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 -153:sc= -24.1! USER MOD Set 1.2: B 9 CYS SG : rot -86:sc= -16.8! USER MOD Single : A 1 VAL N :NH3+ -140:sc= -0.234 (180deg=-0.631) 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+ -162:sc= -0.0778 (180deg=-0.491) 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 1.226 1.162 -0.995 1.00 44.23 N ATOM 2 CA VAL A 1 1.541 0.334 -2.154 1.00 14.53 C ATOM 3 C VAL A 1 2.628 -0.682 -1.824 1.00 71.01 C ATOM 4 O VAL A 1 3.012 -0.842 -0.666 1.00 42.50 O ATOM 5 CB VAL A 1 2.000 1.192 -3.348 1.00 73.32 C ATOM 6 CG1 VAL A 1 1.010 2.317 -3.610 1.00 31.30 C ATOM 7 CG2 VAL A 1 3.395 1.745 -3.101 1.00 61.13 C ATOM 0 H1 VAL A 1 0.199 1.317 -0.948 1.00 44.23 H new ATOM 0 H2 VAL A 1 1.544 0.682 -0.129 1.00 44.23 H new ATOM 0 H3 VAL A 1 1.710 2.078 -1.081 1.00 44.23 H new ATOM 0 HA VAL A 1 0.626 -0.193 -2.425 1.00 14.53 H new ATOM 0 HB VAL A 1 2.036 0.559 -4.235 1.00 73.32 H new ATOM 0 HG11 VAL A 1 1.351 2.912 -4.457 1.00 31.30 H new ATOM 0 HG12 VAL A 1 0.030 1.895 -3.834 1.00 31.30 H new ATOM 0 HG13 VAL A 1 0.938 2.951 -2.726 1.00 31.30 H new ATOM 0 HG21 VAL A 1 3.703 2.349 -3.955 1.00 61.13 H new ATOM 0 HG22 VAL A 1 3.388 2.363 -2.203 1.00 61.13 H new ATOM 0 HG23 VAL A 1 4.095 0.920 -2.968 1.00 61.13 H new ATOM 17 N ALA A 2 3.120 -1.367 -2.851 1.00 24.32 N ATOM 18 CA ALA A 2 4.166 -2.367 -2.671 1.00 32.11 C ATOM 19 C ALA A 2 5.410 -1.753 -2.039 1.00 1.41 C ATOM 20 O ALA A 2 5.704 -1.990 -0.867 1.00 44.03 O ATOM 21 CB ALA A 2 4.513 -3.014 -4.004 1.00 12.42 C ATOM 0 H ALA A 2 2.811 -1.248 -3.816 1.00 24.32 H new ATOM 0 HA ALA A 2 3.788 -3.134 -1.995 1.00 32.11 H new ATOM 0 HB1 ALA A 2 5.295 -3.758 -3.855 1.00 12.42 H new ATOM 0 HB2 ALA A 2 3.627 -3.497 -4.416 1.00 12.42 H new ATOM 0 HB3 ALA A 2 4.866 -2.251 -4.698 1.00 12.42 H new ATOM 27 N ARG A 3 6.137 -0.963 -2.822 1.00 44.12 N ATOM 28 CA ARG A 3 7.351 -0.316 -2.339 1.00 64.10 C ATOM 29 C ARG A 3 7.241 1.202 -2.454 1.00 24.53 C ATOM 30 O ARG A 3 6.303 1.807 -1.938 1.00 74.22 O ATOM 31 CB ARG A 3 8.566 -0.811 -3.126 1.00 43.01 C ATOM 32 CG ARG A 3 8.730 -2.322 -3.107 1.00 2.11 C ATOM 33 CD ARG A 3 9.172 -2.817 -1.739 1.00 0.14 C ATOM 34 NE ARG A 3 10.246 -3.802 -1.833 1.00 42.24 N ATOM 35 CZ ARG A 3 10.564 -4.639 -0.852 1.00 63.25 C ATOM 36 NH1 ARG A 3 9.894 -4.611 0.291 1.00 74.31 N ATOM 37 NH2 ARG A 3 11.555 -5.507 -1.014 1.00 73.25 N ATOM 0 H ARG A 3 5.906 -0.755 -3.794 1.00 44.12 H new ATOM 0 HA ARG A 3 7.477 -0.575 -1.288 1.00 64.10 H new ATOM 0 HB2 ARG A 3 8.479 -0.476 -4.160 1.00 43.01 H new ATOM 0 HB3 ARG A 3 9.465 -0.351 -2.716 1.00 43.01 H new ATOM 0 HG2 ARG A 3 7.786 -2.795 -3.379 1.00 2.11 H new ATOM 0 HG3 ARG A 3 9.463 -2.619 -3.857 1.00 2.11 H new ATOM 0 HD2 ARG A 3 9.508 -1.971 -1.139 1.00 0.14 H new ATOM 0 HD3 ARG A 3 8.320 -3.258 -1.221 1.00 0.14 H new ATOM 0 HE ARG A 3 10.781 -3.850 -2.700 1.00 42.24 H new ATOM 0 HH11 ARG A 3 9.132 -3.945 0.419 1.00 74.31 H new ATOM 0 HH12 ARG A 3 10.141 -5.255 1.043 1.00 74.31 H new ATOM 0 HH21 ARG A 3 12.073 -5.532 -1.892 1.00 73.25 H new ATOM 0 HH22 ARG A 3 11.799 -6.149 -0.260 1.00 73.25 H new ATOM 51 N GLY A 4 8.209 1.810 -3.133 1.00 54.34 N ATOM 52 CA GLY A 4 8.202 3.252 -3.303 1.00 21.42 C ATOM 53 C GLY A 4 8.326 3.665 -4.756 1.00 13.22 C ATOM 54 O GLY A 4 9.432 3.805 -5.276 1.00 65.43 O ATOM 0 H GLY A 4 8.997 1.331 -3.568 1.00 54.34 H new ATOM 0 HA2 GLY A 4 7.279 3.659 -2.890 1.00 21.42 H new ATOM 0 HA3 GLY A 4 9.024 3.686 -2.734 1.00 21.42 H new ATOM 58 N TRP A 5 7.188 3.860 -5.412 1.00 52.03 N ATOM 59 CA TRP A 5 7.174 4.258 -6.815 1.00 53.44 C ATOM 60 C TRP A 5 7.815 5.630 -6.998 1.00 71.54 C ATOM 61 O TRP A 5 7.152 6.659 -6.867 1.00 22.33 O ATOM 62 CB TRP A 5 5.740 4.277 -7.347 1.00 53.21 C ATOM 63 CG TRP A 5 4.917 3.115 -6.878 1.00 42.24 C ATOM 64 CD1 TRP A 5 3.605 3.139 -6.502 1.00 13.14 C ATOM 65 CD2 TRP A 5 5.353 1.759 -6.735 1.00 42.00 C ATOM 66 NE1 TRP A 5 3.199 1.879 -6.133 1.00 15.44 N ATOM 67 CE2 TRP A 5 4.252 1.015 -6.268 1.00 23.33 C ATOM 68 CE3 TRP A 5 6.565 1.101 -6.958 1.00 24.41 C ATOM 69 CZ2 TRP A 5 4.330 -0.353 -6.019 1.00 44.00 C ATOM 70 CZ3 TRP A 5 6.641 -0.257 -6.710 1.00 44.23 C ATOM 71 CH2 TRP A 5 5.530 -0.972 -6.246 1.00 14.03 C ATOM 0 H TRP A 5 6.264 3.749 -4.995 1.00 52.03 H new ATOM 0 HA TRP A 5 7.754 3.528 -7.380 1.00 53.44 H new ATOM 0 HB2 TRP A 5 5.257 5.204 -7.037 1.00 53.21 H new ATOM 0 HB3 TRP A 5 5.764 4.280 -8.437 1.00 53.21 H new ATOM 0 HD1 TRP A 5 2.978 4.019 -6.495 1.00 13.14 H new ATOM 0 HE1 TRP A 5 2.264 1.628 -5.811 1.00 15.44 H new ATOM 0 HE3 TRP A 5 7.427 1.643 -7.318 1.00 24.41 H new ATOM 0 HZ2 TRP A 5 3.475 -0.906 -5.660 1.00 44.00 H new ATOM 0 HZ3 TRP A 5 7.574 -0.775 -6.877 1.00 44.23 H new ATOM 0 HH2 TRP A 5 5.621 -2.033 -6.064 1.00 14.03 H new ATOM 82 N LYS A 6 9.108 5.637 -7.303 1.00 2.20 N ATOM 83 CA LYS A 6 9.840 6.882 -7.506 1.00 14.21 C ATOM 84 C LYS A 6 10.262 7.034 -8.964 1.00 33.22 C ATOM 85 O LYS A 6 9.420 7.124 -9.857 1.00 53.43 O ATOM 86 CB LYS A 6 11.072 6.927 -6.600 1.00 11.33 C ATOM 87 CG LYS A 6 10.738 6.907 -5.118 1.00 64.30 C ATOM 88 CD LYS A 6 11.814 6.196 -4.314 1.00 45.31 C ATOM 89 CE LYS A 6 13.126 6.966 -4.336 1.00 1.22 C ATOM 90 NZ LYS A 6 14.139 6.362 -3.427 1.00 21.21 N ATOM 0 H LYS A 6 9.671 4.794 -7.415 1.00 2.20 H new ATOM 0 HA LYS A 6 9.178 7.709 -7.250 1.00 14.21 H new ATOM 0 HB2 LYS A 6 11.714 6.077 -6.831 1.00 11.33 H new ATOM 0 HB3 LYS A 6 11.644 7.828 -6.823 1.00 11.33 H new ATOM 0 HG2 LYS A 6 10.627 7.929 -4.755 1.00 64.30 H new ATOM 0 HG3 LYS A 6 9.780 6.409 -4.966 1.00 64.30 H new ATOM 0 HD2 LYS A 6 11.479 6.074 -3.284 1.00 45.31 H new ATOM 0 HD3 LYS A 6 11.971 5.196 -4.718 1.00 45.31 H new ATOM 0 HE2 LYS A 6 13.518 6.987 -5.353 1.00 1.22 H new ATOM 0 HE3 LYS A 6 12.945 8.000 -4.042 1.00 1.22 H new ATOM 0 HZ1 LYS A 6 15.018 6.915 -3.471 1.00 21.21 H new ATOM 0 HZ2 LYS A 6 13.776 6.365 -2.452 1.00 21.21 H new ATOM 0 HZ3 LYS A 6 14.331 5.383 -3.722 1.00 21.21 H new ATOM 104 N ARG A 7 11.570 7.059 -9.197 1.00 11.13 N ATOM 105 CA ARG A 7 12.103 7.199 -10.546 1.00 41.24 C ATOM 106 C ARG A 7 12.232 5.838 -11.224 1.00 50.11 C ATOM 107 O ARG A 7 11.354 5.423 -11.981 1.00 12.22 O ATOM 108 CB ARG A 7 13.466 7.894 -10.510 1.00 34.21 C ATOM 109 CG ARG A 7 13.375 9.409 -10.436 1.00 51.21 C ATOM 110 CD ARG A 7 14.080 9.950 -9.202 1.00 43.13 C ATOM 111 NE ARG A 7 13.650 11.307 -8.877 1.00 10.15 N ATOM 112 CZ ARG A 7 14.119 11.999 -7.844 1.00 34.33 C ATOM 113 NH1 ARG A 7 15.028 11.463 -7.041 1.00 40.41 N ATOM 114 NH2 ARG A 7 13.678 13.229 -7.613 1.00 32.35 N ATOM 0 H ARG A 7 12.280 6.984 -8.469 1.00 11.13 H new ATOM 0 HA ARG A 7 11.407 7.809 -11.123 1.00 41.24 H new ATOM 0 HB2 ARG A 7 14.028 7.530 -9.650 1.00 34.21 H new ATOM 0 HB3 ARG A 7 14.030 7.615 -11.400 1.00 34.21 H new ATOM 0 HG2 ARG A 7 13.819 9.845 -11.331 1.00 51.21 H new ATOM 0 HG3 ARG A 7 12.328 9.711 -10.420 1.00 51.21 H new ATOM 0 HD2 ARG A 7 13.882 9.294 -8.354 1.00 43.13 H new ATOM 0 HD3 ARG A 7 15.157 9.941 -9.367 1.00 43.13 H new ATOM 0 HE ARG A 7 12.952 11.748 -9.476 1.00 10.15 H new ATOM 0 HH11 ARG A 7 15.369 10.518 -7.216 1.00 40.41 H new ATOM 0 HH12 ARG A 7 15.386 11.996 -6.249 1.00 40.41 H new ATOM 0 HH21 ARG A 7 12.978 13.644 -8.229 1.00 32.35 H new ATOM 0 HH22 ARG A 7 14.038 13.759 -6.820 1.00 32.35 H new ATOM 128 N LYS A 8 13.333 5.147 -10.948 1.00 11.42 N ATOM 129 CA LYS A 8 13.578 3.833 -11.529 1.00 61.11 C ATOM 130 C LYS A 8 12.516 2.833 -11.082 1.00 1.54 C ATOM 131 O LYS A 8 12.714 2.091 -10.119 1.00 13.51 O ATOM 132 CB LYS A 8 14.968 3.328 -11.133 1.00 15.41 C ATOM 133 CG LYS A 8 15.251 3.434 -9.645 1.00 24.15 C ATOM 134 CD LYS A 8 15.352 2.063 -8.997 1.00 71.35 C ATOM 135 CE LYS A 8 16.419 2.034 -7.914 1.00 41.52 C ATOM 136 NZ LYS A 8 16.917 0.654 -7.662 1.00 63.11 N ATOM 0 H LYS A 8 14.070 5.476 -10.325 1.00 11.42 H new ATOM 0 HA LYS A 8 13.528 3.929 -12.614 1.00 61.11 H new ATOM 0 HB2 LYS A 8 15.069 2.287 -11.440 1.00 15.41 H new ATOM 0 HB3 LYS A 8 15.721 3.896 -11.679 1.00 15.41 H new ATOM 0 HG2 LYS A 8 16.181 3.981 -9.489 1.00 24.15 H new ATOM 0 HG3 LYS A 8 14.459 4.008 -9.163 1.00 24.15 H new ATOM 0 HD2 LYS A 8 14.388 1.791 -8.567 1.00 71.35 H new ATOM 0 HD3 LYS A 8 15.583 1.317 -9.757 1.00 71.35 H new ATOM 0 HE2 LYS A 8 17.252 2.672 -8.208 1.00 41.52 H new ATOM 0 HE3 LYS A 8 16.011 2.447 -6.991 1.00 41.52 H new ATOM 0 HZ1 LYS A 8 17.643 0.677 -6.917 1.00 63.11 H new ATOM 0 HZ2 LYS A 8 16.127 0.050 -7.357 1.00 63.11 H new ATOM 0 HZ3 LYS A 8 17.330 0.269 -8.536 1.00 63.11 H new ATOM 150 N CYS A 9 11.390 2.818 -11.787 1.00 10.22 N ATOM 151 CA CYS A 9 10.297 1.909 -11.463 1.00 51.44 C ATOM 152 C CYS A 9 10.831 0.539 -11.055 1.00 41.54 C ATOM 153 O CYS A 9 11.208 -0.282 -11.892 1.00 4.44 O ATOM 154 CB CYS A 9 9.354 1.766 -12.660 1.00 24.20 C ATOM 155 SG CYS A 9 8.643 3.340 -13.239 1.00 34.50 S ATOM 0 H CYS A 9 11.210 3.425 -12.587 1.00 10.22 H new ATOM 0 HA CYS A 9 9.745 2.329 -10.622 1.00 51.44 H new ATOM 0 HB2 CYS A 9 9.897 1.300 -13.483 1.00 24.20 H new ATOM 0 HB3 CYS A 9 8.542 1.090 -12.391 1.00 24.20 H new ATOM 0 HG CYS A 9 7.498 3.114 -13.812 1.00 34.50 H new ATOM 160 N PRO A 10 10.864 0.286 -9.739 1.00 23.43 N ATOM 161 CA PRO A 10 11.349 -0.984 -9.189 1.00 44.13 C ATOM 162 C PRO A 10 10.405 -2.143 -9.488 1.00 63.45 C ATOM 163 O PRO A 10 10.818 -3.168 -10.033 1.00 74.43 O ATOM 164 CB PRO A 10 11.410 -0.719 -7.683 1.00 13.50 C ATOM 165 CG PRO A 10 10.412 0.363 -7.449 1.00 20.34 C ATOM 166 CD PRO A 10 10.430 1.218 -8.685 1.00 43.20 C ATOM 0 HA PRO A 10 12.305 -1.277 -9.623 1.00 44.13 H new ATOM 0 HB2 PRO A 10 11.164 -1.615 -7.113 1.00 13.50 H new ATOM 0 HB3 PRO A 10 12.409 -0.410 -7.375 1.00 13.50 H new ATOM 0 HG2 PRO A 10 9.419 -0.053 -7.277 1.00 20.34 H new ATOM 0 HG3 PRO A 10 10.670 0.948 -6.566 1.00 20.34 H new ATOM 0 HD2 PRO A 10 9.446 1.636 -8.899 1.00 43.20 H new ATOM 0 HD3 PRO A 10 11.118 2.057 -8.583 1.00 43.20 H new ATOM 174 N LEU A 11 9.137 -1.975 -9.130 1.00 24.52 N ATOM 175 CA LEU A 11 8.134 -3.009 -9.361 1.00 13.34 C ATOM 176 C LEU A 11 7.194 -2.612 -10.495 1.00 4.30 C ATOM 177 O LEU A 11 7.143 -3.273 -11.532 1.00 52.34 O ATOM 178 CB LEU A 11 7.331 -3.262 -8.083 1.00 52.24 C ATOM 179 CG LEU A 11 6.518 -4.557 -8.047 1.00 5.22 C ATOM 180 CD1 LEU A 11 6.167 -4.926 -6.614 1.00 53.10 C ATOM 181 CD2 LEU A 11 5.258 -4.420 -8.889 1.00 4.10 C ATOM 0 H LEU A 11 8.779 -1.133 -8.679 1.00 24.52 H new ATOM 0 HA LEU A 11 8.651 -3.925 -9.646 1.00 13.34 H new ATOM 0 HB2 LEU A 11 8.021 -3.266 -7.239 1.00 52.24 H new ATOM 0 HB3 LEU A 11 6.650 -2.424 -7.934 1.00 52.24 H new ATOM 0 HG LEU A 11 7.126 -5.357 -8.468 1.00 5.22 H new ATOM 0 HD11 LEU A 11 5.589 -5.850 -6.607 1.00 53.10 H new ATOM 0 HD12 LEU A 11 7.083 -5.067 -6.040 1.00 53.10 H new ATOM 0 HD13 LEU A 11 5.578 -4.126 -6.166 1.00 53.10 H new ATOM 0 HD21 LEU A 11 4.692 -5.351 -8.851 1.00 4.10 H new ATOM 0 HD22 LEU A 11 4.646 -3.607 -8.498 1.00 4.10 H new ATOM 0 HD23 LEU A 11 5.532 -4.203 -9.921 1.00 4.10 H new ATOM 193 N PHE A 12 6.454 -1.527 -10.291 1.00 45.23 N ATOM 194 CA PHE A 12 5.518 -1.040 -11.297 1.00 73.45 C ATOM 195 C PHE A 12 6.257 -0.571 -12.547 1.00 71.43 C ATOM 196 O PHE A 12 6.427 0.627 -12.768 1.00 72.24 O ATOM 197 CB PHE A 12 4.675 0.104 -10.730 1.00 24.11 C ATOM 198 CG PHE A 12 5.394 1.423 -10.706 1.00 21.41 C ATOM 199 CD1 PHE A 12 6.613 1.551 -10.060 1.00 20.42 C ATOM 200 CD2 PHE A 12 4.850 2.534 -11.329 1.00 44.30 C ATOM 201 CE1 PHE A 12 7.277 2.763 -10.036 1.00 63.51 C ATOM 202 CE2 PHE A 12 5.510 3.749 -11.309 1.00 61.41 C ATOM 203 CZ PHE A 12 6.724 3.863 -10.661 1.00 4.22 C ATOM 0 H PHE A 12 6.485 -0.969 -9.438 1.00 45.23 H new ATOM 0 HA PHE A 12 4.860 -1.864 -11.573 1.00 73.45 H new ATOM 0 HB2 PHE A 12 3.767 0.205 -11.324 1.00 24.11 H new ATOM 0 HB3 PHE A 12 4.366 -0.151 -9.716 1.00 24.11 H new ATOM 0 HD1 PHE A 12 7.050 0.694 -9.569 1.00 20.42 H new ATOM 0 HD2 PHE A 12 3.900 2.450 -11.836 1.00 44.30 H new ATOM 0 HE1 PHE A 12 8.227 2.849 -9.529 1.00 63.51 H new ATOM 0 HE2 PHE A 12 5.076 4.608 -11.800 1.00 61.41 H new ATOM 0 HZ PHE A 12 7.240 4.811 -10.643 1.00 4.22 H new ATOM 213 N GLY A 13 6.695 -1.527 -13.362 1.00 1.40 N ATOM 214 CA GLY A 13 7.412 -1.192 -14.579 1.00 34.50 C ATOM 215 C GLY A 13 6.833 -1.879 -15.800 1.00 34.52 C ATOM 216 O GLY A 13 5.727 -1.559 -16.237 1.00 1.34 O ATOM 0 H GLY A 13 6.566 -2.526 -13.201 1.00 1.40 H new ATOM 0 HA2 GLY A 13 7.386 -0.112 -14.727 1.00 34.50 H new ATOM 0 HA3 GLY A 13 8.459 -1.474 -14.470 1.00 34.50 H new ATOM 220 N LYS A 14 7.581 -2.827 -16.354 1.00 42.13 N ATOM 221 CA LYS A 14 7.137 -3.562 -17.533 1.00 2.32 C ATOM 222 C LYS A 14 5.718 -4.087 -17.344 1.00 33.03 C ATOM 223 O LYS A 14 5.028 -4.401 -18.312 1.00 75.23 O ATOM 224 CB LYS A 14 8.089 -4.725 -17.822 1.00 54.13 C ATOM 225 CG LYS A 14 8.521 -5.481 -16.578 1.00 75.52 C ATOM 226 CD LYS A 14 9.639 -6.464 -16.883 1.00 51.21 C ATOM 227 CE LYS A 14 10.938 -5.745 -17.212 1.00 2.41 C ATOM 228 NZ LYS A 14 11.499 -6.183 -18.520 1.00 23.23 N ATOM 0 H LYS A 14 8.498 -3.105 -16.005 1.00 42.13 H new ATOM 0 HA LYS A 14 7.142 -2.877 -18.381 1.00 2.32 H new ATOM 0 HB2 LYS A 14 7.604 -5.419 -18.508 1.00 54.13 H new ATOM 0 HB3 LYS A 14 8.974 -4.341 -18.330 1.00 54.13 H new ATOM 0 HG2 LYS A 14 8.854 -4.774 -15.819 1.00 75.52 H new ATOM 0 HG3 LYS A 14 7.668 -6.017 -16.162 1.00 75.52 H new ATOM 0 HD2 LYS A 14 9.792 -7.120 -16.026 1.00 51.21 H new ATOM 0 HD3 LYS A 14 9.350 -7.097 -17.722 1.00 51.21 H new ATOM 0 HE2 LYS A 14 10.762 -4.670 -17.234 1.00 2.41 H new ATOM 0 HE3 LYS A 14 11.667 -5.933 -16.423 1.00 2.41 H new ATOM 0 HZ1 LYS A 14 12.384 -5.670 -18.708 1.00 23.23 H new ATOM 0 HZ2 LYS A 14 11.691 -7.205 -18.491 1.00 23.23 H new ATOM 0 HZ3 LYS A 14 10.815 -5.981 -19.276 1.00 23.23 H new ATOM 242 N GLY A 15 5.287 -4.178 -16.089 1.00 25.52 N ATOM 243 CA GLY A 15 3.952 -4.665 -15.796 1.00 51.22 C ATOM 244 C GLY A 15 2.917 -4.138 -16.770 1.00 54.10 C ATOM 245 O GLY A 15 1.929 -4.811 -17.062 1.00 21.14 O ATOM 0 H GLY A 15 5.839 -3.923 -15.270 1.00 25.52 H new ATOM 0 HA2 GLY A 15 3.952 -5.755 -15.824 1.00 51.22 H new ATOM 0 HA3 GLY A 15 3.676 -4.372 -14.783 1.00 51.22 H new ATOM 249 N GLY A 16 3.142 -2.928 -17.274 1.00 32.21 N ATOM 250 CA GLY A 16 2.211 -2.331 -18.214 1.00 1.04 C ATOM 251 C GLY A 16 2.018 -3.178 -19.456 1.00 42.30 C ATOM 252 O GLY A 16 0.987 -3.828 -19.618 1.00 73.25 O ATOM 0 H GLY A 16 3.952 -2.351 -17.048 1.00 32.21 H new ATOM 0 HA2 GLY A 16 1.248 -2.185 -17.724 1.00 1.04 H new ATOM 0 HA3 GLY A 16 2.574 -1.345 -18.503 1.00 1.04 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 8.372 -1.892 -28.778 1.00 14.03 N ATOM 258 CA VAL B 1 8.292 -1.031 -27.603 1.00 63.45 C ATOM 259 C VAL B 1 7.405 0.180 -27.869 1.00 32.54 C ATOM 260 O VAL B 1 7.362 0.699 -28.984 1.00 24.54 O ATOM 261 CB VAL B 1 9.688 -0.546 -27.168 1.00 54.00 C ATOM 262 CG1 VAL B 1 9.582 0.359 -25.950 1.00 43.43 C ATOM 263 CG2 VAL B 1 10.599 -1.731 -26.885 1.00 11.44 C ATOM 0 H1 VAL B 1 8.712 -2.834 -28.496 1.00 14.03 H new ATOM 0 H2 VAL B 1 7.430 -1.979 -29.210 1.00 14.03 H new ATOM 0 H3 VAL B 1 9.032 -1.478 -29.467 1.00 14.03 H new ATOM 0 HA VAL B 1 7.856 -1.627 -26.801 1.00 63.45 H new ATOM 0 HB VAL B 1 10.124 0.031 -27.983 1.00 54.00 H new ATOM 0 HG11 VAL B 1 10.577 0.692 -25.657 1.00 43.43 H new ATOM 0 HG12 VAL B 1 8.966 1.225 -26.193 1.00 43.43 H new ATOM 0 HG13 VAL B 1 9.126 -0.191 -25.127 1.00 43.43 H new ATOM 0 HG21 VAL B 1 11.581 -1.370 -26.579 1.00 11.44 H new ATOM 0 HG22 VAL B 1 10.170 -2.337 -26.087 1.00 11.44 H new ATOM 0 HG23 VAL B 1 10.699 -2.336 -27.786 1.00 11.44 H new ATOM 273 N ALA B 2 6.697 0.625 -26.836 1.00 3.34 N ATOM 274 CA ALA B 2 5.812 1.777 -26.956 1.00 3.10 C ATOM 275 C ALA B 2 6.608 3.075 -27.035 1.00 45.33 C ATOM 276 O ALA B 2 6.634 3.736 -28.074 1.00 4.13 O ATOM 277 CB ALA B 2 4.842 1.822 -25.785 1.00 72.40 C ATOM 0 H ALA B 2 6.719 0.205 -25.907 1.00 3.34 H new ATOM 0 HA ALA B 2 5.244 1.672 -27.880 1.00 3.10 H new ATOM 0 HB1 ALA B 2 4.187 2.687 -25.888 1.00 72.40 H new ATOM 0 HB2 ALA B 2 4.242 0.912 -25.775 1.00 72.40 H new ATOM 0 HB3 ALA B 2 5.401 1.899 -24.852 1.00 72.40 H new ATOM 283 N ARG B 3 7.256 3.435 -25.932 1.00 10.21 N ATOM 284 CA ARG B 3 8.051 4.656 -25.877 1.00 24.24 C ATOM 285 C ARG B 3 9.509 4.341 -25.552 1.00 73.23 C ATOM 286 O ARG B 3 10.167 3.590 -26.271 1.00 31.22 O ATOM 287 CB ARG B 3 7.481 5.615 -24.830 1.00 73.22 C ATOM 288 CG ARG B 3 6.034 6.005 -25.086 1.00 61.13 C ATOM 289 CD ARG B 3 5.190 5.870 -23.829 1.00 11.34 C ATOM 290 NE ARG B 3 4.252 6.979 -23.678 1.00 54.30 N ATOM 291 CZ ARG B 3 3.118 7.081 -24.362 1.00 74.54 C ATOM 292 NH1 ARG B 3 2.783 6.144 -25.239 1.00 51.24 N ATOM 293 NH2 ARG B 3 2.315 8.120 -24.170 1.00 25.23 N ATOM 0 H ARG B 3 7.246 2.899 -25.064 1.00 10.21 H new ATOM 0 HA ARG B 3 8.009 5.131 -26.857 1.00 24.24 H new ATOM 0 HB2 ARG B 3 7.555 5.151 -23.846 1.00 73.22 H new ATOM 0 HB3 ARG B 3 8.093 6.517 -24.804 1.00 73.22 H new ATOM 0 HG2 ARG B 3 5.991 7.033 -25.445 1.00 61.13 H new ATOM 0 HG3 ARG B 3 5.620 5.375 -25.873 1.00 61.13 H new ATOM 0 HD2 ARG B 3 4.638 4.931 -23.862 1.00 11.34 H new ATOM 0 HD3 ARG B 3 5.843 5.826 -22.957 1.00 11.34 H new ATOM 0 HE ARG B 3 4.480 7.716 -23.011 1.00 54.30 H new ATOM 0 HH11 ARG B 3 3.397 5.343 -25.389 1.00 51.24 H new ATOM 0 HH12 ARG B 3 1.912 6.224 -25.763 1.00 51.24 H new ATOM 0 HH21 ARG B 3 2.568 8.842 -23.496 1.00 25.23 H new ATOM 0 HH22 ARG B 3 1.445 8.196 -24.697 1.00 25.23 H new ATOM 307 N GLY B 4 10.007 4.921 -24.465 1.00 13.53 N ATOM 308 CA GLY B 4 11.383 4.691 -24.065 1.00 15.13 C ATOM 309 C GLY B 4 11.506 4.313 -22.602 1.00 75.10 C ATOM 310 O GLY B 4 11.789 5.161 -21.756 1.00 40.55 O ATOM 0 H GLY B 4 9.482 5.546 -23.854 1.00 13.53 H new ATOM 0 HA2 GLY B 4 11.809 3.898 -24.679 1.00 15.13 H new ATOM 0 HA3 GLY B 4 11.969 5.590 -24.255 1.00 15.13 H new ATOM 314 N TRP B 5 11.290 3.037 -22.303 1.00 5.03 N ATOM 315 CA TRP B 5 11.377 2.549 -20.931 1.00 63.10 C ATOM 316 C TRP B 5 12.709 2.937 -20.298 1.00 61.24 C ATOM 317 O TRP B 5 13.724 2.273 -20.508 1.00 25.43 O ATOM 318 CB TRP B 5 11.206 1.029 -20.897 1.00 13.31 C ATOM 319 CG TRP B 5 10.103 0.536 -21.785 1.00 25.14 C ATOM 320 CD1 TRP B 5 10.087 -0.626 -22.502 1.00 42.24 C ATOM 321 CD2 TRP B 5 8.858 1.191 -22.050 1.00 4.24 C ATOM 322 NE1 TRP B 5 8.907 -0.732 -23.198 1.00 32.12 N ATOM 323 CE2 TRP B 5 8.136 0.369 -22.936 1.00 55.23 C ATOM 324 CE3 TRP B 5 8.283 2.391 -21.623 1.00 32.13 C ATOM 325 CZ2 TRP B 5 6.869 0.711 -23.403 1.00 0.12 C ATOM 326 CZ3 TRP B 5 7.026 2.729 -22.087 1.00 31.11 C ATOM 327 CH2 TRP B 5 6.330 1.891 -22.969 1.00 13.53 C ATOM 0 H TRP B 5 11.054 2.322 -22.991 1.00 5.03 H new ATOM 0 HA TRP B 5 10.575 3.011 -20.356 1.00 63.10 H new ATOM 0 HB2 TRP B 5 12.142 0.558 -21.197 1.00 13.31 H new ATOM 0 HB3 TRP B 5 11.006 0.716 -19.872 1.00 13.31 H new ATOM 0 HD1 TRP B 5 10.884 -1.354 -22.519 1.00 42.24 H new ATOM 0 HE1 TRP B 5 8.647 -1.505 -23.810 1.00 32.12 H new ATOM 0 HE3 TRP B 5 8.811 3.042 -20.943 1.00 32.13 H new ATOM 0 HZ2 TRP B 5 6.331 0.067 -24.084 1.00 0.12 H new ATOM 0 HZ3 TRP B 5 6.572 3.654 -21.765 1.00 31.11 H new ATOM 0 HH2 TRP B 5 5.349 2.183 -23.313 1.00 13.53 H new ATOM 338 N LYS B 6 12.699 4.016 -19.523 1.00 60.12 N ATOM 339 CA LYS B 6 13.906 4.492 -18.858 1.00 50.21 C ATOM 340 C LYS B 6 13.715 4.528 -17.345 1.00 43.11 C ATOM 341 O LYS B 6 13.447 3.502 -16.719 1.00 51.44 O ATOM 342 CB LYS B 6 14.279 5.886 -19.369 1.00 74.31 C ATOM 343 CG LYS B 6 14.536 5.936 -20.865 1.00 41.21 C ATOM 344 CD LYS B 6 13.944 7.188 -21.491 1.00 32.20 C ATOM 345 CE LYS B 6 14.784 8.417 -21.180 1.00 53.34 C ATOM 346 NZ LYS B 6 15.045 9.233 -22.399 1.00 34.14 N ATOM 0 H LYS B 6 11.868 4.578 -19.340 1.00 60.12 H new ATOM 0 HA LYS B 6 14.715 3.799 -19.088 1.00 50.21 H new ATOM 0 HB2 LYS B 6 13.476 6.581 -19.123 1.00 74.31 H new ATOM 0 HB3 LYS B 6 15.170 6.230 -18.844 1.00 74.31 H new ATOM 0 HG2 LYS B 6 15.609 5.907 -21.052 1.00 41.21 H new ATOM 0 HG3 LYS B 6 14.106 5.053 -21.339 1.00 41.21 H new ATOM 0 HD2 LYS B 6 13.874 7.058 -22.571 1.00 32.20 H new ATOM 0 HD3 LYS B 6 12.929 7.336 -21.121 1.00 32.20 H new ATOM 0 HE2 LYS B 6 14.272 9.028 -20.436 1.00 53.34 H new ATOM 0 HE3 LYS B 6 15.732 8.107 -20.740 1.00 53.34 H new ATOM 0 HZ1 LYS B 6 15.620 10.061 -22.146 1.00 34.14 H new ATOM 0 HZ2 LYS B 6 15.556 8.658 -23.099 1.00 34.14 H new ATOM 0 HZ3 LYS B 6 14.141 9.550 -22.805 1.00 34.14 H new ATOM 360 N ARG B 7 13.854 5.715 -16.764 1.00 3.12 N ATOM 361 CA ARG B 7 13.697 5.884 -15.324 1.00 70.13 C ATOM 362 C ARG B 7 12.231 6.101 -14.959 1.00 44.54 C ATOM 363 O ARG B 7 11.552 5.184 -14.498 1.00 42.01 O ATOM 364 CB ARG B 7 14.537 7.065 -14.833 1.00 34.40 C ATOM 365 CG ARG B 7 16.019 6.750 -14.715 1.00 0.32 C ATOM 366 CD ARG B 7 16.873 7.865 -15.298 1.00 50.05 C ATOM 367 NE ARG B 7 17.346 7.546 -16.643 1.00 34.31 N ATOM 368 CZ ARG B 7 18.389 6.761 -16.888 1.00 71.20 C ATOM 369 NH1 ARG B 7 19.065 6.218 -15.885 1.00 35.13 N ATOM 370 NH2 ARG B 7 18.758 6.517 -18.139 1.00 41.31 N ATOM 0 H ARG B 7 14.075 6.574 -17.268 1.00 3.12 H new ATOM 0 HA ARG B 7 14.044 4.973 -14.836 1.00 70.13 H new ATOM 0 HB2 ARG B 7 14.406 7.903 -15.518 1.00 34.40 H new ATOM 0 HB3 ARG B 7 14.164 7.386 -13.861 1.00 34.40 H new ATOM 0 HG2 ARG B 7 16.278 6.602 -13.667 1.00 0.32 H new ATOM 0 HG3 ARG B 7 16.236 5.815 -15.232 1.00 0.32 H new ATOM 0 HD2 ARG B 7 16.294 8.788 -15.327 1.00 50.05 H new ATOM 0 HD3 ARG B 7 17.728 8.045 -14.646 1.00 50.05 H new ATOM 0 HE ARG B 7 16.848 7.948 -17.437 1.00 34.31 H new ATOM 0 HH11 ARG B 7 18.785 6.403 -14.922 1.00 35.13 H new ATOM 0 HH12 ARG B 7 19.866 5.616 -16.077 1.00 35.13 H new ATOM 0 HH21 ARG B 7 18.241 6.932 -18.914 1.00 41.31 H new ATOM 0 HH22 ARG B 7 19.559 5.914 -18.326 1.00 41.31 H new ATOM 384 N LYS B 8 11.750 7.322 -15.169 1.00 11.13 N ATOM 385 CA LYS B 8 10.365 7.662 -14.863 1.00 62.41 C ATOM 386 C LYS B 8 9.406 6.910 -15.780 1.00 53.45 C ATOM 387 O LYS B 8 8.772 7.504 -16.653 1.00 41.45 O ATOM 388 CB LYS B 8 10.146 9.170 -15.003 1.00 34.32 C ATOM 389 CG LYS B 8 10.540 9.718 -16.363 1.00 52.32 C ATOM 390 CD LYS B 8 11.973 10.224 -16.367 1.00 33.32 C ATOM 391 CE LYS B 8 12.112 11.499 -17.185 1.00 21.53 C ATOM 392 NZ LYS B 8 13.337 12.262 -16.818 1.00 62.40 N ATOM 0 H LYS B 8 12.299 8.093 -15.550 1.00 11.13 H new ATOM 0 HA LYS B 8 10.162 7.366 -13.834 1.00 62.41 H new ATOM 0 HB2 LYS B 8 9.095 9.394 -14.821 1.00 34.32 H new ATOM 0 HB3 LYS B 8 10.720 9.685 -14.233 1.00 34.32 H new ATOM 0 HG2 LYS B 8 10.426 8.939 -17.117 1.00 52.32 H new ATOM 0 HG3 LYS B 8 9.866 10.529 -16.639 1.00 52.32 H new ATOM 0 HD2 LYS B 8 12.297 10.410 -15.343 1.00 33.32 H new ATOM 0 HD3 LYS B 8 12.630 9.456 -16.774 1.00 33.32 H new ATOM 0 HE2 LYS B 8 12.144 11.249 -18.245 1.00 21.53 H new ATOM 0 HE3 LYS B 8 11.234 12.126 -17.032 1.00 21.53 H new ATOM 0 HZ1 LYS B 8 13.396 13.124 -17.397 1.00 62.40 H new ATOM 0 HZ2 LYS B 8 13.295 12.523 -15.812 1.00 62.40 H new ATOM 0 HZ3 LYS B 8 14.177 11.673 -16.988 1.00 62.40 H new ATOM 406 N CYS B 9 9.302 5.601 -15.576 1.00 50.54 N ATOM 407 CA CYS B 9 8.419 4.769 -16.384 1.00 31.30 C ATOM 408 C CYS B 9 7.136 5.517 -16.735 1.00 44.24 C ATOM 409 O CYS B 9 6.213 5.629 -15.929 1.00 53.42 O ATOM 410 CB CYS B 9 8.080 3.476 -15.639 1.00 2.11 C ATOM 411 SG CYS B 9 7.905 3.680 -13.837 1.00 40.52 S ATOM 0 H CYS B 9 9.819 5.094 -14.858 1.00 50.54 H new ATOM 0 HA CYS B 9 8.940 4.523 -17.309 1.00 31.30 H new ATOM 0 HB2 CYS B 9 7.151 3.071 -16.040 1.00 2.11 H new ATOM 0 HB3 CYS B 9 8.860 2.740 -15.837 1.00 2.11 H new ATOM 0 HG CYS B 9 9.073 3.588 -13.274 1.00 40.52 H new ATOM 416 N PRO B 10 7.077 6.042 -17.968 1.00 73.04 N ATOM 417 CA PRO B 10 5.913 6.788 -18.456 1.00 13.04 C ATOM 418 C PRO B 10 4.699 5.891 -18.672 1.00 54.34 C ATOM 419 O PRO B 10 3.610 6.171 -18.169 1.00 73.10 O ATOM 420 CB PRO B 10 6.395 7.367 -19.788 1.00 72.33 C ATOM 421 CG PRO B 10 7.473 6.441 -20.235 1.00 70.04 C ATOM 422 CD PRO B 10 8.141 5.947 -18.982 1.00 33.11 C ATOM 0 HA PRO B 10 5.584 7.543 -17.742 1.00 13.04 H new ATOM 0 HB2 PRO B 10 5.585 7.413 -20.516 1.00 72.33 H new ATOM 0 HB3 PRO B 10 6.771 8.383 -19.665 1.00 72.33 H new ATOM 0 HG2 PRO B 10 7.061 5.612 -20.811 1.00 70.04 H new ATOM 0 HG3 PRO B 10 8.186 6.954 -20.881 1.00 70.04 H new ATOM 0 HD2 PRO B 10 8.499 4.924 -19.094 1.00 33.11 H new ATOM 0 HD3 PRO B 10 9.003 6.559 -18.718 1.00 33.11 H new ATOM 430 N LEU B 11 4.892 4.813 -19.423 1.00 61.15 N ATOM 431 CA LEU B 11 3.812 3.874 -19.706 1.00 63.35 C ATOM 432 C LEU B 11 3.904 2.650 -18.801 1.00 33.22 C ATOM 433 O LEU B 11 3.056 2.443 -17.932 1.00 24.22 O ATOM 434 CB LEU B 11 3.857 3.442 -21.173 1.00 60.52 C ATOM 435 CG LEU B 11 2.564 2.855 -21.740 1.00 15.31 C ATOM 436 CD1 LEU B 11 2.281 1.493 -21.126 1.00 61.22 C ATOM 437 CD2 LEU B 11 1.398 3.803 -21.498 1.00 53.04 C ATOM 0 H LEU B 11 5.786 4.567 -19.847 1.00 61.15 H new ATOM 0 HA LEU B 11 2.865 4.377 -19.510 1.00 63.35 H new ATOM 0 HB2 LEU B 11 4.136 4.306 -21.777 1.00 60.52 H new ATOM 0 HB3 LEU B 11 4.650 2.703 -21.289 1.00 60.52 H new ATOM 0 HG LEU B 11 2.687 2.727 -22.815 1.00 15.31 H new ATOM 0 HD11 LEU B 11 1.357 1.091 -21.542 1.00 61.22 H new ATOM 0 HD12 LEU B 11 3.105 0.815 -21.350 1.00 61.22 H new ATOM 0 HD13 LEU B 11 2.178 1.595 -20.046 1.00 61.22 H new ATOM 0 HD21 LEU B 11 0.486 3.370 -21.908 1.00 53.04 H new ATOM 0 HD22 LEU B 11 1.275 3.962 -20.427 1.00 53.04 H new ATOM 0 HD23 LEU B 11 1.597 4.757 -21.986 1.00 53.04 H new ATOM 449 N PHE B 12 4.938 1.842 -19.009 1.00 4.33 N ATOM 450 CA PHE B 12 5.142 0.639 -18.210 1.00 53.12 C ATOM 451 C PHE B 12 5.396 0.993 -16.748 1.00 1.41 C ATOM 452 O PHE B 12 6.531 0.947 -16.275 1.00 12.11 O ATOM 453 CB PHE B 12 6.316 -0.172 -18.762 1.00 32.32 C ATOM 454 CG PHE B 12 7.659 0.399 -18.406 1.00 32.41 C ATOM 455 CD1 PHE B 12 7.947 1.731 -18.651 1.00 51.44 C ATOM 456 CD2 PHE B 12 8.633 -0.398 -17.826 1.00 42.22 C ATOM 457 CE1 PHE B 12 9.182 2.260 -18.325 1.00 15.12 C ATOM 458 CE2 PHE B 12 9.869 0.125 -17.497 1.00 44.31 C ATOM 459 CZ PHE B 12 10.144 1.456 -17.748 1.00 24.52 C ATOM 0 H PHE B 12 5.648 1.998 -19.724 1.00 4.33 H new ATOM 0 HA PHE B 12 4.235 0.037 -18.267 1.00 53.12 H new ATOM 0 HB2 PHE B 12 6.252 -1.192 -18.384 1.00 32.32 H new ATOM 0 HB3 PHE B 12 6.230 -0.228 -19.847 1.00 32.32 H new ATOM 0 HD1 PHE B 12 7.198 2.364 -19.102 1.00 51.44 H new ATOM 0 HD2 PHE B 12 8.424 -1.439 -17.629 1.00 42.22 H new ATOM 0 HE1 PHE B 12 9.394 3.301 -18.522 1.00 15.12 H new ATOM 0 HE2 PHE B 12 10.620 -0.506 -17.044 1.00 44.31 H new ATOM 0 HZ PHE B 12 11.110 1.866 -17.493 1.00 24.52 H new ATOM 469 N GLY B 13 4.330 1.348 -16.037 1.00 11.11 N ATOM 470 CA GLY B 13 4.458 1.706 -14.636 1.00 72.04 C ATOM 471 C GLY B 13 3.518 0.915 -13.748 1.00 2.32 C ATOM 472 O GLY B 13 3.758 -0.259 -13.467 1.00 31.21 O ATOM 0 H GLY B 13 3.380 1.394 -16.406 1.00 11.11 H new ATOM 0 HA2 GLY B 13 5.485 1.538 -14.313 1.00 72.04 H new ATOM 0 HA3 GLY B 13 4.257 2.771 -14.516 1.00 72.04 H new ATOM 476 N LYS B 14 2.445 1.560 -13.302 1.00 5.11 N ATOM 477 CA LYS B 14 1.466 0.911 -12.439 1.00 74.11 C ATOM 478 C LYS B 14 1.118 -0.480 -12.961 1.00 10.33 C ATOM 479 O LYS B 14 0.722 -1.359 -12.197 1.00 2.24 O ATOM 480 CB LYS B 14 0.198 1.762 -12.342 1.00 13.42 C ATOM 481 CG LYS B 14 0.450 3.173 -11.839 1.00 14.25 C ATOM 482 CD LYS B 14 1.065 3.168 -10.449 1.00 70.02 C ATOM 483 CE LYS B 14 1.218 4.579 -9.902 1.00 72.11 C ATOM 484 NZ LYS B 14 0.389 4.794 -8.684 1.00 4.15 N ATOM 0 H LYS B 14 2.232 2.532 -13.524 1.00 5.11 H new ATOM 0 HA LYS B 14 1.905 0.809 -11.447 1.00 74.11 H new ATOM 0 HB2 LYS B 14 -0.271 1.814 -13.325 1.00 13.42 H new ATOM 0 HB3 LYS B 14 -0.510 1.269 -11.676 1.00 13.42 H new ATOM 0 HG2 LYS B 14 1.114 3.693 -12.530 1.00 14.25 H new ATOM 0 HG3 LYS B 14 -0.489 3.727 -11.821 1.00 14.25 H new ATOM 0 HD2 LYS B 14 0.440 2.581 -9.776 1.00 70.02 H new ATOM 0 HD3 LYS B 14 2.040 2.682 -10.483 1.00 70.02 H new ATOM 0 HE2 LYS B 14 2.266 4.765 -9.666 1.00 72.11 H new ATOM 0 HE3 LYS B 14 0.931 5.299 -10.668 1.00 72.11 H new ATOM 0 HZ1 LYS B 14 0.521 5.767 -8.342 1.00 4.15 H new ATOM 0 HZ2 LYS B 14 -0.613 4.641 -8.915 1.00 4.15 H new ATOM 0 HZ3 LYS B 14 0.680 4.124 -7.943 1.00 4.15 H new ATOM 498 N GLY B 15 1.270 -0.672 -14.268 1.00 2.14 N ATOM 499 CA GLY B 15 0.969 -1.958 -14.868 1.00 62.32 C ATOM 500 C GLY B 15 1.400 -3.120 -13.996 1.00 21.53 C ATOM 501 O GLY B 15 0.743 -4.160 -13.966 1.00 65.40 O ATOM 0 H GLY B 15 1.596 0.040 -14.921 1.00 2.14 H new ATOM 0 HA2 GLY B 15 -0.103 -2.026 -15.055 1.00 62.32 H new ATOM 0 HA3 GLY B 15 1.467 -2.030 -15.835 1.00 62.32 H new ATOM 505 N GLY B 16 2.509 -2.945 -13.284 1.00 2.25 N ATOM 506 CA GLY B 16 3.009 -3.997 -12.417 1.00 40.55 C ATOM 507 C GLY B 16 2.228 -4.101 -11.122 1.00 64.03 C ATOM 508 O GLY B 16 2.024 -3.103 -10.431 1.00 74.31 O ATOM 0 H GLY B 16 3.070 -2.093 -13.292 1.00 2.25 H new ATOM 0 HA2 GLY B 16 2.962 -4.950 -12.943 1.00 40.55 H new ATOM 0 HA3 GLY B 16 4.059 -3.809 -12.191 1.00 40.55 H new TER 512 GLY B 16