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+ -117:sc= 0.205 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 97:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.708 5.279 1.701 1.00 0.00 N ATOM 2 CA ALA A 1 -9.616 4.315 0.584 1.00 0.00 C ATOM 3 C ALA A 1 -10.791 3.336 0.665 1.00 0.00 C ATOM 4 O ALA A 1 -11.488 3.352 1.677 1.00 0.00 O ATOM 5 CB ALA A 1 -8.268 3.591 0.612 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.837 6.239 1.322 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.518 5.034 2.305 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.834 5.244 2.263 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.675 4.844 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.217 2.885 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.462 4.319 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.164 3.053 1.554 1.00 0.00 H new ATOM 13 N VAL A 2 -11.036 2.530 -0.382 1.00 0.00 N ATOM 14 CA VAL A 2 -12.226 1.672 -0.454 1.00 0.00 C ATOM 15 C VAL A 2 -11.868 0.224 -0.839 1.00 0.00 C ATOM 16 O VAL A 2 -11.728 -0.606 0.053 1.00 0.00 O ATOM 17 CB VAL A 2 -13.329 2.308 -1.344 1.00 0.00 C ATOM 18 CG1 VAL A 2 -14.647 1.522 -1.244 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.628 3.770 -0.969 1.00 0.00 C ATOM 0 H VAL A 2 -10.421 2.456 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.655 1.603 0.545 1.00 0.00 H new ATOM 0 HB VAL A 2 -12.936 2.274 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.399 1.991 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.484 0.496 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -14.993 1.521 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.406 4.162 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.967 3.818 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.723 4.367 -1.083 1.00 0.00 H new ATOM 29 N GLY A 3 -11.826 -0.111 -2.137 1.00 0.00 N ATOM 30 CA GLY A 3 -11.600 -1.452 -2.649 1.00 0.00 C ATOM 31 C GLY A 3 -10.120 -1.788 -2.717 1.00 0.00 C ATOM 32 O GLY A 3 -9.391 -1.789 -1.729 1.00 0.00 O ATOM 0 H GLY A 3 -11.954 0.577 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.108 -2.175 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.039 -1.540 -3.643 1.00 0.00 H new ATOM 36 N ILE A 4 -9.664 -1.982 -3.954 1.00 0.00 N ATOM 37 CA ILE A 4 -8.289 -2.351 -4.287 1.00 0.00 C ATOM 38 C ILE A 4 -7.308 -1.305 -3.739 1.00 0.00 C ATOM 39 O ILE A 4 -6.229 -1.656 -3.265 1.00 0.00 O ATOM 40 CB ILE A 4 -8.161 -2.545 -5.819 1.00 0.00 C ATOM 41 CG1 ILE A 4 -9.143 -3.604 -6.380 1.00 0.00 C ATOM 42 CG2 ILE A 4 -6.723 -2.891 -6.238 1.00 0.00 C ATOM 43 CD1 ILE A 4 -9.033 -5.002 -5.755 1.00 0.00 C ATOM 0 H ILE A 4 -10.259 -1.884 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.033 -3.299 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.430 -1.582 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.161 -3.241 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -8.981 -3.691 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.680 -3.018 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.053 -2.084 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.415 -3.816 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.763 -5.666 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.030 -5.396 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.228 -4.938 -4.684 1.00 0.00 H new ATOM 55 N GLY A 5 -7.716 -0.031 -3.715 1.00 0.00 N ATOM 56 CA GLY A 5 -6.887 1.058 -3.222 1.00 0.00 C ATOM 57 C GLY A 5 -6.627 0.928 -1.723 1.00 0.00 C ATOM 58 O GLY A 5 -5.555 1.298 -1.247 1.00 0.00 O ATOM 0 H GLY A 5 -8.636 0.268 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.938 1.066 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.376 2.010 -3.426 1.00 0.00 H new ATOM 62 N ALA A 6 -7.594 0.384 -0.974 1.00 0.00 N ATOM 63 CA ALA A 6 -7.419 0.093 0.436 1.00 0.00 C ATOM 64 C ALA A 6 -6.427 -1.041 0.651 1.00 0.00 C ATOM 65 O ALA A 6 -5.720 -1.038 1.649 1.00 0.00 O ATOM 66 CB ALA A 6 -8.766 -0.254 1.054 1.00 0.00 C ATOM 0 H ALA A 6 -8.515 0.137 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.013 0.979 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.635 -0.473 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.447 0.589 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.182 -1.127 0.552 1.00 0.00 H new ATOM 72 N LEU A 7 -6.352 -2.018 -0.256 1.00 0.00 N ATOM 73 CA LEU A 7 -5.300 -3.025 -0.192 1.00 0.00 C ATOM 74 C LEU A 7 -3.955 -2.397 -0.501 1.00 0.00 C ATOM 75 O LEU A 7 -2.966 -2.671 0.167 1.00 0.00 O ATOM 76 CB LEU A 7 -5.549 -4.213 -1.144 1.00 0.00 C ATOM 77 CG LEU A 7 -7.014 -4.650 -1.276 1.00 0.00 C ATOM 78 CD1 LEU A 7 -7.147 -5.758 -2.328 1.00 0.00 C ATOM 79 CD2 LEU A 7 -7.602 -5.131 0.058 1.00 0.00 C ATOM 0 H LEU A 7 -7.002 -2.130 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.305 -3.419 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.175 -3.949 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.963 -5.064 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.580 -3.773 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.192 -6.058 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.798 -5.388 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.546 -6.617 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.640 -5.429 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.028 -5.983 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.556 -4.323 0.788 1.00 0.00 H new ATOM 91 N PHE A 8 -3.934 -1.559 -1.528 1.00 0.00 N ATOM 92 CA PHE A 8 -2.694 -1.002 -2.066 1.00 0.00 C ATOM 93 C PHE A 8 -1.993 -0.113 -1.048 1.00 0.00 C ATOM 94 O PHE A 8 -0.803 -0.261 -0.784 1.00 0.00 O ATOM 95 CB PHE A 8 -3.063 -0.103 -3.240 1.00 0.00 C ATOM 96 CG PHE A 8 -2.970 -0.733 -4.621 1.00 0.00 C ATOM 97 CD1 PHE A 8 -3.428 -2.045 -4.856 1.00 0.00 C ATOM 98 CD2 PHE A 8 -2.399 -0.002 -5.681 1.00 0.00 C ATOM 99 CE1 PHE A 8 -3.309 -2.620 -6.134 1.00 0.00 C ATOM 100 CE2 PHE A 8 -2.287 -0.575 -6.961 1.00 0.00 C ATOM 101 CZ PHE A 8 -2.741 -1.885 -7.188 1.00 0.00 C ATOM 0 H PHE A 8 -4.774 -1.244 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.038 -1.827 -2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.083 0.252 -3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.415 0.773 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.872 -2.611 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.045 1.004 -5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.655 -3.629 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.852 -0.007 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.654 -2.326 -8.170 1.00 0.00 H new ATOM 111 N LEU A 9 -2.756 0.808 -0.466 1.00 0.00 N ATOM 112 CA LEU A 9 -2.243 1.684 0.568 1.00 0.00 C ATOM 113 C LEU A 9 -2.176 0.904 1.876 1.00 0.00 C ATOM 114 O LEU A 9 -1.267 1.093 2.674 1.00 0.00 O ATOM 115 CB LEU A 9 -3.187 2.900 0.665 1.00 0.00 C ATOM 116 CG LEU A 9 -3.150 3.634 2.013 1.00 0.00 C ATOM 117 CD1 LEU A 9 -1.797 4.307 2.266 1.00 0.00 C ATOM 118 CD2 LEU A 9 -4.251 4.702 2.055 1.00 0.00 C ATOM 0 H LEU A 9 -3.737 0.963 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.238 2.041 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.931 3.606 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.207 2.567 0.476 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.311 2.888 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.817 4.814 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.010 3.553 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.599 5.034 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.220 5.219 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.093 5.420 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.224 4.227 1.931 1.00 0.00 H new ATOM 130 N GLY A 10 -3.176 0.062 2.111 1.00 0.00 N ATOM 131 CA GLY A 10 -3.453 -0.423 3.462 1.00 0.00 C ATOM 132 C GLY A 10 -2.805 -1.772 3.705 1.00 0.00 C ATOM 133 O GLY A 10 -1.827 -1.859 4.441 1.00 0.00 O ATOM 0 H GLY A 10 -3.804 -0.297 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.084 0.297 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.530 -0.503 3.609 1.00 0.00 H new ATOM 137 N PHE A 11 -3.346 -2.823 3.088 1.00 0.00 N ATOM 138 CA PHE A 11 -2.862 -4.194 3.246 1.00 0.00 C ATOM 139 C PHE A 11 -1.364 -4.299 2.912 1.00 0.00 C ATOM 140 O PHE A 11 -0.586 -4.838 3.697 1.00 0.00 O ATOM 141 CB PHE A 11 -3.714 -5.126 2.367 1.00 0.00 C ATOM 142 CG PHE A 11 -3.340 -6.591 2.475 1.00 0.00 C ATOM 143 CD1 PHE A 11 -3.703 -7.331 3.617 1.00 0.00 C ATOM 144 CD2 PHE A 11 -2.614 -7.214 1.440 1.00 0.00 C ATOM 145 CE1 PHE A 11 -3.341 -8.686 3.724 1.00 0.00 C ATOM 146 CE2 PHE A 11 -2.255 -8.569 1.547 1.00 0.00 C ATOM 147 CZ PHE A 11 -2.617 -9.305 2.689 1.00 0.00 C ATOM 0 H PHE A 11 -4.143 -2.745 2.456 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.965 -4.500 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.762 -5.008 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.620 -4.814 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.260 -6.857 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.333 -6.649 0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.619 -9.251 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.701 -9.045 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.339 -10.345 2.772 1.00 0.00 H new ATOM 157 N LEU A 12 -0.960 -3.742 1.767 1.00 0.00 N ATOM 158 CA LEU A 12 0.421 -3.653 1.311 1.00 0.00 C ATOM 159 C LEU A 12 1.200 -2.627 2.135 1.00 0.00 C ATOM 160 O LEU A 12 2.273 -2.960 2.627 1.00 0.00 O ATOM 161 CB LEU A 12 0.416 -3.340 -0.198 1.00 0.00 C ATOM 162 CG LEU A 12 1.715 -2.747 -0.779 1.00 0.00 C ATOM 163 CD1 LEU A 12 2.890 -3.724 -0.670 1.00 0.00 C ATOM 164 CD2 LEU A 12 1.499 -2.382 -2.253 1.00 0.00 C ATOM 0 H LEU A 12 -1.617 -3.325 1.108 1.00 0.00 H new ATOM 0 HA LEU A 12 0.936 -4.602 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.189 -4.260 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.398 -2.643 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 12 1.960 -1.858 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.785 -3.266 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.066 -3.966 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.657 -4.636 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.418 -1.963 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.227 -3.277 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.698 -1.647 -2.332 1.00 0.00 H new ATOM 176 N GLY A 13 0.703 -1.395 2.303 1.00 0.00 N ATOM 177 CA GLY A 13 1.481 -0.351 2.969 1.00 0.00 C ATOM 178 C GLY A 13 1.676 -0.596 4.468 1.00 0.00 C ATOM 179 O GLY A 13 2.646 -0.092 5.029 1.00 0.00 O ATOM 0 H GLY A 13 -0.223 -1.102 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.458 -0.276 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.983 0.608 2.828 1.00 0.00 H new ATOM 183 N ALA A 14 0.846 -1.425 5.115 1.00 0.00 N ATOM 184 CA ALA A 14 1.127 -1.943 6.451 1.00 0.00 C ATOM 185 C ALA A 14 2.410 -2.785 6.450 1.00 0.00 C ATOM 186 O ALA A 14 3.212 -2.681 7.375 1.00 0.00 O ATOM 187 CB ALA A 14 -0.063 -2.767 6.954 1.00 0.00 C ATOM 0 H ALA A 14 -0.037 -1.752 4.723 1.00 0.00 H new ATOM 0 HA ALA A 14 1.280 -1.101 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.155 -3.150 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.951 -2.137 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.240 -3.602 6.276 1.00 0.00 H new ATOM 193 N ALA A 15 2.637 -3.577 5.393 1.00 0.00 N ATOM 194 CA ALA A 15 3.909 -4.237 5.107 1.00 0.00 C ATOM 195 C ALA A 15 4.941 -3.313 4.456 1.00 0.00 C ATOM 196 O ALA A 15 5.976 -3.774 3.969 1.00 0.00 O ATOM 197 CB ALA A 15 3.684 -5.475 4.243 1.00 0.00 C ATOM 0 H ALA A 15 1.919 -3.779 4.697 1.00 0.00 H new ATOM 0 HA ALA A 15 4.325 -4.533 6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.641 -5.955 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.033 -6.173 4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.217 -5.182 3.303 1.00 0.00 H new ATOM 203 N GLY A 16 4.715 -2.001 4.500 1.00 0.00 N ATOM 204 CA GLY A 16 5.576 -0.973 3.931 1.00 0.00 C ATOM 205 C GLY A 16 6.830 -0.751 4.777 1.00 0.00 C ATOM 206 O GLY A 16 7.378 0.347 4.816 1.00 0.00 O ATOM 0 H GLY A 16 3.889 -1.611 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.866 -1.260 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.022 -0.038 3.850 1.00 0.00 H new ATOM 210 N SER A 17 7.280 -1.806 5.465 1.00 0.00 N ATOM 211 CA SER A 17 8.561 -1.867 6.150 1.00 0.00 C ATOM 212 C SER A 17 9.718 -1.969 5.146 1.00 0.00 C ATOM 213 O SER A 17 10.855 -1.675 5.506 1.00 0.00 O ATOM 214 CB SER A 17 8.573 -3.083 7.087 1.00 0.00 C ATOM 215 OG SER A 17 7.339 -3.229 7.769 1.00 0.00 O ATOM 0 H SER A 17 6.739 -2.666 5.559 1.00 0.00 H new ATOM 0 HA SER A 17 8.695 -0.952 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.780 -3.985 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.380 -2.976 7.812 1.00 0.00 H new ATOM 0 HG SER A 17 7.380 -4.013 8.355 1.00 0.00 H new ATOM 221 N THR A 18 9.440 -2.412 3.909 1.00 0.00 N ATOM 222 CA THR A 18 10.362 -2.301 2.780 1.00 0.00 C ATOM 223 C THR A 18 10.088 -0.968 2.063 1.00 0.00 C ATOM 224 O THR A 18 10.447 0.080 2.593 1.00 0.00 O ATOM 225 CB THR A 18 10.279 -3.570 1.907 1.00 0.00 C ATOM 226 OG1 THR A 18 10.411 -4.705 2.734 1.00 0.00 O ATOM 227 CG2 THR A 18 11.386 -3.645 0.848 1.00 0.00 C ATOM 0 H THR A 18 8.557 -2.862 3.668 1.00 0.00 H new ATOM 0 HA THR A 18 11.405 -2.262 3.094 1.00 0.00 H new ATOM 0 HB THR A 18 9.317 -3.536 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.358 -5.516 2.187 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.272 -4.560 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.314 -2.783 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.359 -3.645 1.339 1.00 0.00 H new ATOM 235 N VAL A 19 9.481 -0.980 0.865 1.00 0.00 N ATOM 236 CA VAL A 19 8.878 0.188 0.228 1.00 0.00 C ATOM 237 C VAL A 19 8.049 1.012 1.219 1.00 0.00 C ATOM 238 O VAL A 19 7.024 0.542 1.707 1.00 0.00 O ATOM 239 CB VAL A 19 8.105 -0.171 -1.055 1.00 0.00 C ATOM 240 CG1 VAL A 19 9.086 -0.593 -2.160 1.00 0.00 C ATOM 241 CG2 VAL A 19 7.046 -1.278 -0.893 1.00 0.00 C ATOM 0 H VAL A 19 9.397 -1.827 0.303 1.00 0.00 H new ATOM 0 HA VAL A 19 9.696 0.831 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 19 7.564 0.738 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.530 -0.845 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.770 0.229 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.654 -1.462 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.558 -1.457 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.527 -2.195 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.302 -0.966 -0.160 1.00 0.00 H new ATOM 251 N GLY A 20 8.479 2.243 1.499 1.00 0.00 N ATOM 252 CA GLY A 20 7.757 3.134 2.392 1.00 0.00 C ATOM 253 C GLY A 20 6.515 3.671 1.685 1.00 0.00 C ATOM 254 O GLY A 20 6.599 4.101 0.531 1.00 0.00 O ATOM 0 H GLY A 20 9.334 2.644 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.470 2.602 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.400 3.960 2.697 1.00 0.00 H new ATOM 258 N ALA A 21 5.371 3.692 2.381 1.00 0.00 N ATOM 259 CA ALA A 21 4.167 4.375 1.921 1.00 0.00 C ATOM 260 C ALA A 21 4.408 5.890 1.979 1.00 0.00 C ATOM 261 O ALA A 21 4.071 6.552 2.958 1.00 0.00 O ATOM 262 CB ALA A 21 2.952 3.935 2.749 1.00 0.00 C ATOM 0 H ALA A 21 5.260 3.231 3.284 1.00 0.00 H new ATOM 0 HA ALA A 21 3.946 4.107 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.062 4.454 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.811 2.859 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.119 4.179 3.798 1.00 0.00 H new ATOM 268 N ALA A 22 5.026 6.435 0.926 1.00 0.00 N ATOM 269 CA ALA A 22 5.523 7.809 0.873 1.00 0.00 C ATOM 270 C ALA A 22 4.407 8.850 1.038 1.00 0.00 C ATOM 271 O ALA A 22 4.665 9.955 1.507 1.00 0.00 O ATOM 272 CB ALA A 22 6.276 8.024 -0.445 1.00 0.00 C ATOM 0 H ALA A 22 5.198 5.916 0.065 1.00 0.00 H new ATOM 0 HA ALA A 22 6.200 7.952 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.648 9.048 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.115 7.330 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.601 7.847 -1.283 1.00 0.00 H new ATOM 278 N SER A 23 3.179 8.506 0.641 1.00 0.00 N ATOM 279 CA SER A 23 1.966 9.286 0.835 1.00 0.00 C ATOM 280 C SER A 23 1.572 9.465 2.309 1.00 0.00 C ATOM 281 O SER A 23 0.765 10.346 2.607 1.00 0.00 O ATOM 282 CB SER A 23 0.840 8.547 0.093 1.00 0.00 C ATOM 283 OG SER A 23 0.898 7.148 0.338 1.00 0.00 O ATOM 0 H SER A 23 3.001 7.629 0.151 1.00 0.00 H new ATOM 0 HA SER A 23 2.139 10.291 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.127 8.936 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.921 8.736 -0.978 1.00 0.00 H new ATOM 0 HG SER A 23 0.276 6.916 1.059 1.00 0.00 H new ATOM 289 N GLY A 24 2.074 8.612 3.212 1.00 0.00 N ATOM 290 CA GLY A 24 1.254 8.134 4.318 1.00 0.00 C ATOM 291 C GLY A 24 0.169 7.199 3.781 1.00 0.00 C ATOM 292 O GLY A 24 0.283 6.785 2.599 1.00 0.00 O ATOM 0 H GLY A 24 3.027 8.248 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.874 7.609 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.798 8.977 4.838 1.00 0.00 H new TER 296 GLY A 24