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+ 167:sc= -0.253 (180deg=-0.544) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.359 (180deg=-0.625) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.146 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -140:sc= 0 (180deg=-0.491) 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 130:sc= 0.507 USER MOD Single : B 6 THR OG1 : rot 119:sc= 1.64 USER MOD Single : B 8 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.4) USER MOD Single : B 9 ASN : amide:sc= -5.32! C(o=-5.3!,f=-15!) 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 HE2:sc= -4.79! C(o=-4.8!,f=-7.5!) USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=0) 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 -0.729 3.464 -3.023 1.00 3.00 N ATOM 2 CA VAL A 1 0.314 4.419 -3.382 1.00 12.15 C ATOM 3 C VAL A 1 1.641 4.052 -2.728 1.00 60.45 C ATOM 4 O VAL A 1 2.106 4.736 -1.817 1.00 23.12 O ATOM 5 CB VAL A 1 -0.072 5.852 -2.969 1.00 64.02 C ATOM 6 CG1 VAL A 1 -1.139 6.407 -3.898 1.00 1.04 C ATOM 7 CG2 VAL A 1 -0.544 5.881 -1.523 1.00 65.55 C ATOM 0 H1 VAL A 1 -1.658 3.847 -3.292 1.00 3.00 H new ATOM 0 H2 VAL A 1 -0.566 2.567 -3.524 1.00 3.00 H new ATOM 0 H3 VAL A 1 -0.708 3.296 -1.997 1.00 3.00 H new ATOM 0 HA VAL A 1 0.423 4.379 -4.466 1.00 12.15 H new ATOM 0 HB VAL A 1 0.811 6.485 -3.051 1.00 64.02 H new ATOM 0 HG11 VAL A 1 -1.398 7.420 -3.590 1.00 1.04 H new ATOM 0 HG12 VAL A 1 -0.759 6.424 -4.919 1.00 1.04 H new ATOM 0 HG13 VAL A 1 -2.026 5.775 -3.852 1.00 1.04 H new ATOM 0 HG21 VAL A 1 -0.813 6.901 -1.248 1.00 65.55 H new ATOM 0 HG22 VAL A 1 -1.414 5.234 -1.411 1.00 65.55 H new ATOM 0 HG23 VAL A 1 0.256 5.529 -0.872 1.00 65.55 H new ATOM 17 N ALA A 2 2.249 2.969 -3.202 1.00 13.41 N ATOM 18 CA ALA A 2 3.525 2.513 -2.666 1.00 52.42 C ATOM 19 C ALA A 2 4.598 2.490 -3.749 1.00 41.15 C ATOM 20 O ALA A 2 5.006 1.423 -4.210 1.00 74.40 O ATOM 21 CB ALA A 2 3.373 1.135 -2.041 1.00 54.34 C ATOM 0 H ALA A 2 1.878 2.391 -3.956 1.00 13.41 H new ATOM 0 HA ALA A 2 3.839 3.216 -1.895 1.00 52.42 H new ATOM 0 HB1 ALA A 2 4.334 0.807 -1.645 1.00 54.34 H new ATOM 0 HB2 ALA A 2 2.644 1.181 -1.232 1.00 54.34 H new ATOM 0 HB3 ALA A 2 3.032 0.428 -2.797 1.00 54.34 H new ATOM 27 N ARG A 3 5.052 3.672 -4.153 1.00 33.15 N ATOM 28 CA ARG A 3 6.076 3.787 -5.183 1.00 73.43 C ATOM 29 C ARG A 3 7.315 4.493 -4.642 1.00 31.15 C ATOM 30 O ARG A 3 8.378 4.468 -5.262 1.00 61.11 O ATOM 31 CB ARG A 3 5.530 4.548 -6.393 1.00 33.51 C ATOM 32 CG ARG A 3 4.011 4.596 -6.447 1.00 73.33 C ATOM 33 CD ARG A 3 3.522 5.349 -7.675 1.00 73.42 C ATOM 34 NE ARG A 3 2.712 4.504 -8.548 1.00 32.31 N ATOM 35 CZ ARG A 3 1.928 4.980 -9.509 1.00 75.45 C ATOM 36 NH1 ARG A 3 1.849 6.287 -9.720 1.00 3.43 N ATOM 37 NH2 ARG A 3 1.220 4.148 -10.262 1.00 72.11 N ATOM 0 H ARG A 3 4.726 4.564 -3.782 1.00 33.15 H new ATOM 0 HA ARG A 3 6.358 2.781 -5.492 1.00 73.43 H new ATOM 0 HB2 ARG A 3 5.917 5.567 -6.376 1.00 33.51 H new ATOM 0 HB3 ARG A 3 5.903 4.081 -7.304 1.00 33.51 H new ATOM 0 HG2 ARG A 3 3.614 3.581 -6.459 1.00 73.33 H new ATOM 0 HG3 ARG A 3 3.629 5.078 -5.547 1.00 73.33 H new ATOM 0 HD2 ARG A 3 2.936 6.213 -7.361 1.00 73.42 H new ATOM 0 HD3 ARG A 3 4.378 5.730 -8.232 1.00 73.42 H new ATOM 0 HE ARG A 3 2.750 3.494 -8.413 1.00 32.31 H new ATOM 0 HH11 ARG A 3 2.391 6.930 -9.143 1.00 3.43 H new ATOM 0 HH12 ARG A 3 1.246 6.649 -10.459 1.00 3.43 H new ATOM 0 HH21 ARG A 3 1.277 3.142 -10.103 1.00 72.11 H new ATOM 0 HH22 ARG A 3 0.618 4.514 -11.000 1.00 72.11 H new ATOM 51 N GLY A 4 7.172 5.122 -3.480 1.00 70.31 N ATOM 52 CA GLY A 4 8.287 5.827 -2.875 1.00 10.21 C ATOM 53 C GLY A 4 9.273 4.888 -2.209 1.00 52.02 C ATOM 54 O GLY A 4 10.384 5.289 -1.861 1.00 44.44 O ATOM 0 H GLY A 4 6.303 5.156 -2.946 1.00 70.31 H new ATOM 0 HA2 GLY A 4 8.803 6.409 -3.639 1.00 10.21 H new ATOM 0 HA3 GLY A 4 7.908 6.535 -2.137 1.00 10.21 H new ATOM 58 N TRP A 5 8.867 3.636 -2.030 1.00 61.33 N ATOM 59 CA TRP A 5 9.723 2.638 -1.399 1.00 33.41 C ATOM 60 C TRP A 5 10.010 1.485 -2.354 1.00 33.12 C ATOM 61 O TRP A 5 10.983 0.750 -2.183 1.00 2.53 O ATOM 62 CB TRP A 5 9.069 2.109 -0.122 1.00 62.22 C ATOM 63 CG TRP A 5 9.368 2.941 1.088 1.00 72.32 C ATOM 64 CD1 TRP A 5 9.642 4.278 1.115 1.00 13.45 C ATOM 65 CD2 TRP A 5 9.425 2.489 2.446 1.00 42.33 C ATOM 66 NE1 TRP A 5 9.866 4.685 2.408 1.00 43.43 N ATOM 67 CE2 TRP A 5 9.738 3.608 3.243 1.00 61.12 C ATOM 68 CE3 TRP A 5 9.240 1.250 3.065 1.00 73.12 C ATOM 69 CZ2 TRP A 5 9.869 3.520 4.626 1.00 3.41 C ATOM 70 CZ3 TRP A 5 9.372 1.166 4.438 1.00 2.35 C ATOM 71 CH2 TRP A 5 9.684 2.295 5.207 1.00 51.44 C ATOM 0 H TRP A 5 7.951 3.288 -2.313 1.00 61.33 H new ATOM 0 HA TRP A 5 10.668 3.116 -1.143 1.00 33.41 H new ATOM 0 HB2 TRP A 5 7.989 2.066 -0.266 1.00 62.22 H new ATOM 0 HB3 TRP A 5 9.408 1.088 0.055 1.00 62.22 H new ATOM 0 HD1 TRP A 5 9.677 4.921 0.248 1.00 13.45 H new ATOM 0 HE1 TRP A 5 10.091 5.636 2.699 1.00 43.43 H new ATOM 0 HE3 TRP A 5 8.998 0.374 2.481 1.00 73.12 H new ATOM 0 HZ2 TRP A 5 10.109 4.389 5.220 1.00 3.41 H new ATOM 0 HZ3 TRP A 5 9.232 0.213 4.927 1.00 2.35 H new ATOM 0 HH2 TRP A 5 9.780 2.197 6.278 1.00 51.44 H new ATOM 82 N LYS A 6 9.158 1.332 -3.362 1.00 3.24 N ATOM 83 CA LYS A 6 9.320 0.269 -4.347 1.00 74.20 C ATOM 84 C LYS A 6 10.233 0.715 -5.485 1.00 31.32 C ATOM 85 O LYS A 6 11.049 -0.062 -5.980 1.00 13.24 O ATOM 86 CB LYS A 6 7.958 -0.150 -4.906 1.00 2.44 C ATOM 87 CG LYS A 6 8.050 -0.989 -6.168 1.00 34.54 C ATOM 88 CD LYS A 6 7.683 -0.182 -7.402 1.00 53.31 C ATOM 89 CE LYS A 6 6.393 -0.681 -8.033 1.00 14.41 C ATOM 90 NZ LYS A 6 5.756 0.357 -8.889 1.00 55.14 N ATOM 0 H LYS A 6 8.348 1.931 -3.518 1.00 3.24 H new ATOM 0 HA LYS A 6 9.780 -0.585 -3.849 1.00 74.20 H new ATOM 0 HB2 LYS A 6 7.420 -0.713 -4.144 1.00 2.44 H new ATOM 0 HB3 LYS A 6 7.370 0.744 -5.116 1.00 2.44 H new ATOM 0 HG2 LYS A 6 9.063 -1.378 -6.274 1.00 34.54 H new ATOM 0 HG3 LYS A 6 7.386 -1.849 -6.084 1.00 34.54 H new ATOM 0 HD2 LYS A 6 7.574 0.868 -7.132 1.00 53.31 H new ATOM 0 HD3 LYS A 6 8.492 -0.241 -8.130 1.00 53.31 H new ATOM 0 HE2 LYS A 6 6.601 -1.568 -8.632 1.00 14.41 H new ATOM 0 HE3 LYS A 6 5.698 -0.982 -7.249 1.00 14.41 H new ATOM 0 HZ1 LYS A 6 4.785 0.067 -9.121 1.00 55.14 H new ATOM 0 HZ2 LYS A 6 5.735 1.263 -8.378 1.00 55.14 H new ATOM 0 HZ3 LYS A 6 6.303 0.467 -9.766 1.00 55.14 H new ATOM 104 N ARG A 7 10.089 1.972 -5.893 1.00 32.10 N ATOM 105 CA ARG A 7 10.901 2.521 -6.973 1.00 51.12 C ATOM 106 C ARG A 7 12.267 2.964 -6.455 1.00 71.40 C ATOM 107 O ARG A 7 13.203 3.157 -7.229 1.00 64.12 O ATOM 108 CB ARG A 7 10.184 3.703 -7.627 1.00 61.24 C ATOM 109 CG ARG A 7 8.725 3.428 -7.948 1.00 52.05 C ATOM 110 CD ARG A 7 8.583 2.406 -9.066 1.00 72.13 C ATOM 111 NE ARG A 7 9.080 2.915 -10.340 1.00 54.44 N ATOM 112 CZ ARG A 7 9.168 2.180 -11.443 1.00 23.54 C ATOM 113 NH1 ARG A 7 8.791 0.908 -11.426 1.00 13.44 N ATOM 114 NH2 ARG A 7 9.631 2.715 -12.565 1.00 31.51 N ATOM 0 H ARG A 7 9.419 2.628 -5.493 1.00 32.10 H new ATOM 0 HA ARG A 7 11.050 1.738 -7.717 1.00 51.12 H new ATOM 0 HB2 ARG A 7 10.245 4.566 -6.964 1.00 61.24 H new ATOM 0 HB3 ARG A 7 10.705 3.970 -8.546 1.00 61.24 H new ATOM 0 HG2 ARG A 7 8.217 3.064 -7.055 1.00 52.05 H new ATOM 0 HG3 ARG A 7 8.234 4.357 -8.238 1.00 52.05 H new ATOM 0 HD2 ARG A 7 9.128 1.500 -8.800 1.00 72.13 H new ATOM 0 HD3 ARG A 7 7.534 2.128 -9.171 1.00 72.13 H new ATOM 0 HE ARG A 7 9.376 3.890 -10.386 1.00 54.44 H new ATOM 0 HH11 ARG A 7 8.433 0.494 -10.565 1.00 13.44 H new ATOM 0 HH12 ARG A 7 8.859 0.345 -12.274 1.00 13.44 H new ATOM 0 HH21 ARG A 7 9.920 3.693 -12.582 1.00 31.51 H new ATOM 0 HH22 ARG A 7 9.698 2.148 -13.411 1.00 31.51 H new ATOM 128 N LYS A 8 12.372 3.122 -5.139 1.00 52.25 N ATOM 129 CA LYS A 8 13.622 3.541 -4.517 1.00 52.20 C ATOM 130 C LYS A 8 14.565 2.356 -4.340 1.00 54.05 C ATOM 131 O LYS A 8 14.334 1.486 -3.497 1.00 5.32 O ATOM 132 CB LYS A 8 13.346 4.194 -3.160 1.00 32.22 C ATOM 133 CG LYS A 8 13.044 5.680 -3.251 1.00 51.41 C ATOM 134 CD LYS A 8 11.899 5.959 -4.210 1.00 1.11 C ATOM 135 CE LYS A 8 11.297 7.336 -3.973 1.00 32.10 C ATOM 136 NZ LYS A 8 10.583 7.844 -5.178 1.00 63.32 N ATOM 0 H LYS A 8 11.606 2.966 -4.483 1.00 52.25 H new ATOM 0 HA LYS A 8 14.100 4.268 -5.173 1.00 52.20 H new ATOM 0 HB2 LYS A 8 12.504 3.689 -2.688 1.00 32.22 H new ATOM 0 HB3 LYS A 8 14.210 4.046 -2.512 1.00 32.22 H new ATOM 0 HG2 LYS A 8 12.792 6.062 -2.262 1.00 51.41 H new ATOM 0 HG3 LYS A 8 13.935 6.214 -3.582 1.00 51.41 H new ATOM 0 HD2 LYS A 8 12.258 5.889 -5.237 1.00 1.11 H new ATOM 0 HD3 LYS A 8 11.128 5.198 -4.089 1.00 1.11 H new ATOM 0 HE2 LYS A 8 10.604 7.290 -3.133 1.00 32.10 H new ATOM 0 HE3 LYS A 8 12.087 8.035 -3.697 1.00 32.10 H new ATOM 0 HZ1 LYS A 8 10.187 8.784 -4.976 1.00 63.32 H new ATOM 0 HZ2 LYS A 8 11.250 7.912 -5.973 1.00 63.32 H new ATOM 0 HZ3 LYS A 8 9.813 7.190 -5.427 1.00 63.32 H new ATOM 150 N CYS A 9 15.628 2.328 -5.135 1.00 13.33 N ATOM 151 CA CYS A 9 16.608 1.250 -5.065 1.00 75.22 C ATOM 152 C CYS A 9 17.755 1.617 -4.131 1.00 63.21 C ATOM 153 O CYS A 9 17.962 0.997 -3.088 1.00 2.11 O ATOM 154 CB CYS A 9 17.150 0.933 -6.460 1.00 51.45 C ATOM 155 SG CYS A 9 16.482 -0.581 -7.187 1.00 72.55 S ATOM 0 H CYS A 9 15.834 3.040 -5.836 1.00 13.33 H new ATOM 0 HA CYS A 9 16.110 0.366 -4.668 1.00 75.22 H new ATOM 0 HB2 CYS A 9 16.928 1.770 -7.123 1.00 51.45 H new ATOM 0 HB3 CYS A 9 18.235 0.849 -6.405 1.00 51.45 H new ATOM 0 HG CYS A 9 16.999 -0.761 -8.366 1.00 72.55 H new ATOM 161 N PRO A 10 18.523 2.648 -4.513 1.00 12.51 N ATOM 162 CA PRO A 10 19.664 3.121 -3.725 1.00 1.22 C ATOM 163 C PRO A 10 19.233 3.796 -2.427 1.00 55.43 C ATOM 164 O PRO A 10 20.050 4.033 -1.537 1.00 32.12 O ATOM 165 CB PRO A 10 20.343 4.132 -4.653 1.00 10.31 C ATOM 166 CG PRO A 10 19.257 4.605 -5.556 1.00 12.21 C ATOM 167 CD PRO A 10 18.335 3.433 -5.745 1.00 74.31 C ATOM 0 HA PRO A 10 20.313 2.301 -3.417 1.00 1.22 H new ATOM 0 HB2 PRO A 10 20.777 4.958 -4.089 1.00 10.31 H new ATOM 0 HB3 PRO A 10 21.154 3.670 -5.217 1.00 10.31 H new ATOM 0 HG2 PRO A 10 18.727 5.452 -5.119 1.00 12.21 H new ATOM 0 HG3 PRO A 10 19.662 4.941 -6.511 1.00 12.21 H new ATOM 0 HD2 PRO A 10 17.299 3.752 -5.864 1.00 74.31 H new ATOM 0 HD3 PRO A 10 18.595 2.856 -6.633 1.00 74.31 H new ATOM 175 N LEU A 11 17.944 4.103 -2.327 1.00 64.02 N ATOM 176 CA LEU A 11 17.403 4.751 -1.137 1.00 14.22 C ATOM 177 C LEU A 11 17.085 3.724 -0.055 1.00 21.33 C ATOM 178 O LEU A 11 17.828 3.578 0.916 1.00 21.30 O ATOM 179 CB LEU A 11 16.143 5.544 -1.491 1.00 11.33 C ATOM 180 CG LEU A 11 16.304 7.063 -1.563 1.00 2.44 C ATOM 181 CD1 LEU A 11 14.960 7.730 -1.810 1.00 43.10 C ATOM 182 CD2 LEU A 11 16.938 7.593 -0.285 1.00 20.43 C ATOM 0 H LEU A 11 17.255 3.914 -3.055 1.00 64.02 H new ATOM 0 HA LEU A 11 18.158 5.436 -0.751 1.00 14.22 H new ATOM 0 HB2 LEU A 11 15.775 5.192 -2.455 1.00 11.33 H new ATOM 0 HB3 LEU A 11 15.374 5.315 -0.753 1.00 11.33 H new ATOM 0 HG LEU A 11 16.964 7.301 -2.398 1.00 2.44 H new ATOM 0 HD11 LEU A 11 15.094 8.811 -1.858 1.00 43.10 H new ATOM 0 HD12 LEU A 11 14.544 7.373 -2.752 1.00 43.10 H new ATOM 0 HD13 LEU A 11 14.277 7.485 -0.997 1.00 43.10 H new ATOM 0 HD21 LEU A 11 17.045 8.676 -0.354 1.00 20.43 H new ATOM 0 HD22 LEU A 11 16.304 7.344 0.566 1.00 20.43 H new ATOM 0 HD23 LEU A 11 17.920 7.139 -0.151 1.00 20.43 H new ATOM 194 N PHE A 12 15.975 3.014 -0.229 1.00 11.02 N ATOM 195 CA PHE A 12 15.558 1.999 0.731 1.00 34.33 C ATOM 196 C PHE A 12 15.504 0.621 0.078 1.00 45.21 C ATOM 197 O PHE A 12 15.401 -0.397 0.760 1.00 24.04 O ATOM 198 CB PHE A 12 14.188 2.351 1.315 1.00 13.34 C ATOM 199 CG PHE A 12 13.917 1.701 2.641 1.00 4.12 C ATOM 200 CD1 PHE A 12 12.743 0.995 2.854 1.00 2.30 C ATOM 201 CD2 PHE A 12 14.834 1.796 3.675 1.00 65.34 C ATOM 202 CE1 PHE A 12 12.490 0.394 4.073 1.00 11.25 C ATOM 203 CE2 PHE A 12 14.587 1.197 4.896 1.00 3.54 C ATOM 204 CZ PHE A 12 13.413 0.497 5.096 1.00 51.12 C ATOM 0 H PHE A 12 15.348 3.123 -1.026 1.00 11.02 H new ATOM 0 HA PHE A 12 16.293 1.973 1.535 1.00 34.33 H new ATOM 0 HB2 PHE A 12 14.117 3.433 1.428 1.00 13.34 H new ATOM 0 HB3 PHE A 12 13.413 2.053 0.608 1.00 13.34 H new ATOM 0 HD1 PHE A 12 12.017 0.914 2.058 1.00 2.30 H new ATOM 0 HD2 PHE A 12 15.752 2.344 3.525 1.00 65.34 H new ATOM 0 HE1 PHE A 12 11.573 -0.155 4.225 1.00 11.25 H new ATOM 0 HE2 PHE A 12 15.311 1.276 5.693 1.00 3.54 H new ATOM 0 HZ PHE A 12 13.217 0.031 6.050 1.00 51.12 H new ATOM 214 N GLY A 13 15.575 0.598 -1.250 1.00 14.50 N ATOM 215 CA GLY A 13 15.534 -0.659 -1.974 1.00 33.21 C ATOM 216 C GLY A 13 16.745 -1.527 -1.697 1.00 74.54 C ATOM 217 O GLY A 13 16.889 -2.076 -0.604 1.00 14.33 O ATOM 0 H GLY A 13 15.660 1.428 -1.837 1.00 14.50 H new ATOM 0 HA2 GLY A 13 14.630 -1.203 -1.700 1.00 33.21 H new ATOM 0 HA3 GLY A 13 15.472 -0.457 -3.043 1.00 33.21 H new ATOM 221 N LYS A 14 17.619 -1.656 -2.690 1.00 41.12 N ATOM 222 CA LYS A 14 18.823 -2.465 -2.550 1.00 51.14 C ATOM 223 C LYS A 14 19.858 -1.754 -1.685 1.00 23.01 C ATOM 224 O LYS A 14 20.796 -2.375 -1.184 1.00 54.32 O ATOM 225 CB LYS A 14 19.418 -2.773 -3.926 1.00 62.33 C ATOM 226 CG LYS A 14 18.372 -3.026 -4.997 1.00 44.41 C ATOM 227 CD LYS A 14 17.412 -4.131 -4.591 1.00 60.34 C ATOM 228 CE LYS A 14 16.837 -4.846 -5.804 1.00 14.15 C ATOM 229 NZ LYS A 14 17.764 -5.889 -6.324 1.00 25.52 N ATOM 0 H LYS A 14 17.515 -1.210 -3.601 1.00 41.12 H new ATOM 0 HA LYS A 14 18.548 -3.400 -2.062 1.00 51.14 H new ATOM 0 HB2 LYS A 14 20.048 -1.939 -4.235 1.00 62.33 H new ATOM 0 HB3 LYS A 14 20.063 -3.648 -3.846 1.00 62.33 H new ATOM 0 HG2 LYS A 14 17.814 -2.109 -5.185 1.00 44.41 H new ATOM 0 HG3 LYS A 14 18.865 -3.296 -5.931 1.00 44.41 H new ATOM 0 HD2 LYS A 14 17.931 -4.849 -3.956 1.00 60.34 H new ATOM 0 HD3 LYS A 14 16.601 -3.709 -3.998 1.00 60.34 H new ATOM 0 HE2 LYS A 14 15.886 -5.306 -5.537 1.00 14.15 H new ATOM 0 HE3 LYS A 14 16.630 -4.119 -6.590 1.00 14.15 H new ATOM 0 HZ1 LYS A 14 17.336 -6.353 -7.150 1.00 25.52 H new ATOM 0 HZ2 LYS A 14 18.663 -5.447 -6.603 1.00 25.52 H new ATOM 0 HZ3 LYS A 14 17.941 -6.597 -5.583 1.00 25.52 H new ATOM 243 N GLY A 15 19.682 -0.447 -1.511 1.00 20.24 N ATOM 244 CA GLY A 15 20.607 0.326 -0.704 1.00 62.31 C ATOM 245 C GLY A 15 20.134 0.488 0.726 1.00 61.43 C ATOM 246 O GLY A 15 20.140 1.593 1.268 1.00 13.30 O ATOM 0 H GLY A 15 18.915 0.090 -1.915 1.00 20.24 H new ATOM 0 HA2 GLY A 15 21.582 -0.161 -0.708 1.00 62.31 H new ATOM 0 HA3 GLY A 15 20.741 1.310 -1.153 1.00 62.31 H new ATOM 250 N GLY A 16 19.720 -0.616 1.340 1.00 32.43 N ATOM 251 CA GLY A 16 19.246 -0.569 2.710 1.00 50.35 C ATOM 252 C GLY A 16 20.378 -0.494 3.715 1.00 62.11 C ATOM 253 O GLY A 16 20.535 0.507 4.412 1.00 73.03 O ATOM 0 H GLY A 16 19.705 -1.542 0.913 1.00 32.43 H new ATOM 0 HA2 GLY A 16 18.595 0.296 2.836 1.00 50.35 H new ATOM 0 HA3 GLY A 16 18.643 -1.454 2.913 1.00 50.35 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 17.247 6.639 5.309 1.00 31.34 N ATOM 259 CA LYS B 1 16.649 5.534 6.048 1.00 44.14 C ATOM 260 C LYS B 1 15.306 5.139 5.444 1.00 65.23 C ATOM 261 O LYS B 1 15.249 4.568 4.354 1.00 5.03 O ATOM 262 CB LYS B 1 16.465 5.917 7.519 1.00 44.12 C ATOM 263 CG LYS B 1 17.771 6.033 8.285 1.00 74.30 C ATOM 264 CD LYS B 1 17.747 5.204 9.558 1.00 52.42 C ATOM 265 CE LYS B 1 18.803 5.671 10.548 1.00 64.04 C ATOM 266 NZ LYS B 1 19.076 4.645 11.592 1.00 31.23 N ATOM 0 H1 LYS B 1 18.271 6.482 5.218 1.00 31.34 H new ATOM 0 H2 LYS B 1 16.820 6.695 4.362 1.00 31.34 H new ATOM 0 H3 LYS B 1 17.077 7.530 5.819 1.00 31.34 H new ATOM 0 HA LYS B 1 17.323 4.680 5.982 1.00 44.14 H new ATOM 0 HB2 LYS B 1 15.935 6.868 7.575 1.00 44.12 H new ATOM 0 HB3 LYS B 1 15.834 5.172 8.004 1.00 44.12 H new ATOM 0 HG2 LYS B 1 18.595 5.705 7.652 1.00 74.30 H new ATOM 0 HG3 LYS B 1 17.956 7.078 8.534 1.00 74.30 H new ATOM 0 HD2 LYS B 1 16.761 5.270 10.018 1.00 52.42 H new ATOM 0 HD3 LYS B 1 17.915 4.155 9.313 1.00 52.42 H new ATOM 0 HE2 LYS B 1 19.725 5.900 10.014 1.00 64.04 H new ATOM 0 HE3 LYS B 1 18.472 6.594 11.024 1.00 64.04 H new ATOM 0 HZ1 LYS B 1 19.801 5.001 12.247 1.00 31.23 H new ATOM 0 HZ2 LYS B 1 18.202 4.444 12.118 1.00 31.23 H new ATOM 0 HZ3 LYS B 1 19.416 3.772 11.140 1.00 31.23 H new ATOM 280 N TYR B 2 14.228 5.446 6.156 1.00 75.14 N ATOM 281 CA TYR B 2 12.885 5.122 5.689 1.00 71.03 C ATOM 282 C TYR B 2 12.024 6.378 5.592 1.00 30.14 C ATOM 283 O TYR B 2 11.397 6.636 4.566 1.00 43.21 O ATOM 284 CB TYR B 2 12.227 4.110 6.628 1.00 75.24 C ATOM 285 CG TYR B 2 12.931 3.971 7.959 1.00 1.33 C ATOM 286 CD1 TYR B 2 13.986 3.080 8.120 1.00 52.52 C ATOM 287 CD2 TYR B 2 12.542 4.731 9.056 1.00 53.11 C ATOM 288 CE1 TYR B 2 14.632 2.950 9.333 1.00 52.33 C ATOM 289 CE2 TYR B 2 13.184 4.607 10.273 1.00 53.34 C ATOM 290 CZ TYR B 2 14.227 3.715 10.407 1.00 54.44 C ATOM 291 OH TYR B 2 14.869 3.589 11.618 1.00 12.44 O ATOM 0 H TYR B 2 14.258 5.919 7.059 1.00 75.14 H new ATOM 0 HA TYR B 2 12.969 4.684 4.694 1.00 71.03 H new ATOM 0 HB2 TYR B 2 11.193 4.408 6.803 1.00 75.24 H new ATOM 0 HB3 TYR B 2 12.199 3.137 6.138 1.00 75.24 H new ATOM 0 HD1 TYR B 2 14.306 2.479 7.281 1.00 52.52 H new ATOM 0 HD2 TYR B 2 11.725 5.430 8.955 1.00 53.11 H new ATOM 0 HE1 TYR B 2 15.450 2.253 9.441 1.00 52.33 H new ATOM 0 HE2 TYR B 2 12.871 5.206 11.115 1.00 53.34 H new ATOM 0 HH TYR B 2 14.463 4.199 12.269 1.00 12.44 H new ATOM 301 N GLU B 3 12.000 7.156 6.670 1.00 15.12 N ATOM 302 CA GLU B 3 11.215 8.385 6.708 1.00 51.41 C ATOM 303 C GLU B 3 11.580 9.298 5.541 1.00 1.44 C ATOM 304 O GLU B 3 10.704 9.860 4.882 1.00 53.22 O ATOM 305 CB GLU B 3 11.438 9.117 8.032 1.00 2.21 C ATOM 306 CG GLU B 3 12.896 9.440 8.313 1.00 13.10 C ATOM 307 CD GLU B 3 13.238 9.360 9.788 1.00 31.14 C ATOM 308 OE1 GLU B 3 14.212 8.657 10.133 1.00 20.33 O ATOM 309 OE2 GLU B 3 12.533 9.998 10.596 1.00 74.41 O ATOM 0 H GLU B 3 12.515 6.957 7.528 1.00 15.12 H new ATOM 0 HA GLU B 3 10.162 8.117 6.622 1.00 51.41 H new ATOM 0 HB2 GLU B 3 10.864 10.044 8.026 1.00 2.21 H new ATOM 0 HB3 GLU B 3 11.047 8.506 8.845 1.00 2.21 H new ATOM 0 HG2 GLU B 3 13.531 8.748 7.759 1.00 13.10 H new ATOM 0 HG3 GLU B 3 13.119 10.442 7.946 1.00 13.10 H new ATOM 316 N ILE B 4 12.877 9.440 5.292 1.00 62.15 N ATOM 317 CA ILE B 4 13.357 10.285 4.205 1.00 62.13 C ATOM 318 C ILE B 4 13.152 9.610 2.853 1.00 24.44 C ATOM 319 O ILE B 4 13.540 10.144 1.814 1.00 45.51 O ATOM 320 CB ILE B 4 14.849 10.627 4.376 1.00 62.42 C ATOM 321 CG1 ILE B 4 15.716 9.419 4.013 1.00 73.21 C ATOM 322 CG2 ILE B 4 15.130 11.079 5.800 1.00 5.44 C ATOM 323 CD1 ILE B 4 16.306 9.495 2.622 1.00 14.42 C ATOM 0 H ILE B 4 13.614 8.981 5.827 1.00 62.15 H new ATOM 0 HA ILE B 4 12.775 11.206 4.240 1.00 62.13 H new ATOM 0 HB ILE B 4 15.098 11.446 3.701 1.00 62.42 H new ATOM 0 HG12 ILE B 4 16.525 9.332 4.738 1.00 73.21 H new ATOM 0 HG13 ILE B 4 15.115 8.513 4.095 1.00 73.21 H new ATOM 0 HG21 ILE B 4 16.189 11.317 5.904 1.00 5.44 H new ATOM 0 HG22 ILE B 4 14.535 11.964 6.025 1.00 5.44 H new ATOM 0 HG23 ILE B 4 14.868 10.280 6.494 1.00 5.44 H new ATOM 0 HD11 ILE B 4 16.908 8.606 2.433 1.00 14.42 H new ATOM 0 HD12 ILE B 4 15.502 9.551 1.888 1.00 14.42 H new ATOM 0 HD13 ILE B 4 16.934 10.382 2.541 1.00 14.42 H new ATOM 335 N THR B 5 12.539 8.431 2.873 1.00 4.24 N ATOM 336 CA THR B 5 12.281 7.683 1.649 1.00 23.03 C ATOM 337 C THR B 5 10.805 7.738 1.271 1.00 44.35 C ATOM 338 O THR B 5 10.448 7.591 0.101 1.00 1.32 O ATOM 339 CB THR B 5 12.707 6.209 1.793 1.00 35.34 C ATOM 340 OG1 THR B 5 14.078 6.132 2.199 1.00 65.03 O ATOM 341 CG2 THR B 5 12.518 5.462 0.481 1.00 21.53 C ATOM 0 H THR B 5 12.212 7.973 3.724 1.00 4.24 H new ATOM 0 HA THR B 5 12.872 8.151 0.862 1.00 23.03 H new ATOM 0 HB THR B 5 12.078 5.744 2.552 1.00 35.34 H new ATOM 0 HG1 THR B 5 14.158 5.532 2.970 1.00 65.03 H new ATOM 0 HG21 THR B 5 12.825 4.424 0.606 1.00 21.53 H new ATOM 0 HG22 THR B 5 11.468 5.497 0.190 1.00 21.53 H new ATOM 0 HG23 THR B 5 13.125 5.929 -0.294 1.00 21.53 H new ATOM 349 N THR B 6 9.952 7.954 2.267 1.00 63.53 N ATOM 350 CA THR B 6 8.514 8.029 2.037 1.00 43.54 C ATOM 351 C THR B 6 7.967 9.400 2.420 1.00 22.11 C ATOM 352 O THR B 6 6.799 9.701 2.176 1.00 50.31 O ATOM 353 CB THR B 6 7.761 6.947 2.835 1.00 64.24 C ATOM 354 OG1 THR B 6 6.377 7.297 2.947 1.00 44.33 O ATOM 355 CG2 THR B 6 8.361 6.782 4.223 1.00 74.41 C ATOM 0 H THR B 6 10.231 8.080 3.240 1.00 63.53 H new ATOM 0 HA THR B 6 8.354 7.862 0.972 1.00 43.54 H new ATOM 0 HB THR B 6 7.855 6.001 2.301 1.00 64.24 H new ATOM 0 HG1 THR B 6 5.829 6.608 2.516 1.00 44.33 H new ATOM 0 HG21 THR B 6 7.813 6.013 4.767 1.00 74.41 H new ATOM 0 HG22 THR B 6 9.407 6.488 4.135 1.00 74.41 H new ATOM 0 HG23 THR B 6 8.294 7.726 4.763 1.00 74.41 H new ATOM 363 N ILE B 7 8.819 10.225 3.019 1.00 34.42 N ATOM 364 CA ILE B 7 8.421 11.564 3.433 1.00 4.31 C ATOM 365 C ILE B 7 9.308 12.625 2.790 1.00 21.24 C ATOM 366 O ILE B 7 9.177 13.816 3.076 1.00 21.14 O ATOM 367 CB ILE B 7 8.481 11.722 4.964 1.00 44.31 C ATOM 368 CG1 ILE B 7 7.899 10.483 5.649 1.00 24.42 C ATOM 369 CG2 ILE B 7 7.733 12.974 5.398 1.00 73.41 C ATOM 370 CD1 ILE B 7 7.925 10.560 7.159 1.00 40.12 C ATOM 0 H ILE B 7 9.789 9.989 3.228 1.00 34.42 H new ATOM 0 HA ILE B 7 7.392 11.703 3.101 1.00 4.31 H new ATOM 0 HB ILE B 7 9.524 11.824 5.263 1.00 44.31 H new ATOM 0 HG12 ILE B 7 6.870 10.344 5.318 1.00 24.42 H new ATOM 0 HG13 ILE B 7 8.458 9.604 5.328 1.00 24.42 H new ATOM 0 HG21 ILE B 7 7.785 13.071 6.482 1.00 73.41 H new ATOM 0 HG22 ILE B 7 8.187 13.849 4.933 1.00 73.41 H new ATOM 0 HG23 ILE B 7 6.690 12.900 5.090 1.00 73.41 H new ATOM 0 HD11 ILE B 7 7.497 9.649 7.577 1.00 40.12 H new ATOM 0 HD12 ILE B 7 8.955 10.668 7.500 1.00 40.12 H new ATOM 0 HD13 ILE B 7 7.342 11.419 7.490 1.00 40.12 H new ATOM 382 N HIS B 8 10.209 12.186 1.917 1.00 32.25 N ATOM 383 CA HIS B 8 11.116 13.098 1.230 1.00 74.41 C ATOM 384 C HIS B 8 10.892 13.054 -0.279 1.00 43.21 C ATOM 385 O HIS B 8 11.284 13.969 -1.001 1.00 13.54 O ATOM 386 CB HIS B 8 12.569 12.744 1.552 1.00 44.20 C ATOM 387 CG HIS B 8 13.448 13.941 1.746 1.00 64.53 C ATOM 388 ND1 HIS B 8 13.078 15.031 2.505 1.00 70.32 N ATOM 389 CD2 HIS B 8 14.687 14.215 1.275 1.00 63.12 C ATOM 390 CE1 HIS B 8 14.051 15.924 2.492 1.00 33.42 C ATOM 391 NE2 HIS B 8 15.040 15.453 1.753 1.00 62.24 N ATOM 0 H HIS B 8 10.330 11.204 1.669 1.00 32.25 H new ATOM 0 HA HIS B 8 10.909 14.109 1.581 1.00 74.41 H new ATOM 0 HB2 HIS B 8 12.594 12.135 2.455 1.00 44.20 H new ATOM 0 HB3 HIS B 8 12.973 12.134 0.744 1.00 44.20 H new ATOM 0 HD2 HIS B 8 15.286 13.578 0.641 1.00 63.12 H new ATOM 0 HE1 HIS B 8 14.040 16.877 2.999 1.00 33.42 H new ATOM 0 HE2 HIS B 8 15.922 15.931 1.568 1.00 62.24 H new ATOM 399 N ASN B 9 10.258 11.983 -0.747 1.00 60.42 N ATOM 400 CA ASN B 9 9.983 11.819 -2.170 1.00 0.42 C ATOM 401 C ASN B 9 8.925 12.814 -2.637 1.00 22.32 C ATOM 402 O ASN B 9 9.198 13.685 -3.465 1.00 75.41 O ATOM 403 CB ASN B 9 9.518 10.390 -2.459 1.00 60.52 C ATOM 404 CG ASN B 9 8.566 9.867 -1.401 1.00 42.41 C ATOM 405 OD1 ASN B 9 8.947 9.679 -0.246 1.00 11.41 O ATOM 406 ND2 ASN B 9 7.320 9.627 -1.793 1.00 30.03 N ATOM 0 H ASN B 9 9.925 11.217 -0.162 1.00 60.42 H new ATOM 0 HA ASN B 9 10.905 12.012 -2.718 1.00 0.42 H new ATOM 0 HB2 ASN B 9 9.028 10.360 -3.432 1.00 60.52 H new ATOM 0 HB3 ASN B 9 10.386 9.734 -2.519 1.00 60.52 H new ATOM 0 HD21 ASN B 9 6.635 9.272 -1.126 1.00 30.03 H new ATOM 0 HD22 ASN B 9 7.048 9.798 -2.761 1.00 30.03 H new ATOM 413 N LEU B 10 7.717 12.682 -2.099 1.00 12.12 N ATOM 414 CA LEU B 10 6.617 13.570 -2.459 1.00 31.05 C ATOM 415 C LEU B 10 5.990 14.192 -1.216 1.00 32.23 C ATOM 416 O LEU B 10 5.067 15.002 -1.312 1.00 13.21 O ATOM 417 CB LEU B 10 5.556 12.803 -3.252 1.00 41.42 C ATOM 418 CG LEU B 10 4.561 11.989 -2.426 1.00 74.24 C ATOM 419 CD1 LEU B 10 3.204 12.673 -2.396 1.00 22.24 C ATOM 420 CD2 LEU B 10 4.436 10.577 -2.981 1.00 43.22 C ATOM 0 H LEU B 10 7.475 11.968 -1.412 1.00 12.12 H new ATOM 0 HA LEU B 10 7.017 14.371 -3.080 1.00 31.05 H new ATOM 0 HB2 LEU B 10 4.997 13.516 -3.858 1.00 41.42 H new ATOM 0 HB3 LEU B 10 6.063 12.128 -3.941 1.00 41.42 H new ATOM 0 HG LEU B 10 4.935 11.925 -1.404 1.00 74.24 H new ATOM 0 HD11 LEU B 10 2.510 12.078 -1.803 1.00 22.24 H new ATOM 0 HD12 LEU B 10 3.305 13.663 -1.951 1.00 22.24 H new ATOM 0 HD13 LEU B 10 2.823 12.770 -3.413 1.00 22.24 H new ATOM 0 HD21 LEU B 10 3.723 10.012 -2.380 1.00 43.22 H new ATOM 0 HD22 LEU B 10 4.087 10.621 -4.013 1.00 43.22 H new ATOM 0 HD23 LEU B 10 5.408 10.086 -2.948 1.00 43.22 H new ATOM 432 N PHE B 11 6.498 13.810 -0.049 1.00 40.31 N ATOM 433 CA PHE B 11 5.988 14.332 1.213 1.00 11.11 C ATOM 434 C PHE B 11 7.052 15.159 1.930 1.00 24.41 C ATOM 435 O PHE B 11 7.018 15.312 3.151 1.00 61.42 O ATOM 436 CB PHE B 11 5.527 13.185 2.115 1.00 34.23 C ATOM 437 CG PHE B 11 4.041 12.965 2.092 1.00 65.12 C ATOM 438 CD1 PHE B 11 3.380 12.497 3.217 1.00 12.41 C ATOM 439 CD2 PHE B 11 3.306 13.226 0.948 1.00 35.22 C ATOM 440 CE1 PHE B 11 2.013 12.294 3.200 1.00 72.21 C ATOM 441 CE2 PHE B 11 1.939 13.027 0.926 1.00 61.44 C ATOM 442 CZ PHE B 11 1.292 12.558 2.053 1.00 50.12 C ATOM 0 H PHE B 11 7.262 13.141 0.049 1.00 40.31 H new ATOM 0 HA PHE B 11 5.138 14.977 0.992 1.00 11.11 H new ATOM 0 HB2 PHE B 11 6.027 12.267 1.806 1.00 34.23 H new ATOM 0 HB3 PHE B 11 5.840 13.390 3.139 1.00 34.23 H new ATOM 0 HD1 PHE B 11 3.940 12.289 4.117 1.00 12.41 H new ATOM 0 HD2 PHE B 11 3.807 13.589 0.063 1.00 35.22 H new ATOM 0 HE1 PHE B 11 1.510 11.929 4.083 1.00 72.21 H new ATOM 0 HE2 PHE B 11 1.377 13.238 0.028 1.00 61.44 H new ATOM 0 HZ PHE B 11 0.224 12.398 2.037 1.00 50.12 H new ATOM 452 N ARG B 12 7.996 15.691 1.160 1.00 1.31 N ATOM 453 CA ARG B 12 9.071 16.502 1.719 1.00 12.33 C ATOM 454 C ARG B 12 8.517 17.555 2.674 1.00 13.44 C ATOM 455 O ARG B 12 9.134 17.873 3.691 1.00 72.44 O ATOM 456 CB ARG B 12 9.864 17.178 0.601 1.00 53.25 C ATOM 457 CG ARG B 12 9.002 17.993 -0.350 1.00 31.52 C ATOM 458 CD ARG B 12 9.742 18.311 -1.640 1.00 15.12 C ATOM 459 NE ARG B 12 9.180 17.597 -2.783 1.00 35.11 N ATOM 460 CZ ARG B 12 8.000 17.883 -3.320 1.00 0.10 C ATOM 461 NH1 ARG B 12 7.261 18.865 -2.821 1.00 63.31 N ATOM 462 NH2 ARG B 12 7.556 17.188 -4.360 1.00 51.11 N ATOM 0 H ARG B 12 8.038 15.575 0.148 1.00 1.31 H new ATOM 0 HA ARG B 12 9.736 15.843 2.278 1.00 12.33 H new ATOM 0 HB2 ARG B 12 10.617 17.829 1.044 1.00 53.25 H new ATOM 0 HB3 ARG B 12 10.397 16.416 0.032 1.00 53.25 H new ATOM 0 HG2 ARG B 12 8.090 17.442 -0.579 1.00 31.52 H new ATOM 0 HG3 ARG B 12 8.700 18.921 0.136 1.00 31.52 H new ATOM 0 HD2 ARG B 12 9.700 19.384 -1.827 1.00 15.12 H new ATOM 0 HD3 ARG B 12 10.794 18.047 -1.529 1.00 15.12 H new ATOM 0 HE ARG B 12 9.724 16.837 -3.191 1.00 35.11 H new ATOM 0 HH11 ARG B 12 7.599 19.403 -2.023 1.00 63.31 H new ATOM 0 HH12 ARG B 12 6.355 19.083 -3.236 1.00 63.31 H new ATOM 0 HH21 ARG B 12 8.122 16.433 -4.748 1.00 51.11 H new ATOM 0 HH22 ARG B 12 6.649 17.409 -4.771 1.00 51.11 H new ATOM 476 N LYS B 13 7.350 18.094 2.339 1.00 11.54 N ATOM 477 CA LYS B 13 6.711 19.111 3.166 1.00 32.10 C ATOM 478 C LYS B 13 5.334 18.647 3.633 1.00 13.04 C ATOM 479 O LYS B 13 4.539 19.441 4.139 1.00 24.23 O ATOM 480 CB LYS B 13 6.581 20.423 2.387 1.00 12.11 C ATOM 481 CG LYS B 13 7.914 21.088 2.092 1.00 23.41 C ATOM 482 CD LYS B 13 7.811 22.044 0.915 1.00 13.50 C ATOM 483 CE LYS B 13 8.016 23.488 1.351 1.00 25.31 C ATOM 484 NZ LYS B 13 7.276 24.441 0.477 1.00 72.55 N ATOM 0 H LYS B 13 6.827 17.843 1.500 1.00 11.54 H new ATOM 0 HA LYS B 13 7.337 19.276 4.043 1.00 32.10 H new ATOM 0 HB2 LYS B 13 6.065 20.228 1.447 1.00 12.11 H new ATOM 0 HB3 LYS B 13 5.958 21.113 2.955 1.00 12.11 H new ATOM 0 HG2 LYS B 13 8.254 21.631 2.974 1.00 23.41 H new ATOM 0 HG3 LYS B 13 8.663 20.325 1.878 1.00 23.41 H new ATOM 0 HD2 LYS B 13 8.556 21.780 0.164 1.00 13.50 H new ATOM 0 HD3 LYS B 13 6.833 21.940 0.445 1.00 13.50 H new ATOM 0 HE2 LYS B 13 7.683 23.607 2.382 1.00 25.31 H new ATOM 0 HE3 LYS B 13 9.079 23.726 1.330 1.00 25.31 H new ATOM 0 HZ1 LYS B 13 7.441 25.414 0.806 1.00 72.55 H new ATOM 0 HZ2 LYS B 13 7.611 24.346 -0.503 1.00 72.55 H new ATOM 0 HZ3 LYS B 13 6.258 24.230 0.517 1.00 72.55 H new ATOM 498 N LEU B 14 5.060 17.359 3.461 1.00 52.22 N ATOM 499 CA LEU B 14 3.779 16.790 3.867 1.00 14.12 C ATOM 500 C LEU B 14 3.982 15.651 4.862 1.00 60.32 C ATOM 501 O LEU B 14 4.627 14.648 4.552 1.00 12.42 O ATOM 502 CB LEU B 14 3.013 16.283 2.644 1.00 51.34 C ATOM 503 CG LEU B 14 2.063 17.285 1.986 1.00 62.44 C ATOM 504 CD1 LEU B 14 0.870 17.561 2.889 1.00 62.31 C ATOM 505 CD2 LEU B 14 2.795 18.578 1.656 1.00 63.30 C ATOM 0 H LEU B 14 5.706 16.689 3.044 1.00 52.22 H new ATOM 0 HA LEU B 14 3.198 17.574 4.352 1.00 14.12 H new ATOM 0 HB2 LEU B 14 3.736 15.954 1.898 1.00 51.34 H new ATOM 0 HB3 LEU B 14 2.437 15.406 2.939 1.00 51.34 H new ATOM 0 HG LEU B 14 1.696 16.852 1.055 1.00 62.44 H new ATOM 0 HD11 LEU B 14 0.205 18.276 2.405 1.00 62.31 H new ATOM 0 HD12 LEU B 14 0.331 16.632 3.074 1.00 62.31 H new ATOM 0 HD13 LEU B 14 1.218 17.973 3.836 1.00 62.31 H new ATOM 0 HD21 LEU B 14 2.103 19.279 1.189 1.00 63.30 H new ATOM 0 HD22 LEU B 14 3.191 19.016 2.572 1.00 63.30 H new ATOM 0 HD23 LEU B 14 3.616 18.367 0.971 1.00 63.30 H new ATOM 517 N THR B 15 3.423 15.810 6.058 1.00 35.20 N ATOM 518 CA THR B 15 3.541 14.795 7.097 1.00 71.31 C ATOM 519 C THR B 15 2.168 14.319 7.559 1.00 61.23 C ATOM 520 O THR B 15 1.475 15.017 8.301 1.00 50.15 O ATOM 521 CB THR B 15 4.324 15.324 8.313 1.00 0.12 C ATOM 522 OG1 THR B 15 4.243 16.753 8.364 1.00 43.52 O ATOM 523 CG2 THR B 15 5.782 14.897 8.246 1.00 64.34 C ATOM 0 H THR B 15 2.884 16.632 6.331 1.00 35.20 H new ATOM 0 HA THR B 15 4.085 13.958 6.660 1.00 71.31 H new ATOM 0 HB THR B 15 3.879 14.902 9.214 1.00 0.12 H new ATOM 0 HG1 THR B 15 4.742 17.081 9.141 1.00 43.52 H new ATOM 0 HG21 THR B 15 6.314 15.283 9.115 1.00 64.34 H new ATOM 0 HG22 THR B 15 5.842 13.809 8.237 1.00 64.34 H new ATOM 0 HG23 THR B 15 6.236 15.293 7.338 1.00 64.34 H new ATOM 531 N HIS B 16 1.780 13.127 7.117 1.00 53.20 N ATOM 532 CA HIS B 16 0.489 12.558 7.487 1.00 70.54 C ATOM 533 C HIS B 16 0.670 11.342 8.391 1.00 64.30 C ATOM 534 O HIS B 16 1.324 11.422 9.431 1.00 55.32 O ATOM 535 CB HIS B 16 -0.297 12.166 6.236 1.00 12.51 C ATOM 536 CG HIS B 16 -0.517 13.302 5.285 1.00 41.10 C ATOM 537 ND1 HIS B 16 -1.072 13.140 4.034 1.00 2.14 N ATOM 538 CD2 HIS B 16 -0.254 14.623 5.410 1.00 23.11 C ATOM 539 CE1 HIS B 16 -1.140 14.312 3.429 1.00 64.34 C ATOM 540 NE2 HIS B 16 -0.651 15.230 4.243 1.00 54.30 N ATOM 0 H HIS B 16 2.341 12.537 6.503 1.00 53.20 H new ATOM 0 HA HIS B 16 -0.070 13.316 8.035 1.00 70.54 H new ATOM 0 HB2 HIS B 16 0.235 11.368 5.718 1.00 12.51 H new ATOM 0 HB3 HIS B 16 -1.264 11.762 6.536 1.00 12.51 H new ATOM 0 HD1 HIS B 16 -1.382 12.253 3.637 1.00 2.14 H new ATOM 0 HD2 HIS B 16 0.186 15.110 6.268 1.00 23.11 H new ATOM 0 HE1 HIS B 16 -1.529 14.490 2.437 1.00 64.34 H new ATOM 548 N ARG B 17 0.087 10.219 7.987 1.00 33.12 N ATOM 549 CA ARG B 17 0.183 8.987 8.762 1.00 72.52 C ATOM 550 C ARG B 17 0.753 7.854 7.913 1.00 11.05 C ATOM 551 O ARG B 17 1.330 6.901 8.439 1.00 74.14 O ATOM 552 CB ARG B 17 -1.193 8.592 9.303 1.00 13.15 C ATOM 553 CG ARG B 17 -2.141 8.074 8.234 1.00 65.24 C ATOM 554 CD ARG B 17 -3.582 8.452 8.538 1.00 13.41 C ATOM 555 NE ARG B 17 -4.453 8.270 7.379 1.00 22.45 N ATOM 556 CZ ARG B 17 -5.663 8.807 7.277 1.00 70.41 C ATOM 557 NH1 ARG B 17 -6.144 9.557 8.259 1.00 51.12 N ATOM 558 NH2 ARG B 17 -6.395 8.596 6.190 1.00 73.41 N ATOM 0 H ARG B 17 -0.457 10.136 7.128 1.00 33.12 H new ATOM 0 HA ARG B 17 0.858 9.165 9.599 1.00 72.52 H new ATOM 0 HB2 ARG B 17 -1.067 7.825 10.068 1.00 13.15 H new ATOM 0 HB3 ARG B 17 -1.645 9.456 9.790 1.00 13.15 H new ATOM 0 HG2 ARG B 17 -1.854 8.480 7.264 1.00 65.24 H new ATOM 0 HG3 ARG B 17 -2.055 6.990 8.164 1.00 65.24 H new ATOM 0 HD2 ARG B 17 -3.949 7.845 9.366 1.00 13.41 H new ATOM 0 HD3 ARG B 17 -3.623 9.492 8.862 1.00 13.41 H new ATOM 0 HE ARG B 17 -4.113 7.699 6.606 1.00 22.45 H new ATOM 0 HH11 ARG B 17 -5.584 9.723 9.095 1.00 51.12 H new ATOM 0 HH12 ARG B 17 -7.074 9.968 8.178 1.00 51.12 H new ATOM 0 HH21 ARG B 17 -6.028 8.021 5.432 1.00 73.41 H new ATOM 0 HH22 ARG B 17 -7.324 9.009 6.113 1.00 73.41 H new ATOM 572 N LEU B 18 0.587 7.964 6.600 1.00 24.12 N ATOM 573 CA LEU B 18 1.084 6.949 5.678 1.00 72.32 C ATOM 574 C LEU B 18 2.536 6.598 5.988 1.00 34.22 C ATOM 575 O LEU B 18 3.000 5.501 5.674 1.00 41.44 O ATOM 576 CB LEU B 18 0.963 7.440 4.235 1.00 60.54 C ATOM 577 CG LEU B 18 1.445 8.866 3.967 1.00 31.05 C ATOM 578 CD1 LEU B 18 2.964 8.913 3.907 1.00 23.11 C ATOM 579 CD2 LEU B 18 0.842 9.401 2.677 1.00 3.40 C ATOM 0 H LEU B 18 0.112 8.746 6.150 1.00 24.12 H new ATOM 0 HA LEU B 18 0.478 6.052 5.802 1.00 72.32 H new ATOM 0 HB2 LEU B 18 1.525 6.762 3.593 1.00 60.54 H new ATOM 0 HB3 LEU B 18 -0.083 7.369 3.935 1.00 60.54 H new ATOM 0 HG LEU B 18 1.114 9.501 4.789 1.00 31.05 H new ATOM 0 HD11 LEU B 18 3.289 9.936 3.715 1.00 23.11 H new ATOM 0 HD12 LEU B 18 3.376 8.573 4.857 1.00 23.11 H new ATOM 0 HD13 LEU B 18 3.317 8.264 3.105 1.00 23.11 H new ATOM 0 HD21 LEU B 18 1.197 10.417 2.503 1.00 3.40 H new ATOM 0 HD22 LEU B 18 1.141 8.765 1.844 1.00 3.40 H new ATOM 0 HD23 LEU B 18 -0.245 9.405 2.758 1.00 3.40 H new ATOM 591 N PHE B 19 3.248 7.534 6.606 1.00 11.44 N ATOM 592 CA PHE B 19 4.647 7.323 6.958 1.00 74.13 C ATOM 593 C PHE B 19 4.844 5.956 7.608 1.00 51.34 C ATOM 594 O PHE B 19 5.526 5.090 7.062 1.00 10.43 O ATOM 595 CB PHE B 19 5.127 8.425 7.905 1.00 65.41 C ATOM 596 CG PHE B 19 6.430 8.106 8.582 1.00 31.01 C ATOM 597 CD1 PHE B 19 6.629 8.424 9.917 1.00 15.02 C ATOM 598 CD2 PHE B 19 7.456 7.490 7.885 1.00 62.24 C ATOM 599 CE1 PHE B 19 7.826 8.132 10.543 1.00 51.10 C ATOM 600 CE2 PHE B 19 8.656 7.195 8.506 1.00 43.03 C ATOM 601 CZ PHE B 19 8.841 7.518 9.836 1.00 42.35 C ATOM 0 H PHE B 19 2.879 8.447 6.874 1.00 11.44 H new ATOM 0 HA PHE B 19 5.236 7.358 6.042 1.00 74.13 H new ATOM 0 HB2 PHE B 19 5.235 9.353 7.344 1.00 65.41 H new ATOM 0 HB3 PHE B 19 4.365 8.598 8.664 1.00 65.41 H new ATOM 0 HD1 PHE B 19 5.839 8.906 10.474 1.00 15.02 H new ATOM 0 HD2 PHE B 19 7.317 7.237 6.844 1.00 62.24 H new ATOM 0 HE1 PHE B 19 7.967 8.384 11.584 1.00 51.10 H new ATOM 0 HE2 PHE B 19 9.447 6.713 7.952 1.00 43.03 H new ATOM 0 HZ PHE B 19 9.778 7.291 10.322 1.00 42.35 H new ATOM 611 N ARG B 20 4.241 5.772 8.778 1.00 54.34 N ATOM 612 CA ARG B 20 4.349 4.512 9.504 1.00 72.41 C ATOM 613 C ARG B 20 3.073 3.690 9.361 1.00 44.41 C ATOM 614 O ARG B 20 3.091 2.467 9.507 1.00 12.14 O ATOM 615 CB ARG B 20 4.636 4.775 10.984 1.00 55.44 C ATOM 616 CG ARG B 20 3.611 5.677 11.651 1.00 51.22 C ATOM 617 CD ARG B 20 4.252 6.949 12.184 1.00 41.24 C ATOM 618 NE ARG B 20 3.537 7.477 13.343 1.00 63.53 N ATOM 619 CZ ARG B 20 3.575 6.917 14.547 1.00 71.21 C ATOM 620 NH1 ARG B 20 4.288 5.818 14.749 1.00 73.22 N ATOM 621 NH2 ARG B 20 2.898 7.457 15.554 1.00 23.14 N ATOM 0 H ARG B 20 3.673 6.480 9.244 1.00 54.34 H new ATOM 0 HA ARG B 20 5.175 3.945 9.075 1.00 72.41 H new ATOM 0 HB2 ARG B 20 4.669 3.823 11.514 1.00 55.44 H new ATOM 0 HB3 ARG B 20 5.623 5.228 11.079 1.00 55.44 H new ATOM 0 HG2 ARG B 20 2.830 5.934 10.935 1.00 51.22 H new ATOM 0 HG3 ARG B 20 3.130 5.140 12.469 1.00 51.22 H new ATOM 0 HD2 ARG B 20 5.287 6.746 12.458 1.00 41.24 H new ATOM 0 HD3 ARG B 20 4.273 7.702 11.396 1.00 41.24 H new ATOM 0 HE ARG B 20 2.978 8.322 13.221 1.00 63.53 H new ATOM 0 HH11 ARG B 20 4.810 5.400 13.979 1.00 73.22 H new ATOM 0 HH12 ARG B 20 4.315 5.391 15.675 1.00 73.22 H new ATOM 0 HH21 ARG B 20 2.348 8.303 15.403 1.00 23.14 H new ATOM 0 HH22 ARG B 20 2.928 7.026 16.478 1.00 23.14 H new ATOM 635 N ARG B 21 1.967 4.368 9.073 1.00 12.23 N ATOM 636 CA ARG B 21 0.681 3.700 8.911 1.00 40.31 C ATOM 637 C ARG B 21 0.632 2.926 7.596 1.00 42.14 C ATOM 638 O ARG B 21 -0.229 2.070 7.401 1.00 3.44 O ATOM 639 CB ARG B 21 -0.457 4.720 8.958 1.00 74.10 C ATOM 640 CG ARG B 21 -1.762 4.154 9.496 1.00 23.32 C ATOM 641 CD ARG B 21 -2.222 4.901 10.738 1.00 63.22 C ATOM 642 NE ARG B 21 -3.672 5.055 10.777 1.00 41.25 N ATOM 643 CZ ARG B 21 -4.306 5.840 11.643 1.00 73.42 C ATOM 644 NH1 ARG B 21 -3.617 6.536 12.537 1.00 54.24 N ATOM 645 NH2 ARG B 21 -5.629 5.928 11.616 1.00 0.24 N ATOM 0 H ARG B 21 1.935 5.380 8.947 1.00 12.23 H new ATOM 0 HA ARG B 21 0.560 2.994 9.733 1.00 40.31 H new ATOM 0 HB2 ARG B 21 -0.153 5.562 9.579 1.00 74.10 H new ATOM 0 HB3 ARG B 21 -0.626 5.109 7.954 1.00 74.10 H new ATOM 0 HG2 ARG B 21 -2.532 4.216 8.727 1.00 23.32 H new ATOM 0 HG3 ARG B 21 -1.632 3.098 9.732 1.00 23.32 H new ATOM 0 HD2 ARG B 21 -1.890 4.365 11.627 1.00 63.22 H new ATOM 0 HD3 ARG B 21 -1.752 5.884 10.765 1.00 63.22 H new ATOM 0 HE ARG B 21 -4.230 4.532 10.103 1.00 41.25 H new ATOM 0 HH11 ARG B 21 -2.599 6.470 12.561 1.00 54.24 H new ATOM 0 HH12 ARG B 21 -4.105 7.138 13.201 1.00 54.24 H new ATOM 0 HH21 ARG B 21 -6.162 5.393 10.930 1.00 0.24 H new ATOM 0 HH22 ARG B 21 -6.114 6.531 12.281 1.00 0.24 H new ATOM 659 N ASN B 22 1.562 3.235 6.699 1.00 22.41 N ATOM 660 CA ASN B 22 1.624 2.570 5.402 1.00 23.41 C ATOM 661 C ASN B 22 2.984 1.910 5.194 1.00 13.42 C ATOM 662 O ASN B 22 3.071 0.706 4.953 1.00 71.43 O ATOM 663 CB ASN B 22 1.353 3.572 4.278 1.00 22.13 C ATOM 664 CG ASN B 22 0.172 3.169 3.417 1.00 1.03 C ATOM 665 OD1 ASN B 22 -0.979 3.450 3.753 1.00 44.21 O ATOM 666 ND2 ASN B 22 0.452 2.509 2.300 1.00 72.24 N ATOM 0 H ASN B 22 2.283 3.941 6.846 1.00 22.41 H new ATOM 0 HA ASN B 22 0.857 1.796 5.381 1.00 23.41 H new ATOM 0 HB2 ASN B 22 1.166 4.556 4.709 1.00 22.13 H new ATOM 0 HB3 ASN B 22 2.241 3.662 3.653 1.00 22.13 H new ATOM 0 HD21 ASN B 22 -0.302 2.213 1.680 1.00 72.24 H new ATOM 0 HD22 ASN B 22 1.421 2.298 2.062 1.00 72.24 H new ATOM 673 N PHE B 23 4.042 2.707 5.290 1.00 73.12 N ATOM 674 CA PHE B 23 5.399 2.201 5.111 1.00 73.21 C ATOM 675 C PHE B 23 6.012 1.804 6.451 1.00 1.43 C ATOM 676 O PHE B 23 7.218 1.585 6.553 1.00 25.35 O ATOM 677 CB PHE B 23 6.273 3.255 4.429 1.00 71.53 C ATOM 678 CG PHE B 23 5.841 3.578 3.028 1.00 4.15 C ATOM 679 CD1 PHE B 23 6.172 2.741 1.975 1.00 32.42 C ATOM 680 CD2 PHE B 23 5.102 4.722 2.763 1.00 11.01 C ATOM 681 CE1 PHE B 23 5.773 3.035 0.684 1.00 45.14 C ATOM 682 CE2 PHE B 23 4.701 5.020 1.475 1.00 72.35 C ATOM 683 CZ PHE B 23 5.039 4.177 0.434 1.00 14.53 C ATOM 0 H PHE B 23 3.987 3.706 5.491 1.00 73.12 H new ATOM 0 HA PHE B 23 5.350 1.315 4.477 1.00 73.21 H new ATOM 0 HB2 PHE B 23 6.258 4.168 5.024 1.00 71.53 H new ATOM 0 HB3 PHE B 23 7.304 2.903 4.410 1.00 71.53 H new ATOM 0 HD1 PHE B 23 6.749 1.848 2.165 1.00 32.42 H new ATOM 0 HD2 PHE B 23 4.837 5.387 3.572 1.00 11.01 H new ATOM 0 HE1 PHE B 23 6.035 2.372 -0.127 1.00 45.14 H new ATOM 0 HE2 PHE B 23 4.123 5.912 1.282 1.00 72.35 H new ATOM 0 HZ PHE B 23 4.729 4.411 -0.574 1.00 14.53 H new ATOM 693 N GLY B 24 5.171 1.714 7.476 1.00 71.12 N ATOM 694 CA GLY B 24 5.647 1.345 8.796 1.00 2.42 C ATOM 695 C GLY B 24 5.209 -0.049 9.202 1.00 0.52 C ATOM 696 O GLY B 24 5.767 -0.637 10.127 1.00 62.30 O ATOM 0 H GLY B 24 4.168 1.890 7.416 1.00 71.12 H new ATOM 0 HA2 GLY B 24 6.735 1.400 8.815 1.00 2.42 H new ATOM 0 HA3 GLY B 24 5.278 2.065 9.526 1.00 2.42 H new ATOM 700 N TYR B 25 4.205 -0.576 8.510 1.00 62.22 N ATOM 701 CA TYR B 25 3.689 -1.907 8.806 1.00 34.34 C ATOM 702 C TYR B 25 4.587 -2.985 8.206 1.00 53.13 C ATOM 703 O TYR B 25 4.477 -4.164 8.548 1.00 62.24 O ATOM 704 CB TYR B 25 2.266 -2.057 8.268 1.00 4.13 C ATOM 705 CG TYR B 25 1.224 -2.231 9.350 1.00 41.54 C ATOM 706 CD1 TYR B 25 0.289 -3.256 9.284 1.00 52.05 C ATOM 707 CD2 TYR B 25 1.175 -1.370 10.440 1.00 33.10 C ATOM 708 CE1 TYR B 25 -0.665 -3.419 10.269 1.00 64.11 C ATOM 709 CE2 TYR B 25 0.226 -1.527 11.431 1.00 51.24 C ATOM 710 CZ TYR B 25 -0.692 -2.552 11.342 1.00 50.13 C ATOM 711 OH TYR B 25 -1.639 -2.710 12.326 1.00 10.30 O ATOM 0 H TYR B 25 3.732 -0.102 7.740 1.00 62.22 H new ATOM 0 HA TYR B 25 3.676 -2.031 9.889 1.00 34.34 H new ATOM 0 HB2 TYR B 25 2.017 -1.178 7.674 1.00 4.13 H new ATOM 0 HB3 TYR B 25 2.229 -2.916 7.598 1.00 4.13 H new ATOM 0 HD1 TYR B 25 0.308 -3.938 8.447 1.00 52.05 H new ATOM 0 HD2 TYR B 25 1.891 -0.565 10.513 1.00 33.10 H new ATOM 0 HE1 TYR B 25 -1.386 -4.220 10.200 1.00 64.11 H new ATOM 0 HE2 TYR B 25 0.203 -0.850 12.272 1.00 51.24 H new ATOM 0 HH TYR B 25 -1.519 -2.018 13.009 1.00 10.30 H new ATOM 721 N THR B 26 5.478 -2.573 7.309 1.00 75.22 N ATOM 722 CA THR B 26 6.395 -3.502 6.661 1.00 54.11 C ATOM 723 C THR B 26 7.660 -3.694 7.489 1.00 53.22 C ATOM 724 O THR B 26 8.036 -4.821 7.814 1.00 2.30 O ATOM 725 CB THR B 26 6.787 -3.012 5.254 1.00 53.50 C ATOM 726 OG1 THR B 26 5.887 -3.553 4.279 1.00 21.50 O ATOM 727 CG2 THR B 26 8.213 -3.422 4.917 1.00 12.53 C ATOM 0 H THR B 26 5.584 -1.602 7.015 1.00 75.22 H new ATOM 0 HA THR B 26 5.872 -4.455 6.575 1.00 54.11 H new ATOM 0 HB THR B 26 6.725 -1.924 5.241 1.00 53.50 H new ATOM 0 HG1 THR B 26 6.141 -3.236 3.387 1.00 21.50 H new ATOM 0 HG21 THR B 26 8.468 -3.065 3.919 1.00 12.53 H new ATOM 0 HG22 THR B 26 8.898 -2.986 5.644 1.00 12.53 H new ATOM 0 HG23 THR B 26 8.296 -4.508 4.946 1.00 12.53 H new ATOM 735 N LEU B 27 8.312 -2.588 7.831 1.00 40.11 N ATOM 736 CA LEU B 27 9.536 -2.635 8.624 1.00 31.24 C ATOM 737 C LEU B 27 9.234 -3.024 10.067 1.00 71.11 C ATOM 738 O LEU B 27 10.139 -3.114 10.898 1.00 12.34 O ATOM 739 CB LEU B 27 10.243 -1.279 8.586 1.00 53.42 C ATOM 740 CG LEU B 27 11.754 -1.318 8.352 1.00 71.11 C ATOM 741 CD1 LEU B 27 12.352 0.074 8.493 1.00 23.20 C ATOM 742 CD2 LEU B 27 12.419 -2.286 9.319 1.00 15.32 C ATOM 0 H LEU B 27 8.014 -1.648 7.572 1.00 40.11 H new ATOM 0 HA LEU B 27 10.191 -3.392 8.193 1.00 31.24 H new ATOM 0 HB2 LEU B 27 9.789 -0.676 7.799 1.00 53.42 H new ATOM 0 HB3 LEU B 27 10.054 -0.766 9.529 1.00 53.42 H new ATOM 0 HG LEU B 27 11.936 -1.669 7.336 1.00 71.11 H new ATOM 0 HD11 LEU B 27 13.428 0.027 8.323 1.00 23.20 H new ATOM 0 HD12 LEU B 27 11.898 0.741 7.760 1.00 23.20 H new ATOM 0 HD13 LEU B 27 12.159 0.453 9.497 1.00 23.20 H new ATOM 0 HD21 LEU B 27 13.494 -2.301 9.138 1.00 15.32 H new ATOM 0 HD22 LEU B 27 12.228 -1.966 10.343 1.00 15.32 H new ATOM 0 HD23 LEU B 27 12.012 -3.286 9.170 1.00 15.32 H new ATOM 754 N ARG B 28 7.958 -3.255 10.358 1.00 42.12 N ATOM 755 CA ARG B 28 7.537 -3.636 11.702 1.00 5.14 C ATOM 756 C ARG B 28 8.073 -5.017 12.068 1.00 54.30 C ATOM 757 O ARG B 28 7.522 -6.037 11.652 1.00 33.45 O ATOM 758 CB ARG B 28 6.012 -3.624 11.804 1.00 53.45 C ATOM 759 CG ARG B 28 5.487 -2.838 12.995 1.00 15.04 C ATOM 760 CD ARG B 28 4.072 -3.260 13.360 1.00 65.53 C ATOM 761 NE ARG B 28 4.048 -4.142 14.524 1.00 32.02 N ATOM 762 CZ ARG B 28 2.958 -4.373 15.248 1.00 33.20 C ATOM 763 NH1 ARG B 28 1.812 -3.789 14.931 1.00 23.43 N ATOM 764 NH2 ARG B 28 3.016 -5.188 16.293 1.00 12.44 N ATOM 0 H ARG B 28 7.198 -3.185 9.682 1.00 42.12 H new ATOM 0 HA ARG B 28 7.946 -2.909 12.404 1.00 5.14 H new ATOM 0 HB2 ARG B 28 5.598 -3.200 10.889 1.00 53.45 H new ATOM 0 HB3 ARG B 28 5.653 -4.651 11.870 1.00 53.45 H new ATOM 0 HG2 ARG B 28 6.145 -2.989 13.851 1.00 15.04 H new ATOM 0 HG3 ARG B 28 5.502 -1.773 12.765 1.00 15.04 H new ATOM 0 HD2 ARG B 28 3.470 -2.374 13.564 1.00 65.53 H new ATOM 0 HD3 ARG B 28 3.614 -3.768 12.511 1.00 65.53 H new ATOM 0 HE ARG B 28 4.915 -4.606 14.796 1.00 32.02 H new ATOM 0 HH11 ARG B 28 1.765 -3.160 14.129 1.00 23.43 H new ATOM 0 HH12 ARG B 28 0.977 -3.968 15.489 1.00 23.43 H new ATOM 0 HH21 ARG B 28 3.897 -5.637 16.541 1.00 12.44 H new ATOM 0 HH22 ARG B 28 2.179 -5.365 16.849 1.00 12.44 H new TER 778 ARG B 28