USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 9 CYS SG : rot -149:sc= -26.8! USER MOD Set 1.2: B 9 CYS SG : rot -95:sc= -17.2! USER MOD Single : A 1 VAL N :NH3+ 147:sc= -0.0253 (180deg=-0.391) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0114) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.032 (180deg=-0.471) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.022 -0.974 -2.262 1.00 35.53 N ATOM 2 CA VAL A 1 1.216 -0.778 -3.006 1.00 32.11 C ATOM 3 C VAL A 1 2.323 -1.683 -2.479 1.00 23.53 C ATOM 4 O VAL A 1 2.389 -1.969 -1.283 1.00 44.25 O ATOM 5 CB VAL A 1 1.687 0.686 -2.934 1.00 44.45 C ATOM 6 CG1 VAL A 1 1.819 1.135 -1.487 1.00 40.11 C ATOM 7 CG2 VAL A 1 3.004 0.858 -3.677 1.00 1.55 C ATOM 0 H1 VAL A 1 -0.540 -0.074 -2.207 1.00 35.53 H new ATOM 0 H2 VAL A 1 -0.609 -1.683 -2.746 1.00 35.53 H new ATOM 0 H3 VAL A 1 0.199 -1.305 -1.301 1.00 35.53 H new ATOM 0 HA VAL A 1 1.006 -1.034 -4.044 1.00 32.11 H new ATOM 0 HB VAL A 1 0.938 1.315 -3.416 1.00 44.45 H new ATOM 0 HG11 VAL A 1 2.153 2.172 -1.457 1.00 40.11 H new ATOM 0 HG12 VAL A 1 0.853 1.050 -0.990 1.00 40.11 H new ATOM 0 HG13 VAL A 1 2.546 0.505 -0.975 1.00 40.11 H new ATOM 0 HG21 VAL A 1 3.323 1.899 -3.616 1.00 1.55 H new ATOM 0 HG22 VAL A 1 3.763 0.219 -3.225 1.00 1.55 H new ATOM 0 HG23 VAL A 1 2.871 0.580 -4.722 1.00 1.55 H new ATOM 17 N ALA A 2 3.192 -2.132 -3.379 1.00 21.12 N ATOM 18 CA ALA A 2 4.299 -3.003 -3.004 1.00 70.32 C ATOM 19 C ALA A 2 5.369 -2.233 -2.237 1.00 75.12 C ATOM 20 O ALA A 2 5.525 -2.406 -1.028 1.00 74.14 O ATOM 21 CB ALA A 2 4.900 -3.655 -4.241 1.00 13.21 C ATOM 0 H ALA A 2 3.151 -1.907 -4.373 1.00 21.12 H new ATOM 0 HA ALA A 2 3.910 -3.782 -2.349 1.00 70.32 H new ATOM 0 HB1 ALA A 2 5.726 -4.303 -3.946 1.00 13.21 H new ATOM 0 HB2 ALA A 2 4.137 -4.247 -4.747 1.00 13.21 H new ATOM 0 HB3 ALA A 2 5.268 -2.883 -4.917 1.00 13.21 H new ATOM 27 N ARG A 3 6.103 -1.383 -2.948 1.00 20.44 N ATOM 28 CA ARG A 3 7.159 -0.588 -2.333 1.00 64.24 C ATOM 29 C ARG A 3 6.895 0.903 -2.519 1.00 1.10 C ATOM 30 O ARG A 3 5.841 1.409 -2.137 1.00 53.35 O ATOM 31 CB ARG A 3 8.518 -0.955 -2.934 1.00 52.10 C ATOM 32 CG ARG A 3 8.865 -2.429 -2.801 1.00 13.32 C ATOM 33 CD ARG A 3 8.828 -2.881 -1.349 1.00 44.53 C ATOM 34 NE ARG A 3 9.612 -2.003 -0.483 1.00 73.42 N ATOM 35 CZ ARG A 3 9.580 -2.061 0.844 1.00 60.55 C ATOM 36 NH1 ARG A 3 8.808 -2.951 1.453 1.00 4.32 N ATOM 37 NH2 ARG A 3 10.322 -1.229 1.563 1.00 32.21 N ATOM 0 H ARG A 3 5.986 -1.227 -3.949 1.00 20.44 H new ATOM 0 HA ARG A 3 7.170 -0.807 -1.265 1.00 64.24 H new ATOM 0 HB2 ARG A 3 8.524 -0.683 -3.989 1.00 52.10 H new ATOM 0 HB3 ARG A 3 9.293 -0.363 -2.447 1.00 52.10 H new ATOM 0 HG2 ARG A 3 8.163 -3.023 -3.386 1.00 13.32 H new ATOM 0 HG3 ARG A 3 9.857 -2.609 -3.214 1.00 13.32 H new ATOM 0 HD2 ARG A 3 7.795 -2.904 -1.002 1.00 44.53 H new ATOM 0 HD3 ARG A 3 9.211 -3.899 -1.276 1.00 44.53 H new ATOM 0 HE ARG A 3 10.217 -1.308 -0.921 1.00 73.42 H new ATOM 0 HH11 ARG A 3 8.237 -3.593 0.903 1.00 4.32 H new ATOM 0 HH12 ARG A 3 8.785 -2.994 2.472 1.00 4.32 H new ATOM 0 HH21 ARG A 3 10.917 -0.544 1.097 1.00 32.21 H new ATOM 0 HH22 ARG A 3 10.297 -1.274 2.582 1.00 32.21 H new ATOM 51 N GLY A 4 7.861 1.602 -3.108 1.00 24.44 N ATOM 52 CA GLY A 4 7.714 3.028 -3.333 1.00 21.32 C ATOM 53 C GLY A 4 7.954 3.414 -4.779 1.00 4.23 C ATOM 54 O GLY A 4 9.090 3.669 -5.179 1.00 41.03 O ATOM 0 H GLY A 4 8.743 1.206 -3.433 1.00 24.44 H new ATOM 0 HA2 GLY A 4 6.711 3.338 -3.039 1.00 21.32 H new ATOM 0 HA3 GLY A 4 8.414 3.568 -2.695 1.00 21.32 H new ATOM 58 N TRP A 5 6.884 3.456 -5.564 1.00 10.35 N ATOM 59 CA TRP A 5 6.984 3.813 -6.974 1.00 64.23 C ATOM 60 C TRP A 5 7.486 5.243 -7.140 1.00 1.01 C ATOM 61 O TRP A 5 6.704 6.193 -7.112 1.00 11.44 O ATOM 62 CB TRP A 5 5.627 3.653 -7.660 1.00 35.12 C ATOM 63 CG TRP A 5 4.902 2.404 -7.258 1.00 72.12 C ATOM 64 CD1 TRP A 5 3.560 2.267 -7.046 1.00 54.51 C ATOM 65 CD2 TRP A 5 5.481 1.117 -7.019 1.00 32.42 C ATOM 66 NE1 TRP A 5 3.269 0.973 -6.689 1.00 63.32 N ATOM 67 CE2 TRP A 5 4.431 0.247 -6.666 1.00 74.51 C ATOM 68 CE3 TRP A 5 6.784 0.614 -7.070 1.00 75.40 C ATOM 69 CZ2 TRP A 5 4.646 -1.096 -6.366 1.00 14.12 C ATOM 70 CZ3 TRP A 5 6.995 -0.719 -6.771 1.00 43.13 C ATOM 71 CH2 TRP A 5 5.931 -1.562 -6.424 1.00 0.54 C ATOM 0 H TRP A 5 5.937 3.247 -5.248 1.00 10.35 H new ATOM 0 HA TRP A 5 7.701 3.140 -7.443 1.00 64.23 H new ATOM 0 HB2 TRP A 5 5.005 4.517 -7.425 1.00 35.12 H new ATOM 0 HB3 TRP A 5 5.772 3.649 -8.740 1.00 35.12 H new ATOM 0 HD1 TRP A 5 2.834 3.060 -7.145 1.00 54.51 H new ATOM 0 HE1 TRP A 5 2.339 0.611 -6.476 1.00 63.32 H new ATOM 0 HE3 TRP A 5 7.611 1.255 -7.338 1.00 75.40 H new ATOM 0 HZ2 TRP A 5 3.827 -1.747 -6.097 1.00 14.12 H new ATOM 0 HZ3 TRP A 5 7.998 -1.118 -6.805 1.00 43.13 H new ATOM 0 HH2 TRP A 5 6.129 -2.599 -6.198 1.00 0.54 H new ATOM 82 N LYS A 6 8.795 5.390 -7.313 1.00 62.12 N ATOM 83 CA LYS A 6 9.402 6.705 -7.485 1.00 70.42 C ATOM 84 C LYS A 6 9.839 6.917 -8.931 1.00 53.31 C ATOM 85 O LYS A 6 9.007 6.991 -9.836 1.00 2.31 O ATOM 86 CB LYS A 6 10.603 6.861 -6.550 1.00 63.21 C ATOM 87 CG LYS A 6 11.473 5.618 -6.464 1.00 13.20 C ATOM 88 CD LYS A 6 12.947 5.975 -6.367 1.00 74.54 C ATOM 89 CE LYS A 6 13.353 6.283 -4.934 1.00 72.05 C ATOM 90 NZ LYS A 6 14.701 6.911 -4.863 1.00 41.21 N ATOM 0 H LYS A 6 9.457 4.614 -7.338 1.00 62.12 H new ATOM 0 HA LYS A 6 8.655 7.458 -7.235 1.00 70.42 H new ATOM 0 HB2 LYS A 6 11.212 7.698 -6.892 1.00 63.21 H new ATOM 0 HB3 LYS A 6 10.245 7.114 -5.552 1.00 63.21 H new ATOM 0 HG2 LYS A 6 11.182 5.029 -5.594 1.00 13.20 H new ATOM 0 HG3 LYS A 6 11.306 4.994 -7.342 1.00 13.20 H new ATOM 0 HD2 LYS A 6 13.548 5.149 -6.747 1.00 74.54 H new ATOM 0 HD3 LYS A 6 13.156 6.838 -6.999 1.00 74.54 H new ATOM 0 HE2 LYS A 6 12.618 6.949 -4.483 1.00 72.05 H new ATOM 0 HE3 LYS A 6 13.350 5.363 -4.350 1.00 72.05 H new ATOM 0 HZ1 LYS A 6 14.941 7.106 -3.870 1.00 41.21 H new ATOM 0 HZ2 LYS A 6 15.407 6.265 -5.270 1.00 41.21 H new ATOM 0 HZ3 LYS A 6 14.698 7.802 -5.399 1.00 41.21 H new ATOM 104 N ARG A 7 11.148 7.014 -9.141 1.00 75.51 N ATOM 105 CA ARG A 7 11.694 7.217 -10.477 1.00 51.33 C ATOM 106 C ARG A 7 12.054 5.884 -11.126 1.00 44.24 C ATOM 107 O ARG A 7 11.322 5.376 -11.976 1.00 11.43 O ATOM 108 CB ARG A 7 12.930 8.117 -10.414 1.00 73.23 C ATOM 109 CG ARG A 7 12.708 9.402 -9.634 1.00 43.32 C ATOM 110 CD ARG A 7 11.510 10.175 -10.163 1.00 2.42 C ATOM 111 NE ARG A 7 11.322 11.441 -9.459 1.00 51.34 N ATOM 112 CZ ARG A 7 10.164 12.091 -9.412 1.00 20.40 C ATOM 113 NH1 ARG A 7 9.097 11.595 -10.023 1.00 51.34 N ATOM 114 NH2 ARG A 7 10.072 13.238 -8.751 1.00 72.34 N ATOM 0 H ARG A 7 11.850 6.955 -8.403 1.00 75.51 H new ATOM 0 HA ARG A 7 10.930 7.702 -11.085 1.00 51.33 H new ATOM 0 HB2 ARG A 7 13.750 7.562 -9.958 1.00 73.23 H new ATOM 0 HB3 ARG A 7 13.239 8.367 -11.429 1.00 73.23 H new ATOM 0 HG2 ARG A 7 12.555 9.168 -8.581 1.00 43.32 H new ATOM 0 HG3 ARG A 7 13.600 10.025 -9.695 1.00 43.32 H new ATOM 0 HD2 ARG A 7 11.644 10.368 -11.227 1.00 2.42 H new ATOM 0 HD3 ARG A 7 10.612 9.566 -10.061 1.00 2.42 H new ATOM 0 HE ARG A 7 12.123 11.848 -8.977 1.00 51.34 H new ATOM 0 HH11 ARG A 7 9.164 10.713 -10.530 1.00 51.34 H new ATOM 0 HH12 ARG A 7 8.209 12.096 -9.986 1.00 51.34 H new ATOM 0 HH21 ARG A 7 10.891 13.621 -8.278 1.00 72.34 H new ATOM 0 HH22 ARG A 7 9.183 13.736 -8.715 1.00 72.34 H new ATOM 128 N LYS A 8 13.188 5.322 -10.721 1.00 42.31 N ATOM 129 CA LYS A 8 13.647 4.048 -11.262 1.00 0.15 C ATOM 130 C LYS A 8 12.705 2.917 -10.863 1.00 33.04 C ATOM 131 O LYS A 8 12.946 2.211 -9.883 1.00 72.42 O ATOM 132 CB LYS A 8 15.064 3.743 -10.770 1.00 71.03 C ATOM 133 CG LYS A 8 16.149 4.442 -11.571 1.00 70.10 C ATOM 134 CD LYS A 8 16.218 5.924 -11.242 1.00 73.21 C ATOM 135 CE LYS A 8 17.651 6.376 -11.006 1.00 55.54 C ATOM 136 NZ LYS A 8 18.486 6.232 -12.230 1.00 43.34 N ATOM 0 H LYS A 8 13.806 5.729 -10.019 1.00 42.31 H new ATOM 0 HA LYS A 8 13.655 4.125 -12.349 1.00 0.15 H new ATOM 0 HB2 LYS A 8 15.148 4.039 -9.724 1.00 71.03 H new ATOM 0 HB3 LYS A 8 15.230 2.667 -10.811 1.00 71.03 H new ATOM 0 HG2 LYS A 8 17.113 3.977 -11.363 1.00 70.10 H new ATOM 0 HG3 LYS A 8 15.956 4.313 -12.636 1.00 70.10 H new ATOM 0 HD2 LYS A 8 15.784 6.500 -12.059 1.00 73.21 H new ATOM 0 HD3 LYS A 8 15.620 6.129 -10.354 1.00 73.21 H new ATOM 0 HE2 LYS A 8 17.655 7.417 -10.684 1.00 55.54 H new ATOM 0 HE3 LYS A 8 18.088 5.790 -10.197 1.00 55.54 H new ATOM 0 HZ1 LYS A 8 19.446 6.582 -12.038 1.00 43.34 H new ATOM 0 HZ2 LYS A 8 18.531 5.230 -12.504 1.00 43.34 H new ATOM 0 HZ3 LYS A 8 18.065 6.784 -13.004 1.00 43.34 H new ATOM 150 N CYS A 9 11.631 2.749 -11.628 1.00 4.51 N ATOM 151 CA CYS A 9 10.653 1.704 -11.355 1.00 70.45 C ATOM 152 C CYS A 9 11.339 0.429 -10.872 1.00 3.43 C ATOM 153 O CYS A 9 11.883 -0.349 -11.656 1.00 12.21 O ATOM 154 CB CYS A 9 9.829 1.407 -12.610 1.00 42.43 C ATOM 155 SG CYS A 9 8.943 2.853 -13.276 1.00 71.12 S ATOM 0 H CYS A 9 11.417 3.324 -12.443 1.00 4.51 H new ATOM 0 HA CYS A 9 9.989 2.060 -10.567 1.00 70.45 H new ATOM 0 HB2 CYS A 9 10.491 1.013 -13.381 1.00 42.43 H new ATOM 0 HB3 CYS A 9 9.105 0.625 -12.380 1.00 42.43 H new ATOM 0 HG CYS A 9 7.844 2.462 -13.851 1.00 71.12 H new ATOM 160 N PRO A 10 11.314 0.210 -9.549 1.00 24.23 N ATOM 161 CA PRO A 10 11.929 -0.969 -8.930 1.00 55.23 C ATOM 162 C PRO A 10 11.175 -2.254 -9.257 1.00 11.34 C ATOM 163 O PRO A 10 11.753 -3.210 -9.776 1.00 54.41 O ATOM 164 CB PRO A 10 11.846 -0.667 -7.432 1.00 4.41 C ATOM 165 CG PRO A 10 10.696 0.271 -7.297 1.00 65.11 C ATOM 166 CD PRO A 10 10.684 1.095 -8.555 1.00 4.12 C ATOM 0 HA PRO A 10 12.945 -1.136 -9.289 1.00 55.23 H new ATOM 0 HB2 PRO A 10 11.685 -1.577 -6.853 1.00 4.41 H new ATOM 0 HB3 PRO A 10 12.769 -0.216 -7.067 1.00 4.41 H new ATOM 0 HG2 PRO A 10 9.760 -0.274 -7.179 1.00 65.11 H new ATOM 0 HG3 PRO A 10 10.810 0.904 -6.417 1.00 65.11 H new ATOM 0 HD2 PRO A 10 9.670 1.369 -8.846 1.00 4.12 H new ATOM 0 HD3 PRO A 10 11.242 2.023 -8.433 1.00 4.12 H new ATOM 174 N LEU A 11 9.883 -2.270 -8.950 1.00 34.25 N ATOM 175 CA LEU A 11 9.049 -3.438 -9.211 1.00 31.51 C ATOM 176 C LEU A 11 8.140 -3.201 -10.413 1.00 1.03 C ATOM 177 O LEU A 11 8.209 -3.921 -11.409 1.00 24.43 O ATOM 178 CB LEU A 11 8.207 -3.775 -7.979 1.00 10.32 C ATOM 179 CG LEU A 11 8.967 -4.346 -6.782 1.00 25.32 C ATOM 180 CD1 LEU A 11 9.839 -3.276 -6.143 1.00 21.43 C ATOM 181 CD2 LEU A 11 7.998 -4.927 -5.762 1.00 45.30 C ATOM 0 H LEU A 11 9.390 -1.487 -8.520 1.00 34.25 H new ATOM 0 HA LEU A 11 9.705 -4.279 -9.435 1.00 31.51 H new ATOM 0 HB2 LEU A 11 7.691 -2.870 -7.658 1.00 10.32 H new ATOM 0 HB3 LEU A 11 7.440 -4.492 -8.273 1.00 10.32 H new ATOM 0 HG LEU A 11 9.614 -5.148 -7.136 1.00 25.32 H new ATOM 0 HD11 LEU A 11 10.372 -3.701 -5.293 1.00 21.43 H new ATOM 0 HD12 LEU A 11 10.558 -2.908 -6.875 1.00 21.43 H new ATOM 0 HD13 LEU A 11 9.213 -2.451 -5.803 1.00 21.43 H new ATOM 0 HD21 LEU A 11 8.557 -5.329 -4.917 1.00 45.30 H new ATOM 0 HD22 LEU A 11 7.325 -4.144 -5.413 1.00 45.30 H new ATOM 0 HD23 LEU A 11 7.417 -5.725 -6.225 1.00 45.30 H new ATOM 193 N PHE A 12 7.290 -2.185 -10.313 1.00 55.20 N ATOM 194 CA PHE A 12 6.367 -1.851 -11.392 1.00 64.14 C ATOM 195 C PHE A 12 7.121 -1.307 -12.603 1.00 12.25 C ATOM 196 O PHE A 12 7.086 -0.109 -12.882 1.00 22.21 O ATOM 197 CB PHE A 12 5.339 -0.824 -10.914 1.00 32.43 C ATOM 198 CG PHE A 12 5.862 0.583 -10.892 1.00 41.32 C ATOM 199 CD1 PHE A 12 7.006 0.901 -10.177 1.00 74.51 C ATOM 200 CD2 PHE A 12 5.210 1.589 -11.587 1.00 1.42 C ATOM 201 CE1 PHE A 12 7.490 2.195 -10.155 1.00 61.15 C ATOM 202 CE2 PHE A 12 5.690 2.885 -11.569 1.00 41.33 C ATOM 203 CZ PHE A 12 6.831 3.189 -10.852 1.00 33.32 C ATOM 0 H PHE A 12 7.221 -1.578 -9.496 1.00 55.20 H new ATOM 0 HA PHE A 12 5.848 -2.763 -11.688 1.00 64.14 H new ATOM 0 HB2 PHE A 12 4.465 -0.868 -11.563 1.00 32.43 H new ATOM 0 HB3 PHE A 12 5.006 -1.095 -9.912 1.00 32.43 H new ATOM 0 HD1 PHE A 12 7.525 0.128 -9.630 1.00 74.51 H new ATOM 0 HD2 PHE A 12 4.317 1.358 -12.149 1.00 1.42 H new ATOM 0 HE1 PHE A 12 8.382 2.429 -9.594 1.00 61.15 H new ATOM 0 HE2 PHE A 12 5.173 3.660 -12.115 1.00 41.33 H new ATOM 0 HZ PHE A 12 7.207 4.201 -10.836 1.00 33.32 H new ATOM 213 N GLY A 13 7.802 -2.197 -13.317 1.00 44.15 N ATOM 214 CA GLY A 13 8.555 -1.788 -14.489 1.00 4.24 C ATOM 215 C GLY A 13 8.182 -2.582 -15.725 1.00 23.15 C ATOM 216 O GLY A 13 7.093 -2.416 -16.273 1.00 73.22 O ATOM 0 H GLY A 13 7.846 -3.194 -13.105 1.00 44.15 H new ATOM 0 HA2 GLY A 13 8.382 -0.728 -14.676 1.00 4.24 H new ATOM 0 HA3 GLY A 13 9.620 -1.907 -14.292 1.00 4.24 H new ATOM 220 N LYS A 14 9.089 -3.447 -16.166 1.00 30.21 N ATOM 221 CA LYS A 14 8.851 -4.271 -17.345 1.00 50.34 C ATOM 222 C LYS A 14 7.450 -4.873 -17.315 1.00 31.03 C ATOM 223 O LYS A 14 6.875 -5.186 -18.357 1.00 24.14 O ATOM 224 CB LYS A 14 9.895 -5.386 -17.433 1.00 62.02 C ATOM 225 CG LYS A 14 11.240 -4.920 -17.963 1.00 41.32 C ATOM 226 CD LYS A 14 12.376 -5.331 -17.041 1.00 72.13 C ATOM 227 CE LYS A 14 13.632 -4.517 -17.307 1.00 44.52 C ATOM 228 NZ LYS A 14 14.266 -4.882 -18.604 1.00 51.45 N ATOM 0 H LYS A 14 9.996 -3.596 -15.724 1.00 30.21 H new ATOM 0 HA LYS A 14 8.934 -3.633 -18.225 1.00 50.34 H new ATOM 0 HB2 LYS A 14 10.035 -5.820 -16.443 1.00 62.02 H new ATOM 0 HB3 LYS A 14 9.515 -6.178 -18.078 1.00 62.02 H new ATOM 0 HG2 LYS A 14 11.406 -5.339 -18.955 1.00 41.32 H new ATOM 0 HG3 LYS A 14 11.233 -3.835 -18.072 1.00 41.32 H new ATOM 0 HD2 LYS A 14 12.069 -5.200 -16.003 1.00 72.13 H new ATOM 0 HD3 LYS A 14 12.592 -6.391 -17.178 1.00 72.13 H new ATOM 0 HE2 LYS A 14 13.383 -3.456 -17.311 1.00 44.52 H new ATOM 0 HE3 LYS A 14 14.345 -4.674 -16.498 1.00 44.52 H new ATOM 0 HZ1 LYS A 14 15.119 -4.305 -18.748 1.00 51.45 H new ATOM 0 HZ2 LYS A 14 14.527 -5.889 -18.592 1.00 51.45 H new ATOM 0 HZ3 LYS A 14 13.595 -4.708 -19.379 1.00 51.45 H new ATOM 242 N GLY A 15 6.905 -5.031 -16.112 1.00 75.24 N ATOM 243 CA GLY A 15 5.575 -5.594 -15.969 1.00 74.13 C ATOM 244 C GLY A 15 4.696 -5.319 -17.174 1.00 20.25 C ATOM 245 O GLY A 15 4.073 -6.230 -17.717 1.00 71.10 O ATOM 0 H GLY A 15 7.361 -4.779 -15.235 1.00 75.24 H new ATOM 0 HA2 GLY A 15 5.654 -6.671 -15.819 1.00 74.13 H new ATOM 0 HA3 GLY A 15 5.103 -5.181 -15.077 1.00 74.13 H new ATOM 249 N GLY A 16 4.644 -4.058 -17.591 1.00 45.12 N ATOM 250 CA GLY A 16 3.831 -3.688 -18.735 1.00 3.21 C ATOM 251 C GLY A 16 2.351 -3.895 -18.485 1.00 13.12 C ATOM 252 O GLY A 16 1.651 -2.975 -18.063 1.00 74.32 O ATOM 0 H GLY A 16 5.150 -3.286 -17.157 1.00 45.12 H new ATOM 0 HA2 GLY A 16 4.012 -2.642 -18.982 1.00 3.21 H new ATOM 0 HA3 GLY A 16 4.136 -4.277 -19.600 1.00 3.21 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 11.007 -2.902 -28.381 1.00 54.12 N ATOM 258 CA VAL B 1 10.688 -2.001 -27.280 1.00 53.12 C ATOM 259 C VAL B 1 9.651 -0.965 -27.701 1.00 2.15 C ATOM 260 O VAL B 1 9.627 -0.527 -28.850 1.00 43.13 O ATOM 261 CB VAL B 1 11.945 -1.274 -26.768 1.00 22.05 C ATOM 262 CG1 VAL B 1 11.588 -0.321 -25.638 1.00 14.53 C ATOM 263 CG2 VAL B 1 12.994 -2.279 -26.316 1.00 62.12 C ATOM 0 H1 VAL B 1 11.492 -3.744 -28.011 1.00 54.12 H new ATOM 0 H2 VAL B 1 10.130 -3.190 -28.859 1.00 54.12 H new ATOM 0 H3 VAL B 1 11.627 -2.415 -29.059 1.00 54.12 H new ATOM 0 HA VAL B 1 10.280 -2.614 -26.477 1.00 53.12 H new ATOM 0 HB VAL B 1 12.363 -0.689 -27.587 1.00 22.05 H new ATOM 0 HG11 VAL B 1 12.489 0.184 -25.289 1.00 14.53 H new ATOM 0 HG12 VAL B 1 10.874 0.419 -25.998 1.00 14.53 H new ATOM 0 HG13 VAL B 1 11.145 -0.882 -24.815 1.00 14.53 H new ATOM 0 HG21 VAL B 1 13.876 -1.748 -25.957 1.00 62.12 H new ATOM 0 HG22 VAL B 1 12.588 -2.892 -25.512 1.00 62.12 H new ATOM 0 HG23 VAL B 1 13.271 -2.918 -27.155 1.00 62.12 H new ATOM 273 N ALA B 2 8.796 -0.577 -26.760 1.00 54.25 N ATOM 274 CA ALA B 2 7.758 0.410 -27.032 1.00 72.14 C ATOM 275 C ALA B 2 8.348 1.812 -27.139 1.00 71.14 C ATOM 276 O ALA B 2 8.370 2.406 -28.218 1.00 31.43 O ATOM 277 CB ALA B 2 6.691 0.366 -25.949 1.00 34.32 C ATOM 0 H ALA B 2 8.802 -0.931 -25.803 1.00 54.25 H new ATOM 0 HA ALA B 2 7.299 0.163 -27.989 1.00 72.14 H new ATOM 0 HB1 ALA B 2 5.922 1.108 -26.165 1.00 34.32 H new ATOM 0 HB2 ALA B 2 6.240 -0.626 -25.922 1.00 34.32 H new ATOM 0 HB3 ALA B 2 7.145 0.584 -24.982 1.00 34.32 H new ATOM 283 N ARG B 3 8.824 2.336 -26.015 1.00 24.22 N ATOM 284 CA ARG B 3 9.413 3.669 -25.983 1.00 11.35 C ATOM 285 C ARG B 3 10.865 3.612 -25.517 1.00 31.30 C ATOM 286 O ARG B 3 11.694 2.931 -26.119 1.00 31.30 O ATOM 287 CB ARG B 3 8.606 4.584 -25.059 1.00 70.20 C ATOM 288 CG ARG B 3 7.144 4.713 -25.455 1.00 22.40 C ATOM 289 CD ARG B 3 6.993 5.332 -26.836 1.00 5.25 C ATOM 290 NE ARG B 3 5.597 5.392 -27.259 1.00 1.40 N ATOM 291 CZ ARG B 3 5.153 6.200 -28.216 1.00 4.12 C ATOM 292 NH1 ARG B 3 5.993 7.011 -28.845 1.00 75.13 N ATOM 293 NH2 ARG B 3 3.868 6.197 -28.545 1.00 0.31 N ATOM 0 H ARG B 3 8.813 1.858 -25.114 1.00 24.22 H new ATOM 0 HA ARG B 3 9.390 4.073 -26.995 1.00 11.35 H new ATOM 0 HB2 ARG B 3 8.665 4.201 -24.040 1.00 70.20 H new ATOM 0 HB3 ARG B 3 9.061 5.574 -25.054 1.00 70.20 H new ATOM 0 HG2 ARG B 3 6.675 3.729 -25.443 1.00 22.40 H new ATOM 0 HG3 ARG B 3 6.620 5.326 -24.721 1.00 22.40 H new ATOM 0 HD2 ARG B 3 7.414 6.338 -26.830 1.00 5.25 H new ATOM 0 HD3 ARG B 3 7.566 4.751 -27.558 1.00 5.25 H new ATOM 0 HE ARG B 3 4.926 4.780 -26.795 1.00 1.40 H new ATOM 0 HH11 ARG B 3 6.982 7.015 -28.594 1.00 75.13 H new ATOM 0 HH12 ARG B 3 5.650 7.630 -29.579 1.00 75.13 H new ATOM 0 HH21 ARG B 3 3.220 5.574 -28.063 1.00 0.31 H new ATOM 0 HH22 ARG B 3 3.528 6.818 -29.280 1.00 0.31 H new ATOM 307 N GLY B 4 11.165 4.332 -24.441 1.00 1.34 N ATOM 308 CA GLY B 4 12.517 4.350 -23.913 1.00 71.10 C ATOM 309 C GLY B 4 12.560 4.098 -22.419 1.00 15.52 C ATOM 310 O GLY B 4 12.631 5.038 -21.627 1.00 21.14 O ATOM 0 H GLY B 4 10.496 4.903 -23.925 1.00 1.34 H new ATOM 0 HA2 GLY B 4 13.113 3.593 -24.423 1.00 71.10 H new ATOM 0 HA3 GLY B 4 12.975 5.315 -24.129 1.00 71.10 H new ATOM 314 N TRP B 5 12.514 2.829 -22.033 1.00 33.41 N ATOM 315 CA TRP B 5 12.546 2.457 -20.623 1.00 32.11 C ATOM 316 C TRP B 5 13.742 3.089 -19.920 1.00 40.23 C ATOM 317 O TRP B 5 14.860 2.578 -19.994 1.00 33.04 O ATOM 318 CB TRP B 5 12.598 0.935 -20.477 1.00 5.25 C ATOM 319 CG TRP B 5 11.689 0.215 -21.426 1.00 43.31 C ATOM 320 CD1 TRP B 5 11.941 -0.965 -22.066 1.00 40.51 C ATOM 321 CD2 TRP B 5 10.384 0.630 -21.844 1.00 2.24 C ATOM 322 NE1 TRP B 5 10.871 -1.308 -22.857 1.00 32.15 N ATOM 323 CE2 TRP B 5 9.902 -0.347 -22.737 1.00 5.31 C ATOM 324 CE3 TRP B 5 9.575 1.730 -21.548 1.00 52.44 C ATOM 325 CZ2 TRP B 5 8.649 -0.253 -23.336 1.00 63.54 C ATOM 326 CZ3 TRP B 5 8.331 1.822 -22.144 1.00 64.45 C ATOM 327 CH2 TRP B 5 7.878 0.834 -23.029 1.00 50.45 C ATOM 0 H TRP B 5 12.454 2.040 -22.676 1.00 33.41 H new ATOM 0 HA TRP B 5 11.635 2.829 -20.154 1.00 32.11 H new ATOM 0 HB2 TRP B 5 13.621 0.597 -20.639 1.00 5.25 H new ATOM 0 HB3 TRP B 5 12.331 0.666 -19.455 1.00 5.25 H new ATOM 0 HD1 TRP B 5 12.848 -1.543 -21.965 1.00 40.51 H new ATOM 0 HE1 TRP B 5 10.808 -2.143 -23.439 1.00 32.15 H new ATOM 0 HE3 TRP B 5 9.915 2.495 -20.866 1.00 52.44 H new ATOM 0 HZ2 TRP B 5 8.298 -1.012 -24.019 1.00 63.54 H new ATOM 0 HZ3 TRP B 5 7.698 2.669 -21.924 1.00 64.45 H new ATOM 0 HH2 TRP B 5 6.901 0.933 -23.477 1.00 50.45 H new ATOM 338 N LYS B 6 13.501 4.204 -19.239 1.00 1.21 N ATOM 339 CA LYS B 6 14.558 4.906 -18.521 1.00 43.41 C ATOM 340 C LYS B 6 14.238 4.997 -17.033 1.00 14.44 C ATOM 341 O LYS B 6 14.149 3.981 -16.344 1.00 23.30 O ATOM 342 CB LYS B 6 14.750 6.310 -19.099 1.00 52.41 C ATOM 343 CG LYS B 6 13.445 7.021 -19.417 1.00 63.50 C ATOM 344 CD LYS B 6 13.505 8.491 -19.041 1.00 1.52 C ATOM 345 CE LYS B 6 13.974 9.347 -20.208 1.00 23.42 C ATOM 346 NZ LYS B 6 13.739 10.797 -19.963 1.00 24.43 N ATOM 0 H LYS B 6 12.582 4.641 -19.169 1.00 1.21 H new ATOM 0 HA LYS B 6 15.482 4.340 -18.642 1.00 43.41 H new ATOM 0 HB2 LYS B 6 15.318 6.911 -18.389 1.00 52.41 H new ATOM 0 HB3 LYS B 6 15.347 6.241 -20.008 1.00 52.41 H new ATOM 0 HG2 LYS B 6 13.227 6.925 -20.481 1.00 63.50 H new ATOM 0 HG3 LYS B 6 12.627 6.540 -18.880 1.00 63.50 H new ATOM 0 HD2 LYS B 6 12.519 8.825 -18.717 1.00 1.52 H new ATOM 0 HD3 LYS B 6 14.181 8.624 -18.196 1.00 1.52 H new ATOM 0 HE2 LYS B 6 15.037 9.175 -20.380 1.00 23.42 H new ATOM 0 HE3 LYS B 6 13.451 9.043 -21.115 1.00 23.42 H new ATOM 0 HZ1 LYS B 6 14.072 11.346 -20.781 1.00 24.43 H new ATOM 0 HZ2 LYS B 6 12.722 10.965 -19.824 1.00 24.43 H new ATOM 0 HZ3 LYS B 6 14.258 11.094 -19.112 1.00 24.43 H new ATOM 360 N ARG B 7 14.063 6.221 -16.543 1.00 60.42 N ATOM 361 CA ARG B 7 13.752 6.443 -15.136 1.00 53.45 C ATOM 362 C ARG B 7 12.248 6.359 -14.893 1.00 12.55 C ATOM 363 O ARG B 7 11.729 5.316 -14.495 1.00 63.24 O ATOM 364 CB ARG B 7 14.277 7.808 -14.686 1.00 31.32 C ATOM 365 CG ARG B 7 15.787 7.855 -14.522 1.00 23.02 C ATOM 366 CD ARG B 7 16.434 8.742 -15.574 1.00 64.10 C ATOM 367 NE ARG B 7 17.741 9.234 -15.146 1.00 40.44 N ATOM 368 CZ ARG B 7 18.511 10.019 -15.892 1.00 54.31 C ATOM 369 NH1 ARG B 7 18.106 10.399 -17.096 1.00 44.14 N ATOM 370 NH2 ARG B 7 19.687 10.426 -15.433 1.00 43.43 N ATOM 0 H ARG B 7 14.131 7.073 -17.100 1.00 60.42 H new ATOM 0 HA ARG B 7 14.241 5.663 -14.553 1.00 53.45 H new ATOM 0 HB2 ARG B 7 13.975 8.562 -15.413 1.00 31.32 H new ATOM 0 HB3 ARG B 7 13.809 8.074 -13.738 1.00 31.32 H new ATOM 0 HG2 ARG B 7 16.035 8.228 -13.528 1.00 23.02 H new ATOM 0 HG3 ARG B 7 16.194 6.846 -14.595 1.00 23.02 H new ATOM 0 HD2 ARG B 7 16.544 8.182 -16.503 1.00 64.10 H new ATOM 0 HD3 ARG B 7 15.780 9.588 -15.787 1.00 64.10 H new ATOM 0 HE ARG B 7 18.081 8.960 -14.224 1.00 40.44 H new ATOM 0 HH11 ARG B 7 17.202 10.089 -17.451 1.00 44.14 H new ATOM 0 HH12 ARG B 7 18.699 11.002 -17.667 1.00 44.14 H new ATOM 0 HH21 ARG B 7 20.001 10.136 -14.507 1.00 43.43 H new ATOM 0 HH22 ARG B 7 20.277 11.029 -16.006 1.00 43.43 H new ATOM 384 N LYS B 8 11.552 7.466 -15.132 1.00 62.24 N ATOM 385 CA LYS B 8 10.108 7.519 -14.940 1.00 72.20 C ATOM 386 C LYS B 8 9.395 6.586 -15.914 1.00 13.22 C ATOM 387 O LYS B 8 8.808 7.033 -16.900 1.00 61.42 O ATOM 388 CB LYS B 8 9.600 8.951 -15.124 1.00 63.24 C ATOM 389 CG LYS B 8 10.308 9.965 -14.243 1.00 42.20 C ATOM 390 CD LYS B 8 9.497 10.285 -12.999 1.00 12.32 C ATOM 391 CE LYS B 8 8.237 11.066 -13.341 1.00 33.44 C ATOM 392 NZ LYS B 8 8.469 12.536 -13.307 1.00 12.20 N ATOM 0 H LYS B 8 11.966 8.339 -15.459 1.00 62.24 H new ATOM 0 HA LYS B 8 9.890 7.191 -13.924 1.00 72.20 H new ATOM 0 HB2 LYS B 8 9.723 9.240 -16.168 1.00 63.24 H new ATOM 0 HB3 LYS B 8 8.532 8.979 -14.910 1.00 63.24 H new ATOM 0 HG2 LYS B 8 11.284 9.577 -13.952 1.00 42.20 H new ATOM 0 HG3 LYS B 8 10.484 10.880 -14.809 1.00 42.20 H new ATOM 0 HD2 LYS B 8 9.226 9.359 -12.492 1.00 12.32 H new ATOM 0 HD3 LYS B 8 10.107 10.862 -12.304 1.00 12.32 H new ATOM 0 HE2 LYS B 8 7.888 10.776 -14.332 1.00 33.44 H new ATOM 0 HE3 LYS B 8 7.447 10.807 -12.637 1.00 33.44 H new ATOM 0 HZ1 LYS B 8 7.587 13.032 -13.546 1.00 12.20 H new ATOM 0 HZ2 LYS B 8 8.778 12.817 -12.354 1.00 12.20 H new ATOM 0 HZ3 LYS B 8 9.205 12.787 -13.997 1.00 12.20 H new ATOM 406 N CYS B 9 9.448 5.289 -15.630 1.00 13.10 N ATOM 407 CA CYS B 9 8.806 4.293 -16.480 1.00 2.15 C ATOM 408 C CYS B 9 7.461 4.800 -16.991 1.00 70.05 C ATOM 409 O CYS B 9 6.456 4.794 -16.281 1.00 33.33 O ATOM 410 CB CYS B 9 8.611 2.985 -15.710 1.00 44.20 C ATOM 411 SG CYS B 9 8.226 3.212 -13.944 1.00 22.20 S ATOM 0 H CYS B 9 9.929 4.903 -14.818 1.00 13.10 H new ATOM 0 HA CYS B 9 9.455 4.110 -17.337 1.00 2.15 H new ATOM 0 HB2 CYS B 9 7.805 2.418 -16.176 1.00 44.20 H new ATOM 0 HB3 CYS B 9 9.517 2.385 -15.799 1.00 44.20 H new ATOM 0 HG CYS B 9 9.320 3.129 -13.247 1.00 22.20 H new ATOM 416 N PRO B 10 7.440 5.250 -18.255 1.00 22.30 N ATOM 417 CA PRO B 10 6.225 5.768 -18.891 1.00 63.40 C ATOM 418 C PRO B 10 5.200 4.672 -19.161 1.00 33.24 C ATOM 419 O PRO B 10 4.036 4.787 -18.773 1.00 3.02 O ATOM 420 CB PRO B 10 6.738 6.356 -20.208 1.00 14.21 C ATOM 421 CG PRO B 10 7.990 5.604 -20.497 1.00 63.42 C ATOM 422 CD PRO B 10 8.601 5.287 -19.160 1.00 61.42 C ATOM 0 HA PRO B 10 5.709 6.490 -18.258 1.00 63.40 H new ATOM 0 HB2 PRO B 10 6.008 6.232 -21.008 1.00 14.21 H new ATOM 0 HB3 PRO B 10 6.931 7.425 -20.116 1.00 14.21 H new ATOM 0 HG2 PRO B 10 7.777 4.692 -21.055 1.00 63.42 H new ATOM 0 HG3 PRO B 10 8.671 6.199 -21.106 1.00 63.42 H new ATOM 0 HD2 PRO B 10 9.129 4.334 -19.175 1.00 61.42 H new ATOM 0 HD3 PRO B 10 9.322 6.046 -18.858 1.00 61.42 H new ATOM 430 N LEU B 11 5.638 3.609 -19.827 1.00 13.15 N ATOM 431 CA LEU B 11 4.757 2.491 -20.148 1.00 3.13 C ATOM 432 C LEU B 11 4.956 1.342 -19.165 1.00 31.24 C ATOM 433 O LEU B 11 4.061 1.018 -18.383 1.00 62.45 O ATOM 434 CB LEU B 11 5.016 2.007 -21.575 1.00 72.43 C ATOM 435 CG LEU B 11 3.882 1.219 -22.232 1.00 71.24 C ATOM 436 CD1 LEU B 11 4.011 1.260 -23.747 1.00 62.11 C ATOM 437 CD2 LEU B 11 3.873 -0.219 -21.735 1.00 25.31 C ATOM 0 H LEU B 11 6.597 3.498 -20.155 1.00 13.15 H new ATOM 0 HA LEU B 11 3.726 2.837 -20.070 1.00 3.13 H new ATOM 0 HB2 LEU B 11 5.237 2.874 -22.197 1.00 72.43 H new ATOM 0 HB3 LEU B 11 5.910 1.383 -21.569 1.00 72.43 H new ATOM 0 HG LEU B 11 2.936 1.684 -21.955 1.00 71.24 H new ATOM 0 HD11 LEU B 11 3.195 0.694 -24.197 1.00 62.11 H new ATOM 0 HD12 LEU B 11 3.966 2.294 -24.088 1.00 62.11 H new ATOM 0 HD13 LEU B 11 4.964 0.821 -24.043 1.00 62.11 H new ATOM 0 HD21 LEU B 11 3.059 -0.764 -22.213 1.00 25.31 H new ATOM 0 HD22 LEU B 11 4.822 -0.695 -21.981 1.00 25.31 H new ATOM 0 HD23 LEU B 11 3.731 -0.230 -20.654 1.00 25.31 H new ATOM 449 N PHE B 12 6.135 0.730 -19.207 1.00 40.45 N ATOM 450 CA PHE B 12 6.452 -0.382 -18.320 1.00 20.23 C ATOM 451 C PHE B 12 6.483 0.075 -16.864 1.00 54.13 C ATOM 452 O PHE B 12 7.551 0.243 -16.277 1.00 74.12 O ATOM 453 CB PHE B 12 7.800 -0.999 -18.701 1.00 14.51 C ATOM 454 CG PHE B 12 8.979 -0.181 -18.259 1.00 3.15 C ATOM 455 CD1 PHE B 12 9.094 1.150 -18.627 1.00 31.14 C ATOM 456 CD2 PHE B 12 9.974 -0.743 -17.475 1.00 21.40 C ATOM 457 CE1 PHE B 12 10.178 1.905 -18.221 1.00 0.30 C ATOM 458 CE2 PHE B 12 11.060 0.007 -17.066 1.00 2.10 C ATOM 459 CZ PHE B 12 11.163 1.333 -17.440 1.00 70.44 C ATOM 0 H PHE B 12 6.887 0.986 -19.847 1.00 40.45 H new ATOM 0 HA PHE B 12 5.672 -1.135 -18.430 1.00 20.23 H new ATOM 0 HB2 PHE B 12 7.873 -1.994 -18.261 1.00 14.51 H new ATOM 0 HB3 PHE B 12 7.840 -1.125 -19.783 1.00 14.51 H new ATOM 0 HD1 PHE B 12 8.327 1.603 -19.238 1.00 31.14 H new ATOM 0 HD2 PHE B 12 9.900 -1.779 -17.180 1.00 21.40 H new ATOM 0 HE1 PHE B 12 10.255 2.942 -18.514 1.00 0.30 H new ATOM 0 HE2 PHE B 12 11.828 -0.443 -16.454 1.00 2.10 H new ATOM 0 HZ PHE B 12 12.012 1.921 -17.122 1.00 70.44 H new ATOM 469 N GLY B 13 5.301 0.276 -16.288 1.00 62.40 N ATOM 470 CA GLY B 13 5.214 0.712 -14.907 1.00 1.22 C ATOM 471 C GLY B 13 4.328 -0.188 -14.069 1.00 21.11 C ATOM 472 O GLY B 13 4.706 -1.313 -13.740 1.00 5.43 O ATOM 0 H GLY B 13 4.403 0.145 -16.753 1.00 62.40 H new ATOM 0 HA2 GLY B 13 6.214 0.738 -14.474 1.00 1.22 H new ATOM 0 HA3 GLY B 13 4.826 1.730 -14.875 1.00 1.22 H new ATOM 476 N LYS B 14 3.145 0.307 -13.721 1.00 21.43 N ATOM 477 CA LYS B 14 2.202 -0.460 -12.915 1.00 53.23 C ATOM 478 C LYS B 14 2.076 -1.888 -13.437 1.00 15.42 C ATOM 479 O LYS B 14 1.721 -2.801 -12.693 1.00 64.41 O ATOM 480 CB LYS B 14 0.830 0.218 -12.917 1.00 13.22 C ATOM 481 CG LYS B 14 0.841 1.616 -12.323 1.00 4.02 C ATOM 482 CD LYS B 14 0.414 2.659 -13.342 1.00 63.32 C ATOM 483 CE LYS B 14 0.777 4.064 -12.887 1.00 54.13 C ATOM 484 NZ LYS B 14 -0.228 4.616 -11.937 1.00 33.22 N ATOM 0 H LYS B 14 2.816 1.236 -13.984 1.00 21.43 H new ATOM 0 HA LYS B 14 2.581 -0.498 -11.894 1.00 53.23 H new ATOM 0 HB2 LYS B 14 0.462 0.271 -13.942 1.00 13.22 H new ATOM 0 HB3 LYS B 14 0.128 -0.400 -12.357 1.00 13.22 H new ATOM 0 HG2 LYS B 14 0.173 1.652 -11.463 1.00 4.02 H new ATOM 0 HG3 LYS B 14 1.842 1.850 -11.959 1.00 4.02 H new ATOM 0 HD2 LYS B 14 0.892 2.451 -14.299 1.00 63.32 H new ATOM 0 HD3 LYS B 14 -0.662 2.594 -13.502 1.00 63.32 H new ATOM 0 HE2 LYS B 14 1.757 4.050 -12.411 1.00 54.13 H new ATOM 0 HE3 LYS B 14 0.854 4.718 -13.755 1.00 54.13 H new ATOM 0 HZ1 LYS B 14 0.055 5.575 -11.650 1.00 33.22 H new ATOM 0 HZ2 LYS B 14 -1.159 4.654 -12.399 1.00 33.22 H new ATOM 0 HZ3 LYS B 14 -0.283 4.006 -11.097 1.00 33.22 H new ATOM 498 N GLY B 15 2.369 -2.072 -14.720 1.00 62.45 N ATOM 499 CA GLY B 15 2.284 -3.392 -15.319 1.00 13.15 C ATOM 500 C GLY B 15 2.684 -4.492 -14.356 1.00 3.13 C ATOM 501 O GLY B 15 2.072 -5.559 -14.331 1.00 51.43 O ATOM 0 H GLY B 15 2.664 -1.331 -15.356 1.00 62.45 H new ATOM 0 HA2 GLY B 15 1.264 -3.567 -15.662 1.00 13.15 H new ATOM 0 HA3 GLY B 15 2.927 -3.431 -16.198 1.00 13.15 H new ATOM 505 N GLY B 16 3.718 -4.233 -13.560 1.00 50.14 N ATOM 506 CA GLY B 16 4.183 -5.220 -12.604 1.00 2.15 C ATOM 507 C GLY B 16 4.386 -6.585 -13.231 1.00 5.32 C ATOM 508 O GLY B 16 4.579 -7.576 -12.527 1.00 72.10 O ATOM 0 H GLY B 16 4.241 -3.357 -13.561 1.00 50.14 H new ATOM 0 HA2 GLY B 16 5.122 -4.882 -12.165 1.00 2.15 H new ATOM 0 HA3 GLY B 16 3.462 -5.301 -11.791 1.00 2.15 H new TER 512 GLY B 16