USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 133 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 VAL N :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 46:sc= 0.271 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.914 0.632 -0.383 1.00 11.13 N ATOM 2 CA VAL A 1 1.848 -0.250 -1.072 1.00 22.13 C ATOM 3 C VAL A 1 1.191 -0.913 -2.277 1.00 50.00 C ATOM 4 O VAL A 1 1.418 -0.514 -3.419 1.00 4.54 O ATOM 5 CB VAL A 1 2.387 -1.343 -0.129 1.00 43.43 C ATOM 6 CG1 VAL A 1 3.085 -2.437 -0.924 1.00 14.45 C ATOM 7 CG2 VAL A 1 3.328 -0.739 0.902 1.00 4.12 C ATOM 0 H1 VAL A 1 1.429 1.208 0.313 1.00 11.13 H new ATOM 0 H2 VAL A 1 0.451 1.256 -1.075 1.00 11.13 H new ATOM 0 H3 VAL A 1 0.194 0.062 0.105 1.00 11.13 H new ATOM 0 HA VAL A 1 2.678 0.370 -1.410 1.00 22.13 H new ATOM 0 HB VAL A 1 1.545 -1.791 0.399 1.00 43.43 H new ATOM 0 HG11 VAL A 1 3.459 -3.200 -0.242 1.00 14.45 H new ATOM 0 HG12 VAL A 1 2.378 -2.888 -1.620 1.00 14.45 H new ATOM 0 HG13 VAL A 1 3.918 -2.007 -1.480 1.00 14.45 H new ATOM 0 HG21 VAL A 1 3.700 -1.525 1.560 1.00 4.12 H new ATOM 0 HG22 VAL A 1 4.167 -0.264 0.394 1.00 4.12 H new ATOM 0 HG23 VAL A 1 2.792 0.005 1.492 1.00 4.12 H new ATOM 17 N ALA A 2 0.374 -1.928 -2.015 1.00 22.11 N ATOM 18 CA ALA A 2 -0.319 -2.645 -3.078 1.00 65.30 C ATOM 19 C ALA A 2 -1.826 -2.649 -2.846 1.00 43.12 C ATOM 20 O ALA A 2 -2.304 -3.131 -1.820 1.00 32.25 O ATOM 21 CB ALA A 2 0.205 -4.070 -3.181 1.00 72.34 C ATOM 0 H ALA A 2 0.176 -2.272 -1.075 1.00 22.11 H new ATOM 0 HA ALA A 2 -0.124 -2.129 -4.018 1.00 65.30 H new ATOM 0 HB1 ALA A 2 -0.321 -4.594 -3.979 1.00 72.34 H new ATOM 0 HB2 ALA A 2 1.272 -4.050 -3.402 1.00 72.34 H new ATOM 0 HB3 ALA A 2 0.040 -4.588 -2.236 1.00 72.34 H new ATOM 27 N ARG A 3 -2.569 -2.107 -3.806 1.00 24.41 N ATOM 28 CA ARG A 3 -4.022 -2.047 -3.705 1.00 2.42 C ATOM 29 C ARG A 3 -4.601 -3.418 -3.370 1.00 73.04 C ATOM 30 O ARG A 3 -5.646 -3.522 -2.729 1.00 60.21 O ATOM 31 CB ARG A 3 -4.624 -1.532 -5.013 1.00 53.23 C ATOM 32 CG ARG A 3 -4.764 -2.603 -6.082 1.00 60.05 C ATOM 33 CD ARG A 3 -4.768 -2.000 -7.478 1.00 50.34 C ATOM 34 NE ARG A 3 -6.088 -2.065 -8.099 1.00 15.31 N ATOM 35 CZ ARG A 3 -6.297 -1.909 -9.402 1.00 23.34 C ATOM 36 NH1 ARG A 3 -5.276 -1.681 -10.217 1.00 33.51 N ATOM 37 NH2 ARG A 3 -7.528 -1.982 -9.891 1.00 62.22 N ATOM 0 H ARG A 3 -2.189 -1.703 -4.662 1.00 24.41 H new ATOM 0 HA ARG A 3 -4.277 -1.358 -2.900 1.00 2.42 H new ATOM 0 HB2 ARG A 3 -5.606 -1.105 -4.808 1.00 53.23 H new ATOM 0 HB3 ARG A 3 -4.000 -0.726 -5.398 1.00 53.23 H new ATOM 0 HG2 ARG A 3 -3.944 -3.315 -5.995 1.00 60.05 H new ATOM 0 HG3 ARG A 3 -5.688 -3.159 -5.922 1.00 60.05 H new ATOM 0 HD2 ARG A 3 -4.443 -0.961 -7.425 1.00 50.34 H new ATOM 0 HD3 ARG A 3 -4.047 -2.528 -8.103 1.00 50.34 H new ATOM 0 HE ARG A 3 -6.894 -2.240 -7.499 1.00 15.31 H new ATOM 0 HH11 ARG A 3 -4.328 -1.625 -9.844 1.00 33.51 H new ATOM 0 HH12 ARG A 3 -5.438 -1.562 -11.217 1.00 33.51 H new ATOM 0 HH21 ARG A 3 -8.315 -2.158 -9.267 1.00 62.22 H new ATOM 0 HH22 ARG A 3 -7.687 -1.862 -10.891 1.00 62.22 H new ATOM 51 N GLY A 4 -3.915 -4.468 -3.810 1.00 61.45 N ATOM 52 CA GLY A 4 -4.377 -5.819 -3.549 1.00 1.01 C ATOM 53 C GLY A 4 -3.389 -6.620 -2.725 1.00 21.33 C ATOM 54 O GLY A 4 -2.356 -7.057 -3.233 1.00 55.14 O ATOM 0 H GLY A 4 -3.047 -4.407 -4.343 1.00 61.45 H new ATOM 0 HA2 GLY A 4 -5.333 -5.778 -3.026 1.00 1.01 H new ATOM 0 HA3 GLY A 4 -4.553 -6.329 -4.496 1.00 1.01 H new ATOM 58 N TRP A 5 -3.704 -6.813 -1.449 1.00 54.31 N ATOM 59 CA TRP A 5 -2.835 -7.566 -0.552 1.00 41.32 C ATOM 60 C TRP A 5 -3.578 -8.748 0.060 1.00 24.22 C ATOM 61 O TRP A 5 -3.439 -9.884 -0.394 1.00 22.22 O ATOM 62 CB TRP A 5 -2.299 -6.656 0.554 1.00 24.03 C ATOM 63 CG TRP A 5 -1.024 -5.959 0.185 1.00 72.23 C ATOM 64 CD1 TRP A 5 -0.717 -4.646 0.397 1.00 10.51 C ATOM 65 CD2 TRP A 5 0.113 -6.539 -0.464 1.00 31.45 C ATOM 66 NE1 TRP A 5 0.543 -4.374 -0.080 1.00 74.22 N ATOM 67 CE2 TRP A 5 1.073 -5.520 -0.612 1.00 42.41 C ATOM 68 CE3 TRP A 5 0.414 -7.821 -0.931 1.00 23.41 C ATOM 69 CZ2 TRP A 5 2.311 -5.744 -1.209 1.00 73.12 C ATOM 70 CZ3 TRP A 5 1.643 -8.043 -1.524 1.00 11.54 C ATOM 71 CH2 TRP A 5 2.579 -7.009 -1.658 1.00 2.31 C ATOM 0 H TRP A 5 -4.555 -6.458 -1.012 1.00 54.31 H new ATOM 0 HA TRP A 5 -1.998 -7.950 -1.134 1.00 41.32 H new ATOM 0 HB2 TRP A 5 -3.055 -5.910 0.799 1.00 24.03 H new ATOM 0 HB3 TRP A 5 -2.133 -7.249 1.454 1.00 24.03 H new ATOM 0 HD1 TRP A 5 -1.369 -3.926 0.870 1.00 10.51 H new ATOM 0 HE1 TRP A 5 1.008 -3.467 -0.044 1.00 74.22 H new ATOM 0 HE3 TRP A 5 -0.301 -8.624 -0.831 1.00 23.41 H new ATOM 0 HZ2 TRP A 5 3.034 -4.948 -1.314 1.00 73.12 H new ATOM 0 HZ3 TRP A 5 1.886 -9.030 -1.890 1.00 11.54 H new ATOM 0 HH2 TRP A 5 3.531 -7.214 -2.125 1.00 2.31 H new ATOM 82 N LYS A 6 -4.367 -8.475 1.093 1.00 1.35 N ATOM 83 CA LYS A 6 -5.133 -9.516 1.768 1.00 54.41 C ATOM 84 C LYS A 6 -5.471 -10.651 0.807 1.00 31.44 C ATOM 85 O LYS A 6 -5.138 -11.809 1.059 1.00 22.52 O ATOM 86 CB LYS A 6 -6.420 -8.931 2.355 1.00 1.22 C ATOM 87 CG LYS A 6 -6.966 -7.751 1.569 1.00 31.43 C ATOM 88 CD LYS A 6 -6.570 -6.428 2.202 1.00 33.04 C ATOM 89 CE LYS A 6 -6.468 -5.322 1.164 1.00 43.24 C ATOM 90 NZ LYS A 6 -6.061 -4.025 1.773 1.00 54.04 N ATOM 0 H LYS A 6 -4.493 -7.540 1.482 1.00 1.35 H new ATOM 0 HA LYS A 6 -4.521 -9.917 2.576 1.00 54.41 H new ATOM 0 HB2 LYS A 6 -7.179 -9.712 2.395 1.00 1.22 H new ATOM 0 HB3 LYS A 6 -6.231 -8.617 3.382 1.00 1.22 H new ATOM 0 HG2 LYS A 6 -6.594 -7.791 0.545 1.00 31.43 H new ATOM 0 HG3 LYS A 6 -8.053 -7.819 1.516 1.00 31.43 H new ATOM 0 HD2 LYS A 6 -7.304 -6.151 2.959 1.00 33.04 H new ATOM 0 HD3 LYS A 6 -5.613 -6.539 2.712 1.00 33.04 H new ATOM 0 HE2 LYS A 6 -5.745 -5.607 0.400 1.00 43.24 H new ATOM 0 HE3 LYS A 6 -7.430 -5.203 0.665 1.00 43.24 H new ATOM 0 HZ1 LYS A 6 -6.003 -3.297 1.033 1.00 54.04 H new ATOM 0 HZ2 LYS A 6 -6.764 -3.740 2.485 1.00 54.04 H new ATOM 0 HZ3 LYS A 6 -5.132 -4.131 2.228 1.00 54.04 H new ATOM 104 N ARG A 7 -6.133 -10.312 -0.294 1.00 43.11 N ATOM 105 CA ARG A 7 -6.515 -11.304 -1.292 1.00 43.41 C ATOM 106 C ARG A 7 -5.329 -11.665 -2.181 1.00 45.24 C ATOM 107 O ARG A 7 -4.733 -12.733 -2.037 1.00 42.43 O ATOM 108 CB ARG A 7 -7.667 -10.778 -2.150 1.00 11.53 C ATOM 109 CG ARG A 7 -9.035 -10.966 -1.514 1.00 2.22 C ATOM 110 CD ARG A 7 -9.447 -9.745 -0.706 1.00 45.34 C ATOM 111 NE ARG A 7 -10.788 -9.285 -1.055 1.00 32.01 N ATOM 112 CZ ARG A 7 -11.484 -8.424 -0.321 1.00 1.04 C ATOM 113 NH1 ARG A 7 -10.967 -7.931 0.797 1.00 71.44 N ATOM 114 NH2 ARG A 7 -12.699 -8.054 -0.704 1.00 10.51 N ATOM 0 H ARG A 7 -6.416 -9.358 -0.518 1.00 43.11 H new ATOM 0 HA ARG A 7 -6.842 -12.202 -0.768 1.00 43.41 H new ATOM 0 HB2 ARG A 7 -7.509 -9.717 -2.345 1.00 11.53 H new ATOM 0 HB3 ARG A 7 -7.651 -11.285 -3.115 1.00 11.53 H new ATOM 0 HG2 ARG A 7 -9.775 -11.156 -2.291 1.00 2.22 H new ATOM 0 HG3 ARG A 7 -9.019 -11.843 -0.867 1.00 2.22 H new ATOM 0 HD2 ARG A 7 -9.411 -9.985 0.357 1.00 45.34 H new ATOM 0 HD3 ARG A 7 -8.732 -8.940 -0.876 1.00 45.34 H new ATOM 0 HE ARG A 7 -11.214 -9.645 -1.909 1.00 32.01 H new ATOM 0 HH11 ARG A 7 -10.033 -8.213 1.095 1.00 71.44 H new ATOM 0 HH12 ARG A 7 -11.503 -7.270 1.359 1.00 71.44 H new ATOM 0 HH21 ARG A 7 -13.100 -8.431 -1.563 1.00 10.51 H new ATOM 0 HH22 ARG A 7 -13.232 -7.393 -0.139 1.00 10.51 H new ATOM 128 N LYS A 8 -4.991 -10.768 -3.102 1.00 1.14 N ATOM 129 CA LYS A 8 -3.876 -10.990 -4.015 1.00 21.14 C ATOM 130 C LYS A 8 -2.542 -10.855 -3.287 1.00 61.03 C ATOM 131 O LYS A 8 -2.177 -9.768 -2.837 1.00 62.25 O ATOM 132 CB LYS A 8 -3.937 -9.998 -5.178 1.00 72.02 C ATOM 133 CG LYS A 8 -4.039 -10.663 -6.540 1.00 33.21 C ATOM 134 CD LYS A 8 -5.355 -10.334 -7.224 1.00 53.32 C ATOM 135 CE LYS A 8 -6.528 -11.012 -6.533 1.00 12.42 C ATOM 136 NZ LYS A 8 -7.808 -10.292 -6.779 1.00 35.02 N ATOM 0 H LYS A 8 -5.474 -9.880 -3.236 1.00 1.14 H new ATOM 0 HA LYS A 8 -3.956 -12.004 -4.406 1.00 21.14 H new ATOM 0 HB2 LYS A 8 -4.795 -9.340 -5.039 1.00 72.02 H new ATOM 0 HB3 LYS A 8 -3.047 -9.370 -5.156 1.00 72.02 H new ATOM 0 HG2 LYS A 8 -3.210 -10.337 -7.168 1.00 33.21 H new ATOM 0 HG3 LYS A 8 -3.947 -11.743 -6.426 1.00 33.21 H new ATOM 0 HD2 LYS A 8 -5.506 -9.255 -7.224 1.00 53.32 H new ATOM 0 HD3 LYS A 8 -5.313 -10.650 -8.266 1.00 53.32 H new ATOM 0 HE2 LYS A 8 -6.615 -12.039 -6.888 1.00 12.42 H new ATOM 0 HE3 LYS A 8 -6.339 -11.061 -5.461 1.00 12.42 H new ATOM 0 HZ1 LYS A 8 -8.583 -10.785 -6.291 1.00 35.02 H new ATOM 0 HZ2 LYS A 8 -7.735 -9.320 -6.417 1.00 35.02 H new ATOM 0 HZ3 LYS A 8 -8.002 -10.267 -7.801 1.00 35.02 H new ATOM 150 N CYS A 9 -1.819 -11.964 -3.177 1.00 3.31 N ATOM 151 CA CYS A 9 -0.524 -11.968 -2.505 1.00 33.44 C ATOM 152 C CYS A 9 0.600 -12.260 -3.493 1.00 5.42 C ATOM 153 O CYS A 9 1.177 -13.347 -3.512 1.00 22.11 O ATOM 154 CB CYS A 9 -0.514 -13.006 -1.381 1.00 44.10 C ATOM 155 SG CYS A 9 -1.965 -12.943 -0.305 1.00 33.51 S ATOM 0 H CYS A 9 -2.107 -12.871 -3.544 1.00 3.31 H new ATOM 0 HA CYS A 9 -0.360 -10.979 -2.078 1.00 33.44 H new ATOM 0 HB2 CYS A 9 -0.444 -14.001 -1.821 1.00 44.10 H new ATOM 0 HB3 CYS A 9 0.381 -12.861 -0.775 1.00 44.10 H new ATOM 0 HG CYS A 9 -3.040 -12.858 -1.031 1.00 33.51 H new ATOM 161 N PRO A 10 0.920 -11.266 -4.335 1.00 61.13 N ATOM 162 CA PRO A 10 1.977 -11.392 -5.343 1.00 23.00 C ATOM 163 C PRO A 10 3.368 -11.443 -4.720 1.00 64.34 C ATOM 164 O PRO A 10 4.187 -12.292 -5.075 1.00 25.21 O ATOM 165 CB PRO A 10 1.816 -10.125 -6.187 1.00 34.30 C ATOM 166 CG PRO A 10 1.169 -9.142 -5.274 1.00 13.20 C ATOM 167 CD PRO A 10 0.274 -9.943 -4.369 1.00 24.12 C ATOM 0 HA PRO A 10 1.887 -12.316 -5.915 1.00 23.00 H new ATOM 0 HB2 PRO A 10 2.780 -9.761 -6.542 1.00 34.30 H new ATOM 0 HB3 PRO A 10 1.202 -10.311 -7.068 1.00 34.30 H new ATOM 0 HG2 PRO A 10 1.915 -8.594 -4.699 1.00 13.20 H new ATOM 0 HG3 PRO A 10 0.596 -8.405 -5.837 1.00 13.20 H new ATOM 0 HD2 PRO A 10 0.209 -9.502 -3.374 1.00 24.12 H new ATOM 0 HD3 PRO A 10 -0.742 -10.002 -4.758 1.00 24.12 H new ATOM 175 N LEU A 11 3.629 -10.531 -3.791 1.00 3.11 N ATOM 176 CA LEU A 11 4.922 -10.472 -3.118 1.00 23.51 C ATOM 177 C LEU A 11 4.772 -10.744 -1.625 1.00 33.44 C ATOM 178 O LEU A 11 5.053 -11.846 -1.152 1.00 2.10 O ATOM 179 CB LEU A 11 5.572 -9.105 -3.336 1.00 15.42 C ATOM 180 CG LEU A 11 4.768 -8.105 -4.169 1.00 31.34 C ATOM 181 CD1 LEU A 11 5.288 -6.692 -3.954 1.00 74.24 C ATOM 182 CD2 LEU A 11 4.820 -8.477 -5.643 1.00 54.34 C ATOM 0 H LEU A 11 2.962 -9.822 -3.486 1.00 3.11 H new ATOM 0 HA LEU A 11 5.562 -11.244 -3.547 1.00 23.51 H new ATOM 0 HB2 LEU A 11 5.770 -8.659 -2.361 1.00 15.42 H new ATOM 0 HB3 LEU A 11 6.537 -9.257 -3.819 1.00 15.42 H new ATOM 0 HG LEU A 11 3.729 -8.141 -3.843 1.00 31.34 H new ATOM 0 HD11 LEU A 11 4.704 -5.994 -4.554 1.00 74.24 H new ATOM 0 HD12 LEU A 11 5.198 -6.428 -2.900 1.00 74.24 H new ATOM 0 HD13 LEU A 11 6.335 -6.640 -4.253 1.00 74.24 H new ATOM 0 HD21 LEU A 11 4.243 -7.755 -6.221 1.00 54.34 H new ATOM 0 HD22 LEU A 11 5.855 -8.470 -5.984 1.00 54.34 H new ATOM 0 HD23 LEU A 11 4.399 -9.473 -5.782 1.00 54.34 H new ATOM 194 N PHE A 12 4.324 -9.734 -0.887 1.00 32.14 N ATOM 195 CA PHE A 12 4.134 -9.864 0.553 1.00 21.34 C ATOM 196 C PHE A 12 2.691 -9.556 0.942 1.00 61.11 C ATOM 197 O PHE A 12 2.352 -8.417 1.259 1.00 12.12 O ATOM 198 CB PHE A 12 5.086 -8.929 1.301 1.00 4.03 C ATOM 199 CG PHE A 12 5.674 -7.852 0.434 1.00 75.52 C ATOM 200 CD1 PHE A 12 4.989 -6.667 0.219 1.00 73.44 C ATOM 201 CD2 PHE A 12 6.910 -8.026 -0.167 1.00 1.13 C ATOM 202 CE1 PHE A 12 5.526 -5.675 -0.579 1.00 2.42 C ATOM 203 CE2 PHE A 12 7.453 -7.037 -0.965 1.00 12.53 C ATOM 204 CZ PHE A 12 6.760 -5.860 -1.172 1.00 55.00 C ATOM 0 H PHE A 12 4.086 -8.816 -1.262 1.00 32.14 H new ATOM 0 HA PHE A 12 4.354 -10.895 0.831 1.00 21.34 H new ATOM 0 HB2 PHE A 12 4.550 -8.465 2.129 1.00 4.03 H new ATOM 0 HB3 PHE A 12 5.895 -9.518 1.734 1.00 4.03 H new ATOM 0 HD1 PHE A 12 4.024 -6.517 0.680 1.00 73.44 H new ATOM 0 HD2 PHE A 12 7.455 -8.945 -0.010 1.00 1.13 H new ATOM 0 HE1 PHE A 12 4.982 -4.756 -0.739 1.00 2.42 H new ATOM 0 HE2 PHE A 12 8.418 -7.184 -1.426 1.00 12.53 H new ATOM 0 HZ PHE A 12 7.182 -5.086 -1.796 1.00 55.00 H new ATOM 214 N GLY A 13 1.845 -10.581 0.914 1.00 71.43 N ATOM 215 CA GLY A 13 0.448 -10.400 1.264 1.00 22.41 C ATOM 216 C GLY A 13 0.161 -10.763 2.708 1.00 71.04 C ATOM 217 O GLY A 13 -0.984 -10.699 3.156 1.00 70.21 O ATOM 0 H GLY A 13 2.102 -11.534 0.655 1.00 71.43 H new ATOM 0 HA2 GLY A 13 0.164 -9.362 1.090 1.00 22.41 H new ATOM 0 HA3 GLY A 13 -0.170 -11.013 0.608 1.00 22.41 H new ATOM 221 N LYS A 14 1.202 -11.147 3.438 1.00 3.21 N ATOM 222 CA LYS A 14 1.058 -11.522 4.840 1.00 73.04 C ATOM 223 C LYS A 14 0.710 -10.308 5.695 1.00 51.22 C ATOM 224 O LYS A 14 -0.108 -10.395 6.610 1.00 43.30 O ATOM 225 CB LYS A 14 2.347 -12.167 5.352 1.00 64.32 C ATOM 226 CG LYS A 14 3.584 -11.314 5.130 1.00 2.11 C ATOM 227 CD LYS A 14 4.734 -12.134 4.569 1.00 40.50 C ATOM 228 CE LYS A 14 6.022 -11.326 4.520 1.00 61.13 C ATOM 229 NZ LYS A 14 7.188 -12.110 5.014 1.00 74.42 N ATOM 0 H LYS A 14 2.156 -11.207 3.082 1.00 3.21 H new ATOM 0 HA LYS A 14 0.244 -12.243 4.915 1.00 73.04 H new ATOM 0 HB2 LYS A 14 2.243 -12.371 6.418 1.00 64.32 H new ATOM 0 HB3 LYS A 14 2.485 -13.128 4.856 1.00 64.32 H new ATOM 0 HG2 LYS A 14 3.348 -10.500 4.444 1.00 2.11 H new ATOM 0 HG3 LYS A 14 3.887 -10.858 6.073 1.00 2.11 H new ATOM 0 HD2 LYS A 14 4.883 -13.022 5.184 1.00 40.50 H new ATOM 0 HD3 LYS A 14 4.481 -12.479 3.566 1.00 40.50 H new ATOM 0 HE2 LYS A 14 6.209 -11.003 3.496 1.00 61.13 H new ATOM 0 HE3 LYS A 14 5.909 -10.425 5.123 1.00 61.13 H new ATOM 0 HZ1 LYS A 14 8.046 -11.524 4.965 1.00 74.42 H new ATOM 0 HZ2 LYS A 14 7.021 -12.397 6.000 1.00 74.42 H new ATOM 0 HZ3 LYS A 14 7.312 -12.957 4.423 1.00 74.42 H new ATOM 243 N GLY A 15 1.336 -9.175 5.389 1.00 33.11 N ATOM 244 CA GLY A 15 1.078 -7.959 6.139 1.00 74.55 C ATOM 245 C GLY A 15 0.547 -6.841 5.264 1.00 43.21 C ATOM 246 O GLY A 15 -0.225 -5.999 5.721 1.00 42.02 O ATOM 0 H GLY A 15 2.017 -9.078 4.636 1.00 33.11 H new ATOM 0 HA2 GLY A 15 0.359 -8.170 6.931 1.00 74.55 H new ATOM 0 HA3 GLY A 15 1.998 -7.632 6.623 1.00 74.55 H new ATOM 250 N GLY A 16 0.964 -6.830 4.001 1.00 22.33 N ATOM 251 CA GLY A 16 0.517 -5.801 3.081 1.00 4.21 C ATOM 252 C GLY A 16 0.709 -4.404 3.637 1.00 40.41 C ATOM 253 O GLY A 16 -0.135 -3.530 3.441 1.00 13.45 O ATOM 0 H GLY A 16 1.603 -7.516 3.599 1.00 22.33 H new ATOM 0 HA2 GLY A 16 1.064 -5.894 2.143 1.00 4.21 H new ATOM 0 HA3 GLY A 16 -0.537 -5.956 2.852 1.00 4.21 H new TER 257 GLY A 16