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+ 143:sc= 2.25 (180deg=0.679) USER MOD Single : A 344 GLN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 330 1.411 5.912 -3.555 1.00 99.99 N ATOM 2 CA ASP A 330 2.712 5.465 -4.081 1.00 99.99 C ATOM 3 C ASP A 330 3.842 5.346 -3.040 1.00 99.99 C ATOM 4 O ASP A 330 5.008 5.619 -3.327 1.00 99.99 O ATOM 5 CB ASP A 330 3.090 6.290 -5.330 1.00 99.99 C ATOM 6 CG ASP A 330 3.154 7.822 -5.204 1.00 99.99 C ATOM 7 OD1 ASP A 330 2.310 8.416 -4.497 1.00 99.99 O ATOM 8 OD2 ASP A 330 4.036 8.391 -5.882 1.00 99.99 O ATOM 0 HA ASP A 330 2.583 4.427 -4.386 1.00 99.99 H new ATOM 0 HB2 ASP A 330 4.065 5.944 -5.673 1.00 99.99 H new ATOM 0 HB3 ASP A 330 2.372 6.051 -6.115 1.00 99.99 H new ATOM 12 N ASP A 331 3.473 4.918 -1.820 1.00 99.99 N ATOM 13 CA ASP A 331 4.434 4.488 -0.789 1.00 99.99 C ATOM 14 C ASP A 331 4.851 3.022 -1.019 1.00 99.99 C ATOM 15 O ASP A 331 6.032 2.707 -1.023 1.00 99.99 O ATOM 16 CB ASP A 331 3.951 4.793 0.645 1.00 99.99 C ATOM 17 CG ASP A 331 2.564 4.313 1.108 1.00 99.99 C ATOM 18 OD1 ASP A 331 1.837 3.674 0.321 1.00 99.99 O ATOM 19 OD2 ASP A 331 2.238 4.635 2.269 1.00 99.99 O ATOM 0 H ASP A 331 2.500 4.860 -1.521 1.00 99.99 H new ATOM 0 HA ASP A 331 5.338 5.089 -0.893 1.00 99.99 H new ATOM 0 HB2 ASP A 331 4.686 4.371 1.331 1.00 99.99 H new ATOM 0 HB3 ASP A 331 3.979 5.875 0.773 1.00 99.99 H new ATOM 21 N GLU A 332 3.835 2.149 -1.088 1.00 99.99 N ATOM 22 CA GLU A 332 3.868 0.881 -1.835 1.00 99.99 C ATOM 23 C GLU A 332 3.493 1.220 -3.293 1.00 99.99 C ATOM 24 O GLU A 332 2.695 2.121 -3.549 1.00 99.99 O ATOM 25 CB GLU A 332 2.853 -0.041 -1.142 1.00 99.99 C ATOM 26 CG GLU A 332 2.759 -1.482 -1.658 1.00 99.99 C ATOM 27 CD GLU A 332 1.990 -1.629 -2.973 1.00 99.99 C ATOM 28 OE1 GLU A 332 0.794 -1.270 -3.011 1.00 99.99 O ATOM 29 OE2 GLU A 332 2.613 -2.175 -3.904 1.00 99.99 O ATOM 0 H GLU A 332 2.946 2.308 -0.615 1.00 99.99 H new ATOM 0 HA GLU A 332 4.835 0.379 -1.849 1.00 99.99 H new ATOM 0 HB2 GLU A 332 3.097 -0.076 -0.080 1.00 99.99 H new ATOM 0 HB3 GLU A 332 1.867 0.415 -1.228 1.00 99.99 H new ATOM 0 HG2 GLU A 332 3.767 -1.874 -1.794 1.00 99.99 H new ATOM 0 HG3 GLU A 332 2.278 -2.097 -0.898 1.00 99.99 H new ATOM 31 N ALA A 333 4.102 0.497 -4.235 1.00 99.99 N ATOM 32 CA ALA A 333 4.091 0.823 -5.675 1.00 99.99 C ATOM 33 C ALA A 333 2.839 0.555 -6.545 1.00 99.99 C ATOM 34 O ALA A 333 2.598 1.299 -7.485 1.00 99.99 O ATOM 35 CB ALA A 333 5.312 0.159 -6.317 1.00 99.99 C ATOM 0 H ALA A 333 4.629 -0.350 -4.021 1.00 99.99 H new ATOM 0 HA ALA A 333 4.096 1.913 -5.667 1.00 99.99 H new ATOM 0 HB1 ALA A 333 5.330 0.383 -7.383 1.00 99.99 H new ATOM 0 HB2 ALA A 333 6.221 0.540 -5.851 1.00 99.99 H new ATOM 0 HB3 ALA A 333 5.256 -0.920 -6.174 1.00 99.99 H new HETATM 37 N SEP A 334 2.051 -0.477 -6.198 1.00 99.99 N HETATM 38 CA SEP A 334 1.015 -1.082 -7.068 1.00 99.99 C HETATM 39 CB SEP A 334 0.495 -2.382 -6.435 1.00 99.99 C HETATM 40 OG SEP A 334 1.545 -3.349 -6.306 1.00 99.99 O HETATM 41 C SEP A 334 -0.161 -0.209 -7.550 1.00 99.99 C HETATM 42 O SEP A 334 -0.392 -0.160 -8.755 1.00 99.99 O HETATM 0 HB3 SEP A 334 0.071 -2.168 -5.454 1.00 99.99 H new HETATM 0 HB2 SEP A 334 -0.308 -2.792 -7.047 1.00 99.99 H new HETATM 0 HA SEP A 334 1.559 -1.256 -7.997 1.00 99.99 H new HETATM 0 H SEP A 334 2.313 -0.933 -5.324 1.00 99.99 H new HETATM 44 N TPO A 335 -0.935 0.382 -6.619 1.00 99.99 N HETATM 45 CA TPO A 335 -2.128 1.217 -6.923 1.00 99.99 C HETATM 46 CB TPO A 335 -3.261 0.388 -7.582 1.00 99.99 C HETATM 47 CG2 TPO A 335 -3.816 -0.727 -6.685 1.00 99.99 C HETATM 48 OG1 TPO A 335 -4.322 1.244 -8.028 1.00 99.99 O HETATM 49 C TPO A 335 -2.646 1.969 -5.677 1.00 99.99 C HETATM 50 O TPO A 335 -2.234 1.686 -4.554 1.00 99.99 O HETATM 0 HG23 TPO A 335 -3.015 -1.421 -6.429 1.00 99.99 H new HETATM 0 HG22 TPO A 335 -4.224 -0.291 -5.773 1.00 99.99 H new HETATM 0 HG21 TPO A 335 -4.604 -1.262 -7.215 1.00 99.99 H new HETATM 0 HB TPO A 335 -2.806 -0.109 -8.439 1.00 99.99 H new HETATM 0 HA TPO A 335 -1.803 1.967 -7.644 1.00 99.99 H new HETATM 52 N TPO A 336 -3.475 2.990 -5.915 1.00 99.99 N HETATM 53 CA TPO A 336 -4.220 3.720 -4.870 1.00 99.99 C HETATM 54 CB TPO A 336 -4.524 5.159 -5.349 1.00 99.99 C HETATM 55 CG2 TPO A 336 -5.425 5.244 -6.590 1.00 99.99 C HETATM 56 OG1 TPO A 336 -5.081 5.935 -4.283 1.00 99.99 O HETATM 57 C TPO A 336 -5.471 2.965 -4.368 1.00 99.99 C HETATM 58 O TPO A 336 -5.748 2.973 -3.174 1.00 99.99 O HETATM 0 HG23 TPO A 336 -4.947 4.729 -7.423 1.00 99.99 H new HETATM 0 HG22 TPO A 336 -6.385 4.774 -6.376 1.00 99.99 H new HETATM 0 HG21 TPO A 336 -5.584 6.290 -6.853 1.00 99.99 H new HETATM 0 HB TPO A 336 -3.561 5.570 -5.653 1.00 99.99 H new HETATM 0 HA TPO A 336 -3.582 3.787 -3.989 1.00 99.99 H new HETATM 0 H TPO A 336 -3.241 3.454 -6.793 1.00 99.99 H new ATOM 60 N VAL A 337 -6.150 2.255 -5.286 1.00 99.99 N ATOM 61 CA VAL A 337 -7.441 1.580 -5.042 1.00 99.99 C ATOM 62 C VAL A 337 -7.287 0.398 -4.059 1.00 99.99 C ATOM 63 O VAL A 337 -7.785 0.491 -2.938 1.00 99.99 O ATOM 64 CB VAL A 337 -8.121 1.199 -6.381 1.00 99.99 C ATOM 65 CG1 VAL A 337 -9.527 0.623 -6.175 1.00 99.99 C ATOM 66 CG2 VAL A 337 -8.241 2.400 -7.331 1.00 99.99 C ATOM 0 H VAL A 337 -5.811 2.131 -6.240 1.00 99.99 H new ATOM 0 HA VAL A 337 -8.115 2.278 -4.546 1.00 99.99 H new ATOM 0 HB VAL A 337 -7.474 0.441 -6.823 1.00 99.99 H new ATOM 0 HG11 VAL A 337 -9.962 0.371 -7.142 1.00 99.99 H new ATOM 0 HG12 VAL A 337 -9.466 -0.275 -5.560 1.00 99.99 H new ATOM 0 HG13 VAL A 337 -10.154 1.362 -5.676 1.00 99.99 H new ATOM 0 HG21 VAL A 337 -8.724 2.085 -8.256 1.00 99.99 H new ATOM 0 HG22 VAL A 337 -8.837 3.180 -6.858 1.00 99.99 H new ATOM 0 HG23 VAL A 337 -7.247 2.788 -7.554 1.00 99.99 H new HETATM 68 N SEP A 338 -6.653 -0.693 -4.509 1.00 99.99 N HETATM 69 CA SEP A 338 -6.421 -1.924 -3.717 1.00 99.99 C HETATM 70 CB SEP A 338 -6.011 -3.054 -4.679 1.00 99.99 C HETATM 71 OG SEP A 338 -6.979 -3.268 -5.714 1.00 99.99 O HETATM 72 C SEP A 338 -5.374 -1.824 -2.577 1.00 99.99 C HETATM 73 O SEP A 338 -4.949 -2.839 -2.036 1.00 99.99 O HETATM 0 HB3 SEP A 338 -5.048 -2.812 -5.130 1.00 99.99 H new HETATM 0 HB2 SEP A 338 -5.876 -3.977 -4.115 1.00 99.99 H new HETATM 0 HA SEP A 338 -7.365 -2.118 -3.207 1.00 99.99 H new HETATM 0 H SEP A 338 -6.531 -0.708 -5.522 1.00 99.99 H new ATOM 75 N LYS A 339 -5.058 -0.590 -2.151 1.00 99.99 N ATOM 76 CA LYS A 339 -4.060 -0.290 -1.107 1.00 99.99 C ATOM 77 C LYS A 339 -4.652 -0.387 0.316 1.00 99.99 C ATOM 78 O LYS A 339 -5.384 0.492 0.771 1.00 99.99 O ATOM 79 CB LYS A 339 -3.444 1.075 -1.470 1.00 99.99 C ATOM 80 CG LYS A 339 -2.362 1.595 -0.516 1.00 99.99 C ATOM 81 CD LYS A 339 -1.561 2.750 -1.130 1.00 99.99 C ATOM 82 CE LYS A 339 -0.138 2.344 -1.532 1.00 99.99 C ATOM 83 NZ LYS A 339 -0.049 1.511 -2.738 1.00 99.99 N ATOM 0 H LYS A 339 -5.499 0.248 -2.531 1.00 99.99 H new ATOM 0 HA LYS A 339 -3.265 -1.036 -1.081 1.00 99.99 H new ATOM 0 HB2 LYS A 339 -3.016 1.005 -2.470 1.00 99.99 H new ATOM 0 HB3 LYS A 339 -4.245 1.813 -1.517 1.00 99.99 H new ATOM 0 HG2 LYS A 339 -2.827 1.929 0.412 1.00 99.99 H new ATOM 0 HG3 LYS A 339 -1.685 0.781 -0.258 1.00 99.99 H new ATOM 0 HD2 LYS A 339 -2.088 3.124 -2.008 1.00 99.99 H new ATOM 0 HD3 LYS A 339 -1.510 3.571 -0.415 1.00 99.99 H new ATOM 0 HE2 LYS A 339 0.451 3.248 -1.688 1.00 99.99 H new ATOM 0 HE3 LYS A 339 0.319 1.805 -0.702 1.00 99.99 H new ATOM 0 HZ1 LYS A 339 0.796 1.778 -3.282 1.00 99.99 H new ATOM 0 HZ2 LYS A 339 0.017 0.510 -2.464 1.00 99.99 H new ATOM 0 HZ3 LYS A 339 -0.897 1.655 -3.323 1.00 99.99 H new HETATM 88 N TPO A 340 -4.308 -1.504 0.967 1.00 99.99 N HETATM 89 CA TPO A 340 -4.772 -1.938 2.309 1.00 99.99 C HETATM 90 CB TPO A 340 -5.191 -3.419 2.201 1.00 99.99 C HETATM 91 CG2 TPO A 340 -6.486 -3.624 1.410 1.00 99.99 C HETATM 92 OG1 TPO A 340 -4.121 -4.174 1.625 1.00 99.99 O HETATM 93 C TPO A 340 -3.654 -1.817 3.372 1.00 99.99 C HETATM 94 O TPO A 340 -2.667 -1.117 3.159 1.00 99.99 O HETATM 0 HG23 TPO A 340 -7.299 -3.087 1.898 1.00 99.99 H new HETATM 0 HG22 TPO A 340 -6.357 -3.244 0.396 1.00 99.99 H new HETATM 0 HG21 TPO A 340 -6.724 -4.687 1.372 1.00 99.99 H new HETATM 0 HB TPO A 340 -5.398 -3.774 3.211 1.00 99.99 H new HETATM 0 HA TPO A 340 -5.599 -1.300 2.620 1.00 99.99 H new ATOM 96 N GLU A 341 -3.883 -2.415 4.556 1.00 99.99 N ATOM 97 CA GLU A 341 -2.824 -2.684 5.547 1.00 99.99 C ATOM 98 C GLU A 341 -1.831 -3.742 5.028 1.00 99.99 C ATOM 99 O GLU A 341 -0.656 -3.633 5.339 1.00 99.99 O ATOM 100 CB GLU A 341 -3.457 -3.049 6.904 1.00 99.99 C ATOM 101 CG GLU A 341 -2.508 -3.430 8.057 1.00 99.99 C ATOM 102 CD GLU A 341 -1.403 -2.417 8.390 1.00 99.99 C ATOM 103 OE1 GLU A 341 -1.745 -1.282 8.789 1.00 99.99 O ATOM 104 OE2 GLU A 341 -0.228 -2.832 8.296 1.00 99.99 O ATOM 0 H GLU A 341 -4.808 -2.726 4.853 1.00 99.99 H new ATOM 0 HA GLU A 341 -2.234 -1.781 5.703 1.00 99.99 H new ATOM 0 HB2 GLU A 341 -4.060 -2.202 7.232 1.00 99.99 H new ATOM 0 HB3 GLU A 341 -4.140 -3.883 6.742 1.00 99.99 H new ATOM 0 HG2 GLU A 341 -3.106 -3.591 8.954 1.00 99.99 H new ATOM 0 HG3 GLU A 341 -2.037 -4.382 7.813 1.00 99.99 H new HETATM 106 N TPO A 342 -2.303 -4.732 4.251 1.00 99.99 N HETATM 107 CA TPO A 342 -1.405 -5.645 3.510 1.00 99.99 C HETATM 108 CB TPO A 342 -2.089 -6.946 3.037 1.00 99.99 C HETATM 109 CG2 TPO A 342 -2.289 -7.907 4.211 1.00 99.99 C HETATM 110 OG1 TPO A 342 -3.319 -6.719 2.345 1.00 99.99 O HETATM 111 C TPO A 342 -0.568 -4.972 2.399 1.00 99.99 C HETATM 112 O TPO A 342 0.424 -5.539 1.957 1.00 99.99 O HETATM 0 HG23 TPO A 342 -1.321 -8.155 4.647 1.00 99.99 H new HETATM 0 HG22 TPO A 342 -2.916 -7.433 4.966 1.00 99.99 H new HETATM 0 HG21 TPO A 342 -2.772 -8.818 3.857 1.00 99.99 H new HETATM 0 HB TPO A 342 -1.416 -7.405 2.313 1.00 99.99 H new HETATM 0 HA TPO A 342 -0.676 -5.946 4.262 1.00 99.99 H new HETATM 0 H TPO A 342 -3.278 -4.990 4.406 1.00 99.99 H new HETATM 114 N SEP A 343 -1.023 -3.803 1.918 1.00 99.99 N HETATM 115 CA SEP A 343 -0.199 -2.889 1.108 1.00 99.99 C HETATM 116 CB SEP A 343 -1.136 -1.946 0.344 1.00 99.99 C HETATM 117 OG SEP A 343 -0.431 -1.011 -0.473 1.00 99.99 O HETATM 118 C SEP A 343 0.839 -2.128 1.959 1.00 99.99 C HETATM 119 O SEP A 343 1.958 -1.935 1.503 1.00 99.99 O HETATM 0 HB3 SEP A 343 -1.807 -2.535 -0.281 1.00 99.99 H new HETATM 0 HB2 SEP A 343 -1.758 -1.403 1.056 1.00 99.99 H new HETATM 0 HA SEP A 343 0.390 -3.466 0.395 1.00 99.99 H new HETATM 0 H SEP A 343 -2.040 -3.728 1.895 1.00 99.99 H new ATOM 121 N GLN A 344 0.460 -1.709 3.183 1.00 99.99 N ATOM 122 CA GLN A 344 1.397 -1.097 4.148 1.00 99.99 C ATOM 123 C GLN A 344 2.501 -2.074 4.610 1.00 99.99 C ATOM 124 O GLN A 344 3.653 -1.675 4.657 1.00 99.99 O ATOM 125 CB GLN A 344 0.660 -0.508 5.366 1.00 99.99 C ATOM 126 CG GLN A 344 -0.274 0.675 5.057 1.00 99.99 C ATOM 127 CD GLN A 344 0.401 2.050 4.933 1.00 99.99 C ATOM 128 OE1 GLN A 344 0.341 2.873 5.843 1.00 99.99 O ATOM 129 NE2 GLN A 344 0.927 2.323 3.740 1.00 99.99 N ATOM 0 H GLN A 344 -0.497 -1.784 3.529 1.00 99.99 H new ATOM 0 HA GLN A 344 1.885 -0.282 3.613 1.00 99.99 H new ATOM 0 HB2 GLN A 344 0.075 -1.300 5.834 1.00 99.99 H new ATOM 0 HB3 GLN A 344 1.401 -0.184 6.097 1.00 99.99 H new ATOM 0 HG2 GLN A 344 -0.799 0.464 4.125 1.00 99.99 H new ATOM 0 HG3 GLN A 344 -1.028 0.732 5.842 1.00 99.99 H new ATOM 0 HE21 GLN A 344 0.953 1.604 3.017 1.00 99.99 H new ATOM 0 HE22 GLN A 344 1.304 3.251 3.549 1.00 99.99 H new ATOM 133 N VAL A 345 2.134 -3.336 4.895 1.00 99.99 N ATOM 134 CA VAL A 345 3.034 -4.458 5.256 1.00 99.99 C ATOM 135 C VAL A 345 4.145 -4.735 4.220 1.00 99.99 C ATOM 136 O VAL A 345 5.183 -5.286 4.576 1.00 99.99 O ATOM 137 CB VAL A 345 2.163 -5.702 5.585 1.00 99.99 C ATOM 138 CG1 VAL A 345 2.931 -7.019 5.774 1.00 99.99 C ATOM 139 CG2 VAL A 345 1.384 -5.473 6.883 1.00 99.99 C ATOM 0 H VAL A 345 1.155 -3.620 4.881 1.00 99.99 H new ATOM 0 HA VAL A 345 3.600 -4.176 6.144 1.00 99.99 H new ATOM 0 HB VAL A 345 1.525 -5.809 4.708 1.00 99.99 H new ATOM 0 HG11 VAL A 345 2.228 -7.821 5.999 1.00 99.99 H new ATOM 0 HG12 VAL A 345 3.473 -7.258 4.859 1.00 99.99 H new ATOM 0 HG13 VAL A 345 3.637 -6.913 6.598 1.00 99.99 H new ATOM 0 HG21 VAL A 345 0.777 -6.351 7.103 1.00 99.99 H new ATOM 0 HG22 VAL A 345 2.083 -5.300 7.701 1.00 99.99 H new ATOM 0 HG23 VAL A 345 0.736 -4.604 6.770 1.00 99.99 H new ATOM 141 N ALA A 346 3.917 -4.363 2.948 1.00 99.99 N ATOM 142 CA ALA A 346 4.918 -4.540 1.884 1.00 99.99 C ATOM 143 C ALA A 346 6.199 -3.690 2.069 1.00 99.99 C ATOM 144 O ALA A 346 7.273 -4.246 1.872 1.00 99.99 O ATOM 145 CB ALA A 346 4.269 -4.406 0.499 1.00 99.99 C ATOM 0 H ALA A 346 3.046 -3.937 2.633 1.00 99.99 H new ATOM 0 HA ALA A 346 5.290 -5.561 1.964 1.00 99.99 H new ATOM 0 HB1 ALA A 346 5.027 -4.540 -0.273 1.00 99.99 H new ATOM 0 HB2 ALA A 346 3.496 -5.166 0.384 1.00 99.99 H new ATOM 0 HB3 ALA A 346 3.823 -3.417 0.401 1.00 99.99 H new ATOM 147 N PRO A 347 6.121 -2.383 2.410 1.00 99.99 N ATOM 148 CA PRO A 347 7.295 -1.668 2.953 1.00 99.99 C ATOM 149 C PRO A 347 7.530 -1.765 4.472 1.00 99.99 C ATOM 150 O PRO A 347 8.683 -1.822 4.886 1.00 99.99 O ATOM 151 CB PRO A 347 7.150 -0.216 2.480 1.00 99.99 C ATOM 152 CG PRO A 347 5.642 -0.038 2.334 1.00 99.99 C ATOM 153 CD PRO A 347 5.170 -1.407 1.844 1.00 99.99 C ATOM 0 HA PRO A 347 8.193 -2.156 2.574 1.00 99.99 H new ATOM 0 HB2 PRO A 347 7.569 0.485 3.202 1.00 99.99 H new ATOM 0 HB3 PRO A 347 7.667 -0.048 1.535 1.00 99.99 H new ATOM 0 HG2 PRO A 347 5.176 0.232 3.281 1.00 99.99 H new ATOM 0 HG3 PRO A 347 5.397 0.750 1.622 1.00 99.99 H new ATOM 0 HD2 PRO A 347 4.153 -1.613 2.177 1.00 99.99 H new ATOM 0 HD3 PRO A 347 5.164 -1.452 0.755 1.00 99.99 H new ATOM 154 N ALA A 348 6.453 -1.770 5.281 1.00 99.99 N ATOM 155 CA ALA A 348 6.522 -1.832 6.755 1.00 99.99 C ATOM 156 C ALA A 348 5.159 -2.193 7.373 1.00 99.99 C ATOM 157 O ALA A 348 5.082 -3.314 7.918 1.00 99.99 O ATOM 158 CB ALA A 348 7.034 -0.512 7.353 1.00 99.99 C ATOM 159 OXT ALA A 348 4.245 -1.338 7.354 1.00 99.99 O ATOM 0 H ALA A 348 5.498 -1.731 4.925 1.00 99.99 H new ATOM 0 HA ALA A 348 7.232 -2.622 7.001 1.00 99.99 H new ATOM 0 HB1 ALA A 348 7.071 -0.595 8.439 1.00 99.99 H new ATOM 0 HB2 ALA A 348 8.033 -0.303 6.970 1.00 99.99 H new ATOM 0 HB3 ALA A 348 6.361 0.299 7.074 1.00 99.99 H new TER 161 ALA A 348