USER MOD reduce.3.24.130724 H: found=0, std=0, add=114, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 25 hydrogens (7 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 NoAdj-H: A 334 SEP H2 : A 334 SEP N : A 333 ALA C :(H bumps) USER MOD NoAdj-H: A 335 TPO H2 : A 335 TPO N : A 334 SEP C :(H bumps) USER MOD NoAdj-H: A 335 TPO H : A 335 TPO N : A 334 SEP C :(H bumps) USER MOD NoAdj-H: A 336 TPO H2 : A 336 TPO N : A 335 TPO C :(H bumps) USER MOD NoAdj-H: A 338 SEP H2 : A 338 SEP N : A 337 VAL C :(H bumps) USER MOD NoAdj-H: A 340 TPO H2 : A 340 TPO N : A 339 LYS C :(H bumps) USER MOD NoAdj-H: A 340 TPO H : A 340 TPO N : A 339 LYS C :(H bumps) USER MOD NoAdj-H: A 342 TPO H2 : A 342 TPO N : A 341 GLU C :(H bumps) USER MOD NoAdj-H: A 343 SEP H2 : A 343 SEP N : A 342 TPO C :(H bumps) USER MOD Single : A 339 LYS NZ :NH3+ -172:sc= -0.61 (180deg=-0.836) USER MOD Single : A 344 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 330 1.232 4.747 -4.407 1.00 99.99 N ATOM 2 CA ASP A 330 2.568 4.582 -5.028 1.00 99.99 C ATOM 3 C ASP A 330 3.662 3.870 -4.195 1.00 99.99 C ATOM 4 O ASP A 330 4.482 3.143 -4.751 1.00 99.99 O ATOM 5 CB ASP A 330 3.078 5.936 -5.547 1.00 99.99 C ATOM 6 CG ASP A 330 3.422 6.978 -4.472 1.00 99.99 C ATOM 7 OD1 ASP A 330 2.835 6.906 -3.365 1.00 99.99 O ATOM 8 OD2 ASP A 330 4.288 7.820 -4.773 1.00 99.99 O ATOM 0 HA ASP A 330 2.388 3.881 -5.843 1.00 99.99 H new ATOM 0 HB2 ASP A 330 3.967 5.760 -6.153 1.00 99.99 H new ATOM 0 HB3 ASP A 330 2.321 6.359 -6.207 1.00 99.99 H new ATOM 12 N ASP A 331 3.618 4.040 -2.870 1.00 99.99 N ATOM 13 CA ASP A 331 4.586 3.432 -1.924 1.00 99.99 C ATOM 14 C ASP A 331 4.668 1.890 -1.972 1.00 99.99 C ATOM 15 O ASP A 331 5.657 1.306 -1.544 1.00 99.99 O ATOM 16 CB ASP A 331 4.348 3.921 -0.481 1.00 99.99 C ATOM 17 CG ASP A 331 3.030 3.492 0.182 1.00 99.99 C ATOM 18 OD1 ASP A 331 2.031 3.347 -0.555 1.00 99.99 O ATOM 19 OD2 ASP A 331 3.042 3.328 1.420 1.00 99.99 O ATOM 0 H ASP A 331 2.906 4.607 -2.410 1.00 99.99 H new ATOM 0 HA ASP A 331 5.559 3.782 -2.269 1.00 99.99 H new ATOM 0 HB2 ASP A 331 5.172 3.568 0.139 1.00 99.99 H new ATOM 0 HB3 ASP A 331 4.392 5.010 -0.479 1.00 99.99 H new ATOM 21 N GLU A 332 3.556 1.262 -2.352 1.00 99.99 N ATOM 22 CA GLU A 332 3.475 -0.192 -2.561 1.00 99.99 C ATOM 23 C GLU A 332 3.072 -0.469 -4.021 1.00 99.99 C ATOM 24 O GLU A 332 1.906 -0.345 -4.396 1.00 99.99 O ATOM 25 CB GLU A 332 2.474 -0.752 -1.545 1.00 99.99 C ATOM 26 CG GLU A 332 2.532 -2.271 -1.364 1.00 99.99 C ATOM 27 CD GLU A 332 1.951 -3.030 -2.556 1.00 99.99 C ATOM 28 OE1 GLU A 332 0.708 -3.161 -2.608 1.00 99.99 O ATOM 29 OE2 GLU A 332 2.773 -3.440 -3.404 1.00 99.99 O ATOM 0 H GLU A 332 2.676 1.748 -2.526 1.00 99.99 H new ATOM 0 HA GLU A 332 4.434 -0.686 -2.401 1.00 99.99 H new ATOM 0 HB2 GLU A 332 2.652 -0.277 -0.580 1.00 99.99 H new ATOM 0 HB3 GLU A 332 1.467 -0.475 -1.856 1.00 99.99 H new ATOM 0 HG2 GLU A 332 3.568 -2.576 -1.215 1.00 99.99 H new ATOM 0 HG3 GLU A 332 1.986 -2.546 -0.462 1.00 99.99 H new ATOM 31 N ALA A 333 4.038 -0.993 -4.770 1.00 99.99 N ATOM 32 CA ALA A 333 3.964 -1.184 -6.234 1.00 99.99 C ATOM 33 C ALA A 333 2.727 -1.890 -6.827 1.00 99.99 C ATOM 34 O ALA A 333 2.104 -1.331 -7.728 1.00 99.99 O ATOM 35 CB ALA A 333 5.234 -1.904 -6.700 1.00 99.99 C ATOM 0 H ALA A 333 4.923 -1.309 -4.374 1.00 99.99 H new ATOM 0 HA ALA A 333 3.866 -0.169 -6.618 1.00 99.99 H new ATOM 0 HB1 ALA A 333 5.193 -2.052 -7.779 1.00 99.99 H new ATOM 0 HB2 ALA A 333 6.107 -1.301 -6.449 1.00 99.99 H new ATOM 0 HB3 ALA A 333 5.306 -2.872 -6.204 1.00 99.99 H new HETATM 37 N SEP A 334 2.284 -2.989 -6.212 1.00 99.99 N HETATM 38 CA SEP A 334 1.242 -3.900 -6.753 1.00 99.99 C HETATM 39 CB SEP A 334 0.838 -4.950 -5.713 1.00 99.99 C HETATM 40 OG SEP A 334 1.988 -5.674 -5.272 1.00 99.99 O HETATM 41 C SEP A 334 -0.043 -3.246 -7.287 1.00 99.99 C HETATM 42 O SEP A 334 -0.551 -3.666 -8.323 1.00 99.99 O HETATM 0 HB3 SEP A 334 0.357 -4.465 -4.864 1.00 99.99 H new HETATM 0 HB2 SEP A 334 0.109 -5.637 -6.143 1.00 99.99 H new HETATM 0 HA SEP A 334 1.738 -4.339 -7.619 1.00 99.99 H new HETATM 0 H SEP A 334 2.630 -3.117 -5.261 1.00 99.99 H new HETATM 44 N TPO A 335 -0.593 -2.294 -6.530 1.00 99.99 N HETATM 45 CA TPO A 335 -1.798 -1.520 -6.918 1.00 99.99 C HETATM 46 CB TPO A 335 -3.041 -2.392 -7.213 1.00 99.99 C HETATM 47 CG2 TPO A 335 -3.464 -3.304 -6.053 1.00 99.99 C HETATM 48 OG1 TPO A 335 -4.137 -1.565 -7.632 1.00 99.99 O HETATM 49 C TPO A 335 -2.156 -0.440 -5.893 1.00 99.99 C HETATM 50 O TPO A 335 -2.080 -0.646 -4.682 1.00 99.99 O HETATM 0 HG23 TPO A 335 -2.648 -3.985 -5.809 1.00 99.99 H new HETATM 0 HG22 TPO A 335 -3.702 -2.696 -5.180 1.00 99.99 H new HETATM 0 HG21 TPO A 335 -4.342 -3.880 -6.344 1.00 99.99 H new HETATM 0 HB TPO A 335 -2.751 -3.065 -8.020 1.00 99.99 H new HETATM 0 HA TPO A 335 -1.513 -1.039 -7.854 1.00 99.99 H new HETATM 52 N TPO A 336 -2.514 0.716 -6.445 1.00 99.99 N HETATM 53 CA TPO A 336 -3.118 1.836 -5.689 1.00 99.99 C HETATM 54 CB TPO A 336 -3.052 3.150 -6.496 1.00 99.99 C HETATM 55 CG2 TPO A 336 -3.828 3.131 -7.820 1.00 99.99 C HETATM 56 OG1 TPO A 336 -3.477 4.233 -5.668 1.00 99.99 O HETATM 57 C TPO A 336 -4.545 1.527 -5.188 1.00 99.99 C HETATM 58 O TPO A 336 -4.856 1.755 -4.023 1.00 99.99 O HETATM 0 HG23 TPO A 336 -3.430 2.347 -8.464 1.00 99.99 H new HETATM 0 HG22 TPO A 336 -4.882 2.937 -7.621 1.00 99.99 H new HETATM 0 HG21 TPO A 336 -3.724 4.096 -8.317 1.00 99.99 H new HETATM 0 HB TPO A 336 -2.011 3.280 -6.791 1.00 99.99 H new HETATM 0 HA TPO A 336 -2.517 1.970 -4.789 1.00 99.99 H new HETATM 0 H TPO A 336 -2.126 0.878 -7.374 1.00 99.99 H new ATOM 60 N VAL A 337 -5.272 0.733 -5.976 1.00 99.99 N ATOM 61 CA VAL A 337 -6.711 0.446 -5.766 1.00 99.99 C ATOM 62 C VAL A 337 -6.959 -0.270 -4.422 1.00 99.99 C ATOM 63 O VAL A 337 -7.771 0.177 -3.617 1.00 99.99 O ATOM 64 CB VAL A 337 -7.282 -0.364 -6.955 1.00 99.99 C ATOM 65 CG1 VAL A 337 -8.778 -0.666 -6.803 1.00 99.99 C ATOM 66 CG2 VAL A 337 -7.078 0.368 -8.287 1.00 99.99 C ATOM 0 H VAL A 337 -4.882 0.260 -6.791 1.00 99.99 H new ATOM 0 HA VAL A 337 -7.240 1.398 -5.720 1.00 99.99 H new ATOM 0 HB VAL A 337 -6.729 -1.303 -6.953 1.00 99.99 H new ATOM 0 HG11 VAL A 337 -9.124 -1.236 -7.666 1.00 99.99 H new ATOM 0 HG12 VAL A 337 -8.942 -1.247 -5.895 1.00 99.99 H new ATOM 0 HG13 VAL A 337 -9.334 0.270 -6.740 1.00 99.99 H new ATOM 0 HG21 VAL A 337 -7.491 -0.231 -9.098 1.00 99.99 H new ATOM 0 HG22 VAL A 337 -7.585 1.333 -8.253 1.00 99.99 H new ATOM 0 HG23 VAL A 337 -6.013 0.524 -8.457 1.00 99.99 H new HETATM 68 N SEP A 338 -6.181 -1.319 -4.167 1.00 99.99 N HETATM 69 CA SEP A 338 -6.327 -2.140 -2.945 1.00 99.99 C HETATM 70 CB SEP A 338 -6.132 -3.621 -3.300 1.00 99.99 C HETATM 71 OG SEP A 338 -7.063 -4.014 -4.312 1.00 99.99 O HETATM 72 C SEP A 338 -5.386 -1.738 -1.791 1.00 99.99 C HETATM 73 O SEP A 338 -5.114 -2.552 -0.905 1.00 99.99 O HETATM 0 HB3 SEP A 338 -5.113 -3.788 -3.649 1.00 99.99 H new HETATM 0 HB2 SEP A 338 -6.269 -4.237 -2.411 1.00 99.99 H new HETATM 0 HA SEP A 338 -7.335 -1.960 -2.572 1.00 99.99 H new HETATM 0 H SEP A 338 -5.981 -1.767 -5.061 1.00 99.99 H new ATOM 75 N LYS A 339 -5.013 -0.454 -1.749 1.00 99.99 N ATOM 76 CA LYS A 339 -4.111 0.096 -0.713 1.00 99.99 C ATOM 77 C LYS A 339 -4.686 0.069 0.708 1.00 99.99 C ATOM 78 O LYS A 339 -5.553 0.846 1.098 1.00 99.99 O ATOM 79 CB LYS A 339 -3.525 1.463 -1.075 1.00 99.99 C ATOM 80 CG LYS A 339 -2.258 1.248 -1.903 1.00 99.99 C ATOM 81 CD LYS A 339 -1.467 2.539 -2.122 1.00 99.99 C ATOM 82 CE LYS A 339 -0.103 2.251 -2.760 1.00 99.99 C ATOM 83 NZ LYS A 339 -0.230 1.729 -4.129 1.00 99.99 N ATOM 0 H LYS A 339 -5.324 0.239 -2.430 1.00 99.99 H new ATOM 0 HA LYS A 339 -3.275 -0.604 -0.699 1.00 99.99 H new ATOM 0 HB2 LYS A 339 -4.251 2.048 -1.640 1.00 99.99 H new ATOM 0 HB3 LYS A 339 -3.295 2.027 -0.171 1.00 99.99 H new ATOM 0 HG2 LYS A 339 -1.622 0.518 -1.403 1.00 99.99 H new ATOM 0 HG3 LYS A 339 -2.529 0.825 -2.870 1.00 99.99 H new ATOM 0 HD2 LYS A 339 -2.036 3.213 -2.762 1.00 99.99 H new ATOM 0 HD3 LYS A 339 -1.325 3.048 -1.169 1.00 99.99 H new ATOM 0 HE2 LYS A 339 0.490 3.166 -2.775 1.00 99.99 H new ATOM 0 HE3 LYS A 339 0.438 1.531 -2.147 1.00 99.99 H new ATOM 0 HZ1 LYS A 339 0.703 1.422 -4.471 1.00 99.99 H new ATOM 0 HZ2 LYS A 339 -0.884 0.920 -4.133 1.00 99.99 H new ATOM 0 HZ3 LYS A 339 -0.599 2.475 -4.752 1.00 99.99 H new HETATM 88 N TPO A 340 -4.274 -1.007 1.367 1.00 99.99 N HETATM 89 CA TPO A 340 -4.754 -1.443 2.696 1.00 99.99 C HETATM 90 CB TPO A 340 -5.735 -2.619 2.526 1.00 99.99 C HETATM 91 CG2 TPO A 340 -7.105 -2.169 2.011 1.00 99.99 C HETATM 92 OG1 TPO A 340 -5.155 -3.628 1.691 1.00 99.99 O HETATM 93 C TPO A 340 -3.575 -1.845 3.606 1.00 99.99 C HETATM 94 O TPO A 340 -2.418 -1.566 3.292 1.00 99.99 O HETATM 0 HG23 TPO A 340 -7.545 -1.464 2.716 1.00 99.99 H new HETATM 0 HG22 TPO A 340 -6.988 -1.686 1.041 1.00 99.99 H new HETATM 0 HG21 TPO A 340 -7.758 -3.036 1.909 1.00 99.99 H new HETATM 0 HB TPO A 340 -5.914 -3.049 3.512 1.00 99.99 H new HETATM 0 HA TPO A 340 -5.270 -0.611 3.175 1.00 99.99 H new ATOM 96 N GLU A 341 -3.859 -2.613 4.662 1.00 99.99 N ATOM 97 CA GLU A 341 -2.824 -3.112 5.594 1.00 99.99 C ATOM 98 C GLU A 341 -1.725 -3.946 4.905 1.00 99.99 C ATOM 99 O GLU A 341 -0.550 -3.747 5.198 1.00 99.99 O ATOM 100 CB GLU A 341 -3.472 -3.881 6.754 1.00 99.99 C ATOM 101 CG GLU A 341 -2.485 -4.258 7.872 1.00 99.99 C ATOM 102 CD GLU A 341 -1.806 -3.035 8.503 1.00 99.99 C ATOM 103 OE1 GLU A 341 -0.736 -2.649 7.979 1.00 99.99 O ATOM 104 OE2 GLU A 341 -2.387 -2.504 9.470 1.00 99.99 O ATOM 0 H GLU A 341 -4.805 -2.909 4.901 1.00 99.99 H new ATOM 0 HA GLU A 341 -2.315 -2.235 5.994 1.00 99.99 H new ATOM 0 HB2 GLU A 341 -4.273 -3.275 7.177 1.00 99.99 H new ATOM 0 HB3 GLU A 341 -3.931 -4.790 6.365 1.00 99.99 H new ATOM 0 HG2 GLU A 341 -3.015 -4.813 8.646 1.00 99.99 H new ATOM 0 HG3 GLU A 341 -1.722 -4.923 7.468 1.00 99.99 H new HETATM 106 N TPO A 342 -2.095 -4.728 3.890 1.00 99.99 N HETATM 107 CA TPO A 342 -1.135 -5.507 3.067 1.00 99.99 C HETATM 108 CB TPO A 342 -1.869 -6.384 2.043 1.00 99.99 C HETATM 109 CG2 TPO A 342 -2.542 -7.588 2.705 1.00 99.99 C HETATM 110 OG1 TPO A 342 -2.813 -5.585 1.319 1.00 99.99 O HETATM 111 C TPO A 342 -0.147 -4.579 2.340 1.00 99.99 C HETATM 112 O TPO A 342 1.068 -4.686 2.502 1.00 99.99 O HETATM 0 HG23 TPO A 342 -1.788 -8.199 3.201 1.00 99.99 H new HETATM 0 HG22 TPO A 342 -3.268 -7.240 3.440 1.00 99.99 H new HETATM 0 HG21 TPO A 342 -3.050 -8.183 1.946 1.00 99.99 H new HETATM 0 HB TPO A 342 -1.138 -6.787 1.342 1.00 99.99 H new HETATM 0 HA TPO A 342 -0.576 -6.152 3.745 1.00 99.99 H new HETATM 0 H TPO A 342 -3.098 -4.823 3.730 1.00 99.99 H new HETATM 114 N SEP A 343 -0.726 -3.579 1.680 1.00 99.99 N HETATM 115 CA SEP A 343 -0.037 -2.443 1.033 1.00 99.99 C HETATM 116 CB SEP A 343 -1.069 -1.532 0.367 1.00 99.99 C HETATM 117 OG SEP A 343 -1.957 -2.292 -0.456 1.00 99.99 O HETATM 118 C SEP A 343 0.822 -1.574 1.971 1.00 99.99 C HETATM 119 O SEP A 343 1.510 -0.668 1.506 1.00 99.99 O HETATM 0 HB3 SEP A 343 -1.638 -1.000 1.130 1.00 99.99 H new HETATM 0 HB2 SEP A 343 -0.561 -0.779 -0.236 1.00 99.99 H new HETATM 0 HA SEP A 343 0.646 -2.901 0.317 1.00 99.99 H new HETATM 0 H SEP A 343 -1.742 -3.653 1.632 1.00 99.99 H new ATOM 121 N GLN A 344 0.598 -1.697 3.276 1.00 99.99 N ATOM 122 CA GLN A 344 1.418 -1.015 4.295 1.00 99.99 C ATOM 123 C GLN A 344 2.512 -1.896 4.918 1.00 99.99 C ATOM 124 O GLN A 344 3.673 -1.489 4.942 1.00 99.99 O ATOM 125 CB GLN A 344 0.521 -0.372 5.360 1.00 99.99 C ATOM 126 CG GLN A 344 -0.329 0.762 4.770 1.00 99.99 C ATOM 127 CD GLN A 344 0.511 1.950 4.283 1.00 99.99 C ATOM 128 OE1 GLN A 344 0.658 2.962 4.949 1.00 99.99 O ATOM 129 NE2 GLN A 344 1.068 1.853 3.094 1.00 99.99 N ATOM 0 H GLN A 344 -0.152 -2.268 3.665 1.00 99.99 H new ATOM 0 HA GLN A 344 1.965 -0.229 3.774 1.00 99.99 H new ATOM 0 HB2 GLN A 344 -0.132 -1.130 5.793 1.00 99.99 H new ATOM 0 HB3 GLN A 344 1.138 0.018 6.170 1.00 99.99 H new ATOM 0 HG2 GLN A 344 -0.916 0.373 3.938 1.00 99.99 H new ATOM 0 HG3 GLN A 344 -1.036 1.109 5.524 1.00 99.99 H new ATOM 0 HE21 GLN A 344 0.943 1.006 2.540 1.00 99.99 H new ATOM 0 HE22 GLN A 344 1.624 2.625 2.727 1.00 99.99 H new ATOM 133 N VAL A 345 2.175 -3.146 5.232 1.00 99.99 N ATOM 134 CA VAL A 345 3.159 -4.135 5.725 1.00 99.99 C ATOM 135 C VAL A 345 4.241 -4.516 4.698 1.00 99.99 C ATOM 136 O VAL A 345 5.424 -4.505 5.025 1.00 99.99 O ATOM 137 CB VAL A 345 2.527 -5.385 6.376 1.00 99.99 C ATOM 138 CG1 VAL A 345 1.771 -5.002 7.653 1.00 99.99 C ATOM 139 CG2 VAL A 345 1.623 -6.198 5.441 1.00 99.99 C ATOM 0 H VAL A 345 1.225 -3.509 5.156 1.00 99.99 H new ATOM 0 HA VAL A 345 3.672 -3.599 6.524 1.00 99.99 H new ATOM 0 HB VAL A 345 3.362 -6.041 6.621 1.00 99.99 H new ATOM 0 HG11 VAL A 345 1.332 -5.895 8.098 1.00 99.99 H new ATOM 0 HG12 VAL A 345 2.462 -4.545 8.362 1.00 99.99 H new ATOM 0 HG13 VAL A 345 0.980 -4.293 7.409 1.00 99.99 H new ATOM 0 HG21 VAL A 345 1.222 -7.057 5.979 1.00 99.99 H new ATOM 0 HG22 VAL A 345 0.802 -5.571 5.093 1.00 99.99 H new ATOM 0 HG23 VAL A 345 2.202 -6.544 4.585 1.00 99.99 H new ATOM 141 N ALA A 346 3.838 -4.650 3.430 1.00 99.99 N ATOM 142 CA ALA A 346 4.752 -4.997 2.320 1.00 99.99 C ATOM 143 C ALA A 346 5.913 -4.006 2.059 1.00 99.99 C ATOM 144 O ALA A 346 6.944 -4.456 1.558 1.00 99.99 O ATOM 145 CB ALA A 346 3.953 -5.289 1.041 1.00 99.99 C ATOM 0 H ALA A 346 2.869 -4.522 3.137 1.00 99.99 H new ATOM 0 HA ALA A 346 5.265 -5.900 2.651 1.00 99.99 H new ATOM 0 HB1 ALA A 346 4.639 -5.543 0.233 1.00 99.99 H new ATOM 0 HB2 ALA A 346 3.276 -6.125 1.218 1.00 99.99 H new ATOM 0 HB3 ALA A 346 3.376 -4.407 0.763 1.00 99.99 H new ATOM 147 N PRO A 347 5.733 -2.687 2.257 1.00 99.99 N ATOM 148 CA PRO A 347 6.884 -1.770 2.373 1.00 99.99 C ATOM 149 C PRO A 347 7.406 -1.579 3.810 1.00 99.99 C ATOM 150 O PRO A 347 8.605 -1.403 3.997 1.00 99.99 O ATOM 151 CB PRO A 347 6.419 -0.456 1.739 1.00 99.99 C ATOM 152 CG PRO A 347 4.915 -0.447 2.001 1.00 99.99 C ATOM 153 CD PRO A 347 4.525 -1.922 1.884 1.00 99.99 C ATOM 0 HA PRO A 347 7.750 -2.190 1.861 1.00 99.99 H new ATOM 0 HB2 PRO A 347 6.911 0.405 2.193 1.00 99.99 H new ATOM 0 HB3 PRO A 347 6.641 -0.424 0.672 1.00 99.99 H new ATOM 0 HG2 PRO A 347 4.682 -0.047 2.988 1.00 99.99 H new ATOM 0 HG3 PRO A 347 4.384 0.168 1.274 1.00 99.99 H new ATOM 0 HD2 PRO A 347 3.692 -2.160 2.545 1.00 99.99 H new ATOM 0 HD3 PRO A 347 4.207 -2.163 0.870 1.00 99.99 H new ATOM 154 N ALA A 348 6.505 -1.558 4.793 1.00 99.99 N ATOM 155 CA ALA A 348 6.861 -1.403 6.223 1.00 99.99 C ATOM 156 C ALA A 348 6.376 -2.555 7.127 1.00 99.99 C ATOM 157 O ALA A 348 7.252 -3.337 7.553 1.00 99.99 O ATOM 158 CB ALA A 348 6.365 -0.041 6.723 1.00 99.99 C ATOM 159 OXT ALA A 348 5.167 -2.581 7.461 1.00 99.99 O ATOM 0 H ALA A 348 5.502 -1.648 4.630 1.00 99.99 H new ATOM 0 HA ALA A 348 7.948 -1.449 6.289 1.00 99.99 H new ATOM 0 HB1 ALA A 348 6.625 0.077 7.775 1.00 99.99 H new ATOM 0 HB2 ALA A 348 6.834 0.753 6.142 1.00 99.99 H new ATOM 0 HB3 ALA A 348 5.283 0.017 6.608 1.00 99.99 H new TER 161 ALA A 348