USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 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 Set 1.1: A 9 CYS SG : rot 180:sc= -1.92! USER MOD Set 1.2: B 9 ASN :FLIP amide:sc= -0.286 F(o=-3.3,f=-2.2) USER MOD Set 2.1: A 1 VAL N :NH3+ -160:sc= -0.0936 (180deg=-0.569) USER MOD Set 2.2: B 22 ASN : amide:sc= -0.266 K(o=-0.36,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.173 (180deg=-0.784) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ 180:sc= 0 (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 -82:sc= -0.439! USER MOD Single : B 6 THR OG1 : rot 147:sc= 1.42 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.076 USER MOD Single : B 16 HIS : no HD1: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 0.069 -0.364 -0.905 1.00 3.00 N ATOM 2 CA VAL A 1 0.686 0.540 -1.869 1.00 12.15 C ATOM 3 C VAL A 1 2.124 0.863 -1.478 1.00 60.45 C ATOM 4 O VAL A 1 2.367 1.697 -0.605 1.00 23.12 O ATOM 5 CB VAL A 1 -0.108 1.853 -1.995 1.00 64.02 C ATOM 6 CG1 VAL A 1 0.513 2.754 -3.052 1.00 1.04 C ATOM 7 CG2 VAL A 1 -1.566 1.565 -2.319 1.00 65.55 C ATOM 0 H1 VAL A 1 -0.751 -0.831 -1.342 1.00 3.00 H new ATOM 0 H2 VAL A 1 0.761 -1.083 -0.611 1.00 3.00 H new ATOM 0 H3 VAL A 1 -0.243 0.176 -0.073 1.00 3.00 H new ATOM 0 HA VAL A 1 0.681 0.028 -2.831 1.00 12.15 H new ATOM 0 HB VAL A 1 -0.068 2.374 -1.038 1.00 64.02 H new ATOM 0 HG11 VAL A 1 -0.062 3.677 -3.127 1.00 1.04 H new ATOM 0 HG12 VAL A 1 1.540 2.988 -2.773 1.00 1.04 H new ATOM 0 HG13 VAL A 1 0.506 2.243 -4.015 1.00 1.04 H new ATOM 0 HG21 VAL A 1 -2.112 2.504 -2.404 1.00 65.55 H new ATOM 0 HG22 VAL A 1 -1.629 1.022 -3.262 1.00 65.55 H new ATOM 0 HG23 VAL A 1 -2.003 0.962 -1.523 1.00 65.55 H new ATOM 17 N ALA A 2 3.073 0.199 -2.129 1.00 13.41 N ATOM 18 CA ALA A 2 4.487 0.417 -1.851 1.00 52.42 C ATOM 19 C ALA A 2 5.222 0.901 -3.096 1.00 41.15 C ATOM 20 O ALA A 2 5.998 0.159 -3.697 1.00 74.40 O ATOM 21 CB ALA A 2 5.123 -0.860 -1.321 1.00 54.34 C ATOM 0 H ALA A 2 2.888 -0.495 -2.853 1.00 13.41 H new ATOM 0 HA ALA A 2 4.568 1.193 -1.089 1.00 52.42 H new ATOM 0 HB1 ALA A 2 6.179 -0.683 -1.118 1.00 54.34 H new ATOM 0 HB2 ALA A 2 4.622 -1.162 -0.401 1.00 54.34 H new ATOM 0 HB3 ALA A 2 5.024 -1.651 -2.064 1.00 54.34 H new ATOM 27 N ARG A 3 4.974 2.150 -3.475 1.00 33.15 N ATOM 28 CA ARG A 3 5.612 2.733 -4.650 1.00 73.43 C ATOM 29 C ARG A 3 6.413 3.974 -4.274 1.00 31.15 C ATOM 30 O ARG A 3 7.125 4.541 -5.103 1.00 61.11 O ATOM 31 CB ARG A 3 4.561 3.090 -5.704 1.00 33.51 C ATOM 32 CG ARG A 3 3.187 2.505 -5.415 1.00 73.33 C ATOM 33 CD ARG A 3 2.176 2.912 -6.475 1.00 73.42 C ATOM 34 NE ARG A 3 2.497 2.350 -7.784 1.00 32.31 N ATOM 35 CZ ARG A 3 2.317 1.072 -8.100 1.00 75.45 C ATOM 36 NH1 ARG A 3 1.821 0.229 -7.205 1.00 3.43 N ATOM 37 NH2 ARG A 3 2.634 0.636 -9.312 1.00 72.11 N ATOM 0 H ARG A 3 4.336 2.778 -2.986 1.00 33.15 H new ATOM 0 HA ARG A 3 6.296 1.993 -5.066 1.00 73.43 H new ATOM 0 HB2 ARG A 3 4.478 4.175 -5.770 1.00 33.51 H new ATOM 0 HB3 ARG A 3 4.900 2.736 -6.678 1.00 33.51 H new ATOM 0 HG2 ARG A 3 3.254 1.418 -5.373 1.00 73.33 H new ATOM 0 HG3 ARG A 3 2.845 2.841 -4.436 1.00 73.33 H new ATOM 0 HD2 ARG A 3 1.182 2.582 -6.173 1.00 73.42 H new ATOM 0 HD3 ARG A 3 2.143 3.999 -6.546 1.00 73.42 H new ATOM 0 HE ARG A 3 2.881 2.973 -8.495 1.00 32.31 H new ATOM 0 HH11 ARG A 3 1.577 0.561 -6.272 1.00 3.43 H new ATOM 0 HH12 ARG A 3 1.684 -0.752 -7.449 1.00 3.43 H new ATOM 0 HH21 ARG A 3 3.016 1.282 -10.003 1.00 72.11 H new ATOM 0 HH22 ARG A 3 2.495 -0.345 -9.553 1.00 72.11 H new ATOM 51 N GLY A 4 6.292 4.393 -3.018 1.00 70.31 N ATOM 52 CA GLY A 4 7.009 5.567 -2.554 1.00 10.21 C ATOM 53 C GLY A 4 8.348 5.220 -1.934 1.00 52.02 C ATOM 54 O GLY A 4 9.132 6.106 -1.595 1.00 44.44 O ATOM 0 H GLY A 4 5.710 3.940 -2.313 1.00 70.31 H new ATOM 0 HA2 GLY A 4 7.165 6.248 -3.391 1.00 10.21 H new ATOM 0 HA3 GLY A 4 6.399 6.096 -1.822 1.00 10.21 H new ATOM 58 N TRP A 5 8.611 3.926 -1.785 1.00 61.33 N ATOM 59 CA TRP A 5 9.865 3.464 -1.200 1.00 33.41 C ATOM 60 C TRP A 5 10.651 2.617 -2.195 1.00 33.12 C ATOM 61 O TRP A 5 11.877 2.534 -2.122 1.00 2.53 O ATOM 62 CB TRP A 5 9.592 2.658 0.071 1.00 62.22 C ATOM 63 CG TRP A 5 9.456 3.509 1.296 1.00 72.32 C ATOM 64 CD1 TRP A 5 9.355 4.870 1.342 1.00 13.45 C ATOM 65 CD2 TRP A 5 9.409 3.055 2.654 1.00 42.33 C ATOM 66 NE1 TRP A 5 9.248 5.290 2.647 1.00 43.43 N ATOM 67 CE2 TRP A 5 9.277 4.196 3.470 1.00 61.12 C ATOM 68 CE3 TRP A 5 9.463 1.797 3.259 1.00 73.12 C ATOM 69 CZ2 TRP A 5 9.200 4.113 4.858 1.00 3.41 C ATOM 70 CZ3 TRP A 5 9.387 1.717 4.637 1.00 2.35 C ATOM 71 CH2 TRP A 5 9.256 2.868 5.424 1.00 51.44 C ATOM 0 H TRP A 5 7.973 3.179 -2.061 1.00 61.33 H new ATOM 0 HA TRP A 5 10.462 4.339 -0.946 1.00 33.41 H new ATOM 0 HB2 TRP A 5 8.678 2.079 -0.064 1.00 62.22 H new ATOM 0 HB3 TRP A 5 10.402 1.944 0.221 1.00 62.22 H new ATOM 0 HD1 TRP A 5 9.359 5.521 0.480 1.00 13.45 H new ATOM 0 HE1 TRP A 5 9.161 6.259 2.952 1.00 43.43 H new ATOM 0 HE3 TRP A 5 9.562 0.903 2.661 1.00 73.12 H new ATOM 0 HZ2 TRP A 5 9.100 5.000 5.466 1.00 3.41 H new ATOM 0 HZ3 TRP A 5 9.429 0.750 5.115 1.00 2.35 H new ATOM 0 HH2 TRP A 5 9.198 2.771 6.498 1.00 51.44 H new ATOM 82 N LYS A 6 9.938 1.991 -3.125 1.00 3.24 N ATOM 83 CA LYS A 6 10.569 1.151 -4.136 1.00 74.20 C ATOM 84 C LYS A 6 10.610 1.863 -5.486 1.00 31.32 C ATOM 85 O LYS A 6 11.680 2.052 -6.065 1.00 13.24 O ATOM 86 CB LYS A 6 9.816 -0.175 -4.270 1.00 2.44 C ATOM 87 CG LYS A 6 10.153 -1.178 -3.180 1.00 34.54 C ATOM 88 CD LYS A 6 11.655 -1.370 -3.044 1.00 53.31 C ATOM 89 CE LYS A 6 12.024 -2.844 -2.986 1.00 14.41 C ATOM 90 NZ LYS A 6 11.573 -3.579 -4.200 1.00 55.14 N ATOM 0 H LYS A 6 8.922 2.050 -3.200 1.00 3.24 H new ATOM 0 HA LYS A 6 11.592 0.950 -3.819 1.00 74.20 H new ATOM 0 HB2 LYS A 6 8.744 0.022 -4.252 1.00 2.44 H new ATOM 0 HB3 LYS A 6 10.043 -0.616 -5.241 1.00 2.44 H new ATOM 0 HG2 LYS A 6 9.741 -0.837 -2.230 1.00 34.54 H new ATOM 0 HG3 LYS A 6 9.682 -2.135 -3.406 1.00 34.54 H new ATOM 0 HD2 LYS A 6 12.161 -0.900 -3.887 1.00 53.31 H new ATOM 0 HD3 LYS A 6 12.007 -0.870 -2.142 1.00 53.31 H new ATOM 0 HE2 LYS A 6 13.104 -2.944 -2.882 1.00 14.41 H new ATOM 0 HE3 LYS A 6 11.576 -3.296 -2.101 1.00 14.41 H new ATOM 0 HZ1 LYS A 6 12.249 -4.339 -4.417 1.00 55.14 H new ATOM 0 HZ2 LYS A 6 10.633 -3.990 -4.028 1.00 55.14 H new ATOM 0 HZ3 LYS A 6 11.521 -2.922 -5.004 1.00 55.14 H new ATOM 104 N ARG A 7 9.440 2.256 -5.978 1.00 32.10 N ATOM 105 CA ARG A 7 9.343 2.946 -7.258 1.00 51.12 C ATOM 106 C ARG A 7 9.951 4.343 -7.169 1.00 71.40 C ATOM 107 O ARG A 7 10.748 4.741 -8.021 1.00 64.12 O ATOM 108 CB ARG A 7 7.882 3.041 -7.702 1.00 61.24 C ATOM 109 CG ARG A 7 7.703 3.034 -9.211 1.00 52.05 C ATOM 110 CD ARG A 7 6.818 1.881 -9.661 1.00 72.13 C ATOM 111 NE ARG A 7 6.095 2.194 -10.890 1.00 54.44 N ATOM 112 CZ ARG A 7 5.516 1.275 -11.656 1.00 23.54 C ATOM 113 NH1 ARG A 7 5.574 -0.005 -11.319 1.00 13.44 N ATOM 114 NH2 ARG A 7 4.877 1.637 -12.761 1.00 31.51 N ATOM 0 H ARG A 7 8.546 2.108 -5.510 1.00 32.10 H new ATOM 0 HA ARG A 7 9.902 2.371 -7.996 1.00 51.12 H new ATOM 0 HB2 ARG A 7 7.326 2.206 -7.275 1.00 61.24 H new ATOM 0 HB3 ARG A 7 7.447 3.955 -7.297 1.00 61.24 H new ATOM 0 HG2 ARG A 7 7.263 3.978 -9.531 1.00 52.05 H new ATOM 0 HG3 ARG A 7 8.677 2.957 -9.694 1.00 52.05 H new ATOM 0 HD2 ARG A 7 7.431 0.993 -9.817 1.00 72.13 H new ATOM 0 HD3 ARG A 7 6.105 1.642 -8.872 1.00 72.13 H new ATOM 0 HE ARG A 7 6.031 3.171 -11.176 1.00 54.44 H new ATOM 0 HH11 ARG A 7 6.064 -0.287 -10.470 1.00 13.44 H new ATOM 0 HH12 ARG A 7 5.129 -0.708 -11.909 1.00 13.44 H new ATOM 0 HH21 ARG A 7 4.830 2.622 -13.023 1.00 31.51 H new ATOM 0 HH22 ARG A 7 4.433 0.931 -13.348 1.00 31.51 H new ATOM 128 N LYS A 8 9.569 5.084 -6.134 1.00 52.25 N ATOM 129 CA LYS A 8 10.076 6.436 -5.933 1.00 52.20 C ATOM 130 C LYS A 8 11.601 6.446 -5.901 1.00 54.05 C ATOM 131 O LYS A 8 12.249 6.830 -6.876 1.00 5.32 O ATOM 132 CB LYS A 8 9.525 7.020 -4.630 1.00 32.22 C ATOM 133 CG LYS A 8 8.505 8.125 -4.843 1.00 51.41 C ATOM 134 CD LYS A 8 7.287 7.623 -5.600 1.00 1.11 C ATOM 135 CE LYS A 8 6.942 8.532 -6.770 1.00 32.10 C ATOM 136 NZ LYS A 8 5.560 8.297 -7.267 1.00 63.32 N ATOM 0 H LYS A 8 8.910 4.771 -5.421 1.00 52.25 H new ATOM 0 HA LYS A 8 9.743 7.050 -6.770 1.00 52.20 H new ATOM 0 HB2 LYS A 8 9.066 6.220 -4.049 1.00 32.22 H new ATOM 0 HB3 LYS A 8 10.353 7.410 -4.038 1.00 32.22 H new ATOM 0 HG2 LYS A 8 8.195 8.526 -3.878 1.00 51.41 H new ATOM 0 HG3 LYS A 8 8.965 8.944 -5.395 1.00 51.41 H new ATOM 0 HD2 LYS A 8 7.476 6.614 -5.966 1.00 1.11 H new ATOM 0 HD3 LYS A 8 6.436 7.562 -4.922 1.00 1.11 H new ATOM 0 HE2 LYS A 8 7.045 9.573 -6.464 1.00 32.10 H new ATOM 0 HE3 LYS A 8 7.652 8.366 -7.580 1.00 32.10 H new ATOM 0 HZ1 LYS A 8 5.364 8.936 -8.064 1.00 63.32 H new ATOM 0 HZ2 LYS A 8 5.468 7.311 -7.583 1.00 63.32 H new ATOM 0 HZ3 LYS A 8 4.880 8.480 -6.502 1.00 63.32 H new ATOM 150 N CYS A 9 12.169 6.023 -4.777 1.00 13.33 N ATOM 151 CA CYS A 9 13.617 5.983 -4.620 1.00 75.22 C ATOM 152 C CYS A 9 14.093 4.566 -4.317 1.00 63.21 C ATOM 153 O CYS A 9 13.723 3.962 -3.310 1.00 2.11 O ATOM 154 CB CYS A 9 14.056 6.930 -3.501 1.00 51.45 C ATOM 155 SG CYS A 9 15.319 8.125 -3.999 1.00 72.55 S ATOM 0 H CYS A 9 11.648 5.703 -3.961 1.00 13.33 H new ATOM 0 HA CYS A 9 14.068 6.306 -5.559 1.00 75.22 H new ATOM 0 HB2 CYS A 9 13.184 7.471 -3.134 1.00 51.45 H new ATOM 0 HB3 CYS A 9 14.438 6.339 -2.668 1.00 51.45 H new ATOM 0 HG CYS A 9 15.623 8.882 -2.987 1.00 72.55 H new ATOM 161 N PRO A 10 14.932 4.020 -5.210 1.00 12.51 N ATOM 162 CA PRO A 10 15.475 2.666 -5.061 1.00 1.22 C ATOM 163 C PRO A 10 16.474 2.566 -3.913 1.00 55.43 C ATOM 164 O PRO A 10 17.493 1.882 -4.022 1.00 32.12 O ATOM 165 CB PRO A 10 16.172 2.414 -6.401 1.00 10.31 C ATOM 166 CG PRO A 10 16.512 3.772 -6.912 1.00 12.21 C ATOM 167 CD PRO A 10 15.415 4.682 -6.433 1.00 74.31 C ATOM 0 HA PRO A 10 14.698 1.938 -4.826 1.00 1.22 H new ATOM 0 HB2 PRO A 10 17.066 1.804 -6.274 1.00 10.31 H new ATOM 0 HB3 PRO A 10 15.519 1.882 -7.093 1.00 10.31 H new ATOM 0 HG2 PRO A 10 17.482 4.099 -6.536 1.00 12.21 H new ATOM 0 HG3 PRO A 10 16.574 3.775 -8.000 1.00 12.21 H new ATOM 0 HD2 PRO A 10 15.787 5.686 -6.227 1.00 74.31 H new ATOM 0 HD3 PRO A 10 14.623 4.782 -7.175 1.00 74.31 H new ATOM 175 N LEU A 11 16.177 3.250 -2.815 1.00 64.02 N ATOM 176 CA LEU A 11 17.049 3.237 -1.646 1.00 14.22 C ATOM 177 C LEU A 11 16.541 2.252 -0.597 1.00 21.33 C ATOM 178 O LEU A 11 17.277 1.374 -0.146 1.00 21.30 O ATOM 179 CB LEU A 11 17.145 4.639 -1.041 1.00 11.33 C ATOM 180 CG LEU A 11 18.248 5.538 -1.604 1.00 2.44 C ATOM 181 CD1 LEU A 11 17.724 6.949 -1.822 1.00 43.10 C ATOM 182 CD2 LEU A 11 19.451 5.552 -0.673 1.00 20.43 C ATOM 0 H LEU A 11 15.339 3.821 -2.709 1.00 64.02 H new ATOM 0 HA LEU A 11 18.040 2.917 -1.967 1.00 14.22 H new ATOM 0 HB2 LEU A 11 16.188 5.140 -1.182 1.00 11.33 H new ATOM 0 HB3 LEU A 11 17.298 4.540 0.034 1.00 11.33 H new ATOM 0 HG LEU A 11 18.564 5.136 -2.567 1.00 2.44 H new ATOM 0 HD11 LEU A 11 18.521 7.575 -2.223 1.00 43.10 H new ATOM 0 HD12 LEU A 11 16.893 6.924 -2.527 1.00 43.10 H new ATOM 0 HD13 LEU A 11 17.382 7.361 -0.873 1.00 43.10 H new ATOM 0 HD21 LEU A 11 20.226 6.196 -1.089 1.00 20.43 H new ATOM 0 HD22 LEU A 11 19.151 5.930 0.304 1.00 20.43 H new ATOM 0 HD23 LEU A 11 19.840 4.539 -0.566 1.00 20.43 H new ATOM 194 N PHE A 12 15.278 2.403 -0.215 1.00 11.02 N ATOM 195 CA PHE A 12 14.670 1.526 0.780 1.00 34.33 C ATOM 196 C PHE A 12 14.917 0.060 0.436 1.00 45.21 C ATOM 197 O PHE A 12 15.069 -0.780 1.322 1.00 24.04 O ATOM 198 CB PHE A 12 13.167 1.793 0.874 1.00 13.34 C ATOM 199 CG PHE A 12 12.425 0.763 1.677 1.00 4.12 C ATOM 200 CD1 PHE A 12 12.533 0.733 3.058 1.00 2.30 C ATOM 201 CD2 PHE A 12 11.619 -0.175 1.052 1.00 65.34 C ATOM 202 CE1 PHE A 12 11.852 -0.213 3.801 1.00 11.25 C ATOM 203 CE2 PHE A 12 10.935 -1.123 1.789 1.00 3.54 C ATOM 204 CZ PHE A 12 11.053 -1.143 3.165 1.00 51.12 C ATOM 0 H PHE A 12 14.655 3.124 -0.579 1.00 11.02 H new ATOM 0 HA PHE A 12 15.131 1.737 1.745 1.00 34.33 H new ATOM 0 HB2 PHE A 12 13.008 2.774 1.321 1.00 13.34 H new ATOM 0 HB3 PHE A 12 12.749 1.829 -0.132 1.00 13.34 H new ATOM 0 HD1 PHE A 12 13.157 1.458 3.560 1.00 2.30 H new ATOM 0 HD2 PHE A 12 11.524 -0.165 -0.024 1.00 65.34 H new ATOM 0 HE1 PHE A 12 11.945 -0.225 4.877 1.00 11.25 H new ATOM 0 HE2 PHE A 12 10.309 -1.847 1.290 1.00 3.54 H new ATOM 0 HZ PHE A 12 10.521 -1.885 3.743 1.00 51.12 H new ATOM 214 N GLY A 13 14.957 -0.239 -0.860 1.00 14.50 N ATOM 215 CA GLY A 13 15.186 -1.603 -1.298 1.00 33.21 C ATOM 216 C GLY A 13 16.625 -1.847 -1.711 1.00 74.54 C ATOM 217 O GLY A 13 17.440 -2.302 -0.909 1.00 14.33 O ATOM 0 H GLY A 13 14.835 0.439 -1.613 1.00 14.50 H new ATOM 0 HA2 GLY A 13 14.921 -2.289 -0.493 1.00 33.21 H new ATOM 0 HA3 GLY A 13 14.528 -1.827 -2.137 1.00 33.21 H new ATOM 221 N LYS A 14 16.937 -1.544 -2.967 1.00 41.12 N ATOM 222 CA LYS A 14 18.287 -1.733 -3.485 1.00 51.14 C ATOM 223 C LYS A 14 19.315 -1.053 -2.587 1.00 23.01 C ATOM 224 O LYS A 14 20.348 -1.634 -2.260 1.00 54.32 O ATOM 225 CB LYS A 14 18.390 -1.177 -4.908 1.00 62.33 C ATOM 226 CG LYS A 14 17.292 -1.671 -5.835 1.00 44.41 C ATOM 227 CD LYS A 14 17.228 -3.188 -5.863 1.00 60.34 C ATOM 228 CE LYS A 14 16.557 -3.694 -7.132 1.00 14.15 C ATOM 229 NZ LYS A 14 17.551 -4.010 -8.195 1.00 25.52 N ATOM 0 H LYS A 14 16.274 -1.167 -3.644 1.00 41.12 H new ATOM 0 HA LYS A 14 18.497 -2.802 -3.502 1.00 51.14 H new ATOM 0 HB2 LYS A 14 18.357 -0.088 -4.867 1.00 62.33 H new ATOM 0 HB3 LYS A 14 19.358 -1.451 -5.327 1.00 62.33 H new ATOM 0 HG2 LYS A 14 16.332 -1.271 -5.509 1.00 44.41 H new ATOM 0 HG3 LYS A 14 17.468 -1.295 -6.843 1.00 44.41 H new ATOM 0 HD2 LYS A 14 18.236 -3.597 -5.795 1.00 60.34 H new ATOM 0 HD3 LYS A 14 16.679 -3.546 -4.992 1.00 60.34 H new ATOM 0 HE2 LYS A 14 15.973 -4.586 -6.904 1.00 14.15 H new ATOM 0 HE3 LYS A 14 15.859 -2.941 -7.499 1.00 14.15 H new ATOM 0 HZ1 LYS A 14 17.055 -4.351 -9.043 1.00 25.52 H new ATOM 0 HZ2 LYS A 14 18.091 -3.153 -8.431 1.00 25.52 H new ATOM 0 HZ3 LYS A 14 18.202 -4.746 -7.854 1.00 25.52 H new ATOM 243 N GLY A 15 19.023 0.182 -2.191 1.00 20.24 N ATOM 244 CA GLY A 15 19.933 0.920 -1.332 1.00 62.31 C ATOM 245 C GLY A 15 20.337 0.133 -0.102 1.00 61.43 C ATOM 246 O GLY A 15 21.475 0.222 0.355 1.00 13.30 O ATOM 0 H GLY A 15 18.174 0.685 -2.449 1.00 20.24 H new ATOM 0 HA2 GLY A 15 20.826 1.187 -1.898 1.00 62.31 H new ATOM 0 HA3 GLY A 15 19.460 1.853 -1.024 1.00 62.31 H new ATOM 250 N GLY A 16 19.400 -0.642 0.436 1.00 32.43 N ATOM 251 CA GLY A 16 19.683 -1.437 1.618 1.00 50.35 C ATOM 252 C GLY A 16 20.004 -2.880 1.283 1.00 62.11 C ATOM 253 O GLY A 16 19.161 -3.605 0.755 1.00 73.03 O ATOM 0 H GLY A 16 18.450 -0.734 0.075 1.00 32.43 H new ATOM 0 HA2 GLY A 16 20.523 -0.997 2.156 1.00 50.35 H new ATOM 0 HA3 GLY A 16 18.824 -1.405 2.288 1.00 50.35 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 17.873 3.058 6.668 1.00 31.34 N ATOM 259 CA LYS B 1 17.644 4.345 6.021 1.00 44.14 C ATOM 260 C LYS B 1 16.283 4.375 5.334 1.00 65.23 C ATOM 261 O LYS B 1 16.140 3.919 4.199 1.00 5.03 O ATOM 262 CB LYS B 1 18.749 4.629 5.001 1.00 44.12 C ATOM 263 CG LYS B 1 19.881 5.480 5.551 1.00 74.30 C ATOM 264 CD LYS B 1 20.908 4.635 6.284 1.00 52.42 C ATOM 265 CE LYS B 1 22.274 5.304 6.296 1.00 64.04 C ATOM 266 NZ LYS B 1 22.959 5.146 7.609 1.00 31.23 N ATOM 0 H1 LYS B 1 18.805 3.062 7.129 1.00 31.34 H new ATOM 0 H2 LYS B 1 17.135 2.892 7.382 1.00 31.34 H new ATOM 0 H3 LYS B 1 17.842 2.301 5.956 1.00 31.34 H new ATOM 0 HA LYS B 1 17.659 5.118 6.790 1.00 44.14 H new ATOM 0 HB2 LYS B 1 19.157 3.682 4.647 1.00 44.12 H new ATOM 0 HB3 LYS B 1 18.314 5.132 4.137 1.00 44.12 H new ATOM 0 HG2 LYS B 1 20.365 6.015 4.734 1.00 74.30 H new ATOM 0 HG3 LYS B 1 19.476 6.232 6.229 1.00 74.30 H new ATOM 0 HD2 LYS B 1 20.576 4.464 7.308 1.00 52.42 H new ATOM 0 HD3 LYS B 1 20.984 3.658 5.807 1.00 52.42 H new ATOM 0 HE2 LYS B 1 22.895 4.876 5.509 1.00 64.04 H new ATOM 0 HE3 LYS B 1 22.161 6.365 6.071 1.00 64.04 H new ATOM 0 HZ1 LYS B 1 23.886 5.616 7.576 1.00 31.23 H new ATOM 0 HZ2 LYS B 1 22.379 5.577 8.357 1.00 31.23 H new ATOM 0 HZ3 LYS B 1 23.091 4.135 7.812 1.00 31.23 H new ATOM 280 N TYR B 2 15.287 4.914 6.028 1.00 75.14 N ATOM 281 CA TYR B 2 13.937 5.003 5.484 1.00 71.03 C ATOM 282 C TYR B 2 13.505 6.458 5.332 1.00 30.14 C ATOM 283 O TYR B 2 12.939 6.844 4.310 1.00 43.21 O ATOM 284 CB TYR B 2 12.952 4.258 6.387 1.00 75.24 C ATOM 285 CG TYR B 2 13.343 4.265 7.847 1.00 1.33 C ATOM 286 CD1 TYR B 2 12.872 5.249 8.708 1.00 52.52 C ATOM 287 CD2 TYR B 2 14.185 3.289 8.366 1.00 53.11 C ATOM 288 CE1 TYR B 2 13.228 5.260 10.043 1.00 52.33 C ATOM 289 CE2 TYR B 2 14.545 3.293 9.700 1.00 53.34 C ATOM 290 CZ TYR B 2 14.064 4.280 10.534 1.00 54.44 C ATOM 291 OH TYR B 2 14.421 4.287 11.863 1.00 12.44 O ATOM 0 H TYR B 2 15.389 5.296 6.968 1.00 75.14 H new ATOM 0 HA TYR B 2 13.938 4.539 4.498 1.00 71.03 H new ATOM 0 HB2 TYR B 2 11.965 4.708 6.282 1.00 75.24 H new ATOM 0 HB3 TYR B 2 12.870 3.226 6.047 1.00 75.24 H new ATOM 0 HD1 TYR B 2 12.217 6.018 8.327 1.00 52.52 H new ATOM 0 HD2 TYR B 2 14.564 2.514 7.716 1.00 53.11 H new ATOM 0 HE1 TYR B 2 12.853 6.032 10.698 1.00 52.33 H new ATOM 0 HE2 TYR B 2 15.200 2.527 10.088 1.00 53.34 H new ATOM 0 HH TYR B 2 15.013 3.528 12.047 1.00 12.44 H new ATOM 301 N GLU B 3 13.776 7.259 6.359 1.00 15.12 N ATOM 302 CA GLU B 3 13.415 8.671 6.340 1.00 51.41 C ATOM 303 C GLU B 3 13.901 9.340 5.056 1.00 1.44 C ATOM 304 O GLU B 3 13.355 10.358 4.630 1.00 53.22 O ATOM 305 CB GLU B 3 14.005 9.387 7.556 1.00 2.21 C ATOM 306 CG GLU B 3 15.440 8.990 7.859 1.00 13.10 C ATOM 307 CD GLU B 3 16.171 10.031 8.685 1.00 31.14 C ATOM 308 OE1 GLU B 3 16.305 11.178 8.209 1.00 20.33 O ATOM 309 OE2 GLU B 3 16.610 9.700 9.806 1.00 74.41 O ATOM 0 H GLU B 3 14.244 6.954 7.213 1.00 15.12 H new ATOM 0 HA GLU B 3 12.328 8.742 6.377 1.00 51.41 H new ATOM 0 HB2 GLU B 3 13.962 10.463 7.389 1.00 2.21 H new ATOM 0 HB3 GLU B 3 13.386 9.174 8.428 1.00 2.21 H new ATOM 0 HG2 GLU B 3 15.445 8.039 8.392 1.00 13.10 H new ATOM 0 HG3 GLU B 3 15.975 8.833 6.922 1.00 13.10 H new ATOM 316 N ILE B 4 14.930 8.760 4.448 1.00 62.15 N ATOM 317 CA ILE B 4 15.489 9.300 3.215 1.00 62.13 C ATOM 318 C ILE B 4 14.561 9.042 2.032 1.00 24.44 C ATOM 319 O ILE B 4 14.775 9.562 0.936 1.00 45.51 O ATOM 320 CB ILE B 4 16.871 8.691 2.910 1.00 62.42 C ATOM 321 CG1 ILE B 4 16.742 7.193 2.626 1.00 73.21 C ATOM 322 CG2 ILE B 4 17.825 8.935 4.071 1.00 5.44 C ATOM 323 CD1 ILE B 4 16.574 6.868 1.158 1.00 14.42 C ATOM 0 H ILE B 4 15.393 7.917 4.788 1.00 62.15 H new ATOM 0 HA ILE B 4 15.598 10.375 3.362 1.00 62.13 H new ATOM 0 HB ILE B 4 17.277 9.176 2.022 1.00 62.42 H new ATOM 0 HG12 ILE B 4 17.628 6.682 3.004 1.00 73.21 H new ATOM 0 HG13 ILE B 4 15.888 6.799 3.177 1.00 73.21 H new ATOM 0 HG21 ILE B 4 18.797 8.499 3.841 1.00 5.44 H new ATOM 0 HG22 ILE B 4 17.937 10.007 4.231 1.00 5.44 H new ATOM 0 HG23 ILE B 4 17.425 8.473 4.974 1.00 5.44 H new ATOM 0 HD11 ILE B 4 16.489 5.789 1.032 1.00 14.42 H new ATOM 0 HD12 ILE B 4 15.673 7.350 0.780 1.00 14.42 H new ATOM 0 HD13 ILE B 4 17.439 7.231 0.604 1.00 14.42 H new ATOM 335 N THR B 5 13.527 8.239 2.262 1.00 4.24 N ATOM 336 CA THR B 5 12.566 7.912 1.216 1.00 23.03 C ATOM 337 C THR B 5 11.152 8.305 1.629 1.00 44.35 C ATOM 338 O THR B 5 10.237 8.331 0.804 1.00 1.32 O ATOM 339 CB THR B 5 12.592 6.410 0.878 1.00 35.34 C ATOM 340 OG1 THR B 5 11.642 6.124 -0.155 1.00 65.03 O ATOM 341 CG2 THR B 5 12.279 5.572 2.107 1.00 21.53 C ATOM 0 H THR B 5 13.334 7.803 3.164 1.00 4.24 H new ATOM 0 HA THR B 5 12.855 8.480 0.331 1.00 23.03 H new ATOM 0 HB THR B 5 13.594 6.156 0.531 1.00 35.34 H new ATOM 0 HG1 THR B 5 10.750 6.028 0.239 1.00 65.03 H new ATOM 0 HG21 THR B 5 12.303 4.515 1.842 1.00 21.53 H new ATOM 0 HG22 THR B 5 13.021 5.770 2.881 1.00 21.53 H new ATOM 0 HG23 THR B 5 11.288 5.830 2.480 1.00 21.53 H new ATOM 349 N THR B 6 10.976 8.611 2.911 1.00 63.53 N ATOM 350 CA THR B 6 9.674 9.001 3.432 1.00 43.54 C ATOM 351 C THR B 6 9.676 10.457 3.883 1.00 22.11 C ATOM 352 O THR B 6 8.629 11.016 4.214 1.00 50.31 O ATOM 353 CB THR B 6 9.252 8.109 4.616 1.00 64.24 C ATOM 354 OG1 THR B 6 8.850 8.924 5.723 1.00 44.33 O ATOM 355 CG2 THR B 6 10.393 7.196 5.039 1.00 74.41 C ATOM 0 H THR B 6 11.721 8.596 3.607 1.00 63.53 H new ATOM 0 HA THR B 6 8.958 8.876 2.619 1.00 43.54 H new ATOM 0 HB THR B 6 8.413 7.491 4.297 1.00 64.24 H new ATOM 0 HG1 THR B 6 8.137 8.472 6.220 1.00 44.33 H new ATOM 0 HG21 THR B 6 10.072 6.576 5.876 1.00 74.41 H new ATOM 0 HG22 THR B 6 10.677 6.557 4.203 1.00 74.41 H new ATOM 0 HG23 THR B 6 11.249 7.799 5.342 1.00 74.41 H new ATOM 363 N ILE B 7 10.856 11.067 3.893 1.00 34.42 N ATOM 364 CA ILE B 7 10.993 12.459 4.301 1.00 4.31 C ATOM 365 C ILE B 7 11.496 13.323 3.151 1.00 21.24 C ATOM 366 O ILE B 7 11.200 14.517 3.079 1.00 21.14 O ATOM 367 CB ILE B 7 11.954 12.604 5.496 1.00 44.31 C ATOM 368 CG1 ILE B 7 11.624 11.569 6.574 1.00 24.42 C ATOM 369 CG2 ILE B 7 11.882 14.012 6.066 1.00 73.41 C ATOM 370 CD1 ILE B 7 10.259 11.762 7.197 1.00 40.12 C ATOM 0 H ILE B 7 11.731 10.619 3.623 1.00 34.42 H new ATOM 0 HA ILE B 7 10.001 12.798 4.600 1.00 4.31 H new ATOM 0 HB ILE B 7 12.971 12.426 5.148 1.00 44.31 H new ATOM 0 HG12 ILE B 7 11.678 10.572 6.138 1.00 24.42 H new ATOM 0 HG13 ILE B 7 12.382 11.616 7.356 1.00 24.42 H new ATOM 0 HG21 ILE B 7 12.567 14.098 6.910 1.00 73.41 H new ATOM 0 HG22 ILE B 7 12.162 14.731 5.296 1.00 73.41 H new ATOM 0 HG23 ILE B 7 10.865 14.217 6.401 1.00 73.41 H new ATOM 0 HD11 ILE B 7 10.092 10.994 7.952 1.00 40.12 H new ATOM 0 HD12 ILE B 7 10.208 12.746 7.663 1.00 40.12 H new ATOM 0 HD13 ILE B 7 9.493 11.685 6.426 1.00 40.12 H new ATOM 382 N HIS B 8 12.259 12.712 2.249 1.00 32.25 N ATOM 383 CA HIS B 8 12.803 13.425 1.098 1.00 74.41 C ATOM 384 C HIS B 8 12.135 12.961 -0.193 1.00 43.21 C ATOM 385 O HIS B 8 12.384 13.513 -1.264 1.00 13.54 O ATOM 386 CB HIS B 8 14.314 13.215 1.009 1.00 44.20 C ATOM 387 CG HIS B 8 15.102 14.484 1.108 1.00 64.53 C ATOM 388 ND1 HIS B 8 15.493 15.215 0.006 1.00 70.32 N ATOM 389 CD2 HIS B 8 15.572 15.152 2.187 1.00 63.12 C ATOM 390 CE1 HIS B 8 16.170 16.277 0.403 1.00 33.42 C ATOM 391 NE2 HIS B 8 16.232 16.264 1.722 1.00 62.24 N ATOM 0 H HIS B 8 12.514 11.725 2.293 1.00 32.25 H new ATOM 0 HA HIS B 8 12.599 14.488 1.230 1.00 74.41 H new ATOM 0 HB2 HIS B 8 14.626 12.540 1.806 1.00 44.20 H new ATOM 0 HB3 HIS B 8 14.549 12.724 0.065 1.00 44.20 H new ATOM 0 HD2 HIS B 8 15.451 14.865 3.221 1.00 63.12 H new ATOM 0 HE1 HIS B 8 16.600 17.029 -0.242 1.00 33.42 H new ATOM 0 HE2 HIS B 8 16.694 16.965 2.301 1.00 62.24 H new ATOM 399 N ASN B 9 11.287 11.944 -0.082 1.00 60.42 N ATOM 400 CA ASN B 9 10.585 11.405 -1.242 1.00 0.42 C ATOM 401 C ASN B 9 9.073 11.476 -1.043 1.00 22.32 C ATOM 402 O ASN B 9 8.316 10.761 -1.701 1.00 75.41 O ATOM 403 CB ASN B 9 11.009 9.957 -1.494 1.00 60.52 C ATOM 404 CG ASN B 9 11.938 9.826 -2.686 1.00 42.41 C ATOM 405 OD1 ASN B 9 11.361 9.644 -3.867 1.00 11.41 O flip ATOM 406 ND2 ASN B 9 13.159 9.888 -2.544 1.00 30.03 N flip ATOM 0 H ASN B 9 11.069 11.477 0.798 1.00 60.42 H new ATOM 0 HA ASN B 9 10.850 12.010 -2.109 1.00 0.42 H new ATOM 0 HB2 ASN B 9 11.505 9.567 -0.605 1.00 60.52 H new ATOM 0 HB3 ASN B 9 10.122 9.345 -1.659 1.00 60.52 H new ATOM 0 HD21 ASN B 9 13.558 10.029 -1.616 1.00 30.03 H new ATOM 0 HD22 ASN B 9 13.772 9.798 -3.354 1.00 30.03 H new ATOM 413 N LEU B 10 8.642 12.344 -0.135 1.00 12.12 N ATOM 414 CA LEU B 10 7.221 12.510 0.150 1.00 31.05 C ATOM 415 C LEU B 10 6.776 13.945 -0.116 1.00 32.23 C ATOM 416 O LEU B 10 5.593 14.210 -0.329 1.00 13.21 O ATOM 417 CB LEU B 10 6.924 12.134 1.603 1.00 41.42 C ATOM 418 CG LEU B 10 7.011 13.270 2.622 1.00 74.24 C ATOM 419 CD1 LEU B 10 6.424 12.837 3.956 1.00 22.24 C ATOM 420 CD2 LEU B 10 8.453 13.724 2.793 1.00 43.22 C ATOM 0 H LEU B 10 9.256 12.944 0.417 1.00 12.12 H new ATOM 0 HA LEU B 10 6.664 11.847 -0.512 1.00 31.05 H new ATOM 0 HB2 LEU B 10 5.922 11.707 1.649 1.00 41.42 H new ATOM 0 HB3 LEU B 10 7.619 11.349 1.903 1.00 41.42 H new ATOM 0 HG LEU B 10 6.428 14.112 2.249 1.00 74.24 H new ATOM 0 HD11 LEU B 10 6.495 13.659 4.669 1.00 22.24 H new ATOM 0 HD12 LEU B 10 5.378 12.563 3.821 1.00 22.24 H new ATOM 0 HD13 LEU B 10 6.978 11.979 4.336 1.00 22.24 H new ATOM 0 HD21 LEU B 10 8.496 14.533 3.522 1.00 43.22 H new ATOM 0 HD22 LEU B 10 9.059 12.888 3.143 1.00 43.22 H new ATOM 0 HD23 LEU B 10 8.839 14.077 1.837 1.00 43.22 H new ATOM 432 N PHE B 11 7.733 14.867 -0.105 1.00 40.31 N ATOM 433 CA PHE B 11 7.441 16.275 -0.347 1.00 11.11 C ATOM 434 C PHE B 11 6.536 16.441 -1.564 1.00 24.41 C ATOM 435 O PHE B 11 5.756 17.389 -1.647 1.00 61.42 O ATOM 436 CB PHE B 11 8.738 17.060 -0.549 1.00 34.23 C ATOM 437 CG PHE B 11 9.124 17.896 0.637 1.00 65.12 C ATOM 438 CD1 PHE B 11 9.752 19.119 0.465 1.00 12.41 C ATOM 439 CD2 PHE B 11 8.860 17.458 1.926 1.00 35.22 C ATOM 440 CE1 PHE B 11 10.108 19.891 1.554 1.00 72.21 C ATOM 441 CE2 PHE B 11 9.215 18.226 3.019 1.00 61.44 C ATOM 442 CZ PHE B 11 9.840 19.443 2.833 1.00 50.12 C ATOM 0 H PHE B 11 8.717 14.664 0.069 1.00 40.31 H new ATOM 0 HA PHE B 11 6.921 16.668 0.526 1.00 11.11 H new ATOM 0 HB2 PHE B 11 9.545 16.362 -0.769 1.00 34.23 H new ATOM 0 HB3 PHE B 11 8.630 17.707 -1.420 1.00 34.23 H new ATOM 0 HD1 PHE B 11 9.966 19.473 -0.533 1.00 12.41 H new ATOM 0 HD2 PHE B 11 8.372 16.507 2.077 1.00 35.22 H new ATOM 0 HE1 PHE B 11 10.595 20.843 1.406 1.00 72.21 H new ATOM 0 HE2 PHE B 11 9.004 17.874 4.018 1.00 61.44 H new ATOM 0 HZ PHE B 11 10.119 20.044 3.686 1.00 50.12 H new ATOM 452 N ARG B 12 6.649 15.513 -2.509 1.00 1.31 N ATOM 453 CA ARG B 12 5.845 15.557 -3.724 1.00 12.33 C ATOM 454 C ARG B 12 4.395 15.185 -3.429 1.00 13.44 C ATOM 455 O ARG B 12 3.467 15.877 -3.850 1.00 72.44 O ATOM 456 CB ARG B 12 6.421 14.608 -4.777 1.00 53.25 C ATOM 457 CG ARG B 12 7.862 14.915 -5.149 1.00 31.52 C ATOM 458 CD ARG B 12 7.947 16.027 -6.182 1.00 15.12 C ATOM 459 NE ARG B 12 9.053 15.826 -7.114 1.00 35.11 N ATOM 460 CZ ARG B 12 9.033 14.931 -8.096 1.00 0.10 C ATOM 461 NH1 ARG B 12 7.970 14.159 -8.272 1.00 63.31 N ATOM 462 NH2 ARG B 12 10.079 14.807 -8.903 1.00 51.11 N ATOM 0 H ARG B 12 7.290 14.721 -2.456 1.00 1.31 H new ATOM 0 HA ARG B 12 5.870 16.576 -4.110 1.00 12.33 H new ATOM 0 HB2 ARG B 12 6.361 13.585 -4.404 1.00 53.25 H new ATOM 0 HB3 ARG B 12 5.804 14.657 -5.674 1.00 53.25 H new ATOM 0 HG2 ARG B 12 8.416 15.204 -4.256 1.00 31.52 H new ATOM 0 HG3 ARG B 12 8.337 14.016 -5.541 1.00 31.52 H new ATOM 0 HD2 ARG B 12 7.010 16.078 -6.737 1.00 15.12 H new ATOM 0 HD3 ARG B 12 8.070 16.984 -5.675 1.00 15.12 H new ATOM 0 HE ARG B 12 9.886 16.404 -7.005 1.00 35.11 H new ATOM 0 HH11 ARG B 12 7.165 14.251 -7.653 1.00 63.31 H new ATOM 0 HH12 ARG B 12 7.957 13.473 -9.027 1.00 63.31 H new ATOM 0 HH21 ARG B 12 10.899 15.399 -8.770 1.00 51.11 H new ATOM 0 HH22 ARG B 12 10.063 14.120 -9.657 1.00 51.11 H new ATOM 476 N LYS B 13 4.205 14.088 -2.703 1.00 11.54 N ATOM 477 CA LYS B 13 2.869 13.625 -2.350 1.00 32.10 C ATOM 478 C LYS B 13 2.720 13.494 -0.838 1.00 13.04 C ATOM 479 O LYS B 13 2.398 12.420 -0.326 1.00 24.23 O ATOM 480 CB LYS B 13 2.580 12.279 -3.020 1.00 12.11 C ATOM 481 CG LYS B 13 1.099 11.982 -3.175 1.00 23.41 C ATOM 482 CD LYS B 13 0.850 10.504 -3.428 1.00 13.50 C ATOM 483 CE LYS B 13 1.396 10.069 -4.779 1.00 25.31 C ATOM 484 NZ LYS B 13 1.016 8.668 -5.105 1.00 72.55 N ATOM 0 H LYS B 13 4.961 13.503 -2.348 1.00 11.54 H new ATOM 0 HA LYS B 13 2.150 14.363 -2.705 1.00 32.10 H new ATOM 0 HB2 LYS B 13 3.050 12.264 -4.003 1.00 12.11 H new ATOM 0 HB3 LYS B 13 3.042 11.484 -2.434 1.00 12.11 H new ATOM 0 HG2 LYS B 13 0.569 12.292 -2.275 1.00 23.41 H new ATOM 0 HG3 LYS B 13 0.694 12.567 -4.001 1.00 23.41 H new ATOM 0 HD2 LYS B 13 1.318 9.915 -2.639 1.00 13.50 H new ATOM 0 HD3 LYS B 13 -0.220 10.302 -3.385 1.00 13.50 H new ATOM 0 HE2 LYS B 13 1.021 10.737 -5.554 1.00 25.31 H new ATOM 0 HE3 LYS B 13 2.482 10.160 -4.778 1.00 25.31 H new ATOM 0 HZ1 LYS B 13 1.407 8.409 -6.033 1.00 72.55 H new ATOM 0 HZ2 LYS B 13 1.395 8.027 -4.379 1.00 72.55 H new ATOM 0 HZ3 LYS B 13 -0.020 8.587 -5.131 1.00 72.55 H new ATOM 498 N LEU B 14 2.955 14.591 -0.128 1.00 52.22 N ATOM 499 CA LEU B 14 2.846 14.600 1.327 1.00 14.12 C ATOM 500 C LEU B 14 1.844 13.552 1.803 1.00 60.32 C ATOM 501 O LEU B 14 0.633 13.725 1.663 1.00 12.42 O ATOM 502 CB LEU B 14 2.424 15.986 1.819 1.00 51.34 C ATOM 503 CG LEU B 14 3.430 16.717 2.707 1.00 62.44 C ATOM 504 CD1 LEU B 14 4.537 17.332 1.865 1.00 62.31 C ATOM 505 CD2 LEU B 14 2.731 17.787 3.534 1.00 63.30 C ATOM 0 H LEU B 14 3.223 15.487 -0.536 1.00 52.22 H new ATOM 0 HA LEU B 14 3.824 14.357 1.742 1.00 14.12 H new ATOM 0 HB2 LEU B 14 2.216 16.610 0.950 1.00 51.34 H new ATOM 0 HB3 LEU B 14 1.489 15.885 2.370 1.00 51.34 H new ATOM 0 HG LEU B 14 3.878 15.993 3.388 1.00 62.44 H new ATOM 0 HD11 LEU B 14 5.244 17.848 2.514 1.00 62.31 H new ATOM 0 HD12 LEU B 14 5.056 16.546 1.316 1.00 62.31 H new ATOM 0 HD13 LEU B 14 4.106 18.043 1.160 1.00 62.31 H new ATOM 0 HD21 LEU B 14 3.462 18.298 4.161 1.00 63.30 H new ATOM 0 HD22 LEU B 14 2.256 18.508 2.869 1.00 63.30 H new ATOM 0 HD23 LEU B 14 1.974 17.322 4.165 1.00 63.30 H new ATOM 517 N THR B 15 2.358 12.465 2.371 1.00 35.20 N ATOM 518 CA THR B 15 1.510 11.390 2.869 1.00 71.31 C ATOM 519 C THR B 15 0.966 11.716 4.256 1.00 61.23 C ATOM 520 O THR B 15 1.729 11.939 5.196 1.00 50.15 O ATOM 521 CB THR B 15 2.275 10.054 2.932 1.00 0.12 C ATOM 522 OG1 THR B 15 3.651 10.292 3.250 1.00 43.52 O ATOM 523 CG2 THR B 15 2.176 9.311 1.608 1.00 64.34 C ATOM 0 H THR B 15 3.358 12.307 2.497 1.00 35.20 H new ATOM 0 HA THR B 15 0.680 11.293 2.169 1.00 71.31 H new ATOM 0 HB THR B 15 1.824 9.438 3.710 1.00 0.12 H new ATOM 0 HG1 THR B 15 4.130 9.438 3.290 1.00 43.52 H new ATOM 0 HG21 THR B 15 2.724 8.371 1.676 1.00 64.34 H new ATOM 0 HG22 THR B 15 1.129 9.106 1.383 1.00 64.34 H new ATOM 0 HG23 THR B 15 2.604 9.923 0.814 1.00 64.34 H new ATOM 531 N HIS B 16 -0.357 11.743 4.375 1.00 53.20 N ATOM 532 CA HIS B 16 -1.003 12.042 5.649 1.00 70.54 C ATOM 533 C HIS B 16 -0.522 11.089 6.739 1.00 64.30 C ATOM 534 O HIS B 16 0.284 11.461 7.592 1.00 55.32 O ATOM 535 CB HIS B 16 -2.523 11.949 5.509 1.00 12.51 C ATOM 536 CG HIS B 16 -3.180 13.265 5.225 1.00 41.10 C ATOM 537 ND1 HIS B 16 -3.691 14.079 6.214 1.00 2.14 N ATOM 538 CD2 HIS B 16 -3.406 13.908 4.056 1.00 23.11 C ATOM 539 CE1 HIS B 16 -4.205 15.165 5.664 1.00 64.34 C ATOM 540 NE2 HIS B 16 -4.045 15.086 4.356 1.00 54.30 N ATOM 0 H HIS B 16 -1.003 11.562 3.606 1.00 53.20 H new ATOM 0 HA HIS B 16 -0.733 13.059 5.935 1.00 70.54 H new ATOM 0 HB2 HIS B 16 -2.764 11.251 4.707 1.00 12.51 H new ATOM 0 HB3 HIS B 16 -2.940 11.535 6.427 1.00 12.51 H new ATOM 0 HD2 HIS B 16 -3.134 13.560 3.070 1.00 23.11 H new ATOM 0 HE1 HIS B 16 -4.676 15.979 6.195 1.00 64.34 H new ATOM 0 HE2 HIS B 16 -4.347 15.786 3.678 1.00 54.30 H new ATOM 548 N ARG B 17 -1.023 9.858 6.705 1.00 33.12 N ATOM 549 CA ARG B 17 -0.646 8.852 7.691 1.00 72.52 C ATOM 550 C ARG B 17 0.000 7.645 7.017 1.00 11.05 C ATOM 551 O ARG B 17 0.534 6.759 7.685 1.00 74.14 O ATOM 552 CB ARG B 17 -1.871 8.407 8.492 1.00 13.15 C ATOM 553 CG ARG B 17 -1.907 8.961 9.907 1.00 65.24 C ATOM 554 CD ARG B 17 -3.154 9.799 10.145 1.00 13.41 C ATOM 555 NE ARG B 17 -2.982 10.731 11.257 1.00 22.45 N ATOM 556 CZ ARG B 17 -3.828 11.720 11.523 1.00 70.41 C ATOM 557 NH1 ARG B 17 -4.900 11.904 10.764 1.00 51.12 N ATOM 558 NH2 ARG B 17 -3.604 12.527 12.553 1.00 73.41 N ATOM 0 H ARG B 17 -1.691 9.534 6.005 1.00 33.12 H new ATOM 0 HA ARG B 17 0.080 9.300 8.370 1.00 72.52 H new ATOM 0 HB2 ARG B 17 -2.772 8.720 7.965 1.00 13.15 H new ATOM 0 HB3 ARG B 17 -1.890 7.318 8.537 1.00 13.15 H new ATOM 0 HG2 ARG B 17 -1.878 8.139 10.622 1.00 65.24 H new ATOM 0 HG3 ARG B 17 -1.020 9.569 10.084 1.00 65.24 H new ATOM 0 HD2 ARG B 17 -3.395 10.355 9.239 1.00 13.41 H new ATOM 0 HD3 ARG B 17 -3.999 9.142 10.350 1.00 13.41 H new ATOM 0 HE ARG B 17 -2.169 10.616 11.862 1.00 22.45 H new ATOM 0 HH11 ARG B 17 -5.077 11.285 9.973 1.00 51.12 H new ATOM 0 HH12 ARG B 17 -5.547 12.664 10.971 1.00 51.12 H new ATOM 0 HH21 ARG B 17 -2.782 12.388 13.141 1.00 73.41 H new ATOM 0 HH22 ARG B 17 -4.254 13.286 12.757 1.00 73.41 H new ATOM 572 N LEU B 18 -0.053 7.617 5.690 1.00 24.12 N ATOM 573 CA LEU B 18 0.526 6.519 4.925 1.00 72.32 C ATOM 574 C LEU B 18 1.981 6.286 5.321 1.00 34.22 C ATOM 575 O LEU B 18 2.521 5.197 5.129 1.00 41.44 O ATOM 576 CB LEU B 18 0.435 6.812 3.425 1.00 60.54 C ATOM 577 CG LEU B 18 -0.977 6.939 2.851 1.00 31.05 C ATOM 578 CD1 LEU B 18 -0.929 7.497 1.438 1.00 23.11 C ATOM 579 CD2 LEU B 18 -1.683 5.590 2.871 1.00 3.40 C ATOM 0 H LEU B 18 -0.491 8.342 5.122 1.00 24.12 H new ATOM 0 HA LEU B 18 -0.041 5.615 5.148 1.00 72.32 H new ATOM 0 HB2 LEU B 18 0.973 7.738 3.223 1.00 60.54 H new ATOM 0 HB3 LEU B 18 0.954 6.018 2.888 1.00 60.54 H new ATOM 0 HG LEU B 18 -1.542 7.632 3.474 1.00 31.05 H new ATOM 0 HD11 LEU B 18 -1.942 7.581 1.045 1.00 23.11 H new ATOM 0 HD12 LEU B 18 -0.463 8.482 1.451 1.00 23.11 H new ATOM 0 HD13 LEU B 18 -0.348 6.829 0.803 1.00 23.11 H new ATOM 0 HD21 LEU B 18 -2.686 5.698 2.459 1.00 3.40 H new ATOM 0 HD22 LEU B 18 -1.120 4.876 2.271 1.00 3.40 H new ATOM 0 HD23 LEU B 18 -1.749 5.229 3.897 1.00 3.40 H new ATOM 591 N PHE B 19 2.609 7.318 5.876 1.00 11.44 N ATOM 592 CA PHE B 19 4.001 7.226 6.301 1.00 74.13 C ATOM 593 C PHE B 19 4.230 5.978 7.150 1.00 51.34 C ATOM 594 O PHE B 19 5.039 5.118 6.804 1.00 10.43 O ATOM 595 CB PHE B 19 4.399 8.474 7.090 1.00 65.41 C ATOM 596 CG PHE B 19 5.674 8.311 7.867 1.00 31.01 C ATOM 597 CD1 PHE B 19 5.787 8.815 9.153 1.00 15.02 C ATOM 598 CD2 PHE B 19 6.761 7.655 7.311 1.00 62.24 C ATOM 599 CE1 PHE B 19 6.960 8.666 9.871 1.00 51.10 C ATOM 600 CE2 PHE B 19 7.935 7.503 8.024 1.00 43.03 C ATOM 601 CZ PHE B 19 8.035 8.011 9.304 1.00 42.35 C ATOM 0 H PHE B 19 2.176 8.227 6.042 1.00 11.44 H new ATOM 0 HA PHE B 19 4.623 7.155 5.409 1.00 74.13 H new ATOM 0 HB2 PHE B 19 4.508 9.311 6.400 1.00 65.41 H new ATOM 0 HB3 PHE B 19 3.594 8.731 7.778 1.00 65.41 H new ATOM 0 HD1 PHE B 19 4.950 9.330 9.600 1.00 15.02 H new ATOM 0 HD2 PHE B 19 6.690 7.258 6.309 1.00 62.24 H new ATOM 0 HE1 PHE B 19 7.035 9.061 10.873 1.00 51.10 H new ATOM 0 HE2 PHE B 19 8.774 6.987 7.580 1.00 43.03 H new ATOM 0 HZ PHE B 19 8.953 7.896 9.861 1.00 42.35 H new ATOM 611 N ARG B 20 3.511 5.890 8.264 1.00 54.34 N ATOM 612 CA ARG B 20 3.636 4.750 9.166 1.00 72.41 C ATOM 613 C ARG B 20 2.425 3.828 9.047 1.00 44.41 C ATOM 614 O ARG B 20 2.524 2.624 9.282 1.00 12.14 O ATOM 615 CB ARG B 20 3.785 5.228 10.610 1.00 55.44 C ATOM 616 CG ARG B 20 2.579 5.997 11.126 1.00 51.22 C ATOM 617 CD ARG B 20 1.763 5.164 12.100 1.00 41.24 C ATOM 618 NE ARG B 20 2.494 4.894 13.336 1.00 63.53 N ATOM 619 CZ ARG B 20 1.960 4.282 14.387 1.00 71.21 C ATOM 620 NH1 ARG B 20 0.698 3.879 14.352 1.00 73.22 N ATOM 621 NH2 ARG B 20 2.690 4.073 15.475 1.00 23.14 N ATOM 0 H ARG B 20 2.836 6.594 8.564 1.00 54.34 H new ATOM 0 HA ARG B 20 4.528 4.191 8.882 1.00 72.41 H new ATOM 0 HB2 ARG B 20 3.957 4.365 11.253 1.00 55.44 H new ATOM 0 HB3 ARG B 20 4.668 5.862 10.684 1.00 55.44 H new ATOM 0 HG2 ARG B 20 2.912 6.911 11.618 1.00 51.22 H new ATOM 0 HG3 ARG B 20 1.951 6.297 10.287 1.00 51.22 H new ATOM 0 HD2 ARG B 20 0.835 5.686 12.334 1.00 41.24 H new ATOM 0 HD3 ARG B 20 1.488 4.221 11.628 1.00 41.24 H new ATOM 0 HE ARG B 20 3.468 5.192 13.395 1.00 63.53 H new ATOM 0 HH11 ARG B 20 0.135 4.039 13.517 1.00 73.22 H new ATOM 0 HH12 ARG B 20 0.290 3.409 15.160 1.00 73.22 H new ATOM 0 HH21 ARG B 20 3.662 4.382 15.504 1.00 23.14 H new ATOM 0 HH22 ARG B 20 2.280 3.603 16.282 1.00 23.14 H new ATOM 635 N ARG B 21 1.284 4.403 8.680 1.00 12.23 N ATOM 636 CA ARG B 21 0.054 3.633 8.530 1.00 40.31 C ATOM 637 C ARG B 21 0.119 2.739 7.296 1.00 42.14 C ATOM 638 O ARG B 21 -0.658 1.795 7.160 1.00 3.44 O ATOM 639 CB ARG B 21 -1.150 4.571 8.433 1.00 74.10 C ATOM 640 CG ARG B 21 -2.436 3.968 8.974 1.00 23.32 C ATOM 641 CD ARG B 21 -2.994 4.787 10.127 1.00 63.22 C ATOM 642 NE ARG B 21 -4.454 4.765 10.159 1.00 41.25 N ATOM 643 CZ ARG B 21 -5.164 3.716 10.555 1.00 73.42 C ATOM 644 NH1 ARG B 21 -4.552 2.609 10.952 1.00 54.24 N ATOM 645 NH2 ARG B 21 -6.490 3.773 10.556 1.00 0.24 N ATOM 0 H ARG B 21 1.186 5.399 8.481 1.00 12.23 H new ATOM 0 HA ARG B 21 -0.059 2.999 9.409 1.00 40.31 H new ATOM 0 HB2 ARG B 21 -0.930 5.488 8.980 1.00 74.10 H new ATOM 0 HB3 ARG B 21 -1.300 4.850 7.390 1.00 74.10 H new ATOM 0 HG2 ARG B 21 -3.176 3.910 8.176 1.00 23.32 H new ATOM 0 HG3 ARG B 21 -2.248 2.948 9.309 1.00 23.32 H new ATOM 0 HD2 ARG B 21 -2.605 4.399 11.068 1.00 63.22 H new ATOM 0 HD3 ARG B 21 -2.649 5.817 10.040 1.00 63.22 H new ATOM 0 HE ARG B 21 -4.955 5.602 9.861 1.00 41.25 H new ATOM 0 HH11 ARG B 21 -3.533 2.562 10.954 1.00 54.24 H new ATOM 0 HH12 ARG B 21 -5.100 1.804 11.256 1.00 54.24 H new ATOM 0 HH21 ARG B 21 -6.964 4.623 10.252 1.00 0.24 H new ATOM 0 HH22 ARG B 21 -7.035 2.966 10.860 1.00 0.24 H new ATOM 659 N ASN B 22 1.050 3.045 6.398 1.00 22.41 N ATOM 660 CA ASN B 22 1.214 2.270 5.173 1.00 23.41 C ATOM 661 C ASN B 22 2.633 1.719 5.065 1.00 13.42 C ATOM 662 O ASN B 22 2.833 0.514 4.911 1.00 71.43 O ATOM 663 CB ASN B 22 0.896 3.133 3.952 1.00 22.13 C ATOM 664 CG ASN B 22 0.344 2.320 2.797 1.00 1.03 C ATOM 665 OD1 ASN B 22 -0.827 2.447 2.437 1.00 44.21 O ATOM 666 ND2 ASN B 22 1.187 1.480 2.209 1.00 72.24 N ATOM 0 H ASN B 22 1.702 3.823 6.495 1.00 22.41 H new ATOM 0 HA ASN B 22 0.518 1.431 5.207 1.00 23.41 H new ATOM 0 HB2 ASN B 22 0.173 3.900 4.231 1.00 22.13 H new ATOM 0 HB3 ASN B 22 1.800 3.649 3.630 1.00 22.13 H new ATOM 0 HD21 ASN B 22 0.873 0.907 1.426 1.00 72.24 H new ATOM 0 HD22 ASN B 22 2.149 1.407 2.541 1.00 72.24 H new ATOM 673 N PHE B 23 3.615 2.610 5.148 1.00 73.12 N ATOM 674 CA PHE B 23 5.016 2.214 5.058 1.00 73.21 C ATOM 675 C PHE B 23 5.599 1.957 6.445 1.00 1.43 C ATOM 676 O PHE B 23 6.813 1.864 6.612 1.00 25.35 O ATOM 677 CB PHE B 23 5.830 3.295 4.343 1.00 71.53 C ATOM 678 CG PHE B 23 5.485 3.439 2.888 1.00 4.15 C ATOM 679 CD1 PHE B 23 6.065 2.612 1.940 1.00 32.42 C ATOM 680 CD2 PHE B 23 4.582 4.403 2.468 1.00 11.01 C ATOM 681 CE1 PHE B 23 5.751 2.742 0.599 1.00 45.14 C ATOM 682 CE2 PHE B 23 4.263 4.537 1.131 1.00 72.35 C ATOM 683 CZ PHE B 23 4.850 3.707 0.195 1.00 14.53 C ATOM 0 H PHE B 23 3.467 3.611 5.277 1.00 73.12 H new ATOM 0 HA PHE B 23 5.069 1.289 4.483 1.00 73.21 H new ATOM 0 HB2 PHE B 23 5.669 4.250 4.843 1.00 71.53 H new ATOM 0 HB3 PHE B 23 6.891 3.061 4.436 1.00 71.53 H new ATOM 0 HD1 PHE B 23 6.771 1.856 2.252 1.00 32.42 H new ATOM 0 HD2 PHE B 23 4.123 5.057 3.195 1.00 11.01 H new ATOM 0 HE1 PHE B 23 6.209 2.090 -0.130 1.00 45.14 H new ATOM 0 HE2 PHE B 23 3.555 5.290 0.817 1.00 72.35 H new ATOM 0 HZ PHE B 23 4.604 3.813 -0.851 1.00 14.53 H new ATOM 693 N GLY B 24 4.721 1.846 7.437 1.00 71.12 N ATOM 694 CA GLY B 24 5.165 1.602 8.797 1.00 2.42 C ATOM 695 C GLY B 24 4.775 0.226 9.297 1.00 0.52 C ATOM 696 O GLY B 24 5.394 -0.307 10.219 1.00 62.30 O ATOM 0 H GLY B 24 3.710 1.921 7.323 1.00 71.12 H new ATOM 0 HA2 GLY B 24 6.249 1.709 8.847 1.00 2.42 H new ATOM 0 HA3 GLY B 24 4.739 2.359 9.456 1.00 2.42 H new ATOM 700 N TYR B 25 3.745 -0.352 8.691 1.00 62.22 N ATOM 701 CA TYR B 25 3.270 -1.674 9.082 1.00 34.34 C ATOM 702 C TYR B 25 4.168 -2.767 8.511 1.00 53.13 C ATOM 703 O TYR B 25 4.084 -3.929 8.912 1.00 62.24 O ATOM 704 CB TYR B 25 1.830 -1.882 8.610 1.00 4.13 C ATOM 705 CG TYR B 25 0.797 -1.635 9.686 1.00 41.54 C ATOM 706 CD1 TYR B 25 0.817 -0.468 10.440 1.00 52.05 C ATOM 707 CD2 TYR B 25 -0.198 -2.567 9.949 1.00 33.10 C ATOM 708 CE1 TYR B 25 -0.123 -0.237 11.425 1.00 64.11 C ATOM 709 CE2 TYR B 25 -1.143 -2.345 10.931 1.00 51.24 C ATOM 710 CZ TYR B 25 -1.102 -1.178 11.666 1.00 50.13 C ATOM 711 OH TYR B 25 -2.042 -0.953 12.646 1.00 10.30 O ATOM 0 H TYR B 25 3.222 0.074 7.926 1.00 62.22 H new ATOM 0 HA TYR B 25 3.301 -1.736 10.170 1.00 34.34 H new ATOM 0 HB2 TYR B 25 1.633 -1.217 7.769 1.00 4.13 H new ATOM 0 HB3 TYR B 25 1.721 -2.902 8.241 1.00 4.13 H new ATOM 0 HD1 TYR B 25 1.581 0.272 10.252 1.00 52.05 H new ATOM 0 HD2 TYR B 25 -0.233 -3.481 9.376 1.00 33.10 H new ATOM 0 HE1 TYR B 25 -0.092 0.675 12.003 1.00 64.11 H new ATOM 0 HE2 TYR B 25 -1.910 -3.081 11.123 1.00 51.24 H new ATOM 0 HH TYR B 25 -2.660 -1.712 12.687 1.00 10.30 H new ATOM 721 N THR B 26 5.029 -2.385 7.573 1.00 75.22 N ATOM 722 CA THR B 26 5.943 -3.331 6.945 1.00 54.11 C ATOM 723 C THR B 26 7.313 -3.297 7.613 1.00 53.22 C ATOM 724 O THR B 26 7.828 -4.326 8.051 1.00 2.30 O ATOM 725 CB THR B 26 6.110 -3.039 5.442 1.00 53.50 C ATOM 726 OG1 THR B 26 5.137 -3.773 4.689 1.00 21.50 O ATOM 727 CG2 THR B 26 7.507 -3.409 4.970 1.00 12.53 C ATOM 0 H THR B 26 5.112 -1.427 7.232 1.00 75.22 H new ATOM 0 HA THR B 26 5.506 -4.322 7.068 1.00 54.11 H new ATOM 0 HB THR B 26 5.962 -1.971 5.284 1.00 53.50 H new ATOM 0 HG1 THR B 26 5.249 -3.581 3.735 1.00 21.50 H new ATOM 0 HG21 THR B 26 7.600 -3.194 3.906 1.00 12.53 H new ATOM 0 HG22 THR B 26 8.244 -2.828 5.524 1.00 12.53 H new ATOM 0 HG23 THR B 26 7.680 -4.471 5.142 1.00 12.53 H new ATOM 735 N LEU B 27 7.900 -2.108 7.687 1.00 40.11 N ATOM 736 CA LEU B 27 9.212 -1.939 8.302 1.00 31.24 C ATOM 737 C LEU B 27 9.125 -2.083 9.818 1.00 71.11 C ATOM 738 O LEU B 27 10.126 -1.950 10.523 1.00 12.34 O ATOM 739 CB LEU B 27 9.794 -0.572 7.941 1.00 53.42 C ATOM 740 CG LEU B 27 11.261 -0.559 7.508 1.00 71.11 C ATOM 741 CD1 LEU B 27 11.738 0.866 7.277 1.00 23.20 C ATOM 742 CD2 LEU B 27 12.129 -1.253 8.549 1.00 15.32 C ATOM 0 H LEU B 27 7.488 -1.246 7.329 1.00 40.11 H new ATOM 0 HA LEU B 27 9.869 -2.719 7.918 1.00 31.24 H new ATOM 0 HB2 LEU B 27 9.195 -0.146 7.136 1.00 53.42 H new ATOM 0 HB3 LEU B 27 9.685 0.086 8.803 1.00 53.42 H new ATOM 0 HG LEU B 27 11.348 -1.105 6.568 1.00 71.11 H new ATOM 0 HD11 LEU B 27 12.784 0.854 6.970 1.00 23.20 H new ATOM 0 HD12 LEU B 27 11.135 1.329 6.496 1.00 23.20 H new ATOM 0 HD13 LEU B 27 11.637 1.437 8.200 1.00 23.20 H new ATOM 0 HD21 LEU B 27 13.170 -1.235 8.225 1.00 15.32 H new ATOM 0 HD22 LEU B 27 12.037 -0.735 9.504 1.00 15.32 H new ATOM 0 HD23 LEU B 27 11.803 -2.287 8.664 1.00 15.32 H new ATOM 754 N ARG B 28 7.923 -2.358 10.314 1.00 42.12 N ATOM 755 CA ARG B 28 7.705 -2.520 11.746 1.00 5.14 C ATOM 756 C ARG B 28 8.648 -3.572 12.322 1.00 54.30 C ATOM 757 O ARG B 28 9.580 -3.248 13.059 1.00 33.45 O ATOM 758 CB ARG B 28 6.253 -2.917 12.021 1.00 53.45 C ATOM 759 CG ARG B 28 5.849 -2.776 13.479 1.00 15.04 C ATOM 760 CD ARG B 28 5.521 -4.124 14.100 1.00 65.53 C ATOM 761 NE ARG B 28 4.148 -4.536 13.821 1.00 32.02 N ATOM 762 CZ ARG B 28 3.729 -5.794 13.895 1.00 33.20 C ATOM 763 NH1 ARG B 28 4.571 -6.759 14.239 1.00 23.43 N ATOM 764 NH2 ARG B 28 2.464 -6.090 13.626 1.00 12.44 N ATOM 0 H ARG B 28 7.085 -2.473 9.744 1.00 42.12 H new ATOM 0 HA ARG B 28 7.911 -1.566 12.230 1.00 5.14 H new ATOM 0 HB2 ARG B 28 5.595 -2.301 11.409 1.00 53.45 H new ATOM 0 HB3 ARG B 28 6.103 -3.951 11.709 1.00 53.45 H new ATOM 0 HG2 ARG B 28 6.657 -2.304 14.037 1.00 15.04 H new ATOM 0 HG3 ARG B 28 4.983 -2.119 13.556 1.00 15.04 H new ATOM 0 HD2 ARG B 28 6.210 -4.877 13.717 1.00 65.53 H new ATOM 0 HD3 ARG B 28 5.672 -4.073 15.178 1.00 65.53 H new ATOM 0 HE ARG B 28 3.474 -3.818 13.555 1.00 32.02 H new ATOM 0 HH11 ARG B 28 5.544 -6.536 14.448 1.00 23.43 H new ATOM 0 HH12 ARG B 28 4.245 -7.724 14.295 1.00 23.43 H new ATOM 0 HH21 ARG B 28 1.812 -5.351 13.362 1.00 12.44 H new ATOM 0 HH22 ARG B 28 2.143 -7.057 13.683 1.00 12.44 H new TER 778 ARG B 28