USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 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 -109:sc= -18.7! USER MOD Set 1.2: B 9 CYS SG : rot -158:sc= -31.8! USER MOD Single : A 1 VAL N :NH3+ 152:sc= -0.0583 (180deg=-0.392) 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 143:sc= -0.042 (180deg=-0.328) 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 0.857 -1.010 -0.803 1.00 20.03 N ATOM 2 CA VAL A 1 1.789 -0.877 -1.916 1.00 73.43 C ATOM 3 C VAL A 1 3.011 -1.766 -1.719 1.00 25.34 C ATOM 4 O VAL A 1 3.490 -1.941 -0.598 1.00 74.43 O ATOM 5 CB VAL A 1 2.251 0.581 -2.091 1.00 10.43 C ATOM 6 CG1 VAL A 1 2.863 1.106 -0.801 1.00 31.33 C ATOM 7 CG2 VAL A 1 3.238 0.693 -3.243 1.00 23.13 C ATOM 0 H1 VAL A 1 0.319 -0.127 -0.693 1.00 20.03 H new ATOM 0 H2 VAL A 1 0.201 -1.794 -0.992 1.00 20.03 H new ATOM 0 H3 VAL A 1 1.386 -1.204 0.071 1.00 20.03 H new ATOM 0 HA VAL A 1 1.256 -1.191 -2.813 1.00 73.43 H new ATOM 0 HB VAL A 1 1.381 1.193 -2.328 1.00 10.43 H new ATOM 0 HG11 VAL A 1 3.184 2.138 -0.944 1.00 31.33 H new ATOM 0 HG12 VAL A 1 2.122 1.064 -0.003 1.00 31.33 H new ATOM 0 HG13 VAL A 1 3.723 0.493 -0.530 1.00 31.33 H new ATOM 0 HG21 VAL A 1 3.554 1.731 -3.352 1.00 23.13 H new ATOM 0 HG22 VAL A 1 4.108 0.069 -3.039 1.00 23.13 H new ATOM 0 HG23 VAL A 1 2.761 0.360 -4.165 1.00 23.13 H new ATOM 17 N ALA A 2 3.513 -2.325 -2.815 1.00 24.10 N ATOM 18 CA ALA A 2 4.682 -3.194 -2.763 1.00 25.12 C ATOM 19 C ALA A 2 5.879 -2.469 -2.157 1.00 43.44 C ATOM 20 O ALA A 2 6.227 -2.686 -0.997 1.00 30.34 O ATOM 21 CB ALA A 2 5.022 -3.706 -4.155 1.00 21.13 C ATOM 0 H ALA A 2 3.128 -2.191 -3.750 1.00 24.10 H new ATOM 0 HA ALA A 2 4.443 -4.044 -2.124 1.00 25.12 H new ATOM 0 HB1 ALA A 2 5.897 -4.354 -4.101 1.00 21.13 H new ATOM 0 HB2 ALA A 2 4.178 -4.270 -4.552 1.00 21.13 H new ATOM 0 HB3 ALA A 2 5.235 -2.862 -4.811 1.00 21.13 H new ATOM 27 N ARG A 3 6.506 -1.606 -2.951 1.00 60.30 N ATOM 28 CA ARG A 3 7.665 -0.850 -2.493 1.00 65.22 C ATOM 29 C ARG A 3 7.390 0.650 -2.541 1.00 33.21 C ATOM 30 O ARG A 3 6.428 1.134 -1.946 1.00 75.33 O ATOM 31 CB ARG A 3 8.888 -1.182 -3.350 1.00 64.23 C ATOM 32 CG ARG A 3 9.414 -2.593 -3.141 1.00 73.02 C ATOM 33 CD ARG A 3 8.477 -3.631 -3.740 1.00 43.32 C ATOM 34 NE ARG A 3 9.187 -4.843 -4.139 1.00 21.20 N ATOM 35 CZ ARG A 3 8.626 -6.047 -4.171 1.00 14.44 C ATOM 36 NH1 ARG A 3 7.353 -6.197 -3.829 1.00 64.43 N ATOM 37 NH2 ARG A 3 9.337 -7.102 -4.545 1.00 21.43 N ATOM 0 H ARG A 3 6.230 -1.414 -3.914 1.00 60.30 H new ATOM 0 HA ARG A 3 7.866 -1.132 -1.460 1.00 65.22 H new ATOM 0 HB2 ARG A 3 8.631 -1.051 -4.401 1.00 64.23 H new ATOM 0 HB3 ARG A 3 9.682 -0.470 -3.125 1.00 64.23 H new ATOM 0 HG2 ARG A 3 10.400 -2.686 -3.596 1.00 73.02 H new ATOM 0 HG3 ARG A 3 9.535 -2.783 -2.075 1.00 73.02 H new ATOM 0 HD2 ARG A 3 7.706 -3.885 -3.013 1.00 43.32 H new ATOM 0 HD3 ARG A 3 7.971 -3.205 -4.606 1.00 43.32 H new ATOM 0 HE ARG A 3 10.167 -4.761 -4.408 1.00 21.20 H new ATOM 0 HH11 ARG A 3 6.803 -5.387 -3.541 1.00 64.43 H new ATOM 0 HH12 ARG A 3 6.924 -7.122 -3.854 1.00 64.43 H new ATOM 0 HH21 ARG A 3 10.316 -6.990 -4.809 1.00 21.43 H new ATOM 0 HH22 ARG A 3 8.905 -8.026 -4.569 1.00 21.43 H new ATOM 51 N GLY A 4 8.242 1.381 -3.253 1.00 22.02 N ATOM 52 CA GLY A 4 8.074 2.818 -3.364 1.00 53.03 C ATOM 53 C GLY A 4 8.157 3.302 -4.798 1.00 50.04 C ATOM 54 O GLY A 4 9.246 3.564 -5.309 1.00 53.54 O ATOM 0 H GLY A 4 9.046 1.004 -3.755 1.00 22.02 H new ATOM 0 HA2 GLY A 4 7.109 3.102 -2.943 1.00 53.03 H new ATOM 0 HA3 GLY A 4 8.840 3.317 -2.770 1.00 53.03 H new ATOM 58 N TRP A 5 7.005 3.419 -5.449 1.00 63.12 N ATOM 59 CA TRP A 5 6.953 3.873 -6.834 1.00 60.03 C ATOM 60 C TRP A 5 7.463 5.305 -6.957 1.00 73.44 C ATOM 61 O TRP A 5 6.701 6.261 -6.810 1.00 71.42 O ATOM 62 CB TRP A 5 5.523 3.780 -7.369 1.00 62.34 C ATOM 63 CG TRP A 5 4.809 2.533 -6.942 1.00 0.31 C ATOM 64 CD1 TRP A 5 3.488 2.417 -6.615 1.00 22.32 C ATOM 65 CD2 TRP A 5 5.378 1.228 -6.794 1.00 32.23 C ATOM 66 NE1 TRP A 5 3.202 1.117 -6.272 1.00 13.30 N ATOM 67 CE2 TRP A 5 4.344 0.368 -6.375 1.00 32.05 C ATOM 68 CE3 TRP A 5 6.659 0.701 -6.976 1.00 62.02 C ATOM 69 CZ2 TRP A 5 4.554 -0.987 -6.135 1.00 23.33 C ATOM 70 CZ3 TRP A 5 6.867 -0.644 -6.737 1.00 74.24 C ATOM 71 CH2 TRP A 5 5.819 -1.476 -6.321 1.00 73.22 C ATOM 0 H TRP A 5 6.095 3.206 -5.040 1.00 63.12 H new ATOM 0 HA TRP A 5 7.598 3.225 -7.427 1.00 60.03 H new ATOM 0 HB2 TRP A 5 4.958 4.648 -7.029 1.00 62.34 H new ATOM 0 HB3 TRP A 5 5.547 3.822 -8.458 1.00 62.34 H new ATOM 0 HD1 TRP A 5 2.774 3.227 -6.625 1.00 22.32 H new ATOM 0 HE1 TRP A 5 2.287 0.767 -5.987 1.00 13.30 H new ATOM 0 HE3 TRP A 5 7.473 1.334 -7.298 1.00 62.02 H new ATOM 0 HZ2 TRP A 5 3.748 -1.630 -5.814 1.00 23.33 H new ATOM 0 HZ3 TRP A 5 7.854 -1.061 -6.873 1.00 74.24 H new ATOM 0 HH2 TRP A 5 6.013 -2.524 -6.144 1.00 73.22 H new ATOM 82 N LYS A 6 8.756 5.447 -7.228 1.00 73.53 N ATOM 83 CA LYS A 6 9.368 6.762 -7.373 1.00 72.00 C ATOM 84 C LYS A 6 9.882 6.970 -8.794 1.00 72.41 C ATOM 85 O LYS A 6 9.114 6.921 -9.755 1.00 70.52 O ATOM 86 CB LYS A 6 10.516 6.925 -6.375 1.00 3.31 C ATOM 87 CG LYS A 6 10.087 6.782 -4.925 1.00 1.50 C ATOM 88 CD LYS A 6 10.915 5.736 -4.199 1.00 20.51 C ATOM 89 CE LYS A 6 12.207 6.326 -3.655 1.00 31.34 C ATOM 90 NZ LYS A 6 12.201 6.396 -2.167 1.00 51.52 N ATOM 0 H LYS A 6 9.401 4.666 -7.352 1.00 73.53 H new ATOM 0 HA LYS A 6 8.606 7.514 -7.168 1.00 72.00 H new ATOM 0 HB2 LYS A 6 11.284 6.182 -6.593 1.00 3.31 H new ATOM 0 HB3 LYS A 6 10.972 7.905 -6.515 1.00 3.31 H new ATOM 0 HG2 LYS A 6 10.187 7.742 -4.419 1.00 1.50 H new ATOM 0 HG3 LYS A 6 9.033 6.507 -4.882 1.00 1.50 H new ATOM 0 HD2 LYS A 6 10.333 5.315 -3.379 1.00 20.51 H new ATOM 0 HD3 LYS A 6 11.146 4.917 -4.880 1.00 20.51 H new ATOM 0 HE2 LYS A 6 13.051 5.721 -3.987 1.00 31.34 H new ATOM 0 HE3 LYS A 6 12.351 7.326 -4.065 1.00 31.34 H new ATOM 0 HZ1 LYS A 6 13.098 6.804 -1.835 1.00 51.52 H new ATOM 0 HZ2 LYS A 6 11.411 6.994 -1.851 1.00 51.52 H new ATOM 0 HZ3 LYS A 6 12.089 5.439 -1.775 1.00 51.52 H new ATOM 104 N ARG A 7 11.185 7.200 -8.919 1.00 54.25 N ATOM 105 CA ARG A 7 11.800 7.415 -10.223 1.00 65.34 C ATOM 106 C ARG A 7 12.061 6.086 -10.927 1.00 11.01 C ATOM 107 O ARG A 7 11.257 5.635 -11.744 1.00 3.33 O ATOM 108 CB ARG A 7 13.111 8.189 -10.071 1.00 21.21 C ATOM 109 CG ARG A 7 12.918 9.687 -9.899 1.00 75.44 C ATOM 110 CD ARG A 7 14.162 10.347 -9.326 1.00 55.01 C ATOM 111 NE ARG A 7 15.245 10.414 -10.303 1.00 2.12 N ATOM 112 CZ ARG A 7 15.251 11.247 -11.338 1.00 24.04 C ATOM 113 NH1 ARG A 7 14.237 12.079 -11.529 1.00 2.30 N ATOM 114 NH2 ARG A 7 16.274 11.249 -12.183 1.00 71.23 N ATOM 0 H ARG A 7 11.835 7.242 -8.134 1.00 54.25 H new ATOM 0 HA ARG A 7 11.109 7.999 -10.831 1.00 65.34 H new ATOM 0 HB2 ARG A 7 13.655 7.800 -9.210 1.00 21.21 H new ATOM 0 HB3 ARG A 7 13.733 8.010 -10.948 1.00 21.21 H new ATOM 0 HG2 ARG A 7 12.677 10.137 -10.862 1.00 75.44 H new ATOM 0 HG3 ARG A 7 12.070 9.872 -9.240 1.00 75.44 H new ATOM 0 HD2 ARG A 7 13.915 11.354 -8.988 1.00 55.01 H new ATOM 0 HD3 ARG A 7 14.497 9.790 -8.451 1.00 55.01 H new ATOM 0 HE ARG A 7 16.041 9.787 -10.184 1.00 2.12 H new ATOM 0 HH11 ARG A 7 13.450 12.081 -10.881 1.00 2.30 H new ATOM 0 HH12 ARG A 7 14.244 12.718 -12.324 1.00 2.30 H new ATOM 0 HH21 ARG A 7 17.056 10.611 -12.038 1.00 71.23 H new ATOM 0 HH22 ARG A 7 16.278 11.889 -12.977 1.00 71.23 H new ATOM 128 N LYS A 8 13.190 5.463 -10.605 1.00 14.31 N ATOM 129 CA LYS A 8 13.557 4.186 -11.204 1.00 61.13 C ATOM 130 C LYS A 8 12.598 3.084 -10.767 1.00 73.32 C ATOM 131 O LYS A 8 12.899 2.309 -9.859 1.00 32.50 O ATOM 132 CB LYS A 8 14.990 3.812 -10.819 1.00 21.21 C ATOM 133 CG LYS A 8 15.262 3.901 -9.327 1.00 73.02 C ATOM 134 CD LYS A 8 15.538 2.532 -8.728 1.00 14.22 C ATOM 135 CE LYS A 8 17.030 2.253 -8.640 1.00 21.30 C ATOM 136 NZ LYS A 8 17.561 1.672 -9.904 1.00 40.03 N ATOM 0 H LYS A 8 13.867 5.823 -9.932 1.00 14.31 H new ATOM 0 HA LYS A 8 13.493 4.290 -12.287 1.00 61.13 H new ATOM 0 HB2 LYS A 8 15.195 2.796 -11.157 1.00 21.21 H new ATOM 0 HB3 LYS A 8 15.682 4.469 -11.346 1.00 21.21 H new ATOM 0 HG2 LYS A 8 16.116 4.555 -9.150 1.00 73.02 H new ATOM 0 HG3 LYS A 8 14.405 4.352 -8.826 1.00 73.02 H new ATOM 0 HD2 LYS A 8 15.096 2.473 -7.733 1.00 14.22 H new ATOM 0 HD3 LYS A 8 15.058 1.764 -9.335 1.00 14.22 H new ATOM 0 HE2 LYS A 8 17.560 3.179 -8.415 1.00 21.30 H new ATOM 0 HE3 LYS A 8 17.223 1.567 -7.816 1.00 21.30 H new ATOM 0 HZ1 LYS A 8 18.581 1.496 -9.804 1.00 40.03 H new ATOM 0 HZ2 LYS A 8 17.073 0.776 -10.106 1.00 40.03 H new ATOM 0 HZ3 LYS A 8 17.400 2.338 -10.687 1.00 40.03 H new ATOM 150 N CYS A 9 11.442 3.018 -11.420 1.00 1.21 N ATOM 151 CA CYS A 9 10.438 2.010 -11.100 1.00 5.42 C ATOM 152 C CYS A 9 11.093 0.661 -10.820 1.00 21.34 C ATOM 153 O CYS A 9 11.502 -0.060 -11.730 1.00 74.22 O ATOM 154 CB CYS A 9 9.437 1.875 -12.248 1.00 51.15 C ATOM 155 SG CYS A 9 10.180 2.028 -13.905 1.00 31.23 S ATOM 0 H CYS A 9 11.177 3.651 -12.175 1.00 1.21 H new ATOM 0 HA CYS A 9 9.909 2.331 -10.202 1.00 5.42 H new ATOM 0 HB2 CYS A 9 8.941 0.907 -12.172 1.00 51.15 H new ATOM 0 HB3 CYS A 9 8.666 2.637 -12.135 1.00 51.15 H new ATOM 0 HG CYS A 9 9.813 3.153 -14.443 1.00 31.23 H new ATOM 160 N PRO A 10 11.196 0.309 -9.529 1.00 55.52 N ATOM 161 CA PRO A 10 11.799 -0.955 -9.098 1.00 74.35 C ATOM 162 C PRO A 10 10.938 -2.161 -9.460 1.00 15.23 C ATOM 163 O PRO A 10 11.403 -3.096 -10.112 1.00 50.05 O ATOM 164 CB PRO A 10 11.895 -0.803 -7.578 1.00 53.04 C ATOM 165 CG PRO A 10 10.825 0.173 -7.227 1.00 61.31 C ATOM 166 CD PRO A 10 10.730 1.120 -8.391 1.00 71.22 C ATOM 0 HA PRO A 10 12.758 -1.135 -9.583 1.00 74.35 H new ATOM 0 HB2 PRO A 10 11.741 -1.757 -7.074 1.00 53.04 H new ATOM 0 HB3 PRO A 10 12.877 -0.439 -7.278 1.00 53.04 H new ATOM 0 HG2 PRO A 10 9.875 -0.334 -7.058 1.00 61.31 H new ATOM 0 HG3 PRO A 10 11.070 0.707 -6.309 1.00 61.31 H new ATOM 0 HD2 PRO A 10 9.709 1.473 -8.540 1.00 71.22 H new ATOM 0 HD3 PRO A 10 11.354 2.002 -8.244 1.00 71.22 H new ATOM 174 N LEU A 11 9.680 -2.133 -9.032 1.00 62.11 N ATOM 175 CA LEU A 11 8.753 -3.224 -9.311 1.00 71.22 C ATOM 176 C LEU A 11 7.860 -2.889 -10.502 1.00 23.12 C ATOM 177 O LEU A 11 7.950 -3.520 -11.555 1.00 75.31 O ATOM 178 CB LEU A 11 7.893 -3.516 -8.080 1.00 74.14 C ATOM 179 CG LEU A 11 7.235 -4.896 -8.033 1.00 5.13 C ATOM 180 CD1 LEU A 11 6.680 -5.175 -6.645 1.00 11.12 C ATOM 181 CD2 LEU A 11 6.136 -5.000 -9.080 1.00 3.40 C ATOM 0 H LEU A 11 9.279 -1.367 -8.491 1.00 62.11 H new ATOM 0 HA LEU A 11 9.337 -4.111 -9.557 1.00 71.22 H new ATOM 0 HB2 LEU A 11 8.514 -3.401 -7.192 1.00 74.14 H new ATOM 0 HB3 LEU A 11 7.110 -2.760 -8.021 1.00 74.14 H new ATOM 0 HG LEU A 11 7.993 -5.646 -8.257 1.00 5.13 H new ATOM 0 HD11 LEU A 11 6.216 -6.161 -6.630 1.00 11.12 H new ATOM 0 HD12 LEU A 11 7.490 -5.144 -5.916 1.00 11.12 H new ATOM 0 HD13 LEU A 11 5.936 -4.420 -6.392 1.00 11.12 H new ATOM 0 HD21 LEU A 11 5.680 -5.989 -9.031 1.00 3.40 H new ATOM 0 HD22 LEU A 11 5.378 -4.241 -8.888 1.00 3.40 H new ATOM 0 HD23 LEU A 11 6.562 -4.845 -10.071 1.00 3.40 H new ATOM 193 N PHE A 12 7.001 -1.890 -10.328 1.00 20.41 N ATOM 194 CA PHE A 12 6.093 -1.470 -11.388 1.00 73.04 C ATOM 195 C PHE A 12 6.868 -0.929 -12.586 1.00 1.52 C ATOM 196 O PHE A 12 6.959 0.282 -12.784 1.00 43.23 O ATOM 197 CB PHE A 12 5.126 -0.404 -10.868 1.00 71.23 C ATOM 198 CG PHE A 12 5.743 0.960 -10.755 1.00 11.54 C ATOM 199 CD1 PHE A 12 6.868 1.164 -9.972 1.00 31.53 C ATOM 200 CD2 PHE A 12 5.198 2.040 -11.431 1.00 3.10 C ATOM 201 CE1 PHE A 12 7.437 2.418 -9.865 1.00 0.52 C ATOM 202 CE2 PHE A 12 5.763 3.297 -11.328 1.00 43.42 C ATOM 203 CZ PHE A 12 6.885 3.486 -10.545 1.00 11.42 C ATOM 0 H PHE A 12 6.915 -1.357 -9.463 1.00 20.41 H new ATOM 0 HA PHE A 12 5.523 -2.342 -11.710 1.00 73.04 H new ATOM 0 HB2 PHE A 12 4.265 -0.350 -11.534 1.00 71.23 H new ATOM 0 HB3 PHE A 12 4.754 -0.708 -9.890 1.00 71.23 H new ATOM 0 HD1 PHE A 12 7.305 0.333 -9.439 1.00 31.53 H new ATOM 0 HD2 PHE A 12 4.321 1.898 -12.046 1.00 3.10 H new ATOM 0 HE1 PHE A 12 8.313 2.563 -9.250 1.00 0.52 H new ATOM 0 HE2 PHE A 12 5.328 4.131 -11.859 1.00 43.42 H new ATOM 0 HZ PHE A 12 7.330 4.467 -10.465 1.00 11.42 H new ATOM 213 N GLY A 13 7.426 -1.836 -13.381 1.00 44.14 N ATOM 214 CA GLY A 13 8.188 -1.431 -14.549 1.00 34.12 C ATOM 215 C GLY A 13 7.722 -2.125 -15.814 1.00 3.04 C ATOM 216 O GLY A 13 6.621 -1.871 -16.301 1.00 53.23 O ATOM 0 H GLY A 13 7.364 -2.844 -13.238 1.00 44.14 H new ATOM 0 HA2 GLY A 13 8.104 -0.352 -14.678 1.00 34.12 H new ATOM 0 HA3 GLY A 13 9.243 -1.651 -14.385 1.00 34.12 H new ATOM 220 N LYS A 14 8.564 -3.003 -16.348 1.00 74.44 N ATOM 221 CA LYS A 14 8.234 -3.737 -17.565 1.00 10.42 C ATOM 222 C LYS A 14 6.802 -4.259 -17.514 1.00 53.21 C ATOM 223 O LYS A 14 6.159 -4.437 -18.548 1.00 14.44 O ATOM 224 CB LYS A 14 9.206 -4.902 -17.762 1.00 3.12 C ATOM 225 CG LYS A 14 10.662 -4.474 -17.835 1.00 53.24 C ATOM 226 CD LYS A 14 10.893 -3.474 -18.956 1.00 11.11 C ATOM 227 CE LYS A 14 12.186 -3.763 -19.703 1.00 0.22 C ATOM 228 NZ LYS A 14 11.931 -4.225 -21.095 1.00 51.43 N ATOM 0 H LYS A 14 9.480 -3.224 -15.958 1.00 74.44 H new ATOM 0 HA LYS A 14 8.322 -3.052 -18.408 1.00 10.42 H new ATOM 0 HB2 LYS A 14 9.084 -5.608 -16.941 1.00 3.12 H new ATOM 0 HB3 LYS A 14 8.945 -5.431 -18.679 1.00 3.12 H new ATOM 0 HG2 LYS A 14 10.960 -4.032 -16.884 1.00 53.24 H new ATOM 0 HG3 LYS A 14 11.292 -5.349 -17.991 1.00 53.24 H new ATOM 0 HD2 LYS A 14 10.055 -3.506 -19.652 1.00 11.11 H new ATOM 0 HD3 LYS A 14 10.927 -2.465 -18.544 1.00 11.11 H new ATOM 0 HE2 LYS A 14 12.801 -2.863 -19.726 1.00 0.22 H new ATOM 0 HE3 LYS A 14 12.753 -4.523 -19.166 1.00 0.22 H new ATOM 0 HZ1 LYS A 14 12.837 -4.411 -21.570 1.00 51.43 H new ATOM 0 HZ2 LYS A 14 11.366 -5.098 -21.073 1.00 51.43 H new ATOM 0 HZ3 LYS A 14 11.412 -3.489 -21.615 1.00 51.43 H new ATOM 242 N GLY A 15 6.307 -4.502 -16.304 1.00 4.42 N ATOM 243 CA GLY A 15 4.954 -5.000 -16.141 1.00 50.45 C ATOM 244 C GLY A 15 3.968 -4.312 -17.066 1.00 25.15 C ATOM 245 O GLY A 15 2.973 -4.907 -17.475 1.00 55.45 O ATOM 0 H GLY A 15 6.820 -4.363 -15.433 1.00 4.42 H new ATOM 0 HA2 GLY A 15 4.939 -6.073 -16.332 1.00 50.45 H new ATOM 0 HA3 GLY A 15 4.639 -4.856 -15.107 1.00 50.45 H new ATOM 249 N GLY A 16 4.246 -3.054 -17.394 1.00 13.45 N ATOM 250 CA GLY A 16 3.365 -2.305 -18.271 1.00 45.32 C ATOM 251 C GLY A 16 3.795 -2.378 -19.723 1.00 51.20 C ATOM 252 O GLY A 16 4.939 -2.072 -20.055 1.00 42.23 O ATOM 0 H GLY A 16 5.065 -2.540 -17.068 1.00 13.45 H new ATOM 0 HA2 GLY A 16 2.350 -2.690 -18.176 1.00 45.32 H new ATOM 0 HA3 GLY A 16 3.342 -1.262 -17.954 1.00 45.32 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 10.092 -2.131 -28.380 1.00 11.33 N ATOM 258 CA VAL B 1 9.852 -1.232 -27.257 1.00 43.53 C ATOM 259 C VAL B 1 8.833 -0.158 -27.621 1.00 33.11 C ATOM 260 O VAL B 1 8.777 0.298 -28.763 1.00 33.15 O ATOM 261 CB VAL B 1 11.155 -0.551 -26.795 1.00 73.51 C ATOM 262 CG1 VAL B 1 11.796 0.212 -27.944 1.00 73.32 C ATOM 263 CG2 VAL B 1 10.884 0.371 -25.616 1.00 42.45 C ATOM 0 H1 VAL B 1 11.097 -2.399 -28.401 1.00 11.33 H new ATOM 0 H2 VAL B 1 9.508 -2.985 -28.272 1.00 11.33 H new ATOM 0 H3 VAL B 1 9.843 -1.651 -29.268 1.00 11.33 H new ATOM 0 HA VAL B 1 9.459 -1.841 -26.442 1.00 43.53 H new ATOM 0 HB VAL B 1 11.853 -1.323 -26.470 1.00 73.51 H new ATOM 0 HG11 VAL B 1 12.715 0.686 -27.598 1.00 73.32 H new ATOM 0 HG12 VAL B 1 12.027 -0.478 -28.755 1.00 73.32 H new ATOM 0 HG13 VAL B 1 11.106 0.976 -28.303 1.00 73.32 H new ATOM 0 HG21 VAL B 1 11.815 0.844 -25.302 1.00 42.45 H new ATOM 0 HG22 VAL B 1 10.169 1.139 -25.911 1.00 42.45 H new ATOM 0 HG23 VAL B 1 10.474 -0.208 -24.788 1.00 42.45 H new ATOM 273 N ALA B 2 8.028 0.242 -26.642 1.00 31.32 N ATOM 274 CA ALA B 2 7.011 1.264 -26.858 1.00 24.22 C ATOM 275 C ALA B 2 7.638 2.651 -26.950 1.00 64.20 C ATOM 276 O ALA B 2 7.634 3.275 -28.011 1.00 54.20 O ATOM 277 CB ALA B 2 5.977 1.223 -25.743 1.00 11.21 C ATOM 0 H ALA B 2 8.060 -0.126 -25.691 1.00 31.32 H new ATOM 0 HA ALA B 2 6.516 1.054 -27.806 1.00 24.22 H new ATOM 0 HB1 ALA B 2 5.224 1.991 -25.917 1.00 11.21 H new ATOM 0 HB2 ALA B 2 5.499 0.244 -25.726 1.00 11.21 H new ATOM 0 HB3 ALA B 2 6.466 1.405 -24.786 1.00 11.21 H new ATOM 283 N ARG B 3 8.177 3.127 -25.832 1.00 53.32 N ATOM 284 CA ARG B 3 8.806 4.442 -25.787 1.00 71.31 C ATOM 285 C ARG B 3 10.272 4.329 -25.379 1.00 71.03 C ATOM 286 O ARG B 3 11.059 3.648 -26.035 1.00 72.24 O ATOM 287 CB ARG B 3 8.062 5.353 -24.809 1.00 41.34 C ATOM 288 CG ARG B 3 6.595 5.548 -25.155 1.00 12.54 C ATOM 289 CD ARG B 3 5.799 6.029 -23.951 1.00 75.33 C ATOM 290 NE ARG B 3 4.359 5.902 -24.162 1.00 31.13 N ATOM 291 CZ ARG B 3 3.449 6.478 -23.384 1.00 30.42 C ATOM 292 NH1 ARG B 3 3.828 7.216 -22.350 1.00 14.21 N ATOM 293 NH2 ARG B 3 2.157 6.315 -23.640 1.00 2.52 N ATOM 0 H ARG B 3 8.191 2.622 -24.946 1.00 53.32 H new ATOM 0 HA ARG B 3 8.757 4.876 -26.786 1.00 71.31 H new ATOM 0 HB2 ARG B 3 8.137 4.934 -23.806 1.00 41.34 H new ATOM 0 HB3 ARG B 3 8.554 6.326 -24.786 1.00 41.34 H new ATOM 0 HG2 ARG B 3 6.504 6.271 -25.966 1.00 12.54 H new ATOM 0 HG3 ARG B 3 6.177 4.609 -25.517 1.00 12.54 H new ATOM 0 HD2 ARG B 3 6.089 5.454 -23.071 1.00 75.33 H new ATOM 0 HD3 ARG B 3 6.045 7.071 -23.746 1.00 75.33 H new ATOM 0 HE ARG B 3 4.035 5.341 -24.949 1.00 31.13 H new ATOM 0 HH11 ARG B 3 4.820 7.343 -22.150 1.00 14.21 H new ATOM 0 HH12 ARG B 3 3.127 7.657 -21.754 1.00 14.21 H new ATOM 0 HH21 ARG B 3 1.862 5.747 -24.434 1.00 2.52 H new ATOM 0 HH22 ARG B 3 1.459 6.757 -23.042 1.00 2.52 H new ATOM 307 N GLY B 4 10.632 5.003 -24.291 1.00 71.01 N ATOM 308 CA GLY B 4 12.002 4.966 -23.815 1.00 63.10 C ATOM 309 C GLY B 4 12.094 4.646 -22.336 1.00 52.31 C ATOM 310 O GLY B 4 12.221 5.547 -21.507 1.00 24.24 O ATOM 0 H GLY B 4 9.999 5.574 -23.731 1.00 71.01 H new ATOM 0 HA2 GLY B 4 12.560 4.219 -24.380 1.00 63.10 H new ATOM 0 HA3 GLY B 4 12.476 5.929 -24.005 1.00 63.10 H new ATOM 314 N TRP B 5 12.027 3.362 -22.005 1.00 61.12 N ATOM 315 CA TRP B 5 12.102 2.926 -20.615 1.00 53.22 C ATOM 316 C TRP B 5 13.336 3.502 -19.930 1.00 14.35 C ATOM 317 O TRP B 5 14.441 2.979 -20.076 1.00 14.44 O ATOM 318 CB TRP B 5 12.127 1.399 -20.539 1.00 31.23 C ATOM 319 CG TRP B 5 11.139 0.742 -21.455 1.00 21.22 C ATOM 320 CD1 TRP B 5 11.302 -0.436 -22.126 1.00 71.14 C ATOM 321 CD2 TRP B 5 9.837 1.227 -21.801 1.00 22.32 C ATOM 322 NE1 TRP B 5 10.179 -0.713 -22.869 1.00 45.32 N ATOM 323 CE2 TRP B 5 9.266 0.291 -22.686 1.00 1.50 C ATOM 324 CE3 TRP B 5 9.098 2.358 -21.448 1.00 15.44 C ATOM 325 CZ2 TRP B 5 7.992 0.456 -23.222 1.00 14.32 C ATOM 326 CZ3 TRP B 5 7.833 2.521 -21.980 1.00 71.35 C ATOM 327 CH2 TRP B 5 7.290 1.574 -22.859 1.00 31.41 C ATOM 0 H TRP B 5 11.921 2.604 -22.680 1.00 61.12 H new ATOM 0 HA TRP B 5 11.217 3.294 -20.096 1.00 53.22 H new ATOM 0 HB2 TRP B 5 13.129 1.047 -20.784 1.00 31.23 H new ATOM 0 HB3 TRP B 5 11.922 1.090 -19.514 1.00 31.23 H new ATOM 0 HD1 TRP B 5 12.183 -1.058 -22.080 1.00 71.14 H new ATOM 0 HE1 TRP B 5 10.047 -1.533 -23.461 1.00 45.32 H new ATOM 0 HE3 TRP B 5 9.508 3.093 -20.771 1.00 15.44 H new ATOM 0 HZ2 TRP B 5 7.572 -0.272 -23.900 1.00 14.32 H new ATOM 0 HZ3 TRP B 5 7.253 3.393 -21.714 1.00 71.35 H new ATOM 0 HH2 TRP B 5 6.298 1.729 -23.258 1.00 31.41 H new ATOM 338 N LYS B 6 13.141 4.582 -19.181 1.00 10.44 N ATOM 339 CA LYS B 6 14.238 5.229 -18.470 1.00 53.44 C ATOM 340 C LYS B 6 13.972 5.258 -16.969 1.00 15.52 C ATOM 341 O LYS B 6 13.790 4.215 -16.341 1.00 1.22 O ATOM 342 CB LYS B 6 14.440 6.654 -18.991 1.00 54.30 C ATOM 343 CG LYS B 6 13.156 7.463 -19.064 1.00 32.30 C ATOM 344 CD LYS B 6 12.971 8.094 -20.434 1.00 22.41 C ATOM 345 CE LYS B 6 11.499 8.256 -20.779 1.00 72.52 C ATOM 346 NZ LYS B 6 11.303 8.647 -22.203 1.00 34.34 N ATOM 0 H LYS B 6 12.233 5.028 -19.050 1.00 10.44 H new ATOM 0 HA LYS B 6 15.145 4.651 -18.649 1.00 53.44 H new ATOM 0 HB2 LYS B 6 15.149 7.171 -18.344 1.00 54.30 H new ATOM 0 HB3 LYS B 6 14.888 6.609 -19.984 1.00 54.30 H new ATOM 0 HG2 LYS B 6 12.306 6.818 -18.842 1.00 32.30 H new ATOM 0 HG3 LYS B 6 13.173 8.243 -18.303 1.00 32.30 H new ATOM 0 HD2 LYS B 6 13.460 9.068 -20.456 1.00 22.41 H new ATOM 0 HD3 LYS B 6 13.457 7.476 -21.189 1.00 22.41 H new ATOM 0 HE2 LYS B 6 10.975 7.320 -20.584 1.00 72.52 H new ATOM 0 HE3 LYS B 6 11.055 9.011 -20.131 1.00 72.52 H new ATOM 0 HZ1 LYS B 6 10.287 8.747 -22.399 1.00 34.34 H new ATOM 0 HZ2 LYS B 6 11.781 9.553 -22.383 1.00 34.34 H new ATOM 0 HZ3 LYS B 6 11.704 7.914 -22.823 1.00 34.34 H new ATOM 360 N ARG B 7 13.948 6.459 -16.400 1.00 2.23 N ATOM 361 CA ARG B 7 13.704 6.623 -14.972 1.00 13.42 C ATOM 362 C ARG B 7 12.207 6.623 -14.673 1.00 24.31 C ATOM 363 O ARG B 7 11.643 5.604 -14.272 1.00 45.13 O ATOM 364 CB ARG B 7 14.334 7.924 -14.471 1.00 1.11 C ATOM 365 CG ARG B 7 15.852 7.881 -14.410 1.00 42.31 C ATOM 366 CD ARG B 7 16.477 8.480 -15.660 1.00 51.35 C ATOM 367 NE ARG B 7 17.909 8.205 -15.743 1.00 33.22 N ATOM 368 CZ ARG B 7 18.656 8.506 -16.799 1.00 53.40 C ATOM 369 NH1 ARG B 7 18.109 9.091 -17.856 1.00 63.44 N ATOM 370 NH2 ARG B 7 19.952 8.224 -16.799 1.00 2.13 N ATOM 0 H ARG B 7 14.095 7.332 -16.906 1.00 2.23 H new ATOM 0 HA ARG B 7 14.162 5.782 -14.452 1.00 13.42 H new ATOM 0 HB2 ARG B 7 14.028 8.741 -15.124 1.00 1.11 H new ATOM 0 HB3 ARG B 7 13.945 8.147 -13.478 1.00 1.11 H new ATOM 0 HG2 ARG B 7 16.198 8.427 -13.532 1.00 42.31 H new ATOM 0 HG3 ARG B 7 16.184 6.849 -14.295 1.00 42.31 H new ATOM 0 HD2 ARG B 7 15.979 8.078 -16.542 1.00 51.35 H new ATOM 0 HD3 ARG B 7 16.314 9.558 -15.666 1.00 51.35 H new ATOM 0 HE ARG B 7 18.360 7.757 -14.946 1.00 33.22 H new ATOM 0 HH11 ARG B 7 17.113 9.311 -17.859 1.00 63.44 H new ATOM 0 HH12 ARG B 7 18.684 9.321 -18.666 1.00 63.44 H new ATOM 0 HH21 ARG B 7 20.376 7.775 -15.987 1.00 2.13 H new ATOM 0 HH22 ARG B 7 20.524 8.456 -17.611 1.00 2.13 H new ATOM 384 N LYS B 8 11.569 7.771 -14.870 1.00 5.52 N ATOM 385 CA LYS B 8 10.139 7.905 -14.623 1.00 33.24 C ATOM 386 C LYS B 8 9.338 7.019 -15.571 1.00 73.50 C ATOM 387 O LYS B 8 8.817 7.487 -16.584 1.00 64.10 O ATOM 388 CB LYS B 8 9.706 9.364 -14.784 1.00 23.03 C ATOM 389 CG LYS B 8 10.192 10.003 -16.073 1.00 11.51 C ATOM 390 CD LYS B 8 9.038 10.305 -17.015 1.00 24.01 C ATOM 391 CE LYS B 8 9.265 11.602 -17.776 1.00 14.53 C ATOM 392 NZ LYS B 8 10.205 11.420 -18.916 1.00 1.12 N ATOM 0 H LYS B 8 12.021 8.624 -15.201 1.00 5.52 H new ATOM 0 HA LYS B 8 9.942 7.585 -13.600 1.00 33.24 H new ATOM 0 HB2 LYS B 8 8.618 9.417 -14.749 1.00 23.03 H new ATOM 0 HB3 LYS B 8 10.080 9.941 -13.938 1.00 23.03 H new ATOM 0 HG2 LYS B 8 10.727 10.925 -15.844 1.00 11.51 H new ATOM 0 HG3 LYS B 8 10.901 9.337 -16.566 1.00 11.51 H new ATOM 0 HD2 LYS B 8 8.919 9.483 -17.721 1.00 24.01 H new ATOM 0 HD3 LYS B 8 8.111 10.373 -16.446 1.00 24.01 H new ATOM 0 HE2 LYS B 8 8.311 11.976 -18.148 1.00 14.53 H new ATOM 0 HE3 LYS B 8 9.660 12.357 -17.097 1.00 14.53 H new ATOM 0 HZ1 LYS B 8 10.333 12.327 -19.409 1.00 1.12 H new ATOM 0 HZ2 LYS B 8 11.123 11.087 -18.559 1.00 1.12 H new ATOM 0 HZ3 LYS B 8 9.816 10.718 -19.578 1.00 1.12 H new ATOM 406 N CYS B 9 9.241 5.736 -15.236 1.00 3.43 N ATOM 407 CA CYS B 9 8.503 4.784 -16.056 1.00 51.24 C ATOM 408 C CYS B 9 7.230 5.417 -16.611 1.00 72.12 C ATOM 409 O CYS B 9 6.212 5.526 -15.927 1.00 2.31 O ATOM 410 CB CYS B 9 8.153 3.539 -15.239 1.00 75.04 C ATOM 411 SG CYS B 9 9.601 2.622 -14.623 1.00 41.22 S ATOM 0 H CYS B 9 9.665 5.332 -14.401 1.00 3.43 H new ATOM 0 HA CYS B 9 9.138 4.494 -16.893 1.00 51.24 H new ATOM 0 HB2 CYS B 9 7.537 3.836 -14.390 1.00 75.04 H new ATOM 0 HB3 CYS B 9 7.549 2.872 -15.854 1.00 75.04 H new ATOM 0 HG CYS B 9 9.260 1.394 -14.365 1.00 41.22 H new ATOM 416 N PRO B 10 7.286 5.844 -17.882 1.00 24.55 N ATOM 417 CA PRO B 10 6.147 6.472 -18.557 1.00 60.40 C ATOM 418 C PRO B 10 5.021 5.482 -18.837 1.00 22.15 C ATOM 419 O PRO B 10 3.872 5.710 -18.458 1.00 14.23 O ATOM 420 CB PRO B 10 6.749 6.981 -19.869 1.00 23.11 C ATOM 421 CG PRO B 10 7.925 6.099 -20.114 1.00 33.03 C ATOM 422 CD PRO B 10 8.467 5.745 -18.756 1.00 53.24 C ATOM 0 HA PRO B 10 5.693 7.254 -17.948 1.00 60.40 H new ATOM 0 HB2 PRO B 10 6.030 6.917 -20.685 1.00 23.11 H new ATOM 0 HB3 PRO B 10 7.048 8.026 -19.788 1.00 23.11 H new ATOM 0 HG2 PRO B 10 7.634 5.204 -20.663 1.00 33.03 H new ATOM 0 HG3 PRO B 10 8.678 6.610 -20.714 1.00 33.03 H new ATOM 0 HD2 PRO B 10 8.894 4.742 -18.743 1.00 53.24 H new ATOM 0 HD3 PRO B 10 9.255 6.431 -18.446 1.00 53.24 H new ATOM 430 N LEU B 11 5.358 4.382 -19.501 1.00 23.02 N ATOM 431 CA LEU B 11 4.375 3.356 -19.831 1.00 21.12 C ATOM 432 C LEU B 11 4.539 2.135 -18.931 1.00 43.13 C ATOM 433 O LEU B 11 3.656 1.814 -18.136 1.00 22.41 O ATOM 434 CB LEU B 11 4.511 2.945 -21.298 1.00 32.41 C ATOM 435 CG LEU B 11 3.321 2.195 -21.898 1.00 15.42 C ATOM 436 CD1 LEU B 11 3.240 0.784 -21.336 1.00 41.34 C ATOM 437 CD2 LEU B 11 2.026 2.951 -21.633 1.00 44.14 C ATOM 0 H LEU B 11 6.305 4.178 -19.822 1.00 23.02 H new ATOM 0 HA LEU B 11 3.381 3.773 -19.668 1.00 21.12 H new ATOM 0 HB2 LEU B 11 4.686 3.843 -21.891 1.00 32.41 H new ATOM 0 HB3 LEU B 11 5.398 2.319 -21.398 1.00 32.41 H new ATOM 0 HG LEU B 11 3.466 2.127 -22.976 1.00 15.42 H new ATOM 0 HD11 LEU B 11 2.387 0.266 -21.775 1.00 41.34 H new ATOM 0 HD12 LEU B 11 4.156 0.244 -21.576 1.00 41.34 H new ATOM 0 HD13 LEU B 11 3.119 0.830 -20.254 1.00 41.34 H new ATOM 0 HD21 LEU B 11 1.190 2.403 -22.067 1.00 44.14 H new ATOM 0 HD22 LEU B 11 1.876 3.050 -20.558 1.00 44.14 H new ATOM 0 HD23 LEU B 11 2.084 3.941 -22.084 1.00 44.14 H new ATOM 449 N PHE B 12 5.676 1.459 -19.061 1.00 42.52 N ATOM 450 CA PHE B 12 5.957 0.274 -18.259 1.00 43.42 C ATOM 451 C PHE B 12 6.086 0.635 -16.782 1.00 50.22 C ATOM 452 O PHE B 12 7.188 0.679 -16.236 1.00 75.32 O ATOM 453 CB PHE B 12 7.241 -0.403 -18.744 1.00 53.11 C ATOM 454 CG PHE B 12 8.493 0.290 -18.288 1.00 61.50 C ATOM 455 CD1 PHE B 12 8.638 1.659 -18.440 1.00 50.02 C ATOM 456 CD2 PHE B 12 9.526 -0.429 -17.708 1.00 33.24 C ATOM 457 CE1 PHE B 12 9.789 2.299 -18.021 1.00 40.53 C ATOM 458 CE2 PHE B 12 10.679 0.206 -17.286 1.00 72.24 C ATOM 459 CZ PHE B 12 10.811 1.572 -17.445 1.00 22.55 C ATOM 0 H PHE B 12 6.418 1.712 -19.714 1.00 42.52 H new ATOM 0 HA PHE B 12 5.123 -0.418 -18.374 1.00 43.42 H new ATOM 0 HB2 PHE B 12 7.256 -1.433 -18.389 1.00 53.11 H new ATOM 0 HB3 PHE B 12 7.233 -0.442 -19.833 1.00 53.11 H new ATOM 0 HD1 PHE B 12 7.842 2.233 -18.891 1.00 50.02 H new ATOM 0 HD2 PHE B 12 9.429 -1.498 -17.584 1.00 33.24 H new ATOM 0 HE1 PHE B 12 9.889 3.367 -18.144 1.00 40.53 H new ATOM 0 HE2 PHE B 12 11.476 -0.365 -16.833 1.00 72.24 H new ATOM 0 HZ PHE B 12 11.712 2.070 -17.119 1.00 22.55 H new ATOM 469 N GLY B 13 4.950 0.894 -16.141 1.00 42.20 N ATOM 470 CA GLY B 13 4.957 1.249 -14.734 1.00 31.32 C ATOM 471 C GLY B 13 4.044 0.363 -13.908 1.00 44.45 C ATOM 472 O GLY B 13 4.360 -0.799 -13.651 1.00 50.45 O ATOM 0 H GLY B 13 4.026 0.864 -16.571 1.00 42.20 H new ATOM 0 HA2 GLY B 13 5.974 1.176 -14.349 1.00 31.32 H new ATOM 0 HA3 GLY B 13 4.648 2.288 -14.623 1.00 31.32 H new ATOM 476 N LYS B 14 2.910 0.913 -13.490 1.00 15.11 N ATOM 477 CA LYS B 14 1.947 0.167 -12.688 1.00 64.40 C ATOM 478 C LYS B 14 1.802 -1.262 -13.203 1.00 4.04 C ATOM 479 O LYS B 14 1.549 -2.187 -12.432 1.00 4.01 O ATOM 480 CB LYS B 14 0.587 0.867 -12.705 1.00 35.54 C ATOM 481 CG LYS B 14 0.578 2.197 -11.972 1.00 40.23 C ATOM 482 CD LYS B 14 0.398 3.361 -12.932 1.00 73.05 C ATOM 483 CE LYS B 14 0.899 4.664 -12.329 1.00 44.14 C ATOM 484 NZ LYS B 14 1.332 5.630 -13.377 1.00 62.21 N ATOM 0 H LYS B 14 2.634 1.874 -13.693 1.00 15.11 H new ATOM 0 HA LYS B 14 2.316 0.130 -11.663 1.00 64.40 H new ATOM 0 HB2 LYS B 14 0.285 1.030 -13.739 1.00 35.54 H new ATOM 0 HB3 LYS B 14 -0.157 0.209 -12.255 1.00 35.54 H new ATOM 0 HG2 LYS B 14 -0.227 2.203 -11.237 1.00 40.23 H new ATOM 0 HG3 LYS B 14 1.512 2.318 -11.423 1.00 40.23 H new ATOM 0 HD2 LYS B 14 0.936 3.157 -13.858 1.00 73.05 H new ATOM 0 HD3 LYS B 14 -0.656 3.460 -13.191 1.00 73.05 H new ATOM 0 HE2 LYS B 14 0.109 5.112 -11.726 1.00 44.14 H new ATOM 0 HE3 LYS B 14 1.733 4.457 -11.659 1.00 44.14 H new ATOM 0 HZ1 LYS B 14 1.667 6.505 -12.926 1.00 62.21 H new ATOM 0 HZ2 LYS B 14 2.103 5.213 -13.937 1.00 62.21 H new ATOM 0 HZ3 LYS B 14 0.529 5.848 -14.001 1.00 62.21 H new ATOM 498 N GLY B 15 1.966 -1.435 -14.511 1.00 12.31 N ATOM 499 CA GLY B 15 1.851 -2.754 -15.105 1.00 53.41 C ATOM 500 C GLY B 15 2.523 -3.826 -14.271 1.00 41.01 C ATOM 501 O GLY B 15 2.104 -4.983 -14.280 1.00 45.21 O ATOM 0 H GLY B 15 2.176 -0.685 -15.170 1.00 12.31 H new ATOM 0 HA2 GLY B 15 0.797 -3.002 -15.229 1.00 53.41 H new ATOM 0 HA3 GLY B 15 2.295 -2.741 -16.100 1.00 53.41 H new ATOM 505 N GLY B 16 3.571 -3.442 -13.548 1.00 51.44 N ATOM 506 CA GLY B 16 4.287 -4.391 -12.717 1.00 30.13 C ATOM 507 C GLY B 16 3.727 -4.467 -11.310 1.00 62.31 C ATOM 508 O GLY B 16 3.301 -3.458 -10.749 1.00 2.00 O ATOM 0 H GLY B 16 3.937 -2.490 -13.523 1.00 51.44 H new ATOM 0 HA2 GLY B 16 4.242 -5.378 -13.177 1.00 30.13 H new ATOM 0 HA3 GLY B 16 5.339 -4.108 -12.671 1.00 30.13 H new TER 512 GLY B 16