USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 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 -107:sc= -17.7! USER MOD Set 1.2: B 9 CYS SG : rot -82:sc= -34.2! USER MOD Single : A 1 VAL N :NH3+ 146:sc= -0.0448 (180deg=-0.314) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0125 (180deg=-0.187) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -162:sc= -0.062 (180deg=-0.5) USER MOD Single : B 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0013) 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 0.116 0.694 -1.034 1.00 31.42 N ATOM 2 CA VAL A 1 1.267 0.735 -1.928 1.00 53.41 C ATOM 3 C VAL A 1 2.320 -0.287 -1.516 1.00 40.15 C ATOM 4 O VAL A 1 2.502 -0.563 -0.331 1.00 42.41 O ATOM 5 CB VAL A 1 1.908 2.136 -1.952 1.00 70.44 C ATOM 6 CG1 VAL A 1 2.282 2.576 -0.546 1.00 3.25 C ATOM 7 CG2 VAL A 1 3.125 2.148 -2.865 1.00 53.13 C ATOM 0 H1 VAL A 1 -0.275 1.652 -0.927 1.00 31.42 H new ATOM 0 H2 VAL A 1 -0.611 0.066 -1.433 1.00 31.42 H new ATOM 0 H3 VAL A 1 0.412 0.335 -0.104 1.00 31.42 H new ATOM 0 HA VAL A 1 0.902 0.493 -2.926 1.00 53.41 H new ATOM 0 HB VAL A 1 1.179 2.844 -2.346 1.00 70.44 H new ATOM 0 HG11 VAL A 1 2.733 3.568 -0.583 1.00 3.25 H new ATOM 0 HG12 VAL A 1 1.387 2.608 0.076 1.00 3.25 H new ATOM 0 HG13 VAL A 1 2.994 1.869 -0.121 1.00 3.25 H new ATOM 0 HG21 VAL A 1 3.566 3.145 -2.871 1.00 53.13 H new ATOM 0 HG22 VAL A 1 3.859 1.429 -2.502 1.00 53.13 H new ATOM 0 HG23 VAL A 1 2.823 1.879 -3.877 1.00 53.13 H new ATOM 17 N ALA A 2 3.012 -0.846 -2.504 1.00 52.00 N ATOM 18 CA ALA A 2 4.049 -1.836 -2.245 1.00 23.34 C ATOM 19 C ALA A 2 5.283 -1.189 -1.625 1.00 64.21 C ATOM 20 O ALA A 2 5.556 -1.362 -0.437 1.00 63.21 O ATOM 21 CB ALA A 2 4.420 -2.561 -3.530 1.00 22.21 C ATOM 0 H ALA A 2 2.873 -0.630 -3.491 1.00 52.00 H new ATOM 0 HA ALA A 2 3.655 -2.561 -1.533 1.00 23.34 H new ATOM 0 HB1 ALA A 2 5.196 -3.298 -3.321 1.00 22.21 H new ATOM 0 HB2 ALA A 2 3.540 -3.064 -3.931 1.00 22.21 H new ATOM 0 HB3 ALA A 2 4.790 -1.841 -4.260 1.00 22.21 H new ATOM 27 N ARG A 3 6.026 -0.444 -2.437 1.00 70.23 N ATOM 28 CA ARG A 3 7.232 0.227 -1.969 1.00 3.13 C ATOM 29 C ARG A 3 7.125 1.737 -2.164 1.00 22.41 C ATOM 30 O ARG A 3 6.185 2.370 -1.686 1.00 32.53 O ATOM 31 CB ARG A 3 8.460 -0.308 -2.709 1.00 55.21 C ATOM 32 CG ARG A 3 8.629 -1.814 -2.598 1.00 25.14 C ATOM 33 CD ARG A 3 9.114 -2.219 -1.214 1.00 61.12 C ATOM 34 NE ARG A 3 9.944 -3.420 -1.255 1.00 4.10 N ATOM 35 CZ ARG A 3 10.190 -4.180 -0.193 1.00 44.45 C ATOM 36 NH1 ARG A 3 9.672 -3.865 0.986 1.00 41.14 N ATOM 37 NH2 ARG A 3 10.956 -5.257 -0.310 1.00 60.13 N ATOM 0 H ARG A 3 5.813 -0.290 -3.423 1.00 70.23 H new ATOM 0 HA ARG A 3 7.341 0.022 -0.904 1.00 3.13 H new ATOM 0 HB2 ARG A 3 8.387 -0.036 -3.762 1.00 55.21 H new ATOM 0 HB3 ARG A 3 9.352 0.179 -2.315 1.00 55.21 H new ATOM 0 HG2 ARG A 3 7.679 -2.305 -2.810 1.00 25.14 H new ATOM 0 HG3 ARG A 3 9.340 -2.158 -3.349 1.00 25.14 H new ATOM 0 HD2 ARG A 3 9.683 -1.400 -0.775 1.00 61.12 H new ATOM 0 HD3 ARG A 3 8.255 -2.394 -0.566 1.00 61.12 H new ATOM 0 HE ARG A 3 10.357 -3.690 -2.147 1.00 4.10 H new ATOM 0 HH11 ARG A 3 9.083 -3.038 1.080 1.00 41.14 H new ATOM 0 HH12 ARG A 3 9.862 -4.450 1.799 1.00 41.14 H new ATOM 0 HH21 ARG A 3 11.356 -5.502 -1.216 1.00 60.13 H new ATOM 0 HH22 ARG A 3 11.144 -5.840 0.506 1.00 60.13 H new ATOM 51 N GLY A 4 8.097 2.308 -2.870 1.00 33.51 N ATOM 52 CA GLY A 4 8.093 3.738 -3.115 1.00 62.12 C ATOM 53 C GLY A 4 8.223 4.074 -4.588 1.00 23.15 C ATOM 54 O GLY A 4 9.332 4.167 -5.114 1.00 2.32 O ATOM 0 H GLY A 4 8.886 1.806 -3.276 1.00 33.51 H new ATOM 0 HA2 GLY A 4 7.169 4.167 -2.728 1.00 62.12 H new ATOM 0 HA3 GLY A 4 8.914 4.200 -2.566 1.00 62.12 H new ATOM 58 N TRP A 5 7.089 4.254 -5.254 1.00 12.43 N ATOM 59 CA TRP A 5 7.081 4.580 -6.675 1.00 41.24 C ATOM 60 C TRP A 5 7.721 5.942 -6.925 1.00 75.54 C ATOM 61 O TRP A 5 7.058 6.976 -6.838 1.00 21.45 O ATOM 62 CB TRP A 5 5.650 4.569 -7.215 1.00 33.45 C ATOM 63 CG TRP A 5 4.827 3.430 -6.691 1.00 0.41 C ATOM 64 CD1 TRP A 5 3.513 3.472 -6.320 1.00 24.52 C ATOM 65 CD2 TRP A 5 5.264 2.084 -6.479 1.00 21.33 C ATOM 66 NE1 TRP A 5 3.107 2.231 -5.890 1.00 4.34 N ATOM 67 CE2 TRP A 5 4.163 1.362 -5.978 1.00 55.31 C ATOM 68 CE3 TRP A 5 6.478 1.416 -6.665 1.00 13.44 C ATOM 69 CZ2 TRP A 5 4.241 0.009 -5.661 1.00 65.22 C ATOM 70 CZ3 TRP A 5 6.554 0.073 -6.349 1.00 45.23 C ATOM 71 CH2 TRP A 5 5.442 -0.619 -5.853 1.00 20.30 C ATOM 0 H TRP A 5 6.163 4.180 -4.833 1.00 12.43 H new ATOM 0 HA TRP A 5 7.665 3.823 -7.198 1.00 41.24 H new ATOM 0 HB2 TRP A 5 5.164 5.509 -6.955 1.00 33.45 H new ATOM 0 HB3 TRP A 5 5.680 4.516 -8.303 1.00 33.45 H new ATOM 0 HD1 TRP A 5 2.886 4.350 -6.359 1.00 24.52 H new ATOM 0 HE1 TRP A 5 2.171 1.995 -5.559 1.00 4.34 H new ATOM 0 HE3 TRP A 5 7.341 1.940 -7.049 1.00 13.44 H new ATOM 0 HZ2 TRP A 5 3.385 -0.526 -5.277 1.00 65.22 H new ATOM 0 HZ3 TRP A 5 7.487 -0.452 -6.487 1.00 45.23 H new ATOM 0 HH2 TRP A 5 5.534 -1.669 -5.617 1.00 20.30 H new ATOM 82 N LYS A 6 9.012 5.935 -7.238 1.00 0.45 N ATOM 83 CA LYS A 6 9.742 7.170 -7.502 1.00 74.20 C ATOM 84 C LYS A 6 10.078 7.296 -8.985 1.00 14.25 C ATOM 85 O LYS A 6 9.186 7.414 -9.825 1.00 34.31 O ATOM 86 CB LYS A 6 11.026 7.215 -6.671 1.00 41.24 C ATOM 87 CG LYS A 6 11.757 5.885 -6.609 1.00 4.42 C ATOM 88 CD LYS A 6 13.032 5.988 -5.789 1.00 4.23 C ATOM 89 CE LYS A 6 14.268 5.987 -6.676 1.00 74.03 C ATOM 90 NZ LYS A 6 15.386 5.213 -6.070 1.00 33.33 N ATOM 0 H LYS A 6 9.575 5.088 -7.315 1.00 0.45 H new ATOM 0 HA LYS A 6 9.105 8.008 -7.219 1.00 74.20 H new ATOM 0 HB2 LYS A 6 11.694 7.968 -7.090 1.00 41.24 H new ATOM 0 HB3 LYS A 6 10.782 7.534 -5.658 1.00 41.24 H new ATOM 0 HG2 LYS A 6 11.103 5.129 -6.174 1.00 4.42 H new ATOM 0 HG3 LYS A 6 11.998 5.554 -7.619 1.00 4.42 H new ATOM 0 HD2 LYS A 6 13.010 6.901 -5.194 1.00 4.23 H new ATOM 0 HD3 LYS A 6 13.084 5.154 -5.090 1.00 4.23 H new ATOM 0 HE2 LYS A 6 14.017 5.562 -7.648 1.00 74.03 H new ATOM 0 HE3 LYS A 6 14.590 7.014 -6.851 1.00 74.03 H new ATOM 0 HZ1 LYS A 6 16.209 5.237 -6.705 1.00 33.33 H new ATOM 0 HZ2 LYS A 6 15.643 5.634 -5.154 1.00 33.33 H new ATOM 0 HZ3 LYS A 6 15.088 4.227 -5.927 1.00 33.33 H new ATOM 104 N ARG A 7 11.369 7.270 -9.298 1.00 72.13 N ATOM 105 CA ARG A 7 11.822 7.381 -10.680 1.00 12.34 C ATOM 106 C ARG A 7 11.942 6.004 -11.325 1.00 60.11 C ATOM 107 O ARG A 7 11.060 5.576 -12.069 1.00 73.43 O ATOM 108 CB ARG A 7 13.169 8.104 -10.740 1.00 54.13 C ATOM 109 CG ARG A 7 14.005 7.940 -9.482 1.00 10.43 C ATOM 110 CD ARG A 7 13.703 9.031 -8.466 1.00 52.33 C ATOM 111 NE ARG A 7 14.793 9.997 -8.360 1.00 1.22 N ATOM 112 CZ ARG A 7 14.824 10.974 -7.461 1.00 11.44 C ATOM 113 NH1 ARG A 7 13.830 11.114 -6.594 1.00 41.33 N ATOM 114 NH2 ARG A 7 15.851 11.814 -7.427 1.00 11.05 N ATOM 0 H ARG A 7 12.120 7.173 -8.614 1.00 72.13 H new ATOM 0 HA ARG A 7 11.082 7.959 -11.234 1.00 12.34 H new ATOM 0 HB2 ARG A 7 13.735 7.730 -11.593 1.00 54.13 H new ATOM 0 HB3 ARG A 7 12.994 9.166 -10.914 1.00 54.13 H new ATOM 0 HG2 ARG A 7 13.809 6.964 -9.038 1.00 10.43 H new ATOM 0 HG3 ARG A 7 15.063 7.966 -9.741 1.00 10.43 H new ATOM 0 HD2 ARG A 7 12.787 9.548 -8.751 1.00 52.33 H new ATOM 0 HD3 ARG A 7 13.524 8.579 -7.491 1.00 52.33 H new ATOM 0 HE ARG A 7 15.573 9.917 -9.012 1.00 1.22 H new ATOM 0 HH11 ARG A 7 13.039 10.470 -6.617 1.00 41.33 H new ATOM 0 HH12 ARG A 7 13.857 11.865 -5.905 1.00 41.33 H new ATOM 0 HH21 ARG A 7 16.618 11.710 -8.092 1.00 11.05 H new ATOM 0 HH22 ARG A 7 15.874 12.564 -6.736 1.00 11.05 H new ATOM 128 N LYS A 8 13.040 5.314 -11.035 1.00 43.44 N ATOM 129 CA LYS A 8 13.277 3.985 -11.586 1.00 2.21 C ATOM 130 C LYS A 8 12.271 2.980 -11.034 1.00 51.42 C ATOM 131 O LYS A 8 12.588 2.196 -10.140 1.00 21.13 O ATOM 132 CB LYS A 8 14.701 3.525 -11.266 1.00 62.23 C ATOM 133 CG LYS A 8 15.770 4.525 -11.673 1.00 74.33 C ATOM 134 CD LYS A 8 16.423 4.138 -12.989 1.00 63.32 C ATOM 135 CE LYS A 8 17.563 3.153 -12.777 1.00 3.30 C ATOM 136 NZ LYS A 8 18.746 3.802 -12.146 1.00 70.10 N ATOM 0 H LYS A 8 13.780 5.654 -10.421 1.00 43.44 H new ATOM 0 HA LYS A 8 13.153 4.040 -12.668 1.00 2.21 H new ATOM 0 HB2 LYS A 8 14.781 3.336 -10.195 1.00 62.23 H new ATOM 0 HB3 LYS A 8 14.890 2.578 -11.772 1.00 62.23 H new ATOM 0 HG2 LYS A 8 15.326 5.517 -11.764 1.00 74.33 H new ATOM 0 HG3 LYS A 8 16.529 4.585 -10.893 1.00 74.33 H new ATOM 0 HD2 LYS A 8 15.677 3.697 -13.650 1.00 63.32 H new ATOM 0 HD3 LYS A 8 16.801 5.032 -13.486 1.00 63.32 H new ATOM 0 HE2 LYS A 8 17.221 2.331 -12.148 1.00 3.30 H new ATOM 0 HE3 LYS A 8 17.853 2.722 -13.735 1.00 3.30 H new ATOM 0 HZ1 LYS A 8 19.587 3.208 -12.292 1.00 70.10 H new ATOM 0 HZ2 LYS A 8 18.902 4.735 -12.579 1.00 70.10 H new ATOM 0 HZ3 LYS A 8 18.576 3.917 -11.126 1.00 70.10 H new ATOM 150 N CYS A 9 11.057 3.009 -11.574 1.00 30.40 N ATOM 151 CA CYS A 9 10.004 2.100 -11.137 1.00 30.10 C ATOM 152 C CYS A 9 10.575 0.724 -10.808 1.00 21.33 C ATOM 153 O CYS A 9 10.852 -0.089 -11.691 1.00 14.35 O ATOM 154 CB CYS A 9 8.930 1.973 -12.219 1.00 33.11 C ATOM 155 SG CYS A 9 9.576 2.045 -13.921 1.00 11.54 S ATOM 0 H CYS A 9 10.778 3.652 -12.315 1.00 30.40 H new ATOM 0 HA CYS A 9 9.554 2.513 -10.234 1.00 30.10 H new ATOM 0 HB2 CYS A 9 8.401 1.030 -12.082 1.00 33.11 H new ATOM 0 HB3 CYS A 9 8.199 2.770 -12.085 1.00 33.11 H new ATOM 0 HG CYS A 9 9.263 3.188 -14.456 1.00 11.54 H new ATOM 160 N PRO A 10 10.756 0.454 -9.506 1.00 43.43 N ATOM 161 CA PRO A 10 11.295 -0.823 -9.030 1.00 0.02 C ATOM 162 C PRO A 10 10.318 -1.976 -9.233 1.00 62.10 C ATOM 163 O PRO A 10 10.673 -3.012 -9.798 1.00 0.33 O ATOM 164 CB PRO A 10 11.527 -0.575 -7.537 1.00 71.41 C ATOM 165 CG PRO A 10 10.567 0.506 -7.179 1.00 31.02 C ATOM 166 CD PRO A 10 10.449 1.376 -8.400 1.00 34.13 C ATOM 0 HA PRO A 10 12.194 -1.114 -9.573 1.00 0.02 H new ATOM 0 HB2 PRO A 10 11.344 -1.477 -6.953 1.00 71.41 H new ATOM 0 HB3 PRO A 10 12.556 -0.272 -7.341 1.00 71.41 H new ATOM 0 HG2 PRO A 10 9.598 0.091 -6.900 1.00 31.02 H new ATOM 0 HG3 PRO A 10 10.926 1.079 -6.324 1.00 31.02 H new ATOM 0 HD2 PRO A 10 9.450 1.800 -8.496 1.00 34.13 H new ATOM 0 HD3 PRO A 10 11.148 2.212 -8.367 1.00 34.13 H new ATOM 174 N LEU A 11 9.087 -1.791 -8.770 1.00 52.43 N ATOM 175 CA LEU A 11 8.058 -2.816 -8.902 1.00 15.00 C ATOM 176 C LEU A 11 7.103 -2.485 -10.045 1.00 33.44 C ATOM 177 O LEU A 11 7.029 -3.212 -11.036 1.00 34.23 O ATOM 178 CB LEU A 11 7.277 -2.954 -7.594 1.00 10.13 C ATOM 179 CG LEU A 11 6.471 -4.242 -7.426 1.00 33.32 C ATOM 180 CD1 LEU A 11 5.258 -4.237 -8.344 1.00 3.32 C ATOM 181 CD2 LEU A 11 7.344 -5.458 -7.700 1.00 43.33 C ATOM 0 H LEU A 11 8.777 -0.941 -8.300 1.00 52.43 H new ATOM 0 HA LEU A 11 8.550 -3.763 -9.126 1.00 15.00 H new ATOM 0 HB2 LEU A 11 7.980 -2.878 -6.765 1.00 10.13 H new ATOM 0 HB3 LEU A 11 6.594 -2.108 -7.511 1.00 10.13 H new ATOM 0 HG LEU A 11 6.121 -4.296 -6.395 1.00 33.32 H new ATOM 0 HD11 LEU A 11 4.697 -5.162 -8.210 1.00 3.32 H new ATOM 0 HD12 LEU A 11 4.621 -3.387 -8.100 1.00 3.32 H new ATOM 0 HD13 LEU A 11 5.586 -4.159 -9.380 1.00 3.32 H new ATOM 0 HD21 LEU A 11 6.753 -6.366 -7.576 1.00 43.33 H new ATOM 0 HD22 LEU A 11 7.725 -5.410 -8.720 1.00 43.33 H new ATOM 0 HD23 LEU A 11 8.180 -5.471 -7.001 1.00 43.33 H new ATOM 193 N PHE A 12 6.375 -1.383 -9.900 1.00 52.04 N ATOM 194 CA PHE A 12 5.425 -0.955 -10.921 1.00 2.10 C ATOM 195 C PHE A 12 6.148 -0.559 -12.205 1.00 64.41 C ATOM 196 O PHE A 12 6.303 0.624 -12.504 1.00 73.24 O ATOM 197 CB PHE A 12 4.590 0.221 -10.410 1.00 22.13 C ATOM 198 CG PHE A 12 5.324 1.531 -10.430 1.00 4.05 C ATOM 199 CD1 PHE A 12 6.499 1.693 -9.713 1.00 63.22 C ATOM 200 CD2 PHE A 12 4.839 2.601 -11.164 1.00 44.12 C ATOM 201 CE1 PHE A 12 7.178 2.897 -9.729 1.00 73.05 C ATOM 202 CE2 PHE A 12 5.514 3.807 -11.185 1.00 14.34 C ATOM 203 CZ PHE A 12 6.683 3.956 -10.465 1.00 65.15 C ATOM 0 H PHE A 12 6.424 -0.770 -9.086 1.00 52.04 H new ATOM 0 HA PHE A 12 4.764 -1.793 -11.140 1.00 2.10 H new ATOM 0 HB2 PHE A 12 3.690 0.309 -11.019 1.00 22.13 H new ATOM 0 HB3 PHE A 12 4.266 0.011 -9.391 1.00 22.13 H new ATOM 0 HD1 PHE A 12 6.889 0.868 -9.135 1.00 63.22 H new ATOM 0 HD2 PHE A 12 3.923 2.492 -11.726 1.00 44.12 H new ATOM 0 HE1 PHE A 12 8.094 3.009 -9.167 1.00 73.05 H new ATOM 0 HE2 PHE A 12 5.127 4.632 -11.764 1.00 14.34 H new ATOM 0 HZ PHE A 12 7.209 4.899 -10.477 1.00 65.15 H new ATOM 213 N GLY A 13 6.591 -1.560 -12.961 1.00 33.34 N ATOM 214 CA GLY A 13 7.293 -1.298 -14.203 1.00 50.51 C ATOM 215 C GLY A 13 6.680 -2.029 -15.381 1.00 44.21 C ATOM 216 O GLY A 13 5.572 -1.710 -15.811 1.00 75.41 O ATOM 0 H GLY A 13 6.476 -2.548 -12.734 1.00 33.34 H new ATOM 0 HA2 GLY A 13 7.287 -0.226 -14.401 1.00 50.51 H new ATOM 0 HA3 GLY A 13 8.336 -1.596 -14.097 1.00 50.51 H new ATOM 220 N LYS A 14 7.404 -3.011 -15.907 1.00 20.44 N ATOM 221 CA LYS A 14 6.927 -3.791 -17.043 1.00 14.42 C ATOM 222 C LYS A 14 5.497 -4.269 -16.812 1.00 33.20 C ATOM 223 O LYS A 14 4.777 -4.586 -17.758 1.00 44.24 O ATOM 224 CB LYS A 14 7.844 -4.991 -17.286 1.00 43.11 C ATOM 225 CG LYS A 14 9.222 -4.609 -17.799 1.00 1.02 C ATOM 226 CD LYS A 14 10.319 -5.360 -17.063 1.00 71.31 C ATOM 227 CE LYS A 14 11.078 -4.448 -16.112 1.00 1.00 C ATOM 228 NZ LYS A 14 12.180 -5.167 -15.415 1.00 21.02 N ATOM 0 H LYS A 14 8.325 -3.286 -15.564 1.00 20.44 H new ATOM 0 HA LYS A 14 6.939 -3.149 -17.924 1.00 14.42 H new ATOM 0 HB2 LYS A 14 7.953 -5.548 -16.356 1.00 43.11 H new ATOM 0 HB3 LYS A 14 7.370 -5.660 -18.005 1.00 43.11 H new ATOM 0 HG2 LYS A 14 9.286 -4.823 -18.866 1.00 1.02 H new ATOM 0 HG3 LYS A 14 9.371 -3.536 -17.679 1.00 1.02 H new ATOM 0 HD2 LYS A 14 9.883 -6.188 -16.504 1.00 71.31 H new ATOM 0 HD3 LYS A 14 11.012 -5.793 -17.784 1.00 71.31 H new ATOM 0 HE2 LYS A 14 11.489 -3.605 -16.668 1.00 1.00 H new ATOM 0 HE3 LYS A 14 10.388 -4.038 -15.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 12.673 -4.511 -14.776 1.00 21.02 H new ATOM 0 HZ2 LYS A 14 11.786 -5.956 -14.864 1.00 21.02 H new ATOM 0 HZ3 LYS A 14 12.852 -5.537 -16.117 1.00 21.02 H new ATOM 242 N GLY A 15 5.091 -4.318 -15.547 1.00 15.12 N ATOM 243 CA GLY A 15 3.748 -4.757 -15.215 1.00 72.42 C ATOM 244 C GLY A 15 2.708 -4.221 -16.179 1.00 33.13 C ATOM 245 O GLY A 15 1.695 -4.871 -16.434 1.00 52.25 O ATOM 0 H GLY A 15 5.668 -4.062 -14.746 1.00 15.12 H new ATOM 0 HA2 GLY A 15 3.714 -5.846 -15.218 1.00 72.42 H new ATOM 0 HA3 GLY A 15 3.503 -4.433 -14.204 1.00 72.42 H new ATOM 249 N GLY A 16 2.957 -3.030 -16.714 1.00 3.20 N ATOM 250 CA GLY A 16 2.024 -2.426 -17.647 1.00 44.31 C ATOM 251 C GLY A 16 1.907 -3.210 -18.939 1.00 34.12 C ATOM 252 O GLY A 16 1.321 -4.292 -18.965 1.00 51.43 O ATOM 0 H GLY A 16 3.788 -2.472 -16.518 1.00 3.20 H new ATOM 0 HA2 GLY A 16 1.042 -2.354 -17.179 1.00 44.31 H new ATOM 0 HA3 GLY A 16 2.346 -1.409 -17.871 1.00 44.31 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 8.010 -2.336 -28.443 1.00 21.32 N ATOM 258 CA VAL B 1 7.940 -1.471 -27.271 1.00 54.05 C ATOM 259 C VAL B 1 7.009 -0.289 -27.517 1.00 0.41 C ATOM 260 O VAL B 1 6.922 0.225 -28.632 1.00 30.21 O ATOM 261 CB VAL B 1 9.332 -0.942 -26.880 1.00 40.30 C ATOM 262 CG1 VAL B 1 9.233 -0.014 -25.679 1.00 35.03 C ATOM 263 CG2 VAL B 1 10.280 -2.097 -26.595 1.00 12.11 C ATOM 0 H1 VAL B 1 8.386 -3.265 -28.167 1.00 21.32 H new ATOM 0 H2 VAL B 1 7.058 -2.453 -28.845 1.00 21.32 H new ATOM 0 H3 VAL B 1 8.636 -1.907 -29.154 1.00 21.32 H new ATOM 0 HA VAL B 1 7.547 -2.076 -26.453 1.00 54.05 H new ATOM 0 HB VAL B 1 9.733 -0.371 -27.718 1.00 40.30 H new ATOM 0 HG11 VAL B 1 10.227 0.350 -25.417 1.00 35.03 H new ATOM 0 HG12 VAL B 1 8.590 0.831 -25.924 1.00 35.03 H new ATOM 0 HG13 VAL B 1 8.811 -0.557 -24.833 1.00 35.03 H new ATOM 0 HG21 VAL B 1 11.259 -1.705 -26.320 1.00 12.11 H new ATOM 0 HG22 VAL B 1 9.886 -2.697 -25.775 1.00 12.11 H new ATOM 0 HG23 VAL B 1 10.375 -2.718 -27.486 1.00 12.11 H new ATOM 273 N ALA B 2 6.315 0.139 -26.467 1.00 42.12 N ATOM 274 CA ALA B 2 5.393 1.263 -26.568 1.00 15.02 C ATOM 275 C ALA B 2 6.146 2.581 -26.708 1.00 3.25 C ATOM 276 O ALA B 2 6.126 3.210 -27.766 1.00 71.40 O ATOM 277 CB ALA B 2 4.475 1.303 -25.354 1.00 44.34 C ATOM 0 H ALA B 2 6.374 -0.276 -25.537 1.00 42.12 H new ATOM 0 HA ALA B 2 4.788 1.125 -27.464 1.00 15.02 H new ATOM 0 HB1 ALA B 2 3.791 2.147 -25.442 1.00 44.34 H new ATOM 0 HB2 ALA B 2 3.903 0.377 -25.300 1.00 44.34 H new ATOM 0 HB3 ALA B 2 5.073 1.413 -24.449 1.00 44.34 H new ATOM 283 N ARG B 3 6.810 2.995 -25.633 1.00 30.21 N ATOM 284 CA ARG B 3 7.569 4.240 -25.636 1.00 33.32 C ATOM 285 C ARG B 3 9.043 3.979 -25.340 1.00 33.25 C ATOM 286 O ARG B 3 9.707 3.230 -26.054 1.00 71.44 O ATOM 287 CB ARG B 3 6.995 5.214 -24.605 1.00 60.20 C ATOM 288 CG ARG B 3 5.528 5.544 -24.829 1.00 64.04 C ATOM 289 CD ARG B 3 4.857 5.999 -23.543 1.00 73.21 C ATOM 290 NE ARG B 3 4.838 7.454 -23.420 1.00 64.11 N ATOM 291 CZ ARG B 3 4.092 8.246 -24.181 1.00 52.41 C ATOM 292 NH1 ARG B 3 3.306 7.727 -25.114 1.00 64.15 N ATOM 293 NH2 ARG B 3 4.130 9.562 -24.009 1.00 35.53 N ATOM 0 H ARG B 3 6.838 2.486 -24.749 1.00 30.21 H new ATOM 0 HA ARG B 3 7.489 4.683 -26.629 1.00 33.32 H new ATOM 0 HB2 ARG B 3 7.115 4.788 -23.609 1.00 60.20 H new ATOM 0 HB3 ARG B 3 7.574 6.137 -24.628 1.00 60.20 H new ATOM 0 HG2 ARG B 3 5.441 6.327 -25.583 1.00 64.04 H new ATOM 0 HG3 ARG B 3 5.012 4.667 -25.219 1.00 64.04 H new ATOM 0 HD2 ARG B 3 3.836 5.619 -23.513 1.00 73.21 H new ATOM 0 HD3 ARG B 3 5.381 5.570 -22.689 1.00 73.21 H new ATOM 0 HE ARG B 3 5.430 7.886 -22.711 1.00 64.11 H new ATOM 0 HH11 ARG B 3 3.273 6.716 -25.249 1.00 64.15 H new ATOM 0 HH12 ARG B 3 2.734 8.338 -25.697 1.00 64.15 H new ATOM 0 HH21 ARG B 3 4.733 9.965 -23.292 1.00 35.53 H new ATOM 0 HH22 ARG B 3 3.557 10.170 -24.594 1.00 35.53 H new ATOM 307 N GLY B 4 9.548 4.603 -24.280 1.00 11.41 N ATOM 308 CA GLY B 4 10.939 4.426 -23.908 1.00 45.53 C ATOM 309 C GLY B 4 11.113 4.137 -22.431 1.00 34.25 C ATOM 310 O GLY B 4 11.306 5.052 -21.630 1.00 41.15 O ATOM 0 H GLY B 4 9.018 5.228 -23.672 1.00 11.41 H new ATOM 0 HA2 GLY B 4 11.365 3.607 -24.488 1.00 45.53 H new ATOM 0 HA3 GLY B 4 11.498 5.325 -24.167 1.00 45.53 H new ATOM 314 N TRP B 5 11.041 2.861 -22.067 1.00 44.43 N ATOM 315 CA TRP B 5 11.190 2.454 -20.675 1.00 1.13 C ATOM 316 C TRP B 5 12.552 2.869 -20.128 1.00 53.45 C ATOM 317 O TRP B 5 13.547 2.168 -20.314 1.00 53.53 O ATOM 318 CB TRP B 5 11.014 0.940 -20.543 1.00 41.40 C ATOM 319 CG TRP B 5 9.933 0.389 -21.423 1.00 45.33 C ATOM 320 CD1 TRP B 5 9.969 -0.778 -22.132 1.00 1.41 C ATOM 321 CD2 TRP B 5 8.659 0.984 -21.690 1.00 14.03 C ATOM 322 NE1 TRP B 5 8.793 -0.944 -22.823 1.00 21.22 N ATOM 323 CE2 TRP B 5 7.972 0.122 -22.568 1.00 2.34 C ATOM 324 CE3 TRP B 5 8.029 2.159 -21.271 1.00 2.24 C ATOM 325 CZ2 TRP B 5 6.690 0.401 -23.033 1.00 0.31 C ATOM 326 CZ3 TRP B 5 6.757 2.435 -21.734 1.00 33.24 C ATOM 327 CH2 TRP B 5 6.098 1.559 -22.607 1.00 33.15 C ATOM 0 H TRP B 5 10.880 2.091 -22.717 1.00 44.43 H new ATOM 0 HA TRP B 5 10.417 2.955 -20.092 1.00 1.13 H new ATOM 0 HB2 TRP B 5 11.956 0.449 -20.787 1.00 41.40 H new ATOM 0 HB3 TRP B 5 10.787 0.697 -19.505 1.00 41.40 H new ATOM 0 HD1 TRP B 5 10.799 -1.468 -22.147 1.00 1.41 H new ATOM 0 HE1 TRP B 5 8.568 -1.734 -23.428 1.00 21.22 H new ATOM 0 HE3 TRP B 5 8.528 2.839 -20.597 1.00 2.24 H new ATOM 0 HZ2 TRP B 5 6.181 -0.273 -23.706 1.00 0.31 H new ATOM 0 HZ3 TRP B 5 6.262 3.341 -21.418 1.00 33.24 H new ATOM 0 HH2 TRP B 5 5.103 1.803 -22.950 1.00 33.15 H new ATOM 338 N LYS B 6 12.590 4.013 -19.453 1.00 53.24 N ATOM 339 CA LYS B 6 13.829 4.522 -18.878 1.00 62.22 C ATOM 340 C LYS B 6 13.707 4.667 -17.365 1.00 25.54 C ATOM 341 O LYS B 6 13.849 3.692 -16.625 1.00 42.42 O ATOM 342 CB LYS B 6 14.189 5.872 -19.503 1.00 23.31 C ATOM 343 CG LYS B 6 15.059 5.756 -20.743 1.00 33.51 C ATOM 344 CD LYS B 6 14.579 4.642 -21.658 1.00 73.41 C ATOM 345 CE LYS B 6 15.042 4.858 -23.090 1.00 42.45 C ATOM 346 NZ LYS B 6 16.522 4.750 -23.217 1.00 50.10 N ATOM 0 H LYS B 6 11.776 4.606 -19.291 1.00 53.24 H new ATOM 0 HA LYS B 6 14.622 3.806 -19.094 1.00 62.22 H new ATOM 0 HB2 LYS B 6 13.271 6.399 -19.762 1.00 23.31 H new ATOM 0 HB3 LYS B 6 14.707 6.480 -18.761 1.00 23.31 H new ATOM 0 HG2 LYS B 6 15.051 6.702 -21.284 1.00 33.51 H new ATOM 0 HG3 LYS B 6 16.091 5.567 -20.448 1.00 33.51 H new ATOM 0 HD2 LYS B 6 14.953 3.685 -21.294 1.00 73.41 H new ATOM 0 HD3 LYS B 6 13.491 4.591 -21.630 1.00 73.41 H new ATOM 0 HE2 LYS B 6 14.567 4.123 -23.740 1.00 42.45 H new ATOM 0 HE3 LYS B 6 14.719 5.841 -23.432 1.00 42.45 H new ATOM 0 HZ1 LYS B 6 16.796 4.887 -24.211 1.00 50.10 H new ATOM 0 HZ2 LYS B 6 16.975 5.479 -22.630 1.00 50.10 H new ATOM 0 HZ3 LYS B 6 16.830 3.809 -22.899 1.00 50.10 H new ATOM 360 N ARG B 7 13.443 5.887 -16.911 1.00 12.32 N ATOM 361 CA ARG B 7 13.302 6.159 -15.485 1.00 73.53 C ATOM 362 C ARG B 7 11.833 6.329 -15.107 1.00 43.32 C ATOM 363 O ARG B 7 11.186 5.389 -14.646 1.00 21.10 O ATOM 364 CB ARG B 7 14.087 7.414 -15.103 1.00 42.42 C ATOM 365 CG ARG B 7 15.594 7.218 -15.118 1.00 23.05 C ATOM 366 CD ARG B 7 16.282 8.247 -16.001 1.00 72.24 C ATOM 367 NE ARG B 7 17.700 7.951 -16.184 1.00 43.00 N ATOM 368 CZ ARG B 7 18.538 8.746 -16.840 1.00 3.12 C ATOM 369 NH1 ARG B 7 18.102 9.879 -17.372 1.00 45.52 N ATOM 370 NH2 ARG B 7 19.816 8.408 -16.964 1.00 15.33 N ATOM 0 H ARG B 7 13.322 6.704 -17.510 1.00 12.32 H new ATOM 0 HA ARG B 7 13.704 5.307 -14.937 1.00 73.53 H new ATOM 0 HB2 ARG B 7 13.827 8.218 -15.791 1.00 42.42 H new ATOM 0 HB3 ARG B 7 13.781 7.735 -14.107 1.00 42.42 H new ATOM 0 HG2 ARG B 7 15.982 7.292 -14.102 1.00 23.05 H new ATOM 0 HG3 ARG B 7 15.828 6.215 -15.476 1.00 23.05 H new ATOM 0 HD2 ARG B 7 15.790 8.277 -16.973 1.00 72.24 H new ATOM 0 HD3 ARG B 7 16.173 9.237 -15.557 1.00 72.24 H new ATOM 0 HE ARG B 7 18.067 7.086 -15.786 1.00 43.00 H new ATOM 0 HH11 ARG B 7 17.121 10.142 -17.278 1.00 45.52 H new ATOM 0 HH12 ARG B 7 18.747 10.488 -17.875 1.00 45.52 H new ATOM 0 HH21 ARG B 7 20.155 7.537 -16.555 1.00 15.33 H new ATOM 0 HH22 ARG B 7 20.459 9.019 -17.468 1.00 15.33 H new ATOM 384 N LYS B 8 11.313 7.536 -15.305 1.00 63.10 N ATOM 385 CA LYS B 8 9.922 7.831 -14.986 1.00 55.51 C ATOM 386 C LYS B 8 8.978 6.963 -15.812 1.00 31.12 C ATOM 387 O LYS B 8 8.409 7.417 -16.805 1.00 14.22 O ATOM 388 CB LYS B 8 9.622 9.311 -15.238 1.00 61.14 C ATOM 389 CG LYS B 8 9.853 10.194 -14.024 1.00 75.31 C ATOM 390 CD LYS B 8 11.317 10.214 -13.619 1.00 50.34 C ATOM 391 CE LYS B 8 12.186 10.837 -14.701 1.00 54.43 C ATOM 392 NZ LYS B 8 13.159 11.813 -14.138 1.00 23.14 N ATOM 0 H LYS B 8 11.835 8.326 -15.685 1.00 63.10 H new ATOM 0 HA LYS B 8 9.763 7.608 -13.931 1.00 55.51 H new ATOM 0 HB2 LYS B 8 10.246 9.665 -16.058 1.00 61.14 H new ATOM 0 HB3 LYS B 8 8.585 9.413 -15.559 1.00 61.14 H new ATOM 0 HG2 LYS B 8 9.521 11.209 -14.243 1.00 75.31 H new ATOM 0 HG3 LYS B 8 9.249 9.834 -13.191 1.00 75.31 H new ATOM 0 HD2 LYS B 8 11.431 10.775 -12.691 1.00 50.34 H new ATOM 0 HD3 LYS B 8 11.655 9.197 -13.420 1.00 50.34 H new ATOM 0 HE2 LYS B 8 12.725 10.052 -15.231 1.00 54.43 H new ATOM 0 HE3 LYS B 8 11.552 11.338 -15.433 1.00 54.43 H new ATOM 0 HZ1 LYS B 8 13.732 12.215 -14.907 1.00 23.14 H new ATOM 0 HZ2 LYS B 8 12.644 12.576 -13.654 1.00 23.14 H new ATOM 0 HZ3 LYS B 8 13.781 11.330 -13.459 1.00 23.14 H new ATOM 406 N CYS B 9 8.815 5.712 -15.395 1.00 22.14 N ATOM 407 CA CYS B 9 7.940 4.780 -16.094 1.00 73.44 C ATOM 408 C CYS B 9 6.694 5.490 -16.616 1.00 43.34 C ATOM 409 O CYS B 9 5.732 5.727 -15.886 1.00 31.51 O ATOM 410 CB CYS B 9 7.535 3.633 -15.166 1.00 14.00 C ATOM 411 SG CYS B 9 8.929 2.608 -14.598 1.00 63.10 S ATOM 0 H CYS B 9 9.278 5.320 -14.575 1.00 22.14 H new ATOM 0 HA CYS B 9 8.489 4.374 -16.944 1.00 73.44 H new ATOM 0 HB2 CYS B 9 7.024 4.047 -14.296 1.00 14.00 H new ATOM 0 HB3 CYS B 9 6.818 2.997 -15.684 1.00 14.00 H new ATOM 0 HG CYS B 9 9.227 1.735 -15.514 1.00 63.10 H new ATOM 416 N PRO B 10 6.712 5.840 -17.911 1.00 74.43 N ATOM 417 CA PRO B 10 5.592 6.527 -18.561 1.00 13.43 C ATOM 418 C PRO B 10 4.371 5.627 -18.719 1.00 24.32 C ATOM 419 O PRO B 10 3.262 5.992 -18.328 1.00 1.53 O ATOM 420 CB PRO B 10 6.156 6.908 -19.931 1.00 42.55 C ATOM 421 CG PRO B 10 7.236 5.914 -20.186 1.00 41.31 C ATOM 422 CD PRO B 10 7.826 5.590 -18.841 1.00 75.54 C ATOM 0 HA PRO B 10 5.243 7.378 -17.977 1.00 13.43 H new ATOM 0 HB2 PRO B 10 5.387 6.863 -20.702 1.00 42.55 H new ATOM 0 HB3 PRO B 10 6.547 7.926 -19.929 1.00 42.55 H new ATOM 0 HG2 PRO B 10 6.838 5.019 -20.663 1.00 41.31 H new ATOM 0 HG3 PRO B 10 7.992 6.323 -20.856 1.00 41.31 H new ATOM 0 HD2 PRO B 10 8.167 4.556 -18.790 1.00 75.54 H new ATOM 0 HD3 PRO B 10 8.686 6.221 -18.617 1.00 75.54 H new ATOM 430 N LEU B 11 4.583 4.448 -19.294 1.00 34.14 N ATOM 431 CA LEU B 11 3.499 3.494 -19.503 1.00 62.30 C ATOM 432 C LEU B 11 3.624 2.310 -18.549 1.00 12.22 C ATOM 433 O LEU B 11 2.763 2.094 -17.696 1.00 20.14 O ATOM 434 CB LEU B 11 3.502 2.999 -20.950 1.00 74.15 C ATOM 435 CG LEU B 11 2.213 2.333 -21.434 1.00 70.13 C ATOM 436 CD1 LEU B 11 2.147 2.338 -22.954 1.00 3.33 C ATOM 437 CD2 LEU B 11 2.114 0.912 -20.899 1.00 73.23 C ATOM 0 H LEU B 11 5.494 4.130 -19.623 1.00 34.14 H new ATOM 0 HA LEU B 11 2.556 4.002 -19.300 1.00 62.30 H new ATOM 0 HB2 LEU B 11 3.717 3.846 -21.602 1.00 74.15 H new ATOM 0 HB3 LEU B 11 4.321 2.289 -21.069 1.00 74.15 H new ATOM 0 HG LEU B 11 1.366 2.904 -21.052 1.00 70.13 H new ATOM 0 HD11 LEU B 11 1.223 1.860 -23.280 1.00 3.33 H new ATOM 0 HD12 LEU B 11 2.171 3.366 -23.316 1.00 3.33 H new ATOM 0 HD13 LEU B 11 3.000 1.792 -23.357 1.00 3.33 H new ATOM 0 HD21 LEU B 11 1.191 0.453 -21.253 1.00 73.23 H new ATOM 0 HD22 LEU B 11 2.966 0.331 -21.251 1.00 73.23 H new ATOM 0 HD23 LEU B 11 2.114 0.933 -19.809 1.00 73.23 H new ATOM 449 N PHE B 12 4.702 1.548 -18.698 1.00 21.14 N ATOM 450 CA PHE B 12 4.941 0.387 -17.848 1.00 74.32 C ATOM 451 C PHE B 12 5.195 0.812 -16.405 1.00 32.41 C ATOM 452 O PHE B 12 6.328 0.780 -15.927 1.00 61.23 O ATOM 453 CB PHE B 12 6.131 -0.419 -18.372 1.00 4.21 C ATOM 454 CG PHE B 12 7.462 0.184 -18.024 1.00 44.22 C ATOM 455 CD1 PHE B 12 7.714 1.525 -18.265 1.00 45.22 C ATOM 456 CD2 PHE B 12 8.461 -0.590 -17.456 1.00 2.22 C ATOM 457 CE1 PHE B 12 8.939 2.082 -17.947 1.00 14.11 C ATOM 458 CE2 PHE B 12 9.687 -0.038 -17.135 1.00 23.20 C ATOM 459 CZ PHE B 12 9.926 1.300 -17.380 1.00 32.10 C ATOM 0 H PHE B 12 5.424 1.713 -19.399 1.00 21.14 H new ATOM 0 HA PHE B 12 4.049 -0.239 -17.872 1.00 74.32 H new ATOM 0 HB2 PHE B 12 6.082 -1.430 -17.967 1.00 4.21 H new ATOM 0 HB3 PHE B 12 6.052 -0.506 -19.456 1.00 4.21 H new ATOM 0 HD1 PHE B 12 6.945 2.142 -18.706 1.00 45.22 H new ATOM 0 HD2 PHE B 12 8.280 -1.637 -17.262 1.00 2.22 H new ATOM 0 HE1 PHE B 12 9.124 3.128 -18.142 1.00 14.11 H new ATOM 0 HE2 PHE B 12 10.457 -0.653 -16.693 1.00 23.20 H new ATOM 0 HZ PHE B 12 10.883 1.734 -17.129 1.00 32.10 H new ATOM 469 N GLY B 13 4.130 1.210 -15.715 1.00 41.32 N ATOM 470 CA GLY B 13 4.258 1.637 -14.334 1.00 21.20 C ATOM 471 C GLY B 13 3.332 0.878 -13.405 1.00 33.13 C ATOM 472 O GLY B 13 3.562 -0.294 -13.107 1.00 30.40 O ATOM 0 H GLY B 13 3.181 1.244 -16.088 1.00 41.32 H new ATOM 0 HA2 GLY B 13 5.289 1.498 -14.008 1.00 21.20 H new ATOM 0 HA3 GLY B 13 4.043 2.703 -14.265 1.00 21.20 H new ATOM 476 N LYS B 14 2.281 1.547 -12.943 1.00 0.40 N ATOM 477 CA LYS B 14 1.316 0.930 -12.041 1.00 52.12 C ATOM 478 C LYS B 14 0.981 -0.489 -12.491 1.00 4.33 C ATOM 479 O LYS B 14 0.658 -1.349 -11.673 1.00 72.22 O ATOM 480 CB LYS B 14 0.038 1.770 -11.976 1.00 3.12 C ATOM 481 CG LYS B 14 0.267 3.188 -11.482 1.00 4.10 C ATOM 482 CD LYS B 14 0.932 3.202 -10.115 1.00 54.24 C ATOM 483 CE LYS B 14 1.016 4.612 -9.551 1.00 53.21 C ATOM 484 NZ LYS B 14 -0.130 4.918 -8.650 1.00 4.21 N ATOM 0 H LYS B 14 2.076 2.518 -13.179 1.00 0.40 H new ATOM 0 HA LYS B 14 1.763 0.882 -11.048 1.00 52.12 H new ATOM 0 HB2 LYS B 14 -0.413 1.808 -12.968 1.00 3.12 H new ATOM 0 HB3 LYS B 14 -0.678 1.276 -11.319 1.00 3.12 H new ATOM 0 HG2 LYS B 14 0.890 3.727 -12.196 1.00 4.10 H new ATOM 0 HG3 LYS B 14 -0.686 3.714 -11.429 1.00 4.10 H new ATOM 0 HD2 LYS B 14 0.370 2.568 -9.429 1.00 54.24 H new ATOM 0 HD3 LYS B 14 1.934 2.779 -10.192 1.00 54.24 H new ATOM 0 HE2 LYS B 14 1.951 4.729 -9.002 1.00 53.21 H new ATOM 0 HE3 LYS B 14 1.036 5.330 -10.370 1.00 53.21 H new ATOM 0 HZ1 LYS B 14 -0.036 5.888 -8.286 1.00 4.21 H new ATOM 0 HZ2 LYS B 14 -1.021 4.832 -9.180 1.00 4.21 H new ATOM 0 HZ3 LYS B 14 -0.134 4.249 -7.854 1.00 4.21 H new ATOM 498 N GLY B 15 1.063 -0.726 -13.797 1.00 1.15 N ATOM 499 CA GLY B 15 0.767 -2.042 -14.331 1.00 65.22 C ATOM 500 C GLY B 15 1.098 -3.153 -13.354 1.00 10.32 C ATOM 501 O GLY B 15 0.300 -4.066 -13.148 1.00 12.11 O ATOM 0 H GLY B 15 1.329 -0.030 -14.494 1.00 1.15 H new ATOM 0 HA2 GLY B 15 -0.290 -2.095 -14.592 1.00 65.22 H new ATOM 0 HA3 GLY B 15 1.331 -2.192 -15.252 1.00 65.22 H new ATOM 505 N GLY B 16 2.280 -3.076 -12.750 1.00 43.34 N ATOM 506 CA GLY B 16 2.695 -4.089 -11.798 1.00 74.41 C ATOM 507 C GLY B 16 2.467 -5.497 -12.314 1.00 2.44 C ATOM 508 O GLY B 16 3.418 -6.252 -12.515 1.00 71.12 O ATOM 0 H GLY B 16 2.958 -2.329 -12.903 1.00 43.34 H new ATOM 0 HA2 GLY B 16 3.752 -3.956 -11.568 1.00 74.41 H new ATOM 0 HA3 GLY B 16 2.147 -3.954 -10.866 1.00 74.41 H new TER 512 GLY B 16