATOM 0 H ALA A 14 -0.067 -1.565 4.741 1.00 0.00 H new ATOM 0 HA ALA A 14 1.591 -0.794 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.464 -2.705 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.699 -1.708 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.153 -3.266 6.444 1.00 0.00 H new ATOM 193 N ALA A 15 2.642 -3.434 5.206 1.00 0.00 N ATOM 194 CA ALA A 15 3.830 -4.227 4.904 1.00 0.00 C ATOM 195 C ALA A 15 4.939 -3.452 4.197 1.00 0.00 C ATOM 196 O ALA A 15 5.871 -4.062 3.672 1.00 0.00 O ATOM 197 CB ALA A 15 3.463 -5.471 4.105 1.00 0.00 C ATOM 0 H ALA A 15 1.886 -3.576 4.536 1.00 0.00 H new ATOM 0 HA ALA A 15 4.237 -4.518 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.364 -6.046 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.770 -6.083 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.991 -5.175 3.168 1.00 0.00 H new ATOM 203 N GLY A 16 4.885 -2.122 4.195 1.00 0.00 N ATOM 204 CA GLY A 16 5.822 -1.265 3.474 1.00 0.00 C ATOM 205 C GLY A 16 7.188 -1.186 4.162 1.00 0.00 C ATOM 206 O GLY A 16 7.929 -0.232 3.936 1.00 0.00 O ATOM 0 H GLY A 16 4.173 -1.599 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.950 -1.644 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.402 -0.263 3.389 1.00 0.00 H new ATOM 210 N SER A 17 7.518 -2.189 4.985 1.00 0.00 N ATOM 211 CA SER A 17 8.725 -2.288 5.792 1.00 0.00 C ATOM 212 C SER A 17 9.963 -2.557 4.925 1.00 0.00 C ATOM 213 O SER A 17 10.525 -3.653 4.953 1.00 0.00 O ATOM 214 CB SER A 17 8.532 -3.387 6.847 1.00 0.00 C ATOM 215 OG SER A 17 7.405 -3.123 7.659 1.00 0.00 O ATOM 0 H SER A 17 6.909 -2.998 5.107 1.00 0.00 H new ATOM 0 HA SER A 17 8.897 -1.335 6.293 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.410 -4.351 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.424 -3.458 7.470 1.00 0.00 H new ATOM 0 HG SER A 17 7.484 -2.226 8.047 1.00 0.00 H new ATOM 221 N THR A 18 10.388 -1.564 4.141 1.00 0.00 N ATOM 222 CA THR A 18 11.632 -1.630 3.378 1.00 0.00 C ATOM 223 C THR A 18 12.836 -1.333 4.292 1.00 0.00 C ATOM 224 O THR A 18 12.702 -1.226 5.512 1.00 0.00 O ATOM 225 CB THR A 18 11.573 -0.716 2.132 1.00 0.00 C ATOM 226 OG1 THR A 18 11.775 0.652 2.425 1.00 0.00 O ATOM 227 CG2 THR A 18 10.285 -0.871 1.314 1.00 0.00 C ATOM 0 H THR A 18 9.876 -0.690 4.018 1.00 0.00 H new ATOM 0 HA THR A 18 11.764 -2.643 2.999 1.00 0.00 H new ATOM 0 HB THR A 18 12.408 -1.065 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.331 0.875 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.316 -0.199 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.197 -1.900 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.426 -0.624 1.938 1.00 0.00 H new ATOM 235 N VAL A 19 14.023 -1.175 3.692 1.00 0.00 N ATOM 236 CA VAL A 19 15.169 -0.500 4.301 1.00 0.00 C ATOM 237 C VAL A 19 14.761 0.798 5.017 1.00 0.00 C ATOM 238 O VAL A 19 15.149 1.020 6.162 1.00 0.00 O ATOM 239 CB VAL A 19 16.279 -0.266 3.250 1.00 0.00 C ATOM 240 CG1 VAL A 19 16.986 -1.589 2.914 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.807 0.381 1.932 1.00 0.00 C ATOM 0 H VAL A 19 14.214 -1.521 2.752 1.00 0.00 H new ATOM 0 HA VAL A 19 15.574 -1.154 5.073 1.00 0.00 H new ATOM 0 HB VAL A 19 16.956 0.445 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.764 -1.408 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.434 -2.002 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.261 -2.297 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.658 0.503 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.061 -0.258 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.368 1.356 2.142 1.00 0.00 H new ATOM 251 N GLY A 20 13.985 1.651 4.339 1.00 0.00 N ATOM 252 CA GLY A 20 13.291 2.787 4.931 1.00 0.00 C ATOM 253 C GLY A 20 11.847 2.428 5.289 1.00 0.00 C ATOM 254 O GLY A 20 11.314 1.427 4.803 1.00 0.00 O ATOM 0 H GLY A 20 13.822 1.563 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.820 3.113 5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.298 3.625 4.234 1.00 0.00 H new ATOM 258 N ALA A 21 11.191 3.304 6.062 1.00 0.00 N ATOM 259 CA ALA A 21 9.787 3.177 6.455 1.00 0.00 C ATOM 260 C ALA A 21 9.470 1.782 7.017 1.00 0.00 C ATOM 261 O ALA A 21 8.517 1.129 6.603 1.00 0.00 O ATOM 262 CB ALA A 21 8.888 3.580 5.278 1.00 0.00 C ATOM 0 H ALA A 21 11.636 4.141 6.439 1.00 0.00 H new ATOM 0 HA ALA A 21 9.581 3.862 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.842 3.486 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.095 4.613 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.088 2.928 4.428 1.00 0.00 H new ATOM 268 N ALA A 22 10.262 1.326 7.996 1.00 0.00 N ATOM 269 CA ALA A 22 10.124 -0.015 8.568 1.00 0.00 C ATOM 270 C ALA A 22 8.744 -0.214 9.222 1.00 0.00 C ATOM 271 O ALA A 22 8.226 -1.330 9.246 1.00 0.00 O ATOM 272 CB ALA A 22 11.247 -0.265 9.579 1.00 0.00 C ATOM 0 H ALA A 22 11.014 1.876 8.411 1.00 0.00 H new ATOM 0 HA ALA A 22 10.204 -0.741 7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.140 -1.264 10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.212 -0.184 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.189 0.475 10.377 1.00 0.00 H new ATOM 278 N SER A 23 8.139 0.870 9.711 1.00 0.00 N ATOM 279 CA SER A 23 6.785 0.977 10.235 1.00 0.00 C ATOM 280 C SER A 23 5.676 0.874 9.177 1.00 0.00 C ATOM 281 O SER A 23 4.505 0.800 9.551 1.00 0.00 O ATOM 282 CB SER A 23 6.696 2.361 10.902 1.00 0.00 C ATOM 283 OG SER A 23 7.359 3.355 10.126 1.00 0.00 O ATOM 0 H SER A 23 8.626 1.765 9.752 1.00 0.00 H new ATOM 0 HA SER A 23 6.619 0.140 10.914 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.650 2.637 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.141 2.317 11.896 1.00 0.00 H new ATOM 0 HG SER A 23 6.707 3.813 9.555 1.00 0.00 H new ATOM 289 N GLY A 24 6.016 0.943 7.885 1.00 0.00 N ATOM 290 CA GLY A 24 5.200 1.697 6.943 1.00 0.00 C ATOM 291 C GLY A 24 5.482 3.194 7.108 1.00 0.00 C ATOM 292 O GLY A 24 6.243 3.560 8.043 1.00 0.00 O ATOM 0 H GLY A 24 6.836 0.493 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.421 1.385 5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.143 1.494 7.117 1.00 0.00 H new TER 296 GLY A 24