USER MOD reduce.3.24.130724 H: found=0, std=0, add=113, 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 336 TPO H : 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 Set 1.1: A 339 LYS NZ :NH3+ -163:sc= -1.93 (180deg=-1.96) USER MOD Set 1.2: A 344 GLN : amide:sc= -0.43 X(o=-2.4,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 330 2.796 6.506 -3.932 1.00 99.99 N ATOM 2 CA ASP A 330 4.130 5.992 -4.319 1.00 99.99 C ATOM 3 C ASP A 330 4.871 5.245 -3.160 1.00 99.99 C ATOM 4 O ASP A 330 5.629 4.328 -3.475 1.00 99.99 O ATOM 5 CB ASP A 330 5.006 7.129 -4.869 1.00 99.99 C ATOM 6 CG ASP A 330 5.294 8.243 -3.855 1.00 99.99 C ATOM 7 OD1 ASP A 330 6.309 8.106 -3.138 1.00 99.99 O ATOM 8 OD2 ASP A 330 4.501 9.209 -3.825 1.00 99.99 O ATOM 0 HA ASP A 330 3.957 5.252 -5.101 1.00 99.99 H new ATOM 0 HB2 ASP A 330 5.952 6.711 -5.212 1.00 99.99 H new ATOM 0 HB3 ASP A 330 4.515 7.563 -5.740 1.00 99.99 H new ATOM 12 N ASP A 331 4.651 5.584 -1.866 1.00 99.99 N ATOM 13 CA ASP A 331 5.388 5.075 -0.657 1.00 99.99 C ATOM 14 C ASP A 331 5.550 3.553 -0.628 1.00 99.99 C ATOM 15 O ASP A 331 6.666 3.043 -0.536 1.00 99.99 O ATOM 16 CB ASP A 331 4.796 5.634 0.649 1.00 99.99 C ATOM 17 CG ASP A 331 3.307 5.340 0.870 1.00 99.99 C ATOM 18 OD1 ASP A 331 2.493 6.146 0.369 1.00 99.99 O ATOM 19 OD2 ASP A 331 3.017 4.351 1.579 1.00 99.99 O ATOM 0 H ASP A 331 3.922 6.251 -1.612 1.00 99.99 H new ATOM 0 HA ASP A 331 6.404 5.462 -0.742 1.00 99.99 H new ATOM 0 HB2 ASP A 331 5.359 5.226 1.488 1.00 99.99 H new ATOM 0 HB3 ASP A 331 4.942 6.714 0.662 1.00 99.99 H new ATOM 21 N GLU A 332 4.412 2.880 -0.713 1.00 99.99 N ATOM 22 CA GLU A 332 4.335 1.476 -1.124 1.00 99.99 C ATOM 23 C GLU A 332 3.960 1.578 -2.638 1.00 99.99 C ATOM 24 O GLU A 332 3.084 2.367 -3.001 1.00 99.99 O ATOM 25 CB GLU A 332 3.206 0.824 -0.315 1.00 99.99 C ATOM 26 CG GLU A 332 2.946 -0.653 -0.632 1.00 99.99 C ATOM 27 CD GLU A 332 2.231 -0.929 -1.961 1.00 99.99 C ATOM 28 OE1 GLU A 332 1.366 -0.111 -2.353 1.00 99.99 O ATOM 29 OE2 GLU A 332 2.568 -1.972 -2.560 1.00 99.99 O ATOM 0 H GLU A 332 3.504 3.293 -0.498 1.00 99.99 H new ATOM 0 HA GLU A 332 5.240 0.889 -0.966 1.00 99.99 H new ATOM 0 HB2 GLU A 332 3.441 0.916 0.745 1.00 99.99 H new ATOM 0 HB3 GLU A 332 2.287 1.384 -0.488 1.00 99.99 H new ATOM 0 HG2 GLU A 332 3.901 -1.179 -0.638 1.00 99.99 H new ATOM 0 HG3 GLU A 332 2.352 -1.080 0.176 1.00 99.99 H new ATOM 31 N ALA A 333 4.555 0.745 -3.504 1.00 99.99 N ATOM 32 CA ALA A 333 4.505 0.877 -4.989 1.00 99.99 C ATOM 33 C ALA A 333 3.154 0.628 -5.726 1.00 99.99 C ATOM 34 O ALA A 333 2.843 1.420 -6.618 1.00 99.99 O ATOM 35 CB ALA A 333 5.587 -0.022 -5.595 1.00 99.99 C ATOM 0 H ALA A 333 5.099 -0.061 -3.197 1.00 99.99 H new ATOM 0 HA ALA A 333 4.667 1.943 -5.151 1.00 99.99 H new ATOM 0 HB1 ALA A 333 5.564 0.063 -6.681 1.00 99.99 H new ATOM 0 HB2 ALA A 333 6.565 0.288 -5.227 1.00 99.99 H new ATOM 0 HB3 ALA A 333 5.403 -1.057 -5.308 1.00 99.99 H new HETATM 37 N SEP A 334 2.343 -0.387 -5.359 1.00 99.99 N HETATM 38 CA SEP A 334 1.133 -0.878 -6.100 1.00 99.99 C HETATM 39 CB SEP A 334 0.487 -2.037 -5.328 1.00 99.99 C HETATM 40 OG SEP A 334 1.384 -3.149 -5.258 1.00 99.99 O HETATM 41 C SEP A 334 0.089 0.227 -6.435 1.00 99.99 C HETATM 42 O SEP A 334 0.125 0.722 -7.562 1.00 99.99 O HETATM 0 HB3 SEP A 334 0.223 -1.710 -4.322 1.00 99.99 H new HETATM 0 HB2 SEP A 334 -0.439 -2.338 -5.818 1.00 99.99 H new HETATM 0 HA SEP A 334 1.487 -1.228 -7.070 1.00 99.99 H new HETATM 0 H SEP A 334 2.615 -0.825 -4.479 1.00 99.99 H new HETATM 44 N TPO A 335 -0.793 0.637 -5.501 1.00 99.99 N HETATM 45 CA TPO A 335 -1.995 1.478 -5.785 1.00 99.99 C HETATM 46 CB TPO A 335 -3.203 0.529 -5.957 1.00 99.99 C HETATM 47 CG2 TPO A 335 -3.578 -0.226 -4.673 1.00 99.99 C HETATM 48 OG1 TPO A 335 -4.339 1.229 -6.475 1.00 99.99 O HETATM 49 C TPO A 335 -2.266 2.609 -4.746 1.00 99.99 C HETATM 50 O TPO A 335 -1.659 2.617 -3.675 1.00 99.99 O HETATM 0 HG23 TPO A 335 -2.732 -0.831 -4.347 1.00 99.99 H new HETATM 0 HG22 TPO A 335 -3.835 0.490 -3.892 1.00 99.99 H new HETATM 0 HG21 TPO A 335 -4.433 -0.873 -4.868 1.00 99.99 H new HETATM 0 HB TPO A 335 -2.887 -0.225 -6.678 1.00 99.99 H new HETATM 0 HA TPO A 335 -1.809 2.035 -6.703 1.00 99.99 H new HETATM 52 N TPO A 336 -3.173 3.545 -5.089 1.00 99.99 N HETATM 53 CA TPO A 336 -3.685 4.652 -4.228 1.00 99.99 C HETATM 54 CB TPO A 336 -3.624 6.002 -4.974 1.00 99.99 C HETATM 55 CG2 TPO A 336 -4.441 6.049 -6.273 1.00 99.99 C HETATM 56 OG1 TPO A 336 -4.022 7.052 -4.087 1.00 99.99 O HETATM 57 C TPO A 336 -5.114 4.314 -3.690 1.00 99.99 C HETATM 58 O TPO A 336 -5.394 4.645 -2.538 1.00 99.99 O HETATM 0 HG23 TPO A 336 -4.072 5.289 -6.962 1.00 99.99 H new HETATM 0 HG22 TPO A 336 -5.491 5.858 -6.050 1.00 99.99 H new HETATM 0 HG21 TPO A 336 -4.341 7.033 -6.730 1.00 99.99 H new HETATM 0 HB TPO A 336 -2.589 6.136 -5.287 1.00 99.99 H new HETATM 0 HA TPO A 336 -3.038 4.753 -3.356 1.00 99.99 H new ATOM 60 N VAL A 337 -5.973 3.620 -4.467 1.00 99.99 N ATOM 61 CA VAL A 337 -7.383 3.235 -4.130 1.00 99.99 C ATOM 62 C VAL A 337 -7.353 2.090 -3.065 1.00 99.99 C ATOM 63 O VAL A 337 -7.688 2.367 -1.914 1.00 99.99 O ATOM 64 CB VAL A 337 -8.162 2.825 -5.401 1.00 99.99 C ATOM 65 CG1 VAL A 337 -9.626 2.491 -5.092 1.00 99.99 C ATOM 66 CG2 VAL A 337 -8.133 3.924 -6.470 1.00 99.99 C ATOM 0 H VAL A 337 -5.700 3.292 -5.393 1.00 99.99 H new ATOM 0 HA VAL A 337 -7.909 4.091 -3.707 1.00 99.99 H new ATOM 0 HB VAL A 337 -7.659 1.936 -5.781 1.00 99.99 H new ATOM 0 HG11 VAL A 337 -10.137 2.208 -6.012 1.00 99.99 H new ATOM 0 HG12 VAL A 337 -9.669 1.663 -4.384 1.00 99.99 H new ATOM 0 HG13 VAL A 337 -10.115 3.364 -4.659 1.00 99.99 H new ATOM 0 HG21 VAL A 337 -8.692 3.595 -7.346 1.00 99.99 H new ATOM 0 HG22 VAL A 337 -8.586 4.832 -6.071 1.00 99.99 H new ATOM 0 HG23 VAL A 337 -7.101 4.128 -6.754 1.00 99.99 H new HETATM 68 N SEP A 338 -7.014 0.836 -3.445 1.00 99.99 N HETATM 69 CA SEP A 338 -6.956 -0.390 -2.582 1.00 99.99 C HETATM 70 CB SEP A 338 -7.055 -1.632 -3.480 1.00 99.99 C HETATM 71 OG SEP A 338 -8.322 -1.663 -4.144 1.00 99.99 O HETATM 72 C SEP A 338 -5.678 -0.412 -1.681 1.00 99.99 C HETATM 73 O SEP A 338 -5.125 -1.481 -1.412 1.00 99.99 O HETATM 0 HB3 SEP A 338 -6.251 -1.622 -4.216 1.00 99.99 H new HETATM 0 HB2 SEP A 338 -6.928 -2.534 -2.881 1.00 99.99 H new HETATM 0 HA SEP A 338 -7.800 -0.383 -1.892 1.00 99.99 H new HETATM 0 H SEP A 338 -7.105 0.744 -4.457 1.00 99.99 H new ATOM 75 N LYS A 339 -5.252 0.752 -1.148 1.00 99.99 N ATOM 76 CA LYS A 339 -4.030 0.950 -0.317 1.00 99.99 C ATOM 77 C LYS A 339 -4.436 0.901 1.183 1.00 99.99 C ATOM 78 O LYS A 339 -4.885 1.902 1.743 1.00 99.99 O ATOM 79 CB LYS A 339 -3.426 2.301 -0.720 1.00 99.99 C ATOM 80 CG LYS A 339 -2.008 2.509 -0.189 1.00 99.99 C ATOM 81 CD LYS A 339 -1.505 3.893 -0.604 1.00 99.99 C ATOM 82 CE LYS A 339 -0.040 4.120 -0.225 1.00 99.99 C ATOM 83 NZ LYS A 339 0.867 3.259 -0.997 1.00 99.99 N ATOM 0 H LYS A 339 -5.767 1.621 -1.287 1.00 99.99 H new ATOM 0 HA LYS A 339 -3.284 0.171 -0.474 1.00 99.99 H new ATOM 0 HB2 LYS A 339 -3.415 2.377 -1.807 1.00 99.99 H new ATOM 0 HB3 LYS A 339 -4.066 3.102 -0.351 1.00 99.99 H new ATOM 0 HG2 LYS A 339 -1.998 2.417 0.897 1.00 99.99 H new ATOM 0 HG3 LYS A 339 -1.345 1.737 -0.580 1.00 99.99 H new ATOM 0 HD2 LYS A 339 -1.621 4.011 -1.681 1.00 99.99 H new ATOM 0 HD3 LYS A 339 -2.122 4.657 -0.132 1.00 99.99 H new ATOM 0 HE2 LYS A 339 0.221 5.165 -0.394 1.00 99.99 H new ATOM 0 HE3 LYS A 339 0.094 3.926 0.839 1.00 99.99 H new ATOM 0 HZ1 LYS A 339 1.795 3.224 -0.529 1.00 99.99 H new ATOM 0 HZ2 LYS A 339 0.471 2.299 -1.052 1.00 99.99 H new ATOM 0 HZ3 LYS A 339 0.978 3.644 -1.957 1.00 99.99 H new HETATM 88 N TPO A 340 -4.363 -0.298 1.787 1.00 99.99 N HETATM 89 CA TPO A 340 -4.731 -0.586 3.207 1.00 99.99 C HETATM 90 CB TPO A 340 -5.990 -1.473 3.257 1.00 99.99 C HETATM 91 CG2 TPO A 340 -7.251 -0.703 2.854 1.00 99.99 C HETATM 92 OG1 TPO A 340 -5.816 -2.652 2.462 1.00 99.99 O HETATM 93 C TPO A 340 -3.529 -1.258 3.955 1.00 99.99 C HETATM 94 O TPO A 340 -2.391 -0.943 3.613 1.00 99.99 O HETATM 0 HG23 TPO A 340 -7.399 0.135 3.535 1.00 99.99 H new HETATM 0 HG22 TPO A 340 -7.139 -0.329 1.836 1.00 99.99 H new HETATM 0 HG21 TPO A 340 -8.114 -1.367 2.903 1.00 99.99 H new HETATM 0 HB TPO A 340 -6.130 -1.784 4.292 1.00 99.99 H new HETATM 0 HA TPO A 340 -4.957 0.351 3.715 1.00 99.99 H new ATOM 96 N GLU A 341 -3.742 -2.143 4.957 1.00 99.99 N ATOM 97 CA GLU A 341 -2.688 -2.818 5.783 1.00 99.99 C ATOM 98 C GLU A 341 -1.865 -3.857 4.966 1.00 99.99 C ATOM 99 O GLU A 341 -0.643 -3.759 5.024 1.00 99.99 O ATOM 100 CB GLU A 341 -3.323 -3.455 7.027 1.00 99.99 C ATOM 101 CG GLU A 341 -2.290 -3.968 8.040 1.00 99.99 C ATOM 102 CD GLU A 341 -1.382 -2.852 8.570 1.00 99.99 C ATOM 103 OE1 GLU A 341 -0.326 -2.626 7.938 1.00 99.99 O ATOM 104 OE2 GLU A 341 -1.764 -2.249 9.596 1.00 99.99 O ATOM 0 H GLU A 341 -4.684 -2.423 5.230 1.00 99.99 H new ATOM 0 HA GLU A 341 -1.978 -2.055 6.103 1.00 99.99 H new ATOM 0 HB2 GLU A 341 -3.966 -2.722 7.514 1.00 99.99 H new ATOM 0 HB3 GLU A 341 -3.961 -4.283 6.717 1.00 99.99 H new ATOM 0 HG2 GLU A 341 -2.808 -4.438 8.876 1.00 99.99 H new ATOM 0 HG3 GLU A 341 -1.678 -4.738 7.571 1.00 99.99 H new HETATM 106 N TPO A 342 -2.474 -4.800 4.210 1.00 99.99 N HETATM 107 CA TPO A 342 -1.779 -5.807 3.336 1.00 99.99 C HETATM 108 CB TPO A 342 -2.787 -6.660 2.549 1.00 99.99 C HETATM 109 CG2 TPO A 342 -3.501 -7.662 3.461 1.00 99.99 C HETATM 110 OG1 TPO A 342 -3.722 -5.837 1.842 1.00 99.99 O HETATM 111 C TPO A 342 -0.818 -5.062 2.364 1.00 99.99 C HETATM 112 O TPO A 342 0.299 -5.531 2.147 1.00 99.99 O HETATM 0 HG23 TPO A 342 -2.767 -8.326 3.917 1.00 99.99 H new HETATM 0 HG22 TPO A 342 -4.038 -7.124 4.242 1.00 99.99 H new HETATM 0 HG21 TPO A 342 -4.207 -8.250 2.874 1.00 99.99 H new HETATM 0 HB TPO A 342 -2.228 -7.233 1.809 1.00 99.99 H new HETATM 0 HA TPO A 342 -1.207 -6.485 3.970 1.00 99.99 H new HETATM 0 H TPO A 342 -3.493 -4.752 4.222 1.00 99.99 H new HETATM 114 N SEP A 343 -1.223 -3.871 1.878 1.00 99.99 N HETATM 115 CA SEP A 343 -0.425 -2.929 1.049 1.00 99.99 C HETATM 116 CB SEP A 343 -1.368 -1.843 0.520 1.00 99.99 C HETATM 117 OG SEP A 343 -0.675 -0.922 -0.325 1.00 99.99 O HETATM 118 C SEP A 343 0.728 -2.309 1.926 1.00 99.99 C HETATM 119 O SEP A 343 1.880 -2.580 1.599 1.00 99.99 O HETATM 0 HB3 SEP A 343 -2.184 -2.306 -0.035 1.00 99.99 H new HETATM 0 HB2 SEP A 343 -1.815 -1.307 1.357 1.00 99.99 H new HETATM 0 HA SEP A 343 0.036 -3.443 0.206 1.00 99.99 H new HETATM 0 H SEP A 343 -2.224 -3.719 2.003 1.00 99.99 H new ATOM 121 N GLN A 344 0.468 -1.567 3.035 1.00 99.99 N ATOM 122 CA GLN A 344 1.448 -0.866 3.950 1.00 99.99 C ATOM 123 C GLN A 344 2.482 -1.838 4.612 1.00 99.99 C ATOM 124 O GLN A 344 3.534 -1.346 5.013 1.00 99.99 O ATOM 125 CB GLN A 344 0.722 -0.029 5.011 1.00 99.99 C ATOM 126 CG GLN A 344 -0.074 1.139 4.408 1.00 99.99 C ATOM 127 CD GLN A 344 0.771 2.078 3.539 1.00 99.99 C ATOM 128 OE1 GLN A 344 1.431 2.988 4.038 1.00 99.99 O ATOM 129 NE2 GLN A 344 0.737 1.819 2.234 1.00 99.99 N ATOM 0 H GLN A 344 -0.493 -1.424 3.347 1.00 99.99 H new ATOM 0 HA GLN A 344 2.023 -0.194 3.314 1.00 99.99 H new ATOM 0 HB2 GLN A 344 0.045 -0.672 5.573 1.00 99.99 H new ATOM 0 HB3 GLN A 344 1.452 0.363 5.720 1.00 99.99 H new ATOM 0 HG2 GLN A 344 -0.890 0.739 3.807 1.00 99.99 H new ATOM 0 HG3 GLN A 344 -0.526 1.715 5.216 1.00 99.99 H new ATOM 0 HE21 GLN A 344 0.169 1.049 1.882 1.00 99.99 H new ATOM 0 HE22 GLN A 344 1.279 2.391 1.586 1.00 99.99 H new ATOM 133 N VAL A 345 2.221 -3.161 4.751 1.00 99.99 N ATOM 134 CA VAL A 345 3.148 -4.225 5.279 1.00 99.99 C ATOM 135 C VAL A 345 4.305 -4.470 4.259 1.00 99.99 C ATOM 136 O VAL A 345 5.429 -4.682 4.715 1.00 99.99 O ATOM 137 CB VAL A 345 2.358 -5.508 5.625 1.00 99.99 C ATOM 138 CG1 VAL A 345 3.252 -6.700 5.993 1.00 99.99 C ATOM 139 CG2 VAL A 345 1.446 -5.254 6.827 1.00 99.99 C ATOM 0 H VAL A 345 1.315 -3.548 4.488 1.00 99.99 H new ATOM 0 HA VAL A 345 3.608 -3.890 6.209 1.00 99.99 H new ATOM 0 HB VAL A 345 1.798 -5.755 4.723 1.00 99.99 H new ATOM 0 HG11 VAL A 345 2.629 -7.564 6.224 1.00 99.99 H new ATOM 0 HG12 VAL A 345 3.906 -6.937 5.154 1.00 99.99 H new ATOM 0 HG13 VAL A 345 3.857 -6.446 6.864 1.00 99.99 H new ATOM 0 HG21 VAL A 345 0.894 -6.163 7.063 1.00 99.99 H new ATOM 0 HG22 VAL A 345 2.050 -4.962 7.687 1.00 99.99 H new ATOM 0 HG23 VAL A 345 0.744 -4.455 6.589 1.00 99.99 H new ATOM 141 N ALA A 346 4.069 -4.384 2.929 1.00 99.99 N ATOM 142 CA ALA A 346 5.083 -4.584 1.842 1.00 99.99 C ATOM 143 C ALA A 346 6.346 -3.704 2.069 1.00 99.99 C ATOM 144 O ALA A 346 7.432 -4.198 1.765 1.00 99.99 O ATOM 145 CB ALA A 346 4.456 -4.378 0.457 1.00 99.99 C ATOM 0 H ALA A 346 3.143 -4.167 2.561 1.00 99.99 H new ATOM 0 HA ALA A 346 5.422 -5.619 1.882 1.00 99.99 H new ATOM 0 HB1 ALA A 346 5.214 -4.529 -0.312 1.00 99.99 H new ATOM 0 HB2 ALA A 346 3.646 -5.094 0.314 1.00 99.99 H new ATOM 0 HB3 ALA A 346 4.062 -3.365 0.383 1.00 99.99 H new ATOM 147 N PRO A 347 6.258 -2.454 2.582 1.00 99.99 N ATOM 148 CA PRO A 347 7.428 -1.752 3.167 1.00 99.99 C ATOM 149 C PRO A 347 7.533 -1.932 4.706 1.00 99.99 C ATOM 150 O PRO A 347 8.564 -2.411 5.173 1.00 99.99 O ATOM 151 CB PRO A 347 7.256 -0.289 2.747 1.00 99.99 C ATOM 152 CG PRO A 347 5.740 -0.105 2.692 1.00 99.99 C ATOM 153 CD PRO A 347 5.229 -1.462 2.204 1.00 99.99 C ATOM 0 HA PRO A 347 8.368 -2.166 2.803 1.00 99.99 H new ATOM 0 HB2 PRO A 347 7.716 0.390 3.464 1.00 99.99 H new ATOM 0 HB3 PRO A 347 7.719 -0.093 1.780 1.00 99.99 H new ATOM 0 HG2 PRO A 347 5.331 0.149 3.670 1.00 99.99 H new ATOM 0 HG3 PRO A 347 5.458 0.698 2.011 1.00 99.99 H new ATOM 0 HD2 PRO A 347 4.270 -1.704 2.662 1.00 99.99 H new ATOM 0 HD3 PRO A 347 5.075 -1.454 1.125 1.00 99.99 H new ATOM 154 N ALA A 348 6.470 -1.609 5.463 1.00 99.99 N ATOM 155 CA ALA A 348 6.418 -1.677 6.945 1.00 99.99 C ATOM 156 C ALA A 348 5.326 -2.660 7.396 1.00 99.99 C ATOM 157 O ALA A 348 5.684 -3.852 7.516 1.00 99.99 O ATOM 158 CB ALA A 348 6.221 -0.265 7.511 1.00 99.99 C ATOM 159 OXT ALA A 348 4.158 -2.242 7.565 1.00 99.99 O ATOM 0 H ALA A 348 5.594 -1.283 5.054 1.00 99.99 H new ATOM 0 HA ALA A 348 7.360 -2.060 7.338 1.00 99.99 H new ATOM 0 HB1 ALA A 348 6.182 -0.311 8.599 1.00 99.99 H new ATOM 0 HB2 ALA A 348 7.053 0.369 7.204 1.00 99.99 H new ATOM 0 HB3 ALA A 348 5.288 0.152 7.132 1.00 99.99 H new TER 161 ALA A 348