USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 169:sc= -0.342 (180deg=-0.504) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0182) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -161:sc= 0.00238 (180deg=0) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 THR OG1 : rot 128:sc= 0.742 USER MOD Single : B 6 THR OG1 : rot 161:sc= 1.7 USER MOD Single : B 8 HIS : no HD1:sc= -0.916 X(o=-0.92,f=-0.45) USER MOD Single : B 9 ASN :FLIP amide:sc= -1.59 F(o=-2.2,f=-1.6) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.827 6.973 -1.679 1.00 3.00 N ATOM 2 CA VAL A 1 -0.156 6.368 -2.824 1.00 12.15 C ATOM 3 C VAL A 1 1.147 5.697 -2.405 1.00 60.45 C ATOM 4 O VAL A 1 1.774 6.093 -1.422 1.00 23.12 O ATOM 5 CB VAL A 1 0.145 7.413 -3.913 1.00 64.02 C ATOM 6 CG1 VAL A 1 -1.139 7.858 -4.598 1.00 1.04 C ATOM 7 CG2 VAL A 1 0.883 8.604 -3.321 1.00 65.55 C ATOM 0 H1 VAL A 1 -1.605 7.577 -2.012 1.00 3.00 H new ATOM 0 H2 VAL A 1 -1.208 6.225 -1.065 1.00 3.00 H new ATOM 0 H3 VAL A 1 -0.147 7.549 -1.143 1.00 3.00 H new ATOM 0 HA VAL A 1 -0.834 5.617 -3.229 1.00 12.15 H new ATOM 0 HB VAL A 1 0.788 6.953 -4.663 1.00 64.02 H new ATOM 0 HG11 VAL A 1 -0.905 8.597 -5.365 1.00 1.04 H new ATOM 0 HG12 VAL A 1 -1.623 6.997 -5.059 1.00 1.04 H new ATOM 0 HG13 VAL A 1 -1.810 8.299 -3.861 1.00 1.04 H new ATOM 0 HG21 VAL A 1 1.087 9.332 -4.106 1.00 65.55 H new ATOM 0 HG22 VAL A 1 0.268 9.066 -2.549 1.00 65.55 H new ATOM 0 HG23 VAL A 1 1.823 8.269 -2.884 1.00 65.55 H new ATOM 17 N ALA A 2 1.550 4.677 -3.157 1.00 13.41 N ATOM 18 CA ALA A 2 2.780 3.952 -2.865 1.00 52.42 C ATOM 19 C ALA A 2 3.805 4.140 -3.979 1.00 41.15 C ATOM 20 O ALA A 2 4.148 3.193 -4.686 1.00 74.40 O ATOM 21 CB ALA A 2 2.484 2.473 -2.662 1.00 54.34 C ATOM 0 H ALA A 2 1.042 4.335 -3.973 1.00 13.41 H new ATOM 0 HA ALA A 2 3.203 4.357 -1.946 1.00 52.42 H new ATOM 0 HB1 ALA A 2 3.411 1.943 -2.445 1.00 54.34 H new ATOM 0 HB2 ALA A 2 1.792 2.351 -1.828 1.00 54.34 H new ATOM 0 HB3 ALA A 2 2.036 2.064 -3.568 1.00 54.34 H new ATOM 27 N ARG A 3 4.290 5.369 -4.130 1.00 33.15 N ATOM 28 CA ARG A 3 5.274 5.681 -5.158 1.00 73.43 C ATOM 29 C ARG A 3 6.555 6.229 -4.536 1.00 31.15 C ATOM 30 O ARG A 3 7.567 6.394 -5.217 1.00 61.11 O ATOM 31 CB ARG A 3 4.702 6.694 -6.151 1.00 33.51 C ATOM 32 CG ARG A 3 3.194 6.859 -6.053 1.00 73.33 C ATOM 33 CD ARG A 3 2.679 7.881 -7.052 1.00 73.42 C ATOM 34 NE ARG A 3 1.368 7.517 -7.582 1.00 32.31 N ATOM 35 CZ ARG A 3 1.163 6.482 -8.390 1.00 75.45 C ATOM 36 NH1 ARG A 3 2.178 5.714 -8.758 1.00 3.43 N ATOM 37 NH2 ARG A 3 -0.061 6.215 -8.829 1.00 72.11 N ATOM 0 H ARG A 3 4.017 6.164 -3.553 1.00 33.15 H new ATOM 0 HA ARG A 3 5.514 4.759 -5.688 1.00 73.43 H new ATOM 0 HB2 ARG A 3 5.176 7.661 -5.984 1.00 33.51 H new ATOM 0 HB3 ARG A 3 4.960 6.383 -7.163 1.00 33.51 H new ATOM 0 HG2 ARG A 3 2.710 5.899 -6.231 1.00 73.33 H new ATOM 0 HG3 ARG A 3 2.926 7.169 -5.043 1.00 73.33 H new ATOM 0 HD2 ARG A 3 2.617 8.858 -6.572 1.00 73.42 H new ATOM 0 HD3 ARG A 3 3.389 7.974 -7.874 1.00 73.42 H new ATOM 0 HE ARG A 3 0.566 8.088 -7.318 1.00 32.31 H new ATOM 0 HH11 ARG A 3 3.119 5.917 -8.421 1.00 3.43 H new ATOM 0 HH12 ARG A 3 2.018 4.920 -9.378 1.00 3.43 H new ATOM 0 HH21 ARG A 3 -0.844 6.804 -8.546 1.00 72.11 H new ATOM 0 HH22 ARG A 3 -0.218 5.421 -9.449 1.00 72.11 H new ATOM 51 N GLY A 4 6.503 6.509 -3.238 1.00 70.31 N ATOM 52 CA GLY A 4 7.665 7.037 -2.545 1.00 10.21 C ATOM 53 C GLY A 4 8.577 5.943 -2.027 1.00 52.02 C ATOM 54 O GLY A 4 9.679 6.217 -1.552 1.00 44.44 O ATOM 0 H GLY A 4 5.677 6.380 -2.653 1.00 70.31 H new ATOM 0 HA2 GLY A 4 8.225 7.683 -3.221 1.00 10.21 H new ATOM 0 HA3 GLY A 4 7.336 7.657 -1.711 1.00 10.21 H new ATOM 58 N TRP A 5 8.117 4.700 -2.115 1.00 61.33 N ATOM 59 CA TRP A 5 8.898 3.561 -1.648 1.00 33.41 C ATOM 60 C TRP A 5 9.098 2.543 -2.766 1.00 33.12 C ATOM 61 O TRP A 5 10.134 1.881 -2.840 1.00 2.53 O ATOM 62 CB TRP A 5 8.209 2.898 -0.454 1.00 62.22 C ATOM 63 CG TRP A 5 8.778 3.318 0.868 1.00 72.32 C ATOM 64 CD1 TRP A 5 9.242 4.557 1.204 1.00 13.45 C ATOM 65 CD2 TRP A 5 8.942 2.497 2.029 1.00 42.33 C ATOM 66 NE1 TRP A 5 9.686 4.556 2.504 1.00 43.43 N ATOM 67 CE2 TRP A 5 9.512 3.305 3.033 1.00 61.12 C ATOM 68 CE3 TRP A 5 8.662 1.159 2.320 1.00 73.12 C ATOM 69 CZ2 TRP A 5 9.806 2.816 4.303 1.00 3.41 C ATOM 70 CZ3 TRP A 5 8.955 0.676 3.581 1.00 2.35 C ATOM 71 CH2 TRP A 5 9.522 1.503 4.560 1.00 51.44 C ATOM 0 H TRP A 5 7.207 4.456 -2.506 1.00 61.33 H new ATOM 0 HA TRP A 5 9.876 3.927 -1.336 1.00 33.41 H new ATOM 0 HB2 TRP A 5 7.146 3.139 -0.477 1.00 62.22 H new ATOM 0 HB3 TRP A 5 8.293 1.815 -0.550 1.00 62.22 H new ATOM 0 HD1 TRP A 5 9.258 5.412 0.545 1.00 13.45 H new ATOM 0 HE1 TRP A 5 10.081 5.357 2.996 1.00 43.43 H new ATOM 0 HE3 TRP A 5 8.224 0.514 1.572 1.00 73.12 H new ATOM 0 HZ2 TRP A 5 10.243 3.451 5.059 1.00 3.41 H new ATOM 0 HZ3 TRP A 5 8.743 -0.357 3.816 1.00 2.35 H new ATOM 0 HH2 TRP A 5 9.739 1.096 5.536 1.00 51.44 H new ATOM 82 N LYS A 6 8.100 2.421 -3.633 1.00 3.24 N ATOM 83 CA LYS A 6 8.164 1.485 -4.749 1.00 74.20 C ATOM 84 C LYS A 6 9.108 1.996 -5.834 1.00 31.32 C ATOM 85 O LYS A 6 10.041 1.300 -6.236 1.00 13.24 O ATOM 86 CB LYS A 6 6.769 1.260 -5.336 1.00 2.44 C ATOM 87 CG LYS A 6 6.165 -0.084 -4.969 1.00 34.54 C ATOM 88 CD LYS A 6 7.145 -1.221 -5.206 1.00 53.31 C ATOM 89 CE LYS A 6 6.483 -2.388 -5.920 1.00 14.41 C ATOM 90 NZ LYS A 6 6.002 -3.423 -4.963 1.00 55.14 N ATOM 0 H LYS A 6 7.235 2.960 -3.585 1.00 3.24 H new ATOM 0 HA LYS A 6 8.549 0.537 -4.373 1.00 74.20 H new ATOM 0 HB2 LYS A 6 6.106 2.053 -4.991 1.00 2.44 H new ATOM 0 HB3 LYS A 6 6.823 1.340 -6.422 1.00 2.44 H new ATOM 0 HG2 LYS A 6 5.864 -0.075 -3.921 1.00 34.54 H new ATOM 0 HG3 LYS A 6 5.263 -0.251 -5.558 1.00 34.54 H new ATOM 0 HD2 LYS A 6 7.986 -0.860 -5.799 1.00 53.31 H new ATOM 0 HD3 LYS A 6 7.549 -1.559 -4.252 1.00 53.31 H new ATOM 0 HE2 LYS A 6 5.644 -2.023 -6.512 1.00 14.41 H new ATOM 0 HE3 LYS A 6 7.192 -2.838 -6.615 1.00 14.41 H new ATOM 0 HZ1 LYS A 6 5.557 -4.202 -5.489 1.00 55.14 H new ATOM 0 HZ2 LYS A 6 6.806 -3.790 -4.415 1.00 55.14 H new ATOM 0 HZ3 LYS A 6 5.306 -3.001 -4.315 1.00 55.14 H new ATOM 104 N ARG A 7 8.858 3.213 -6.302 1.00 32.10 N ATOM 105 CA ARG A 7 9.685 3.817 -7.341 1.00 51.12 C ATOM 106 C ARG A 7 11.105 4.056 -6.834 1.00 71.40 C ATOM 107 O ARG A 7 12.040 4.199 -7.621 1.00 64.12 O ATOM 108 CB ARG A 7 9.070 5.137 -7.809 1.00 61.24 C ATOM 109 CG ARG A 7 9.820 5.782 -8.964 1.00 52.05 C ATOM 110 CD ARG A 7 9.745 4.930 -10.221 1.00 72.13 C ATOM 111 NE ARG A 7 11.052 4.767 -10.851 1.00 54.44 N ATOM 112 CZ ARG A 7 11.238 4.136 -12.005 1.00 23.54 C ATOM 113 NH1 ARG A 7 10.207 3.612 -12.652 1.00 13.44 N ATOM 114 NH2 ARG A 7 12.460 4.029 -12.514 1.00 31.51 N ATOM 0 H ARG A 7 8.090 3.801 -5.979 1.00 32.10 H new ATOM 0 HA ARG A 7 9.729 3.126 -8.183 1.00 51.12 H new ATOM 0 HB2 ARG A 7 8.038 4.960 -8.111 1.00 61.24 H new ATOM 0 HB3 ARG A 7 9.043 5.833 -6.971 1.00 61.24 H new ATOM 0 HG2 ARG A 7 9.401 6.768 -9.166 1.00 52.05 H new ATOM 0 HG3 ARG A 7 10.863 5.930 -8.685 1.00 52.05 H new ATOM 0 HD2 ARG A 7 9.339 3.950 -9.971 1.00 72.13 H new ATOM 0 HD3 ARG A 7 9.056 5.389 -10.930 1.00 72.13 H new ATOM 0 HE ARG A 7 11.867 5.159 -10.379 1.00 54.44 H new ATOM 0 HH11 ARG A 7 9.267 3.693 -12.264 1.00 13.44 H new ATOM 0 HH12 ARG A 7 10.353 3.128 -13.538 1.00 13.44 H new ATOM 0 HH21 ARG A 7 13.256 4.431 -12.019 1.00 31.51 H new ATOM 0 HH22 ARG A 7 12.603 3.544 -13.400 1.00 31.51 H new ATOM 128 N LYS A 8 11.257 4.098 -5.515 1.00 52.25 N ATOM 129 CA LYS A 8 12.562 4.319 -4.902 1.00 52.20 C ATOM 130 C LYS A 8 13.397 3.043 -4.927 1.00 54.05 C ATOM 131 O LYS A 8 13.489 2.331 -3.927 1.00 5.32 O ATOM 132 CB LYS A 8 12.395 4.804 -3.461 1.00 32.22 C ATOM 133 CG LYS A 8 12.552 6.306 -3.302 1.00 51.41 C ATOM 134 CD LYS A 8 11.396 7.058 -3.939 1.00 1.11 C ATOM 135 CE LYS A 8 11.341 8.502 -3.465 1.00 32.10 C ATOM 136 NZ LYS A 8 12.231 9.385 -4.270 1.00 63.32 N ATOM 0 H LYS A 8 10.493 3.982 -4.849 1.00 52.25 H new ATOM 0 HA LYS A 8 13.082 5.084 -5.478 1.00 52.20 H new ATOM 0 HB2 LYS A 8 11.410 4.510 -3.100 1.00 32.22 H new ATOM 0 HB3 LYS A 8 13.129 4.302 -2.830 1.00 32.22 H new ATOM 0 HG2 LYS A 8 12.611 6.556 -2.243 1.00 51.41 H new ATOM 0 HG3 LYS A 8 13.490 6.625 -3.757 1.00 51.41 H new ATOM 0 HD2 LYS A 8 11.499 7.034 -5.024 1.00 1.11 H new ATOM 0 HD3 LYS A 8 10.458 6.558 -3.696 1.00 1.11 H new ATOM 0 HE2 LYS A 8 10.315 8.866 -3.528 1.00 32.10 H new ATOM 0 HE3 LYS A 8 11.633 8.551 -2.416 1.00 32.10 H new ATOM 0 HZ1 LYS A 8 12.284 10.323 -3.825 1.00 63.32 H new ATOM 0 HZ2 LYS A 8 13.183 8.969 -4.316 1.00 63.32 H new ATOM 0 HZ3 LYS A 8 11.848 9.479 -5.232 1.00 63.32 H new ATOM 150 N CYS A 9 14.005 2.762 -6.075 1.00 13.33 N ATOM 151 CA CYS A 9 14.834 1.572 -6.228 1.00 75.22 C ATOM 152 C CYS A 9 16.153 1.728 -5.479 1.00 63.21 C ATOM 153 O CYS A 9 16.480 0.952 -4.580 1.00 2.11 O ATOM 154 CB CYS A 9 15.103 1.301 -7.709 1.00 51.45 C ATOM 155 SG CYS A 9 14.259 -0.160 -8.358 1.00 72.55 S ATOM 0 H CYS A 9 13.939 3.341 -6.912 1.00 13.33 H new ATOM 0 HA CYS A 9 14.294 0.726 -5.803 1.00 75.22 H new ATOM 0 HB2 CYS A 9 14.796 2.172 -8.288 1.00 51.45 H new ATOM 0 HB3 CYS A 9 16.176 1.183 -7.856 1.00 51.45 H new ATOM 0 HG CYS A 9 14.547 -0.304 -9.618 1.00 72.55 H new ATOM 161 N PRO A 10 16.932 2.752 -5.858 1.00 12.51 N ATOM 162 CA PRO A 10 18.229 3.033 -5.235 1.00 1.22 C ATOM 163 C PRO A 10 18.087 3.541 -3.805 1.00 55.43 C ATOM 164 O PRO A 10 19.080 3.715 -3.096 1.00 32.12 O ATOM 165 CB PRO A 10 18.825 4.120 -6.133 1.00 10.31 C ATOM 166 CG PRO A 10 17.647 4.787 -6.754 1.00 12.21 C ATOM 167 CD PRO A 10 16.606 3.715 -6.922 1.00 74.31 C ATOM 0 HA PRO A 10 18.847 2.138 -5.158 1.00 1.22 H new ATOM 0 HB2 PRO A 10 19.421 4.827 -5.556 1.00 10.31 H new ATOM 0 HB3 PRO A 10 19.482 3.692 -6.890 1.00 10.31 H new ATOM 0 HG2 PRO A 10 17.277 5.594 -6.122 1.00 12.21 H new ATOM 0 HG3 PRO A 10 17.910 5.229 -7.715 1.00 12.21 H new ATOM 0 HD2 PRO A 10 15.598 4.113 -6.808 1.00 74.31 H new ATOM 0 HD3 PRO A 10 16.658 3.256 -7.909 1.00 74.31 H new ATOM 175 N LEU A 11 16.850 3.778 -3.385 1.00 64.02 N ATOM 176 CA LEU A 11 16.578 4.266 -2.038 1.00 14.22 C ATOM 177 C LEU A 11 16.008 3.155 -1.161 1.00 21.33 C ATOM 178 O LEU A 11 16.601 2.785 -0.148 1.00 21.30 O ATOM 179 CB LEU A 11 15.602 5.443 -2.088 1.00 11.33 C ATOM 180 CG LEU A 11 16.215 6.810 -2.391 1.00 2.44 C ATOM 181 CD1 LEU A 11 15.155 7.898 -2.323 1.00 43.10 C ATOM 182 CD2 LEU A 11 17.352 7.111 -1.425 1.00 20.43 C ATOM 0 H LEU A 11 16.018 3.640 -3.959 1.00 64.02 H new ATOM 0 HA LEU A 11 17.519 4.601 -1.602 1.00 14.22 H new ATOM 0 HB2 LEU A 11 14.846 5.230 -2.844 1.00 11.33 H new ATOM 0 HB3 LEU A 11 15.086 5.503 -1.130 1.00 11.33 H new ATOM 0 HG LEU A 11 16.620 6.788 -3.403 1.00 2.44 H new ATOM 0 HD11 LEU A 11 15.610 8.864 -2.542 1.00 43.10 H new ATOM 0 HD12 LEU A 11 14.374 7.691 -3.055 1.00 43.10 H new ATOM 0 HD13 LEU A 11 14.720 7.920 -1.324 1.00 43.10 H new ATOM 0 HD21 LEU A 11 17.776 8.088 -1.656 1.00 20.43 H new ATOM 0 HD22 LEU A 11 16.971 7.113 -0.404 1.00 20.43 H new ATOM 0 HD23 LEU A 11 18.124 6.348 -1.523 1.00 20.43 H new ATOM 194 N PHE A 12 14.856 2.626 -1.558 1.00 11.02 N ATOM 195 CA PHE A 12 14.207 1.557 -0.809 1.00 34.33 C ATOM 196 C PHE A 12 14.687 0.189 -1.287 1.00 45.21 C ATOM 197 O PHE A 12 14.941 -0.707 -0.483 1.00 24.04 O ATOM 198 CB PHE A 12 12.687 1.655 -0.953 1.00 13.34 C ATOM 199 CG PHE A 12 11.961 0.417 -0.510 1.00 4.12 C ATOM 200 CD1 PHE A 12 11.538 0.277 0.801 1.00 2.30 C ATOM 201 CD2 PHE A 12 11.704 -0.609 -1.406 1.00 65.34 C ATOM 202 CE1 PHE A 12 10.871 -0.861 1.213 1.00 11.25 C ATOM 203 CE2 PHE A 12 11.036 -1.750 -1.001 1.00 3.54 C ATOM 204 CZ PHE A 12 10.620 -1.877 0.309 1.00 51.12 C ATOM 0 H PHE A 12 14.352 2.920 -2.395 1.00 11.02 H new ATOM 0 HA PHE A 12 14.474 1.670 0.242 1.00 34.33 H new ATOM 0 HB2 PHE A 12 12.329 2.504 -0.371 1.00 13.34 H new ATOM 0 HB3 PHE A 12 12.441 1.857 -1.996 1.00 13.34 H new ATOM 0 HD1 PHE A 12 11.732 1.068 1.511 1.00 2.30 H new ATOM 0 HD2 PHE A 12 12.029 -0.516 -2.432 1.00 65.34 H new ATOM 0 HE1 PHE A 12 10.546 -0.957 2.239 1.00 11.25 H new ATOM 0 HE2 PHE A 12 10.840 -2.541 -1.709 1.00 3.54 H new ATOM 0 HZ PHE A 12 10.099 -2.768 0.627 1.00 51.12 H new ATOM 214 N GLY A 13 14.809 0.038 -2.602 1.00 14.50 N ATOM 215 CA GLY A 13 15.257 -1.223 -3.164 1.00 33.21 C ATOM 216 C GLY A 13 16.664 -1.585 -2.729 1.00 74.54 C ATOM 217 O GLY A 13 16.869 -2.100 -1.630 1.00 14.33 O ATOM 0 H GLY A 13 14.606 0.765 -3.288 1.00 14.50 H new ATOM 0 HA2 GLY A 13 14.572 -2.015 -2.863 1.00 33.21 H new ATOM 0 HA3 GLY A 13 15.220 -1.166 -4.252 1.00 33.21 H new ATOM 221 N LYS A 14 17.636 -1.315 -3.594 1.00 41.12 N ATOM 222 CA LYS A 14 19.031 -1.616 -3.293 1.00 51.14 C ATOM 223 C LYS A 14 19.602 -0.612 -2.297 1.00 23.01 C ATOM 224 O LYS A 14 20.643 -0.851 -1.686 1.00 54.32 O ATOM 225 CB LYS A 14 19.864 -1.607 -4.577 1.00 62.33 C ATOM 226 CG LYS A 14 19.137 -2.188 -5.777 1.00 44.41 C ATOM 227 CD LYS A 14 20.068 -2.351 -6.967 1.00 60.34 C ATOM 228 CE LYS A 14 20.134 -3.799 -7.430 1.00 14.15 C ATOM 229 NZ LYS A 14 21.071 -3.974 -8.574 1.00 25.52 N ATOM 0 H LYS A 14 17.484 -0.889 -4.508 1.00 41.12 H new ATOM 0 HA LYS A 14 19.074 -2.609 -2.846 1.00 51.14 H new ATOM 0 HB2 LYS A 14 20.158 -0.582 -4.802 1.00 62.33 H new ATOM 0 HB3 LYS A 14 20.781 -2.172 -4.409 1.00 62.33 H new ATOM 0 HG2 LYS A 14 18.711 -3.156 -5.512 1.00 44.41 H new ATOM 0 HG3 LYS A 14 18.306 -1.538 -6.050 1.00 44.41 H new ATOM 0 HD2 LYS A 14 19.725 -1.721 -7.788 1.00 60.34 H new ATOM 0 HD3 LYS A 14 21.067 -2.008 -6.698 1.00 60.34 H new ATOM 0 HE2 LYS A 14 20.451 -4.431 -6.601 1.00 14.15 H new ATOM 0 HE3 LYS A 14 19.138 -4.133 -7.722 1.00 14.15 H new ATOM 0 HZ1 LYS A 14 21.087 -4.974 -8.860 1.00 25.52 H new ATOM 0 HZ2 LYS A 14 20.754 -3.390 -9.375 1.00 25.52 H new ATOM 0 HZ3 LYS A 14 22.027 -3.680 -8.288 1.00 25.52 H new ATOM 243 N GLY A 15 18.912 0.515 -2.137 1.00 20.24 N ATOM 244 CA GLY A 15 19.366 1.537 -1.213 1.00 62.31 C ATOM 245 C GLY A 15 19.616 0.991 0.178 1.00 61.43 C ATOM 246 O GLY A 15 20.429 1.531 0.929 1.00 13.30 O ATOM 0 H GLY A 15 18.048 0.737 -2.631 1.00 20.24 H new ATOM 0 HA2 GLY A 15 20.283 1.985 -1.594 1.00 62.31 H new ATOM 0 HA3 GLY A 15 18.621 2.331 -1.160 1.00 62.31 H new ATOM 250 N GLY A 16 18.913 -0.083 0.527 1.00 32.43 N ATOM 251 CA GLY A 16 19.077 -0.683 1.837 1.00 50.35 C ATOM 252 C GLY A 16 20.476 -1.221 2.059 1.00 62.11 C ATOM 253 O GLY A 16 21.412 -0.458 2.299 1.00 73.03 O ATOM 0 H GLY A 16 18.233 -0.547 -0.075 1.00 32.43 H new ATOM 0 HA2 GLY A 16 18.851 0.058 2.603 1.00 50.35 H new ATOM 0 HA3 GLY A 16 18.357 -1.493 1.955 1.00 50.35 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 17.272 1.523 4.705 1.00 31.34 N ATOM 259 CA LYS B 1 16.883 2.842 4.220 1.00 44.14 C ATOM 260 C LYS B 1 15.380 2.910 3.970 1.00 65.23 C ATOM 261 O LYS B 1 14.909 2.600 2.876 1.00 5.03 O ATOM 262 CB LYS B 1 17.641 3.179 2.934 1.00 44.12 C ATOM 263 CG LYS B 1 19.082 3.597 3.169 1.00 74.30 C ATOM 264 CD LYS B 1 19.489 4.737 2.251 1.00 52.42 C ATOM 265 CE LYS B 1 20.781 4.426 1.513 1.00 64.04 C ATOM 266 NZ LYS B 1 21.659 5.624 1.399 1.00 31.23 N ATOM 0 H1 LYS B 1 18.202 1.583 5.166 1.00 31.34 H new ATOM 0 H2 LYS B 1 16.567 1.183 5.391 1.00 31.34 H new ATOM 0 H3 LYS B 1 17.324 0.860 3.905 1.00 31.34 H new ATOM 0 HA LYS B 1 17.138 3.573 4.987 1.00 44.14 H new ATOM 0 HB2 LYS B 1 17.626 2.311 2.275 1.00 44.12 H new ATOM 0 HB3 LYS B 1 17.119 3.982 2.414 1.00 44.12 H new ATOM 0 HG2 LYS B 1 19.208 3.902 4.208 1.00 74.30 H new ATOM 0 HG3 LYS B 1 19.741 2.744 3.005 1.00 74.30 H new ATOM 0 HD2 LYS B 1 18.694 4.926 1.530 1.00 52.42 H new ATOM 0 HD3 LYS B 1 19.613 5.649 2.835 1.00 52.42 H new ATOM 0 HE2 LYS B 1 21.316 3.633 2.036 1.00 64.04 H new ATOM 0 HE3 LYS B 1 20.548 4.051 0.517 1.00 64.04 H new ATOM 0 HZ1 LYS B 1 22.529 5.369 0.890 1.00 31.23 H new ATOM 0 HZ2 LYS B 1 21.159 6.372 0.878 1.00 31.23 H new ATOM 0 HZ3 LYS B 1 21.903 5.968 2.350 1.00 31.23 H new ATOM 280 N TYR B 2 14.633 3.318 4.990 1.00 75.14 N ATOM 281 CA TYR B 2 13.183 3.424 4.880 1.00 71.03 C ATOM 282 C TYR B 2 12.725 4.863 5.102 1.00 30.14 C ATOM 283 O TYR B 2 12.113 5.472 4.226 1.00 43.21 O ATOM 284 CB TYR B 2 12.504 2.499 5.892 1.00 75.24 C ATOM 285 CG TYR B 2 13.429 2.017 6.987 1.00 1.33 C ATOM 286 CD1 TYR B 2 14.245 0.909 6.795 1.00 52.52 C ATOM 287 CD2 TYR B 2 13.486 2.668 8.212 1.00 53.11 C ATOM 288 CE1 TYR B 2 15.091 0.464 7.793 1.00 52.33 C ATOM 289 CE2 TYR B 2 14.329 2.232 9.215 1.00 53.34 C ATOM 290 CZ TYR B 2 15.129 1.129 9.000 1.00 54.44 C ATOM 291 OH TYR B 2 15.970 0.690 9.997 1.00 12.44 O ATOM 0 H TYR B 2 15.007 3.581 5.902 1.00 75.14 H new ATOM 0 HA TYR B 2 12.897 3.121 3.873 1.00 71.03 H new ATOM 0 HB2 TYR B 2 11.662 3.024 6.344 1.00 75.24 H new ATOM 0 HB3 TYR B 2 12.096 1.636 5.366 1.00 75.24 H new ATOM 0 HD1 TYR B 2 14.218 0.387 5.850 1.00 52.52 H new ATOM 0 HD2 TYR B 2 12.860 3.531 8.384 1.00 53.11 H new ATOM 0 HE1 TYR B 2 15.719 -0.399 7.628 1.00 52.33 H new ATOM 0 HE2 TYR B 2 14.362 2.751 10.161 1.00 53.34 H new ATOM 0 HH TYR B 2 15.877 1.269 10.782 1.00 12.44 H new ATOM 301 N GLU B 3 13.027 5.398 6.281 1.00 15.12 N ATOM 302 CA GLU B 3 12.647 6.764 6.619 1.00 51.41 C ATOM 303 C GLU B 3 13.157 7.747 5.569 1.00 1.44 C ATOM 304 O GLU B 3 12.434 8.648 5.144 1.00 53.22 O ATOM 305 CB GLU B 3 13.193 7.143 7.997 1.00 2.21 C ATOM 306 CG GLU B 3 14.697 6.971 8.124 1.00 13.10 C ATOM 307 CD GLU B 3 15.113 6.473 9.495 1.00 31.14 C ATOM 308 OE1 GLU B 3 15.067 5.245 9.719 1.00 20.33 O ATOM 309 OE2 GLU B 3 15.485 7.310 10.343 1.00 74.41 O ATOM 0 H GLU B 3 13.533 4.906 7.017 1.00 15.12 H new ATOM 0 HA GLU B 3 11.558 6.816 6.641 1.00 51.41 H new ATOM 0 HB2 GLU B 3 12.935 8.181 8.208 1.00 2.21 H new ATOM 0 HB3 GLU B 3 12.701 6.533 8.754 1.00 2.21 H new ATOM 0 HG2 GLU B 3 15.044 6.269 7.366 1.00 13.10 H new ATOM 0 HG3 GLU B 3 15.186 7.924 7.924 1.00 13.10 H new ATOM 316 N ILE B 4 14.407 7.566 5.156 1.00 62.15 N ATOM 317 CA ILE B 4 15.014 8.435 4.157 1.00 62.13 C ATOM 318 C ILE B 4 14.383 8.221 2.785 1.00 24.44 C ATOM 319 O ILE B 4 14.668 8.953 1.837 1.00 45.51 O ATOM 320 CB ILE B 4 16.533 8.199 4.053 1.00 62.42 C ATOM 321 CG1 ILE B 4 17.158 9.187 3.066 1.00 73.21 C ATOM 322 CG2 ILE B 4 16.819 6.767 3.630 1.00 5.44 C ATOM 323 CD1 ILE B 4 16.639 10.601 3.215 1.00 14.42 C ATOM 0 H ILE B 4 15.019 6.825 5.498 1.00 62.15 H new ATOM 0 HA ILE B 4 14.835 9.460 4.481 1.00 62.13 H new ATOM 0 HB ILE B 4 16.979 8.363 5.034 1.00 62.42 H new ATOM 0 HG12 ILE B 4 18.239 9.189 3.203 1.00 73.21 H new ATOM 0 HG13 ILE B 4 16.966 8.843 2.050 1.00 73.21 H new ATOM 0 HG21 ILE B 4 17.896 6.616 3.561 1.00 5.44 H new ATOM 0 HG22 ILE B 4 16.403 6.080 4.367 1.00 5.44 H new ATOM 0 HG23 ILE B 4 16.363 6.577 2.658 1.00 5.44 H new ATOM 0 HD11 ILE B 4 17.126 11.246 2.484 1.00 14.42 H new ATOM 0 HD12 ILE B 4 15.562 10.613 3.049 1.00 14.42 H new ATOM 0 HD13 ILE B 4 16.855 10.964 4.220 1.00 14.42 H new ATOM 335 N THR B 5 13.523 7.212 2.687 1.00 4.24 N ATOM 336 CA THR B 5 12.850 6.901 1.432 1.00 23.03 C ATOM 337 C THR B 5 11.469 7.544 1.374 1.00 44.35 C ATOM 338 O THR B 5 11.003 7.945 0.308 1.00 1.32 O ATOM 339 CB THR B 5 12.705 5.380 1.235 1.00 35.34 C ATOM 340 OG1 THR B 5 13.969 4.737 1.429 1.00 65.03 O ATOM 341 CG2 THR B 5 12.175 5.063 -0.156 1.00 21.53 C ATOM 0 H THR B 5 13.276 6.596 3.462 1.00 4.24 H new ATOM 0 HA THR B 5 13.470 7.306 0.632 1.00 23.03 H new ATOM 0 HB THR B 5 11.993 5.007 1.971 1.00 35.34 H new ATOM 0 HG1 THR B 5 13.868 4.005 2.073 1.00 65.03 H new ATOM 0 HG21 THR B 5 12.081 3.983 -0.272 1.00 21.53 H new ATOM 0 HG22 THR B 5 11.198 5.529 -0.288 1.00 21.53 H new ATOM 0 HG23 THR B 5 12.866 5.450 -0.905 1.00 21.53 H new ATOM 349 N THR B 6 10.817 7.640 2.529 1.00 63.53 N ATOM 350 CA THR B 6 9.489 8.234 2.610 1.00 43.54 C ATOM 351 C THR B 6 9.569 9.710 2.982 1.00 22.11 C ATOM 352 O THR B 6 8.794 10.528 2.485 1.00 50.31 O ATOM 353 CB THR B 6 8.608 7.503 3.641 1.00 64.24 C ATOM 354 OG1 THR B 6 9.421 6.674 4.479 1.00 44.33 O ATOM 355 CG2 THR B 6 7.555 6.654 2.947 1.00 74.41 C ATOM 0 H THR B 6 11.188 7.314 3.421 1.00 63.53 H new ATOM 0 HA THR B 6 9.038 8.135 1.623 1.00 43.54 H new ATOM 0 HB THR B 6 8.103 8.252 4.251 1.00 64.24 H new ATOM 0 HG1 THR B 6 8.933 6.463 5.302 1.00 44.33 H new ATOM 0 HG21 THR B 6 6.945 6.147 3.695 1.00 74.41 H new ATOM 0 HG22 THR B 6 6.920 7.292 2.333 1.00 74.41 H new ATOM 0 HG23 THR B 6 8.044 5.913 2.315 1.00 74.41 H new ATOM 363 N ILE B 7 10.510 10.044 3.858 1.00 34.42 N ATOM 364 CA ILE B 7 10.691 11.424 4.294 1.00 4.31 C ATOM 365 C ILE B 7 11.156 12.308 3.142 1.00 21.24 C ATOM 366 O ILE B 7 10.769 13.473 3.044 1.00 21.14 O ATOM 367 CB ILE B 7 11.710 11.520 5.445 1.00 44.31 C ATOM 368 CG1 ILE B 7 11.196 10.769 6.675 1.00 24.42 C ATOM 369 CG2 ILE B 7 11.987 12.978 5.786 1.00 73.41 C ATOM 370 CD1 ILE B 7 12.228 10.628 7.772 1.00 40.12 C ATOM 0 H ILE B 7 11.159 9.379 4.280 1.00 34.42 H new ATOM 0 HA ILE B 7 9.721 11.774 4.648 1.00 4.31 H new ATOM 0 HB ILE B 7 12.643 11.057 5.124 1.00 44.31 H new ATOM 0 HG12 ILE B 7 10.325 11.291 7.072 1.00 24.42 H new ATOM 0 HG13 ILE B 7 10.862 9.777 6.372 1.00 24.42 H new ATOM 0 HG21 ILE B 7 12.709 13.030 6.601 1.00 73.41 H new ATOM 0 HG22 ILE B 7 12.391 13.486 4.910 1.00 73.41 H new ATOM 0 HG23 ILE B 7 11.060 13.463 6.091 1.00 73.41 H new ATOM 0 HD11 ILE B 7 11.794 10.086 8.612 1.00 40.12 H new ATOM 0 HD12 ILE B 7 13.090 10.080 7.392 1.00 40.12 H new ATOM 0 HD13 ILE B 7 12.544 11.617 8.103 1.00 40.12 H new ATOM 382 N HIS B 8 11.988 11.747 2.271 1.00 32.25 N ATOM 383 CA HIS B 8 12.505 12.483 1.123 1.00 74.41 C ATOM 384 C HIS B 8 11.472 12.538 0.002 1.00 43.21 C ATOM 385 O HIS B 8 11.674 13.208 -1.009 1.00 13.54 O ATOM 386 CB HIS B 8 13.794 11.838 0.614 1.00 44.20 C ATOM 387 CG HIS B 8 14.912 12.813 0.410 1.00 64.53 C ATOM 388 ND1 HIS B 8 14.706 14.150 0.141 1.00 70.32 N ATOM 389 CD2 HIS B 8 16.255 12.639 0.438 1.00 63.12 C ATOM 390 CE1 HIS B 8 15.872 14.757 0.012 1.00 33.42 C ATOM 391 NE2 HIS B 8 16.828 13.862 0.187 1.00 62.24 N ATOM 0 H HIS B 8 12.319 10.785 2.338 1.00 32.25 H new ATOM 0 HA HIS B 8 12.721 13.502 1.444 1.00 74.41 H new ATOM 0 HB2 HIS B 8 14.113 11.075 1.324 1.00 44.20 H new ATOM 0 HB3 HIS B 8 13.589 11.331 -0.329 1.00 44.20 H new ATOM 0 HD2 HIS B 8 16.778 11.712 0.623 1.00 63.12 H new ATOM 0 HE1 HIS B 8 16.019 15.806 -0.200 1.00 33.42 H new ATOM 0 HE2 HIS B 8 17.830 14.049 0.143 1.00 62.24 H new ATOM 399 N ASN B 9 10.365 11.826 0.189 1.00 60.42 N ATOM 400 CA ASN B 9 9.301 11.792 -0.807 1.00 0.42 C ATOM 401 C ASN B 9 7.986 12.293 -0.216 1.00 22.32 C ATOM 402 O ASN B 9 6.963 12.344 -0.902 1.00 75.41 O ATOM 403 CB ASN B 9 9.121 10.371 -1.344 1.00 60.52 C ATOM 404 CG ASN B 9 8.197 10.318 -2.545 1.00 42.41 C ATOM 405 OD1 ASN B 9 6.934 9.984 -2.304 1.00 11.41 O flip ATOM 406 ND2 ASN B 9 8.612 10.576 -3.675 1.00 30.03 N flip ATOM 0 H ASN B 9 10.182 11.265 1.021 1.00 60.42 H new ATOM 0 HA ASN B 9 9.585 12.451 -1.628 1.00 0.42 H new ATOM 0 HB2 ASN B 9 10.094 9.964 -1.620 1.00 60.52 H new ATOM 0 HB3 ASN B 9 8.722 9.735 -0.554 1.00 60.52 H new ATOM 0 HD21 ASN B 9 9.591 10.828 -3.814 1.00 30.03 H new ATOM 0 HD22 ASN B 9 7.977 10.538 -4.472 1.00 30.03 H new ATOM 413 N LEU B 10 8.019 12.662 1.059 1.00 12.12 N ATOM 414 CA LEU B 10 6.832 13.160 1.743 1.00 31.05 C ATOM 415 C LEU B 10 7.064 14.567 2.284 1.00 32.23 C ATOM 416 O LEU B 10 6.116 15.290 2.593 1.00 13.21 O ATOM 417 CB LEU B 10 6.444 12.220 2.886 1.00 41.42 C ATOM 418 CG LEU B 10 7.173 12.441 4.213 1.00 74.24 C ATOM 419 CD1 LEU B 10 6.457 13.494 5.046 1.00 22.24 C ATOM 420 CD2 LEU B 10 7.285 11.134 4.984 1.00 43.22 C ATOM 0 H LEU B 10 8.856 12.626 1.641 1.00 12.12 H new ATOM 0 HA LEU B 10 6.017 13.198 1.020 1.00 31.05 H new ATOM 0 HB2 LEU B 10 5.373 12.317 3.062 1.00 41.42 H new ATOM 0 HB3 LEU B 10 6.622 11.194 2.563 1.00 41.42 H new ATOM 0 HG LEU B 10 8.179 12.800 3.998 1.00 74.24 H new ATOM 0 HD11 LEU B 10 6.989 13.638 5.986 1.00 22.24 H new ATOM 0 HD12 LEU B 10 6.429 14.435 4.497 1.00 22.24 H new ATOM 0 HD13 LEU B 10 5.439 13.164 5.253 1.00 22.24 H new ATOM 0 HD21 LEU B 10 7.806 11.310 5.925 1.00 43.22 H new ATOM 0 HD22 LEU B 10 6.287 10.746 5.189 1.00 43.22 H new ATOM 0 HD23 LEU B 10 7.842 10.408 4.391 1.00 43.22 H new ATOM 432 N PHE B 11 8.331 14.951 2.394 1.00 40.31 N ATOM 433 CA PHE B 11 8.689 16.273 2.896 1.00 11.11 C ATOM 434 C PHE B 11 7.953 17.365 2.125 1.00 24.41 C ATOM 435 O PHE B 11 7.695 18.447 2.653 1.00 61.42 O ATOM 436 CB PHE B 11 10.200 16.489 2.792 1.00 34.23 C ATOM 437 CG PHE B 11 10.875 16.650 4.124 1.00 65.12 C ATOM 438 CD1 PHE B 11 10.513 15.855 5.200 1.00 12.41 C ATOM 439 CD2 PHE B 11 11.874 17.595 4.300 1.00 35.22 C ATOM 440 CE1 PHE B 11 11.133 15.999 6.427 1.00 72.21 C ATOM 441 CE2 PHE B 11 12.497 17.744 5.525 1.00 61.44 C ATOM 442 CZ PHE B 11 12.126 16.946 6.590 1.00 50.12 C ATOM 0 H PHE B 11 9.128 14.366 2.142 1.00 40.31 H new ATOM 0 HA PHE B 11 8.392 16.329 3.943 1.00 11.11 H new ATOM 0 HB2 PHE B 11 10.645 15.643 2.268 1.00 34.23 H new ATOM 0 HB3 PHE B 11 10.392 17.375 2.187 1.00 34.23 H new ATOM 0 HD1 PHE B 11 9.737 15.114 5.078 1.00 12.41 H new ATOM 0 HD2 PHE B 11 12.169 18.222 3.471 1.00 35.22 H new ATOM 0 HE1 PHE B 11 10.842 15.372 7.257 1.00 72.21 H new ATOM 0 HE2 PHE B 11 13.274 18.484 5.649 1.00 61.44 H new ATOM 0 HZ PHE B 11 12.611 17.062 7.548 1.00 50.12 H new ATOM 452 N ARG B 12 7.618 17.074 0.873 1.00 1.31 N ATOM 453 CA ARG B 12 6.914 18.030 0.028 1.00 12.33 C ATOM 454 C ARG B 12 5.539 18.356 0.604 1.00 13.44 C ATOM 455 O ARG B 12 5.259 19.500 0.963 1.00 72.44 O ATOM 456 CB ARG B 12 6.766 17.477 -1.391 1.00 53.25 C ATOM 457 CG ARG B 12 8.063 17.477 -2.184 1.00 31.52 C ATOM 458 CD ARG B 12 8.538 18.892 -2.473 1.00 15.12 C ATOM 459 NE ARG B 12 9.269 18.977 -3.735 1.00 35.11 N ATOM 460 CZ ARG B 12 9.816 20.097 -4.194 1.00 0.10 C ATOM 461 NH1 ARG B 12 9.716 21.221 -3.499 1.00 63.31 N ATOM 462 NH2 ARG B 12 10.465 20.094 -5.351 1.00 51.11 N ATOM 0 H ARG B 12 7.823 16.183 0.421 1.00 1.31 H new ATOM 0 HA ARG B 12 7.501 18.948 -0.006 1.00 12.33 H new ATOM 0 HB2 ARG B 12 6.384 16.458 -1.336 1.00 53.25 H new ATOM 0 HB3 ARG B 12 6.023 18.068 -1.926 1.00 53.25 H new ATOM 0 HG2 ARG B 12 8.831 16.941 -1.627 1.00 31.52 H new ATOM 0 HG3 ARG B 12 7.917 16.942 -3.122 1.00 31.52 H new ATOM 0 HD2 ARG B 12 7.680 19.563 -2.505 1.00 15.12 H new ATOM 0 HD3 ARG B 12 9.178 19.233 -1.659 1.00 15.12 H new ATOM 0 HE ARG B 12 9.365 18.130 -4.295 1.00 35.11 H new ATOM 0 HH11 ARG B 12 9.218 21.228 -2.609 1.00 63.31 H new ATOM 0 HH12 ARG B 12 10.137 22.079 -3.854 1.00 63.31 H new ATOM 0 HH21 ARG B 12 10.544 19.231 -5.889 1.00 51.11 H new ATOM 0 HH22 ARG B 12 10.885 20.955 -5.703 1.00 51.11 H new ATOM 476 N LYS B 13 4.684 17.343 0.690 1.00 11.54 N ATOM 477 CA LYS B 13 3.339 17.519 1.223 1.00 32.10 C ATOM 478 C LYS B 13 3.095 16.587 2.406 1.00 13.04 C ATOM 479 O LYS B 13 2.233 15.709 2.350 1.00 24.23 O ATOM 480 CB LYS B 13 2.297 17.258 0.133 1.00 12.11 C ATOM 481 CG LYS B 13 2.055 18.453 -0.774 1.00 23.41 C ATOM 482 CD LYS B 13 0.987 18.156 -1.814 1.00 13.50 C ATOM 483 CE LYS B 13 0.728 19.360 -2.706 1.00 25.31 C ATOM 484 NZ LYS B 13 -0.612 19.960 -2.451 1.00 72.55 N ATOM 0 H LYS B 13 4.899 16.390 0.397 1.00 11.54 H new ATOM 0 HA LYS B 13 3.245 18.549 1.568 1.00 32.10 H new ATOM 0 HB2 LYS B 13 2.621 16.412 -0.473 1.00 12.11 H new ATOM 0 HB3 LYS B 13 1.356 16.972 0.602 1.00 12.11 H new ATOM 0 HG2 LYS B 13 1.751 19.311 -0.174 1.00 23.41 H new ATOM 0 HG3 LYS B 13 2.985 18.726 -1.273 1.00 23.41 H new ATOM 0 HD2 LYS B 13 1.299 17.309 -2.425 1.00 13.50 H new ATOM 0 HD3 LYS B 13 0.062 17.866 -1.315 1.00 13.50 H new ATOM 0 HE2 LYS B 13 1.500 20.110 -2.537 1.00 25.31 H new ATOM 0 HE3 LYS B 13 0.799 19.060 -3.751 1.00 25.31 H new ATOM 0 HZ1 LYS B 13 -0.751 20.778 -3.078 1.00 72.55 H new ATOM 0 HZ2 LYS B 13 -1.351 19.252 -2.637 1.00 72.55 H new ATOM 0 HZ3 LYS B 13 -0.671 20.270 -1.460 1.00 72.55 H new ATOM 498 N LEU B 14 3.858 16.784 3.475 1.00 52.22 N ATOM 499 CA LEU B 14 3.725 15.962 4.673 1.00 14.12 C ATOM 500 C LEU B 14 2.304 16.032 5.226 1.00 60.32 C ATOM 501 O LEU B 14 2.046 16.714 6.218 1.00 12.42 O ATOM 502 CB LEU B 14 4.722 16.415 5.740 1.00 51.34 C ATOM 503 CG LEU B 14 5.099 17.897 5.721 1.00 62.44 C ATOM 504 CD1 LEU B 14 3.854 18.765 5.792 1.00 62.31 C ATOM 505 CD2 LEU B 14 6.045 18.221 6.869 1.00 63.30 C ATOM 0 H LEU B 14 4.576 17.506 3.537 1.00 52.22 H new ATOM 0 HA LEU B 14 3.939 14.929 4.400 1.00 14.12 H new ATOM 0 HB2 LEU B 14 4.307 16.179 6.720 1.00 51.34 H new ATOM 0 HB3 LEU B 14 5.633 15.827 5.630 1.00 51.34 H new ATOM 0 HG LEU B 14 5.612 18.110 4.783 1.00 62.44 H new ATOM 0 HD11 LEU B 14 4.142 19.816 5.777 1.00 62.31 H new ATOM 0 HD12 LEU B 14 3.213 18.552 4.936 1.00 62.31 H new ATOM 0 HD13 LEU B 14 3.313 18.550 6.713 1.00 62.31 H new ATOM 0 HD21 LEU B 14 6.303 19.280 6.840 1.00 63.30 H new ATOM 0 HD22 LEU B 14 5.559 17.992 7.817 1.00 63.30 H new ATOM 0 HD23 LEU B 14 6.952 17.624 6.773 1.00 63.30 H new ATOM 517 N THR B 15 1.387 15.320 4.578 1.00 35.20 N ATOM 518 CA THR B 15 -0.006 15.300 5.004 1.00 71.31 C ATOM 519 C THR B 15 -0.497 13.872 5.212 1.00 61.23 C ATOM 520 O THR B 15 -1.264 13.597 6.136 1.00 50.15 O ATOM 521 CB THR B 15 -0.918 16.000 3.979 1.00 0.12 C ATOM 522 OG1 THR B 15 -1.088 17.376 4.333 1.00 43.52 O ATOM 523 CG2 THR B 15 -2.276 15.317 3.908 1.00 64.34 C ATOM 0 H THR B 15 1.585 14.750 3.756 1.00 35.20 H new ATOM 0 HA THR B 15 -0.054 15.840 5.950 1.00 71.31 H new ATOM 0 HB THR B 15 -0.444 15.934 3.000 1.00 0.12 H new ATOM 0 HG1 THR B 15 -1.668 17.814 3.675 1.00 43.52 H new ATOM 0 HG21 THR B 15 -2.903 15.829 3.178 1.00 64.34 H new ATOM 0 HG22 THR B 15 -2.145 14.277 3.609 1.00 64.34 H new ATOM 0 HG23 THR B 15 -2.754 15.355 4.887 1.00 64.34 H new ATOM 531 N HIS B 16 -0.050 12.965 4.350 1.00 53.20 N ATOM 532 CA HIS B 16 -0.443 11.563 4.440 1.00 70.54 C ATOM 533 C HIS B 16 0.420 10.822 5.456 1.00 64.30 C ATOM 534 O HIS B 16 1.648 10.830 5.365 1.00 55.32 O ATOM 535 CB HIS B 16 -0.333 10.892 3.072 1.00 12.51 C ATOM 536 CG HIS B 16 -1.184 11.533 2.019 1.00 41.10 C ATOM 537 ND1 HIS B 16 -2.542 11.320 1.917 1.00 2.14 N ATOM 538 CD2 HIS B 16 -0.862 12.387 1.020 1.00 23.11 C ATOM 539 CE1 HIS B 16 -3.019 12.014 0.899 1.00 64.34 C ATOM 540 NE2 HIS B 16 -2.019 12.671 0.338 1.00 54.30 N ATOM 0 H HIS B 16 0.585 13.176 3.580 1.00 53.20 H new ATOM 0 HA HIS B 16 -1.480 11.522 4.773 1.00 70.54 H new ATOM 0 HB2 HIS B 16 0.708 10.913 2.749 1.00 12.51 H new ATOM 0 HB3 HIS B 16 -0.616 9.844 3.167 1.00 12.51 H new ATOM 0 HD2 HIS B 16 0.122 12.773 0.800 1.00 23.11 H new ATOM 0 HE1 HIS B 16 -4.050 12.040 0.580 1.00 64.34 H new ATOM 0 HE2 HIS B 16 -2.095 13.289 -0.470 1.00 54.30 H new ATOM 548 N ARG B 17 -0.229 10.182 6.423 1.00 33.12 N ATOM 549 CA ARG B 17 0.480 9.437 7.456 1.00 72.52 C ATOM 550 C ARG B 17 0.973 8.097 6.919 1.00 11.05 C ATOM 551 O ARG B 17 1.536 7.288 7.659 1.00 74.14 O ATOM 552 CB ARG B 17 -0.430 9.210 8.666 1.00 13.15 C ATOM 553 CG ARG B 17 -1.136 10.469 9.141 1.00 65.24 C ATOM 554 CD ARG B 17 -2.625 10.420 8.838 1.00 13.41 C ATOM 555 NE ARG B 17 -3.416 11.080 9.874 1.00 22.45 N ATOM 556 CZ ARG B 17 -3.501 12.399 10.005 1.00 70.41 C ATOM 557 NH1 ARG B 17 -2.847 13.195 9.172 1.00 51.12 N ATOM 558 NH2 ARG B 17 -4.242 12.924 10.973 1.00 73.41 N ATOM 0 H ARG B 17 -1.245 10.164 6.513 1.00 33.12 H new ATOM 0 HA ARG B 17 1.344 10.025 7.764 1.00 72.52 H new ATOM 0 HB2 ARG B 17 -1.177 8.458 8.412 1.00 13.15 H new ATOM 0 HB3 ARG B 17 0.164 8.805 9.486 1.00 13.15 H new ATOM 0 HG2 ARG B 17 -0.986 10.589 10.214 1.00 65.24 H new ATOM 0 HG3 ARG B 17 -0.694 11.340 8.658 1.00 65.24 H new ATOM 0 HD2 ARG B 17 -2.815 10.898 7.877 1.00 13.41 H new ATOM 0 HD3 ARG B 17 -2.942 9.381 8.746 1.00 13.41 H new ATOM 0 HE ARG B 17 -3.931 10.496 10.533 1.00 22.45 H new ATOM 0 HH11 ARG B 17 -2.276 12.795 8.427 1.00 51.12 H new ATOM 0 HH12 ARG B 17 -2.914 14.207 9.275 1.00 51.12 H new ATOM 0 HH21 ARG B 17 -4.746 12.314 11.617 1.00 73.41 H new ATOM 0 HH22 ARG B 17 -4.307 13.937 11.073 1.00 73.41 H new ATOM 572 N LEU B 18 0.759 7.868 5.629 1.00 24.12 N ATOM 573 CA LEU B 18 1.182 6.626 4.992 1.00 72.32 C ATOM 574 C LEU B 18 2.639 6.316 5.315 1.00 34.22 C ATOM 575 O LEU B 18 3.061 5.160 5.286 1.00 41.44 O ATOM 576 CB LEU B 18 0.992 6.716 3.476 1.00 60.54 C ATOM 577 CG LEU B 18 1.607 7.940 2.795 1.00 31.05 C ATOM 578 CD1 LEU B 18 3.061 7.675 2.433 1.00 23.11 C ATOM 579 CD2 LEU B 18 0.808 8.318 1.556 1.00 3.40 C ATOM 0 H LEU B 18 0.295 8.526 5.003 1.00 24.12 H new ATOM 0 HA LEU B 18 0.563 5.818 5.383 1.00 72.32 H new ATOM 0 HB2 LEU B 18 1.417 5.821 3.023 1.00 60.54 H new ATOM 0 HB3 LEU B 18 -0.077 6.705 3.262 1.00 60.54 H new ATOM 0 HG LEU B 18 1.574 8.776 3.494 1.00 31.05 H new ATOM 0 HD11 LEU B 18 3.482 8.557 1.950 1.00 23.11 H new ATOM 0 HD12 LEU B 18 3.626 7.452 3.338 1.00 23.11 H new ATOM 0 HD13 LEU B 18 3.117 6.826 1.752 1.00 23.11 H new ATOM 0 HD21 LEU B 18 1.260 9.191 1.084 1.00 3.40 H new ATOM 0 HD22 LEU B 18 0.809 7.484 0.854 1.00 3.40 H new ATOM 0 HD23 LEU B 18 -0.218 8.550 1.842 1.00 3.40 H new ATOM 591 N PHE B 19 3.405 7.357 5.626 1.00 11.44 N ATOM 592 CA PHE B 19 4.816 7.197 5.957 1.00 74.13 C ATOM 593 C PHE B 19 5.011 6.080 6.978 1.00 51.34 C ATOM 594 O PHE B 19 5.723 5.108 6.723 1.00 10.43 O ATOM 595 CB PHE B 19 5.386 8.507 6.502 1.00 65.41 C ATOM 596 CG PHE B 19 6.730 8.350 7.156 1.00 31.01 C ATOM 597 CD1 PHE B 19 7.650 7.435 6.669 1.00 15.02 C ATOM 598 CD2 PHE B 19 7.073 9.119 8.257 1.00 62.24 C ATOM 599 CE1 PHE B 19 8.887 7.289 7.268 1.00 51.10 C ATOM 600 CE2 PHE B 19 8.308 8.977 8.860 1.00 43.03 C ATOM 601 CZ PHE B 19 9.216 8.060 8.366 1.00 42.35 C ATOM 0 H PHE B 19 3.072 8.321 5.656 1.00 11.44 H new ATOM 0 HA PHE B 19 5.349 6.929 5.045 1.00 74.13 H new ATOM 0 HB2 PHE B 19 5.469 9.225 5.686 1.00 65.41 H new ATOM 0 HB3 PHE B 19 4.686 8.926 7.225 1.00 65.41 H new ATOM 0 HD1 PHE B 19 7.397 6.829 5.811 1.00 15.02 H new ATOM 0 HD2 PHE B 19 6.367 9.837 8.648 1.00 62.24 H new ATOM 0 HE1 PHE B 19 9.595 6.573 6.878 1.00 51.10 H new ATOM 0 HE2 PHE B 19 8.564 9.582 9.717 1.00 43.03 H new ATOM 0 HZ PHE B 19 10.181 7.946 8.837 1.00 42.35 H new ATOM 611 N ARG B 20 4.376 6.226 8.135 1.00 54.34 N ATOM 612 CA ARG B 20 4.480 5.232 9.197 1.00 72.41 C ATOM 613 C ARG B 20 3.180 4.446 9.335 1.00 44.41 C ATOM 614 O ARG B 20 3.187 3.282 9.737 1.00 12.14 O ATOM 615 CB ARG B 20 4.822 5.909 10.526 1.00 55.44 C ATOM 616 CG ARG B 20 3.718 6.809 11.054 1.00 51.22 C ATOM 617 CD ARG B 20 4.269 7.887 11.973 1.00 41.24 C ATOM 618 NE ARG B 20 3.206 8.660 12.609 1.00 63.53 N ATOM 619 CZ ARG B 20 2.513 8.232 13.658 1.00 71.21 C ATOM 620 NH1 ARG B 20 2.768 7.042 14.185 1.00 73.22 N ATOM 621 NH2 ARG B 20 1.560 8.993 14.182 1.00 23.14 N ATOM 0 H ARG B 20 3.783 7.024 8.362 1.00 54.34 H new ATOM 0 HA ARG B 20 5.278 4.538 8.934 1.00 72.41 H new ATOM 0 HB2 ARG B 20 5.040 5.142 11.269 1.00 55.44 H new ATOM 0 HB3 ARG B 20 5.730 6.498 10.400 1.00 55.44 H new ATOM 0 HG2 ARG B 20 3.196 7.274 10.218 1.00 51.22 H new ATOM 0 HG3 ARG B 20 2.985 6.209 11.594 1.00 51.22 H new ATOM 0 HD2 ARG B 20 4.891 7.426 12.740 1.00 41.24 H new ATOM 0 HD3 ARG B 20 4.912 8.557 11.402 1.00 41.24 H new ATOM 0 HE ARG B 20 2.983 9.579 12.227 1.00 63.53 H new ATOM 0 HH11 ARG B 20 3.498 6.453 13.785 1.00 73.22 H new ATOM 0 HH12 ARG B 20 2.234 6.716 14.991 1.00 73.22 H new ATOM 0 HH21 ARG B 20 1.359 9.908 13.779 1.00 23.14 H new ATOM 0 HH22 ARG B 20 1.029 8.663 14.988 1.00 23.14 H new ATOM 635 N ARG B 21 2.067 5.088 8.998 1.00 12.23 N ATOM 636 CA ARG B 21 0.759 4.449 9.086 1.00 40.31 C ATOM 637 C ARG B 21 0.611 3.367 8.019 1.00 42.14 C ATOM 638 O ARG B 21 -0.252 2.496 8.121 1.00 3.44 O ATOM 639 CB ARG B 21 -0.352 5.488 8.930 1.00 74.10 C ATOM 640 CG ARG B 21 -1.660 5.084 9.589 1.00 23.32 C ATOM 641 CD ARG B 21 -2.072 6.077 10.666 1.00 63.22 C ATOM 642 NE ARG B 21 -3.185 5.581 11.471 1.00 41.25 N ATOM 643 CZ ARG B 21 -3.789 6.299 12.411 1.00 73.42 C ATOM 644 NH1 ARG B 21 -3.389 7.538 12.663 1.00 54.24 N ATOM 645 NH2 ARG B 21 -4.794 5.778 13.102 1.00 0.24 N ATOM 0 H ARG B 21 2.044 6.051 8.661 1.00 12.23 H new ATOM 0 HA ARG B 21 0.675 3.983 10.068 1.00 40.31 H new ATOM 0 HB2 ARG B 21 -0.017 6.433 9.357 1.00 74.10 H new ATOM 0 HB3 ARG B 21 -0.528 5.662 7.869 1.00 74.10 H new ATOM 0 HG2 ARG B 21 -2.444 5.018 8.834 1.00 23.32 H new ATOM 0 HG3 ARG B 21 -1.556 4.092 10.028 1.00 23.32 H new ATOM 0 HD2 ARG B 21 -1.220 6.283 11.314 1.00 63.22 H new ATOM 0 HD3 ARG B 21 -2.354 7.021 10.200 1.00 63.22 H new ATOM 0 HE ARG B 21 -3.517 4.631 11.302 1.00 41.25 H new ATOM 0 HH11 ARG B 21 -2.616 7.942 12.134 1.00 54.24 H new ATOM 0 HH12 ARG B 21 -3.855 8.087 13.385 1.00 54.24 H new ATOM 0 HH21 ARG B 21 -5.104 4.825 12.912 1.00 0.24 H new ATOM 0 HH22 ARG B 21 -5.257 6.330 13.824 1.00 0.24 H new ATOM 659 N ASN B 22 1.458 3.431 6.997 1.00 22.41 N ATOM 660 CA ASN B 22 1.420 2.457 5.912 1.00 23.41 C ATOM 661 C ASN B 22 2.769 1.760 5.759 1.00 13.42 C ATOM 662 O ASN B 22 2.853 0.532 5.797 1.00 71.43 O ATOM 663 CB ASN B 22 1.036 3.141 4.599 1.00 22.13 C ATOM 664 CG ASN B 22 0.387 2.184 3.617 1.00 1.03 C ATOM 665 OD1 ASN B 22 0.645 0.981 3.643 1.00 44.21 O ATOM 666 ND2 ASN B 22 -0.460 2.717 2.744 1.00 72.24 N ATOM 0 H ASN B 22 2.178 4.146 6.897 1.00 22.41 H new ATOM 0 HA ASN B 22 0.669 1.706 6.157 1.00 23.41 H new ATOM 0 HB2 ASN B 22 0.351 3.963 4.807 1.00 22.13 H new ATOM 0 HB3 ASN B 22 1.927 3.575 4.145 1.00 22.13 H new ATOM 0 HD21 ASN B 22 -0.927 2.123 2.058 1.00 72.24 H new ATOM 0 HD22 ASN B 22 -0.644 3.720 2.759 1.00 72.24 H new ATOM 673 N PHE B 23 3.821 2.552 5.586 1.00 73.12 N ATOM 674 CA PHE B 23 5.167 2.012 5.427 1.00 73.21 C ATOM 675 C PHE B 23 5.870 1.898 6.776 1.00 1.43 C ATOM 676 O PHE B 23 7.085 1.712 6.842 1.00 25.35 O ATOM 677 CB PHE B 23 5.986 2.895 4.485 1.00 71.53 C ATOM 678 CG PHE B 23 5.468 2.911 3.075 1.00 4.15 C ATOM 679 CD1 PHE B 23 5.475 1.757 2.308 1.00 32.42 C ATOM 680 CD2 PHE B 23 4.976 4.080 2.516 1.00 11.01 C ATOM 681 CE1 PHE B 23 4.998 1.767 1.010 1.00 45.14 C ATOM 682 CE2 PHE B 23 4.498 4.096 1.220 1.00 72.35 C ATOM 683 CZ PHE B 23 4.510 2.939 0.465 1.00 14.53 C ATOM 0 H PHE B 23 3.768 3.570 5.552 1.00 73.12 H new ATOM 0 HA PHE B 23 5.083 1.014 4.996 1.00 73.21 H new ATOM 0 HB2 PHE B 23 5.995 3.914 4.872 1.00 71.53 H new ATOM 0 HB3 PHE B 23 7.019 2.547 4.480 1.00 71.53 H new ATOM 0 HD1 PHE B 23 5.858 0.839 2.729 1.00 32.42 H new ATOM 0 HD2 PHE B 23 4.966 4.988 3.100 1.00 11.01 H new ATOM 0 HE1 PHE B 23 5.007 0.860 0.423 1.00 45.14 H new ATOM 0 HE2 PHE B 23 4.115 5.013 0.797 1.00 72.35 H new ATOM 0 HZ PHE B 23 4.139 2.951 -0.549 1.00 14.53 H new ATOM 693 N GLY B 24 5.096 2.012 7.852 1.00 71.12 N ATOM 694 CA GLY B 24 5.662 1.920 9.186 1.00 2.42 C ATOM 695 C GLY B 24 5.208 0.676 9.923 1.00 0.52 C ATOM 696 O GLY B 24 5.872 0.223 10.856 1.00 62.30 O ATOM 0 H GLY B 24 4.088 2.166 7.824 1.00 71.12 H new ATOM 0 HA2 GLY B 24 6.750 1.921 9.117 1.00 2.42 H new ATOM 0 HA3 GLY B 24 5.378 2.802 9.760 1.00 2.42 H new ATOM 700 N TYR B 25 4.075 0.124 9.506 1.00 62.22 N ATOM 701 CA TYR B 25 3.531 -1.074 10.137 1.00 34.34 C ATOM 702 C TYR B 25 4.256 -2.324 9.648 1.00 53.13 C ATOM 703 O TYR B 25 4.103 -3.407 10.213 1.00 62.24 O ATOM 704 CB TYR B 25 2.034 -1.193 9.847 1.00 4.13 C ATOM 705 CG TYR B 25 1.162 -0.961 11.060 1.00 41.54 C ATOM 706 CD1 TYR B 25 0.798 -2.015 11.890 1.00 52.05 C ATOM 707 CD2 TYR B 25 0.702 0.312 11.377 1.00 33.10 C ATOM 708 CE1 TYR B 25 0.001 -1.808 13.000 1.00 64.11 C ATOM 709 CE2 TYR B 25 -0.094 0.528 12.485 1.00 51.24 C ATOM 710 CZ TYR B 25 -0.442 -0.535 13.292 1.00 50.13 C ATOM 711 OH TYR B 25 -1.236 -0.323 14.396 1.00 10.30 O ATOM 0 H TYR B 25 3.515 0.486 8.734 1.00 62.22 H new ATOM 0 HA TYR B 25 3.680 -0.987 11.213 1.00 34.34 H new ATOM 0 HB2 TYR B 25 1.764 -0.474 9.073 1.00 4.13 H new ATOM 0 HB3 TYR B 25 1.828 -2.185 9.446 1.00 4.13 H new ATOM 0 HD1 TYR B 25 1.144 -3.013 11.664 1.00 52.05 H new ATOM 0 HD2 TYR B 25 0.972 1.146 10.746 1.00 33.10 H new ATOM 0 HE1 TYR B 25 -0.273 -2.638 13.635 1.00 64.11 H new ATOM 0 HE2 TYR B 25 -0.442 1.524 12.718 1.00 51.24 H new ATOM 0 HH TYR B 25 -1.460 0.629 14.460 1.00 10.30 H new ATOM 721 N THR B 26 5.049 -2.166 8.593 1.00 75.22 N ATOM 722 CA THR B 26 5.798 -3.280 8.026 1.00 54.11 C ATOM 723 C THR B 26 7.233 -3.297 8.542 1.00 53.22 C ATOM 724 O THR B 26 7.701 -4.306 9.071 1.00 2.30 O ATOM 725 CB THR B 26 5.819 -3.218 6.487 1.00 53.50 C ATOM 726 OG1 THR B 26 4.699 -3.934 5.952 1.00 21.50 O ATOM 727 CG2 THR B 26 7.111 -3.805 5.939 1.00 12.53 C ATOM 0 H THR B 26 5.189 -1.277 8.114 1.00 75.22 H new ATOM 0 HA THR B 26 5.291 -4.193 8.339 1.00 54.11 H new ATOM 0 HB THR B 26 5.758 -2.172 6.187 1.00 53.50 H new ATOM 0 HG1 THR B 26 4.719 -3.888 4.973 1.00 21.50 H new ATOM 0 HG21 THR B 26 7.103 -3.750 4.850 1.00 12.53 H new ATOM 0 HG22 THR B 26 7.960 -3.240 6.324 1.00 12.53 H new ATOM 0 HG23 THR B 26 7.198 -4.846 6.249 1.00 12.53 H new ATOM 735 N LEU B 27 7.925 -2.174 8.386 1.00 40.11 N ATOM 736 CA LEU B 27 9.308 -2.060 8.837 1.00 31.24 C ATOM 737 C LEU B 27 9.386 -2.063 10.360 1.00 71.11 C ATOM 738 O LEU B 27 10.472 -2.003 10.937 1.00 12.34 O ATOM 739 CB LEU B 27 9.941 -0.781 8.286 1.00 53.42 C ATOM 740 CG LEU B 27 10.806 -0.946 7.035 1.00 71.11 C ATOM 741 CD1 LEU B 27 12.126 -1.619 7.384 1.00 23.20 C ATOM 742 CD2 LEU B 27 10.064 -1.744 5.974 1.00 15.32 C ATOM 0 H LEU B 27 7.552 -1.330 7.951 1.00 40.11 H new ATOM 0 HA LEU B 27 9.859 -2.922 8.461 1.00 31.24 H new ATOM 0 HB2 LEU B 27 9.144 -0.072 8.061 1.00 53.42 H new ATOM 0 HB3 LEU B 27 10.553 -0.335 9.070 1.00 53.42 H new ATOM 0 HG LEU B 27 11.021 0.044 6.632 1.00 71.11 H new ATOM 0 HD11 LEU B 27 12.728 -1.728 6.482 1.00 23.20 H new ATOM 0 HD12 LEU B 27 12.665 -1.009 8.109 1.00 23.20 H new ATOM 0 HD13 LEU B 27 11.931 -2.603 7.811 1.00 23.20 H new ATOM 0 HD21 LEU B 27 10.695 -1.851 5.092 1.00 15.32 H new ATOM 0 HD22 LEU B 27 9.818 -2.731 6.366 1.00 15.32 H new ATOM 0 HD23 LEU B 27 9.146 -1.223 5.702 1.00 15.32 H new ATOM 754 N ARG B 28 8.226 -2.133 11.007 1.00 42.12 N ATOM 755 CA ARG B 28 8.163 -2.146 12.463 1.00 5.14 C ATOM 756 C ARG B 28 9.041 -3.254 13.036 1.00 54.30 C ATOM 757 O ARG B 28 9.610 -3.111 14.118 1.00 33.45 O ATOM 758 CB ARG B 28 6.718 -2.331 12.931 1.00 53.45 C ATOM 759 CG ARG B 28 6.538 -2.170 14.431 1.00 15.04 C ATOM 760 CD ARG B 28 5.091 -1.876 14.791 1.00 65.53 C ATOM 761 NE ARG B 28 4.652 -2.634 15.961 1.00 32.02 N ATOM 762 CZ ARG B 28 5.001 -2.329 17.206 1.00 33.20 C ATOM 763 NH1 ARG B 28 5.787 -1.289 17.442 1.00 23.43 N ATOM 764 NH2 ARG B 28 4.562 -3.066 18.218 1.00 12.44 N ATOM 0 H ARG B 28 7.318 -2.182 10.545 1.00 42.12 H new ATOM 0 HA ARG B 28 8.535 -1.188 12.826 1.00 5.14 H new ATOM 0 HB2 ARG B 28 6.084 -1.608 12.418 1.00 53.45 H new ATOM 0 HB3 ARG B 28 6.374 -3.323 12.637 1.00 53.45 H new ATOM 0 HG2 ARG B 28 6.862 -3.079 14.937 1.00 15.04 H new ATOM 0 HG3 ARG B 28 7.175 -1.361 14.790 1.00 15.04 H new ATOM 0 HD2 ARG B 28 4.976 -0.810 14.986 1.00 65.53 H new ATOM 0 HD3 ARG B 28 4.450 -2.116 13.942 1.00 65.53 H new ATOM 0 HE ARG B 28 4.045 -3.440 15.814 1.00 32.02 H new ATOM 0 HH11 ARG B 28 6.126 -0.720 16.667 1.00 23.43 H new ATOM 0 HH12 ARG B 28 6.053 -1.058 18.399 1.00 23.43 H new ATOM 0 HH21 ARG B 28 3.956 -3.867 18.040 1.00 12.44 H new ATOM 0 HH22 ARG B 28 4.830 -2.831 19.174 1.00 12.44 H new TER 778 ARG B 28