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= 0.0835 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -144:sc= 1.2 USER MOD Single : A 23 SER OG : rot -39:sc= 0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.493 4.242 -3.728 1.00 0.00 N ATOM 2 CA ALA A 1 -9.297 3.576 -2.425 1.00 0.00 C ATOM 3 C ALA A 1 -10.375 2.493 -2.265 1.00 0.00 C ATOM 4 O ALA A 1 -10.745 1.880 -3.265 1.00 0.00 O ATOM 5 CB ALA A 1 -9.262 4.617 -1.294 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.579 4.589 -4.081 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.892 3.564 -4.408 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.147 5.043 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.332 3.073 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.117 4.112 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.440 5.313 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.204 5.165 -1.275 1.00 0.00 H new ATOM 13 N VAL A 2 -10.881 2.283 -1.045 1.00 0.00 N ATOM 14 CA VAL A 2 -12.095 1.548 -0.677 1.00 0.00 C ATOM 15 C VAL A 2 -11.974 0.039 -0.922 1.00 0.00 C ATOM 16 O VAL A 2 -11.911 -0.716 0.043 1.00 0.00 O ATOM 17 CB VAL A 2 -13.364 2.186 -1.302 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.645 1.507 -0.791 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.461 3.689 -0.985 1.00 0.00 C ATOM 0 H VAL A 2 -10.411 2.655 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.213 1.643 0.402 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.274 2.044 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.514 1.979 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.626 0.449 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.705 1.611 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.363 4.099 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.502 3.831 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.587 4.202 -1.385 1.00 0.00 H new ATOM 29 N GLY A 3 -11.993 -0.401 -2.182 1.00 0.00 N ATOM 30 CA GLY A 3 -11.728 -1.775 -2.564 1.00 0.00 C ATOM 31 C GLY A 3 -10.226 -1.996 -2.659 1.00 0.00 C ATOM 32 O GLY A 3 -9.487 -1.877 -1.685 1.00 0.00 O ATOM 0 H GLY A 3 -12.198 0.206 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.161 -2.457 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.200 -1.995 -3.522 1.00 0.00 H new ATOM 36 N ILE A 4 -9.765 -2.236 -3.888 1.00 0.00 N ATOM 37 CA ILE A 4 -8.375 -2.564 -4.201 1.00 0.00 C ATOM 38 C ILE A 4 -7.426 -1.475 -3.682 1.00 0.00 C ATOM 39 O ILE A 4 -6.341 -1.783 -3.187 1.00 0.00 O ATOM 40 CB ILE A 4 -8.227 -2.796 -5.725 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.182 -3.886 -6.274 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.778 -3.127 -6.118 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.050 -5.270 -5.621 1.00 0.00 C ATOM 0 H ILE A 4 -10.364 -2.207 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.096 -3.487 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.511 -1.850 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.209 -3.541 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.008 -3.991 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.720 -3.282 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.126 -2.301 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.459 -4.033 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.762 -5.957 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.038 -5.646 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.256 -5.190 -4.554 1.00 0.00 H new ATOM 55 N GLY A 5 -7.846 -0.205 -3.723 1.00 0.00 N ATOM 56 CA GLY A 5 -7.000 0.897 -3.303 1.00 0.00 C ATOM 57 C GLY A 5 -6.803 0.908 -1.788 1.00 0.00 C ATOM 58 O GLY A 5 -5.765 1.370 -1.321 1.00 0.00 O ATOM 0 H GLY A 5 -8.772 0.076 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.031 0.821 -3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.446 1.840 -3.620 1.00 0.00 H new ATOM 62 N ALA A 6 -7.775 0.395 -1.020 1.00 0.00 N ATOM 63 CA ALA A 6 -7.612 0.212 0.414 1.00 0.00 C ATOM 64 C ALA A 6 -6.588 -0.881 0.706 1.00 0.00 C ATOM 65 O ALA A 6 -5.856 -0.774 1.681 1.00 0.00 O ATOM 66 CB ALA A 6 -8.949 -0.133 1.062 1.00 0.00 C ATOM 0 H ALA A 6 -8.684 0.101 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.248 1.148 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.810 -0.267 2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.658 0.676 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.336 -1.055 0.629 1.00 0.00 H new ATOM 72 N LEU A 7 -6.491 -1.918 -0.132 1.00 0.00 N ATOM 73 CA LEU A 7 -5.424 -2.901 -0.005 1.00 0.00 C ATOM 74 C LEU A 7 -4.096 -2.254 -0.342 1.00 0.00 C ATOM 75 O LEU A 7 -3.109 -2.478 0.341 1.00 0.00 O ATOM 76 CB LEU A 7 -5.632 -4.135 -0.908 1.00 0.00 C ATOM 77 CG LEU A 7 -7.085 -4.605 -1.061 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.161 -5.770 -2.055 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.709 -5.026 0.277 1.00 0.00 C ATOM 0 H LEU A 7 -7.138 -2.093 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.434 -3.250 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.235 -3.910 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.042 -4.960 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.657 -3.757 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.196 -6.095 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.787 -5.445 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.554 -6.599 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.737 -5.350 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.134 -5.847 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.700 -4.180 0.965 1.00 0.00 H new ATOM 91 N PHE A 8 -4.076 -1.440 -1.388 1.00 0.00 N ATOM 92 CA PHE A 8 -2.832 -0.880 -1.905 1.00 0.00 C ATOM 93 C PHE A 8 -2.192 0.083 -0.913 1.00 0.00 C ATOM 94 O PHE A 8 -1.009 -0.035 -0.604 1.00 0.00 O ATOM 95 CB PHE A 8 -3.144 -0.075 -3.158 1.00 0.00 C ATOM 96 CG PHE A 8 -3.225 -0.824 -4.482 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.377 -2.226 -4.545 1.00 0.00 C ATOM 98 CD2 PHE A 8 -3.116 -0.092 -5.680 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.396 -2.883 -5.788 1.00 0.00 C ATOM 100 CE2 PHE A 8 -3.146 -0.748 -6.924 1.00 0.00 C ATOM 101 CZ PHE A 8 -3.282 -2.146 -6.978 1.00 0.00 C ATOM 0 H PHE A 8 -4.910 -1.151 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.152 -1.709 -2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.096 0.432 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.383 0.699 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.479 -2.797 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.008 0.982 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.499 -3.957 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.065 -0.178 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.299 -2.652 -7.932 1.00 0.00 H new ATOM 111 N LEU A 9 -2.983 1.026 -0.397 1.00 0.00 N ATOM 112 CA LEU A 9 -2.457 1.989 0.563 1.00 0.00 C ATOM 113 C LEU A 9 -2.427 1.370 1.956 1.00 0.00 C ATOM 114 O LEU A 9 -1.677 1.826 2.814 1.00 0.00 O ATOM 115 CB LEU A 9 -3.256 3.309 0.513 1.00 0.00 C ATOM 116 CG LEU A 9 -4.679 3.279 1.124 1.00 0.00 C ATOM 117 CD1 LEU A 9 -4.700 3.681 2.607 1.00 0.00 C ATOM 118 CD2 LEU A 9 -5.607 4.242 0.368 1.00 0.00 C ATOM 0 H LEU A 9 -3.971 1.140 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.431 2.242 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.679 4.077 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.338 3.619 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.021 2.248 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.723 3.641 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.078 2.993 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.313 4.694 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.603 4.209 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.213 5.256 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.664 3.945 -0.679 1.00 0.00 H new ATOM 130 N GLY A 10 -3.279 0.364 2.175 1.00 0.00 N ATOM 131 CA GLY A 10 -3.553 -0.159 3.510 1.00 0.00 C ATOM 132 C GLY A 10 -2.818 -1.459 3.767 1.00 0.00 C ATOM 133 O GLY A 10 -1.825 -1.479 4.483 1.00 0.00 O ATOM 0 H GLY A 10 -3.795 -0.107 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.259 0.579 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.625 -0.319 3.625 1.00 0.00 H new ATOM 137 N PHE A 11 -3.326 -2.551 3.196 1.00 0.00 N ATOM 138 CA PHE A 11 -2.817 -3.903 3.412 1.00 0.00 C ATOM 139 C PHE A 11 -1.344 -4.030 2.981 1.00 0.00 C ATOM 140 O PHE A 11 -0.499 -4.486 3.751 1.00 0.00 O ATOM 141 CB PHE A 11 -3.727 -4.869 2.630 1.00 0.00 C ATOM 142 CG PHE A 11 -3.421 -6.333 2.880 1.00 0.00 C ATOM 143 CD1 PHE A 11 -4.002 -6.997 3.977 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.542 -7.028 2.027 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.706 -8.350 4.219 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.245 -8.381 2.271 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.829 -9.042 3.366 1.00 0.00 C ATOM 0 H PHE A 11 -4.120 -2.518 2.557 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.837 -4.148 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.765 -4.673 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.629 -4.663 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.676 -6.466 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.095 -6.521 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.153 -8.858 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.569 -8.912 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.604 -10.082 3.552 1.00 0.00 H new ATOM 157 N LEU A 12 -1.031 -3.560 1.771 1.00 0.00 N ATOM 158 CA LEU A 12 0.309 -3.473 1.205 1.00 0.00 C ATOM 159 C LEU A 12 1.131 -2.437 1.973 1.00 0.00 C ATOM 160 O LEU A 12 2.267 -2.726 2.339 1.00 0.00 O ATOM 161 CB LEU A 12 0.186 -3.153 -0.298 1.00 0.00 C ATOM 162 CG LEU A 12 1.436 -2.545 -0.963 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.616 -3.523 -0.951 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.119 -2.159 -2.415 1.00 0.00 C ATOM 0 H LEU A 12 -1.745 -3.213 1.130 1.00 0.00 H new ATOM 0 HA LEU A 12 0.839 -4.420 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.071 -4.072 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.646 -2.463 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 12 1.716 -1.661 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.479 -3.058 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.866 -3.779 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.344 -4.428 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.007 -1.730 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.813 -3.046 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.312 -1.426 -2.429 1.00 0.00 H new ATOM 176 N GLY A 13 0.563 -1.261 2.266 1.00 0.00 N ATOM 177 CA GLY A 13 1.315 -0.190 2.913 1.00 0.00 C ATOM 178 C GLY A 13 1.687 -0.535 4.361 1.00 0.00 C ATOM 179 O GLY A 13 2.778 -0.183 4.802 1.00 0.00 O ATOM 0 H GLY A 13 -0.410 -1.032 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.223 0.009 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.724 0.726 2.900 1.00 0.00 H new ATOM 183 N ALA A 14 0.851 -1.297 5.077 1.00 0.00 N ATOM 184 CA ALA A 14 1.181 -1.857 6.384 1.00 0.00 C ATOM 185 C ALA A 14 2.362 -2.829 6.282 1.00 0.00 C ATOM 186 O ALA A 14 3.233 -2.824 7.149 1.00 0.00 O ATOM 187 CB ALA A 14 -0.048 -2.558 6.974 1.00 0.00 C ATOM 0 H ALA A 14 -0.086 -1.543 4.756 1.00 0.00 H new ATOM 0 HA ALA A 14 1.477 -1.044 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.204 -2.974 7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.859 -1.838 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.364 -3.361 6.308 1.00 0.00 H new ATOM 193 N ALA A 15 2.436 -3.618 5.201 1.00 0.00 N ATOM 194 CA ALA A 15 3.601 -4.438 4.880 1.00 0.00 C ATOM 195 C ALA A 15 4.745 -3.657 4.235 1.00 0.00 C ATOM 196 O ALA A 15 5.679 -4.262 3.706 1.00 0.00 O ATOM 197 CB ALA A 15 3.215 -5.615 3.993 1.00 0.00 C ATOM 0 H ALA A 15 1.679 -3.702 4.522 1.00 0.00 H new ATOM 0 HA ALA A 15 3.970 -4.804 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.102 -6.208 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.484 -6.236 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.783 -5.244 3.064 1.00 0.00 H new ATOM 203 N GLY A 16 4.721 -2.328 4.309 1.00 0.00 N ATOM 204 CA GLY A 16 5.719 -1.434 3.741 1.00 0.00 C ATOM 205 C GLY A 16 7.000 -1.432 4.572 1.00 0.00 C ATOM 206 O GLY A 16 7.581 -0.375 4.809 1.00 0.00 O ATOM 0 H GLY A 16 3.972 -1.827 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.946 -1.741 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.316 -0.423 3.688 1.00 0.00 H new ATOM 210 N SER A 17 7.449 -2.616 5.010 1.00 0.00 N ATOM 211 CA SER A 17 8.705 -2.841 5.730 1.00 0.00 C ATOM 212 C SER A 17 9.923 -2.679 4.799 1.00 0.00 C ATOM 213 O SER A 17 10.744 -3.585 4.657 1.00 0.00 O ATOM 214 CB SER A 17 8.651 -4.228 6.383 1.00 0.00 C ATOM 215 OG SER A 17 7.570 -4.288 7.293 1.00 0.00 O ATOM 0 H SER A 17 6.923 -3.478 4.865 1.00 0.00 H new ATOM 0 HA SER A 17 8.824 -2.089 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.537 -4.996 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.587 -4.432 6.903 1.00 0.00 H new ATOM 0 HG SER A 17 7.539 -5.176 7.706 1.00 0.00 H new ATOM 221 N THR A 18 10.020 -1.529 4.128 1.00 0.00 N ATOM 222 CA THR A 18 11.073 -1.213 3.175 1.00 0.00 C ATOM 223 C THR A 18 12.390 -0.894 3.897 1.00 0.00 C ATOM 224 O THR A 18 12.436 -0.049 4.789 1.00 0.00 O ATOM 225 CB THR A 18 10.637 -0.053 2.261 1.00 0.00 C ATOM 226 OG1 THR A 18 11.662 0.144 1.311 1.00 0.00 O ATOM 227 CG2 THR A 18 10.284 1.270 2.958 1.00 0.00 C ATOM 0 H THR A 18 9.345 -0.773 4.240 1.00 0.00 H new ATOM 0 HA THR A 18 11.248 -2.088 2.549 1.00 0.00 H new ATOM 0 HB THR A 18 9.692 -0.353 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.744 1.100 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.993 2.008 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.457 1.108 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.151 1.634 3.509 1.00 0.00 H new ATOM 235 N VAL A 19 13.473 -1.568 3.501 1.00 0.00 N ATOM 236 CA VAL A 19 14.841 -1.064 3.614 1.00 0.00 C ATOM 237 C VAL A 19 14.988 0.409 3.185 1.00 0.00 C ATOM 238 O VAL A 19 15.461 1.239 3.959 1.00 0.00 O ATOM 239 CB VAL A 19 15.849 -2.019 2.929 1.00 0.00 C ATOM 240 CG1 VAL A 19 15.962 -3.326 3.730 1.00 0.00 C ATOM 241 CG2 VAL A 19 15.525 -2.377 1.465 1.00 0.00 C ATOM 0 H VAL A 19 13.421 -2.498 3.085 1.00 0.00 H new ATOM 0 HA VAL A 19 15.092 -1.056 4.675 1.00 0.00 H new ATOM 0 HB VAL A 19 16.787 -1.464 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.673 -3.992 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 19 16.307 -3.105 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.986 -3.809 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.290 -3.050 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.553 -2.867 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.503 -1.468 0.864 1.00 0.00 H new ATOM 251 N GLY A 20 14.685 0.705 1.915 1.00 0.00 N ATOM 252 CA GLY A 20 14.954 1.981 1.259 1.00 0.00 C ATOM 253 C GLY A 20 13.764 2.938 1.274 1.00 0.00 C ATOM 254 O GLY A 20 12.622 2.515 1.451 1.00 0.00 O ATOM 0 H GLY A 20 14.229 0.034 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.802 2.460 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.247 1.794 0.226 1.00 0.00 H new ATOM 258 N ALA A 21 14.025 4.214 0.967 1.00 0.00 N ATOM 259 CA ALA A 21 13.023 5.261 0.743 1.00 0.00 C ATOM 260 C ALA A 21 12.030 5.466 1.905 1.00 0.00 C ATOM 261 O ALA A 21 10.927 5.972 1.702 1.00 0.00 O ATOM 262 CB ALA A 21 12.331 5.041 -0.610 1.00 0.00 C ATOM 0 H ALA A 21 14.979 4.559 0.864 1.00 0.00 H new ATOM 0 HA ALA A 21 13.561 6.208 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.588 5.822 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.073 5.077 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.841 4.068 -0.614 1.00 0.00 H new ATOM 268 N ALA A 22 12.402 5.093 3.137 1.00 0.00 N ATOM 269 CA ALA A 22 11.549 5.234 4.318 1.00 0.00 C ATOM 270 C ALA A 22 11.202 6.701 4.629 1.00 0.00 C ATOM 271 O ALA A 22 10.154 6.973 5.208 1.00 0.00 O ATOM 272 CB ALA A 22 12.238 4.565 5.514 1.00 0.00 C ATOM 0 H ALA A 22 13.313 4.681 3.340 1.00 0.00 H new ATOM 0 HA ALA A 22 10.600 4.739 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.609 4.665 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.396 3.508 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.199 5.046 5.696 1.00 0.00 H new ATOM 278 N SER A 23 12.082 7.640 4.259 1.00 0.00 N ATOM 279 CA SER A 23 11.857 9.083 4.327 1.00 0.00 C ATOM 280 C SER A 23 11.002 9.619 3.166 1.00 0.00 C ATOM 281 O SER A 23 10.715 10.820 3.151 1.00 0.00 O ATOM 282 CB SER A 23 13.214 9.806 4.331 1.00 0.00 C ATOM 283 OG SER A 23 13.031 11.188 4.567 1.00 0.00 O ATOM 0 H SER A 23 13.003 7.403 3.891 1.00 0.00 H new ATOM 0 HA SER A 23 11.304 9.277 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.858 9.381 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.717 9.656 3.375 1.00 0.00 H new ATOM 0 HG SER A 23 12.233 11.498 4.090 1.00 0.00 H new ATOM 289 N GLY A 24 10.732 8.793 2.152 1.00 0.00 N ATOM 290 CA GLY A 24 10.762 9.219 0.763 1.00 0.00 C ATOM 291 C GLY A 24 12.133 8.848 0.193 1.00 0.00 C ATOM 292 O GLY A 24 13.031 8.499 1.000 1.00 0.00 O ATOM 0 H GLY A 24 10.487 7.811 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.968 8.733 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.595 10.294 0.689 1.00 0.00 H new TER 296 GLY A 24