USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 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 LYS N :NH3+ -170:sc= -0.0699 (180deg=-0.179) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 165:sc= -4.2! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 9 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.2!) USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.313) USER MOD Single : A 15 THR OG1 : rot -16:sc= 1.51 USER MOD Single : A 16 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-5.2!) USER MOD Single : A 22 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.585 -0.688 1.713 1.00 61.20 N ATOM 2 CA LYS A 1 1.002 -1.309 0.529 1.00 2.23 C ATOM 3 C LYS A 1 2.020 -2.202 -0.174 1.00 13.42 C ATOM 4 O LYS A 1 2.219 -2.098 -1.384 1.00 41.14 O ATOM 5 CB LYS A 1 0.495 -0.236 -0.437 1.00 44.11 C ATOM 6 CG LYS A 1 -0.442 0.770 0.208 1.00 33.20 C ATOM 7 CD LYS A 1 -1.142 1.627 -0.833 1.00 53.20 C ATOM 8 CE LYS A 1 -0.391 2.926 -1.083 1.00 24.34 C ATOM 9 NZ LYS A 1 0.338 2.904 -2.381 1.00 40.02 N ATOM 0 H1 LYS A 1 0.836 -0.225 2.266 1.00 61.20 H new ATOM 0 H2 LYS A 1 2.046 -1.416 2.296 1.00 61.20 H new ATOM 0 H3 LYS A 1 2.289 0.020 1.423 1.00 61.20 H new ATOM 0 HA LYS A 1 0.163 -1.927 0.849 1.00 2.23 H new ATOM 0 HB2 LYS A 1 1.349 0.294 -0.859 1.00 44.11 H new ATOM 0 HB3 LYS A 1 -0.021 -0.720 -1.266 1.00 44.11 H new ATOM 0 HG2 LYS A 1 -1.185 0.244 0.807 1.00 33.20 H new ATOM 0 HG3 LYS A 1 0.121 1.409 0.888 1.00 33.20 H new ATOM 0 HD2 LYS A 1 -1.228 1.070 -1.766 1.00 53.20 H new ATOM 0 HD3 LYS A 1 -2.156 1.850 -0.500 1.00 53.20 H new ATOM 0 HE2 LYS A 1 -1.094 3.759 -1.075 1.00 24.34 H new ATOM 0 HE3 LYS A 1 0.317 3.098 -0.272 1.00 24.34 H new ATOM 0 HZ1 LYS A 1 0.837 3.807 -2.514 1.00 40.02 H new ATOM 0 HZ2 LYS A 1 1.027 2.125 -2.379 1.00 40.02 H new ATOM 0 HZ3 LYS A 1 -0.340 2.765 -3.157 1.00 40.02 H new ATOM 23 N TYR A 2 2.659 -3.079 0.592 1.00 43.51 N ATOM 24 CA TYR A 2 3.657 -3.989 0.042 1.00 12.21 C ATOM 25 C TYR A 2 2.991 -5.132 -0.718 1.00 30.13 C ATOM 26 O TYR A 2 3.037 -6.285 -0.290 1.00 63.14 O ATOM 27 CB TYR A 2 4.537 -4.549 1.160 1.00 25.41 C ATOM 28 CG TYR A 2 5.712 -5.358 0.658 1.00 62.03 C ATOM 29 CD1 TYR A 2 6.787 -4.741 0.028 1.00 35.41 C ATOM 30 CD2 TYR A 2 5.747 -6.738 0.812 1.00 64.34 C ATOM 31 CE1 TYR A 2 7.862 -5.476 -0.433 1.00 73.12 C ATOM 32 CE2 TYR A 2 6.819 -7.481 0.355 1.00 40.22 C ATOM 33 CZ TYR A 2 7.874 -6.845 -0.267 1.00 75.31 C ATOM 34 OH TYR A 2 8.942 -7.582 -0.725 1.00 2.42 O ATOM 0 H TYR A 2 2.504 -3.179 1.595 1.00 43.51 H new ATOM 0 HA TYR A 2 4.280 -3.428 -0.655 1.00 12.21 H new ATOM 0 HB2 TYR A 2 4.908 -3.723 1.767 1.00 25.41 H new ATOM 0 HB3 TYR A 2 3.927 -5.175 1.812 1.00 25.41 H new ATOM 0 HD1 TYR A 2 6.781 -3.669 -0.103 1.00 35.41 H new ATOM 0 HD2 TYR A 2 4.922 -7.239 1.297 1.00 64.34 H new ATOM 0 HE1 TYR A 2 8.689 -4.981 -0.921 1.00 73.12 H new ATOM 0 HE2 TYR A 2 6.831 -8.553 0.484 1.00 40.22 H new ATOM 0 HH TYR A 2 8.915 -8.478 -0.328 1.00 2.42 H new ATOM 44 N GLU A 3 2.373 -4.802 -1.847 1.00 74.33 N ATOM 45 CA GLU A 3 1.697 -5.801 -2.667 1.00 71.02 C ATOM 46 C GLU A 3 2.379 -5.942 -4.025 1.00 72.01 C ATOM 47 O GLU A 3 2.968 -6.979 -4.331 1.00 35.42 O ATOM 48 CB GLU A 3 0.226 -5.425 -2.859 1.00 62.25 C ATOM 49 CG GLU A 3 -0.538 -5.270 -1.555 1.00 60.43 C ATOM 50 CD GLU A 3 -2.010 -4.980 -1.773 1.00 13.12 C ATOM 51 OE1 GLU A 3 -2.829 -5.409 -0.933 1.00 73.11 O ATOM 52 OE2 GLU A 3 -2.344 -4.324 -2.782 1.00 24.32 O ATOM 0 H GLU A 3 2.326 -3.852 -2.215 1.00 74.33 H new ATOM 0 HA GLU A 3 1.755 -6.759 -2.149 1.00 71.02 H new ATOM 0 HB2 GLU A 3 0.169 -4.491 -3.417 1.00 62.25 H new ATOM 0 HB3 GLU A 3 -0.259 -6.189 -3.466 1.00 62.25 H new ATOM 0 HG2 GLU A 3 -0.434 -6.182 -0.967 1.00 60.43 H new ATOM 0 HG3 GLU A 3 -0.095 -4.463 -0.972 1.00 60.43 H new ATOM 59 N ILE A 4 2.294 -4.892 -4.835 1.00 21.01 N ATOM 60 CA ILE A 4 2.903 -4.898 -6.159 1.00 71.22 C ATOM 61 C ILE A 4 3.583 -3.566 -6.458 1.00 31.41 C ATOM 62 O ILE A 4 4.646 -3.524 -7.079 1.00 34.02 O ATOM 63 CB ILE A 4 1.861 -5.187 -7.256 1.00 64.53 C ATOM 64 CG1 ILE A 4 2.538 -5.254 -8.627 1.00 73.31 C ATOM 65 CG2 ILE A 4 0.774 -4.124 -7.247 1.00 54.05 C ATOM 66 CD1 ILE A 4 1.572 -5.128 -9.784 1.00 74.53 C ATOM 0 H ILE A 4 1.809 -4.027 -4.597 1.00 21.01 H new ATOM 0 HA ILE A 4 3.650 -5.692 -6.159 1.00 71.22 H new ATOM 0 HB ILE A 4 1.398 -6.153 -7.052 1.00 64.53 H new ATOM 0 HG12 ILE A 4 3.281 -4.459 -8.696 1.00 73.31 H new ATOM 0 HG13 ILE A 4 3.074 -6.199 -8.713 1.00 73.31 H new ATOM 0 HG21 ILE A 4 0.045 -4.342 -8.028 1.00 54.05 H new ATOM 0 HG22 ILE A 4 0.277 -4.120 -6.277 1.00 54.05 H new ATOM 0 HG23 ILE A 4 1.220 -3.146 -7.430 1.00 54.05 H new ATOM 0 HD11 ILE A 4 2.121 -5.184 -10.724 1.00 74.53 H new ATOM 0 HD12 ILE A 4 0.844 -5.938 -9.740 1.00 74.53 H new ATOM 0 HD13 ILE A 4 1.054 -4.171 -9.723 1.00 74.53 H new ATOM 78 N THR A 5 2.964 -2.478 -6.010 1.00 72.41 N ATOM 79 CA THR A 5 3.509 -1.145 -6.228 1.00 51.53 C ATOM 80 C THR A 5 5.031 -1.179 -6.307 1.00 52.44 C ATOM 81 O THR A 5 5.628 -0.630 -7.234 1.00 53.33 O ATOM 82 CB THR A 5 3.086 -0.175 -5.109 1.00 11.22 C ATOM 83 OG1 THR A 5 3.835 1.042 -5.205 1.00 64.42 O ATOM 84 CG2 THR A 5 3.301 -0.802 -3.740 1.00 3.14 C ATOM 0 H THR A 5 2.084 -2.495 -5.494 1.00 72.41 H new ATOM 0 HA THR A 5 3.107 -0.791 -7.177 1.00 51.53 H new ATOM 0 HB THR A 5 2.025 0.042 -5.229 1.00 11.22 H new ATOM 0 HG1 THR A 5 3.559 1.653 -4.491 1.00 64.42 H new ATOM 0 HG21 THR A 5 2.995 -0.099 -2.966 1.00 3.14 H new ATOM 0 HG22 THR A 5 2.706 -1.712 -3.659 1.00 3.14 H new ATOM 0 HG23 THR A 5 4.356 -1.046 -3.613 1.00 3.14 H new ATOM 92 N THR A 6 5.655 -1.828 -5.330 1.00 4.45 N ATOM 93 CA THR A 6 7.108 -1.933 -5.288 1.00 44.13 C ATOM 94 C THR A 6 7.553 -3.390 -5.250 1.00 21.51 C ATOM 95 O THR A 6 8.731 -3.695 -5.440 1.00 51.15 O ATOM 96 CB THR A 6 7.690 -1.198 -4.066 1.00 65.11 C ATOM 97 OG1 THR A 6 9.037 -0.793 -4.334 1.00 45.30 O ATOM 98 CG2 THR A 6 7.659 -2.089 -2.834 1.00 23.15 C ATOM 0 H THR A 6 5.177 -2.289 -4.556 1.00 4.45 H new ATOM 0 HA THR A 6 7.485 -1.464 -6.197 1.00 44.13 H new ATOM 0 HB THR A 6 7.078 -0.317 -3.874 1.00 65.11 H new ATOM 0 HG1 THR A 6 9.399 -0.325 -3.553 1.00 45.30 H new ATOM 0 HG21 THR A 6 8.075 -1.549 -1.984 1.00 23.15 H new ATOM 0 HG22 THR A 6 6.629 -2.372 -2.616 1.00 23.15 H new ATOM 0 HG23 THR A 6 8.250 -2.986 -3.019 1.00 23.15 H new ATOM 106 N ILE A 7 6.604 -4.287 -5.003 1.00 62.43 N ATOM 107 CA ILE A 7 6.899 -5.713 -4.942 1.00 61.50 C ATOM 108 C ILE A 7 7.600 -6.185 -6.212 1.00 2.15 C ATOM 109 O ILE A 7 8.513 -7.010 -6.160 1.00 35.41 O ATOM 110 CB ILE A 7 5.619 -6.545 -4.737 1.00 50.21 C ATOM 111 CG1 ILE A 7 5.753 -7.430 -3.497 1.00 32.35 C ATOM 112 CG2 ILE A 7 5.333 -7.390 -5.969 1.00 64.05 C ATOM 113 CD1 ILE A 7 5.154 -6.818 -2.250 1.00 33.12 C ATOM 0 H ILE A 7 5.625 -4.051 -4.842 1.00 62.43 H new ATOM 0 HA ILE A 7 7.560 -5.861 -4.088 1.00 61.50 H new ATOM 0 HB ILE A 7 4.782 -5.864 -4.585 1.00 50.21 H new ATOM 0 HG12 ILE A 7 5.270 -8.388 -3.690 1.00 32.35 H new ATOM 0 HG13 ILE A 7 6.809 -7.636 -3.320 1.00 32.35 H new ATOM 0 HG21 ILE A 7 4.426 -7.972 -5.808 1.00 64.05 H new ATOM 0 HG22 ILE A 7 5.199 -6.739 -6.833 1.00 64.05 H new ATOM 0 HG23 ILE A 7 6.170 -8.065 -6.150 1.00 64.05 H new ATOM 0 HD11 ILE A 7 5.285 -7.501 -1.410 1.00 33.12 H new ATOM 0 HD12 ILE A 7 5.654 -5.874 -2.032 1.00 33.12 H new ATOM 0 HD13 ILE A 7 4.091 -6.638 -2.408 1.00 33.12 H new ATOM 125 N HIS A 8 7.169 -5.654 -7.351 1.00 42.42 N ATOM 126 CA HIS A 8 7.757 -6.018 -8.635 1.00 63.03 C ATOM 127 C HIS A 8 9.264 -5.779 -8.630 1.00 41.21 C ATOM 128 O HIS A 8 10.009 -6.435 -9.357 1.00 32.23 O ATOM 129 CB HIS A 8 7.106 -5.218 -9.764 1.00 20.12 C ATOM 130 CG HIS A 8 7.427 -3.756 -9.724 1.00 42.31 C ATOM 131 ND1 HIS A 8 7.675 -3.071 -8.553 1.00 62.21 N ATOM 132 CD2 HIS A 8 7.542 -2.847 -10.721 1.00 20.22 C ATOM 133 CE1 HIS A 8 7.927 -1.804 -8.831 1.00 71.51 C ATOM 134 NE2 HIS A 8 7.853 -1.642 -10.140 1.00 31.42 N ATOM 0 H HIS A 8 6.415 -4.970 -7.411 1.00 42.42 H new ATOM 0 HA HIS A 8 7.576 -7.080 -8.801 1.00 63.03 H new ATOM 0 HB2 HIS A 8 7.430 -5.627 -10.721 1.00 20.12 H new ATOM 0 HB3 HIS A 8 6.025 -5.346 -9.712 1.00 20.12 H new ATOM 0 HD2 HIS A 8 7.413 -3.035 -11.777 1.00 20.22 H new ATOM 0 HE1 HIS A 8 8.155 -1.032 -8.111 1.00 71.51 H new ATOM 0 HE2 HIS A 8 8.003 -0.765 -10.638 1.00 31.42 H new ATOM 142 N ASN A 9 9.706 -4.834 -7.806 1.00 54.13 N ATOM 143 CA ASN A 9 11.124 -4.507 -7.708 1.00 34.21 C ATOM 144 C ASN A 9 11.895 -5.633 -7.026 1.00 62.12 C ATOM 145 O ASN A 9 13.043 -5.914 -7.375 1.00 74.21 O ATOM 146 CB ASN A 9 11.315 -3.201 -6.934 1.00 32.32 C ATOM 147 CG ASN A 9 12.382 -2.316 -7.548 1.00 54.15 C ATOM 148 OD1 ASN A 9 12.548 -2.280 -8.768 1.00 32.52 O ATOM 149 ND2 ASN A 9 13.111 -1.595 -6.704 1.00 72.43 N ATOM 0 H ASN A 9 9.103 -4.281 -7.197 1.00 54.13 H new ATOM 0 HA ASN A 9 11.514 -4.383 -8.718 1.00 34.21 H new ATOM 0 HB2 ASN A 9 10.370 -2.658 -6.903 1.00 32.32 H new ATOM 0 HB3 ASN A 9 11.585 -3.429 -5.903 1.00 32.32 H new ATOM 0 HD21 ASN A 9 13.843 -0.980 -7.059 1.00 72.43 H new ATOM 0 HD22 ASN A 9 12.939 -1.656 -5.701 1.00 72.43 H new ATOM 156 N LEU A 10 11.258 -6.275 -6.053 1.00 51.22 N ATOM 157 CA LEU A 10 11.883 -7.371 -5.322 1.00 65.42 C ATOM 158 C LEU A 10 11.668 -8.699 -6.042 1.00 13.30 C ATOM 159 O LEU A 10 12.434 -9.645 -5.864 1.00 24.53 O ATOM 160 CB LEU A 10 11.320 -7.451 -3.902 1.00 41.32 C ATOM 161 CG LEU A 10 11.114 -8.857 -3.340 1.00 20.55 C ATOM 162 CD1 LEU A 10 11.274 -8.856 -1.827 1.00 63.22 C ATOM 163 CD2 LEU A 10 9.745 -9.394 -3.732 1.00 41.31 C ATOM 0 H LEU A 10 10.309 -6.055 -5.752 1.00 51.22 H new ATOM 0 HA LEU A 10 12.954 -7.176 -5.271 1.00 65.42 H new ATOM 0 HB2 LEU A 10 11.992 -6.910 -3.235 1.00 41.32 H new ATOM 0 HB3 LEU A 10 10.363 -6.930 -3.882 1.00 41.32 H new ATOM 0 HG LEU A 10 11.874 -9.512 -3.766 1.00 20.55 H new ATOM 0 HD11 LEU A 10 11.124 -9.866 -1.445 1.00 63.22 H new ATOM 0 HD12 LEU A 10 12.276 -8.515 -1.567 1.00 63.22 H new ATOM 0 HD13 LEU A 10 10.537 -8.187 -1.384 1.00 63.22 H new ATOM 0 HD21 LEU A 10 9.616 -10.396 -3.323 1.00 41.31 H new ATOM 0 HD22 LEU A 10 8.970 -8.738 -3.336 1.00 41.31 H new ATOM 0 HD23 LEU A 10 9.667 -9.433 -4.819 1.00 41.31 H new ATOM 175 N PHE A 11 10.620 -8.760 -6.858 1.00 24.24 N ATOM 176 CA PHE A 11 10.304 -9.971 -7.606 1.00 22.20 C ATOM 177 C PHE A 11 11.563 -10.571 -8.226 1.00 74.51 C ATOM 178 O PHE A 11 12.272 -9.908 -8.982 1.00 5.43 O ATOM 179 CB PHE A 11 9.278 -9.667 -8.700 1.00 24.13 C ATOM 180 CG PHE A 11 7.855 -9.839 -8.251 1.00 62.44 C ATOM 181 CD1 PHE A 11 6.806 -9.443 -9.064 1.00 51.55 C ATOM 182 CD2 PHE A 11 7.567 -10.398 -7.017 1.00 11.14 C ATOM 183 CE1 PHE A 11 5.495 -9.600 -8.655 1.00 61.11 C ATOM 184 CE2 PHE A 11 6.258 -10.558 -6.602 1.00 62.41 C ATOM 185 CZ PHE A 11 5.221 -10.158 -7.422 1.00 1.22 C ATOM 0 H PHE A 11 9.976 -7.985 -7.018 1.00 24.24 H new ATOM 0 HA PHE A 11 9.880 -10.697 -6.912 1.00 22.20 H new ATOM 0 HB2 PHE A 11 9.420 -8.643 -9.046 1.00 24.13 H new ATOM 0 HB3 PHE A 11 9.463 -10.320 -9.553 1.00 24.13 H new ATOM 0 HD1 PHE A 11 7.015 -9.006 -10.029 1.00 51.55 H new ATOM 0 HD2 PHE A 11 8.374 -10.712 -6.372 1.00 11.14 H new ATOM 0 HE1 PHE A 11 4.686 -9.287 -9.299 1.00 61.11 H new ATOM 0 HE2 PHE A 11 6.046 -10.995 -5.637 1.00 62.41 H new ATOM 0 HZ PHE A 11 4.198 -10.281 -7.099 1.00 1.22 H new ATOM 195 N ARG A 12 11.832 -11.831 -7.900 1.00 65.32 N ATOM 196 CA ARG A 12 13.006 -12.521 -8.423 1.00 34.20 C ATOM 197 C ARG A 12 13.176 -12.249 -9.915 1.00 25.23 C ATOM 198 O ARG A 12 14.073 -11.511 -10.324 1.00 21.32 O ATOM 199 CB ARG A 12 12.889 -14.027 -8.178 1.00 44.23 C ATOM 200 CG ARG A 12 13.723 -14.520 -7.007 1.00 0.42 C ATOM 201 CD ARG A 12 15.206 -14.269 -7.234 1.00 33.04 C ATOM 202 NE ARG A 12 16.039 -15.240 -6.529 1.00 51.40 N ATOM 203 CZ ARG A 12 17.364 -15.271 -6.616 1.00 1.44 C ATOM 204 NH1 ARG A 12 18.003 -14.389 -7.372 1.00 61.12 N ATOM 205 NH2 ARG A 12 18.053 -16.185 -5.944 1.00 51.50 N ATOM 0 H ARG A 12 11.254 -12.395 -7.277 1.00 65.32 H new ATOM 0 HA ARG A 12 13.884 -12.142 -7.900 1.00 34.20 H new ATOM 0 HB2 ARG A 12 11.843 -14.277 -7.999 1.00 44.23 H new ATOM 0 HB3 ARG A 12 13.194 -14.558 -9.080 1.00 44.23 H new ATOM 0 HG2 ARG A 12 13.403 -14.017 -6.094 1.00 0.42 H new ATOM 0 HG3 ARG A 12 13.552 -15.586 -6.860 1.00 0.42 H new ATOM 0 HD2 ARG A 12 15.422 -14.313 -8.301 1.00 33.04 H new ATOM 0 HD3 ARG A 12 15.459 -13.263 -6.899 1.00 33.04 H new ATOM 0 HE ARG A 12 15.578 -15.932 -5.938 1.00 51.40 H new ATOM 0 HH11 ARG A 12 17.477 -13.684 -7.889 1.00 61.12 H new ATOM 0 HH12 ARG A 12 19.021 -14.415 -7.437 1.00 61.12 H new ATOM 0 HH21 ARG A 12 17.565 -16.864 -5.360 1.00 51.50 H new ATOM 0 HH22 ARG A 12 19.071 -16.208 -6.011 1.00 51.50 H new ATOM 219 N LYS A 13 12.311 -12.851 -10.723 1.00 54.44 N ATOM 220 CA LYS A 13 12.364 -12.674 -12.170 1.00 12.22 C ATOM 221 C LYS A 13 11.216 -11.793 -12.653 1.00 0.12 C ATOM 222 O LYS A 13 11.405 -10.609 -12.936 1.00 62.35 O ATOM 223 CB LYS A 13 12.309 -14.032 -12.873 1.00 20.13 C ATOM 224 CG LYS A 13 12.102 -15.200 -11.924 1.00 0.01 C ATOM 225 CD LYS A 13 12.503 -16.518 -12.566 1.00 4.44 C ATOM 226 CE LYS A 13 13.952 -16.867 -12.261 1.00 31.51 C ATOM 227 NZ LYS A 13 14.872 -16.407 -13.338 1.00 31.14 N ATOM 0 H LYS A 13 11.564 -13.466 -10.401 1.00 54.44 H new ATOM 0 HA LYS A 13 13.305 -12.182 -12.416 1.00 12.22 H new ATOM 0 HB2 LYS A 13 11.500 -14.021 -13.604 1.00 20.13 H new ATOM 0 HB3 LYS A 13 13.236 -14.184 -13.426 1.00 20.13 H new ATOM 0 HG2 LYS A 13 12.688 -15.042 -11.018 1.00 0.01 H new ATOM 0 HG3 LYS A 13 11.055 -15.244 -11.623 1.00 0.01 H new ATOM 0 HD2 LYS A 13 11.852 -17.314 -12.204 1.00 4.44 H new ATOM 0 HD3 LYS A 13 12.362 -16.457 -13.645 1.00 4.44 H new ATOM 0 HE2 LYS A 13 14.244 -16.411 -11.315 1.00 31.51 H new ATOM 0 HE3 LYS A 13 14.048 -17.946 -12.138 1.00 31.51 H new ATOM 0 HZ1 LYS A 13 15.778 -16.911 -13.259 1.00 31.14 H new ATOM 0 HZ2 LYS A 13 14.446 -16.604 -14.266 1.00 31.14 H new ATOM 0 HZ3 LYS A 13 15.035 -15.384 -13.242 1.00 31.14 H new ATOM 241 N LEU A 14 10.026 -12.376 -12.743 1.00 21.52 N ATOM 242 CA LEU A 14 8.847 -11.644 -13.190 1.00 55.21 C ATOM 243 C LEU A 14 7.845 -11.478 -12.052 1.00 55.10 C ATOM 244 O LEU A 14 7.993 -10.600 -11.202 1.00 5.25 O ATOM 245 CB LEU A 14 8.186 -12.369 -14.364 1.00 45.33 C ATOM 246 CG LEU A 14 6.854 -11.793 -14.846 1.00 4.54 C ATOM 247 CD1 LEU A 14 7.032 -11.077 -16.176 1.00 32.21 C ATOM 248 CD2 LEU A 14 5.809 -12.892 -14.965 1.00 24.35 C ATOM 0 H LEU A 14 9.852 -13.354 -12.512 1.00 21.52 H new ATOM 0 HA LEU A 14 9.167 -10.654 -13.516 1.00 55.21 H new ATOM 0 HB2 LEU A 14 8.883 -12.371 -15.202 1.00 45.33 H new ATOM 0 HB3 LEU A 14 8.027 -13.409 -14.079 1.00 45.33 H new ATOM 0 HG LEU A 14 6.506 -11.068 -14.110 1.00 4.54 H new ATOM 0 HD11 LEU A 14 6.074 -10.674 -16.503 1.00 32.21 H new ATOM 0 HD12 LEU A 14 7.747 -10.263 -16.058 1.00 32.21 H new ATOM 0 HD13 LEU A 14 7.403 -11.781 -16.921 1.00 32.21 H new ATOM 0 HD21 LEU A 14 4.868 -12.463 -15.309 1.00 24.35 H new ATOM 0 HD22 LEU A 14 6.149 -13.642 -15.679 1.00 24.35 H new ATOM 0 HD23 LEU A 14 5.660 -13.360 -13.992 1.00 24.35 H new ATOM 260 N THR A 15 6.823 -12.329 -12.041 1.00 23.14 N ATOM 261 CA THR A 15 5.797 -12.278 -11.007 1.00 2.11 C ATOM 262 C THR A 15 5.438 -13.677 -10.519 1.00 5.34 C ATOM 263 O THR A 15 5.243 -13.897 -9.323 1.00 0.42 O ATOM 264 CB THR A 15 4.521 -11.581 -11.516 1.00 22.20 C ATOM 265 OG1 THR A 15 4.641 -10.163 -11.359 1.00 25.00 O ATOM 266 CG2 THR A 15 3.296 -12.078 -10.763 1.00 3.22 C ATOM 0 H THR A 15 6.684 -13.062 -12.737 1.00 23.14 H new ATOM 0 HA THR A 15 6.211 -11.703 -10.179 1.00 2.11 H new ATOM 0 HB THR A 15 4.400 -11.820 -12.573 1.00 22.20 H new ATOM 0 HG1 THR A 15 5.376 -9.963 -10.743 1.00 25.00 H new ATOM 0 HG21 THR A 15 2.407 -11.572 -11.140 1.00 3.22 H new ATOM 0 HG22 THR A 15 3.191 -13.153 -10.909 1.00 3.22 H new ATOM 0 HG23 THR A 15 3.411 -11.866 -9.700 1.00 3.22 H new ATOM 274 N HIS A 16 5.354 -14.620 -11.451 1.00 31.41 N ATOM 275 CA HIS A 16 5.020 -16.000 -11.114 1.00 53.33 C ATOM 276 C HIS A 16 6.024 -16.968 -11.732 1.00 74.33 C ATOM 277 O HIS A 16 5.715 -18.139 -11.954 1.00 22.41 O ATOM 278 CB HIS A 16 3.607 -16.336 -11.594 1.00 23.11 C ATOM 279 CG HIS A 16 2.535 -15.573 -10.880 1.00 13.14 C ATOM 280 ND1 HIS A 16 1.786 -14.584 -11.482 1.00 72.34 N ATOM 281 CD2 HIS A 16 2.085 -15.659 -9.606 1.00 24.23 C ATOM 282 CE1 HIS A 16 0.924 -14.094 -10.610 1.00 35.43 C ATOM 283 NE2 HIS A 16 1.084 -14.730 -9.463 1.00 44.01 N ATOM 0 H HIS A 16 5.512 -14.455 -12.445 1.00 31.41 H new ATOM 0 HA HIS A 16 5.062 -16.104 -10.030 1.00 53.33 H new ATOM 0 HB2 HIS A 16 3.537 -16.132 -12.662 1.00 23.11 H new ATOM 0 HB3 HIS A 16 3.431 -17.404 -11.462 1.00 23.11 H new ATOM 0 HD2 HIS A 16 2.446 -16.333 -8.844 1.00 24.23 H new ATOM 0 HE1 HIS A 16 0.210 -13.307 -10.802 1.00 35.43 H new ATOM 0 HE2 HIS A 16 0.551 -14.559 -8.610 1.00 44.01 H new ATOM 291 N ARG A 17 7.225 -16.471 -12.009 1.00 32.43 N ATOM 292 CA ARG A 17 8.273 -17.292 -12.603 1.00 31.31 C ATOM 293 C ARG A 17 8.958 -18.150 -11.543 1.00 73.52 C ATOM 294 O ARG A 17 8.738 -19.360 -11.472 1.00 21.43 O ATOM 295 CB ARG A 17 9.306 -16.409 -13.305 1.00 10.23 C ATOM 296 CG ARG A 17 8.869 -15.936 -14.682 1.00 35.44 C ATOM 297 CD ARG A 17 9.958 -15.124 -15.364 1.00 13.43 C ATOM 298 NE ARG A 17 9.711 -14.970 -16.795 1.00 11.11 N ATOM 299 CZ ARG A 17 10.343 -14.086 -17.559 1.00 12.11 C ATOM 300 NH1 ARG A 17 11.255 -13.281 -17.031 1.00 52.15 N ATOM 301 NH2 ARG A 17 10.063 -14.006 -18.854 1.00 22.14 N ATOM 0 H ARG A 17 7.496 -15.504 -11.832 1.00 32.43 H new ATOM 0 HA ARG A 17 7.810 -17.952 -13.337 1.00 31.31 H new ATOM 0 HB2 ARG A 17 9.513 -15.540 -12.680 1.00 10.23 H new ATOM 0 HB3 ARG A 17 10.240 -16.963 -13.400 1.00 10.23 H new ATOM 0 HG2 ARG A 17 8.615 -16.797 -15.300 1.00 35.44 H new ATOM 0 HG3 ARG A 17 7.966 -15.332 -14.591 1.00 35.44 H new ATOM 0 HD2 ARG A 17 10.021 -14.140 -14.899 1.00 13.43 H new ATOM 0 HD3 ARG A 17 10.922 -15.611 -15.213 1.00 13.43 H new ATOM 0 HE ARG A 17 9.015 -15.574 -17.232 1.00 11.11 H new ATOM 0 HH11 ARG A 17 11.473 -13.340 -16.036 1.00 52.15 H new ATOM 0 HH12 ARG A 17 11.739 -12.603 -17.620 1.00 52.15 H new ATOM 0 HH21 ARG A 17 9.362 -14.624 -19.263 1.00 22.14 H new ATOM 0 HH22 ARG A 17 10.549 -13.327 -19.440 1.00 22.14 H new ATOM 315 N LEU A 18 9.788 -17.517 -10.723 1.00 3.13 N ATOM 316 CA LEU A 18 10.506 -18.222 -9.666 1.00 43.04 C ATOM 317 C LEU A 18 9.740 -18.155 -8.349 1.00 63.21 C ATOM 318 O LEU A 18 10.274 -18.490 -7.291 1.00 53.11 O ATOM 319 CB LEU A 18 11.904 -17.627 -9.488 1.00 10.34 C ATOM 320 CG LEU A 18 12.712 -18.155 -8.302 1.00 12.24 C ATOM 321 CD1 LEU A 18 12.695 -19.675 -8.279 1.00 62.32 C ATOM 322 CD2 LEU A 18 14.141 -17.636 -8.357 1.00 3.14 C ATOM 0 H LEU A 18 9.981 -16.517 -10.769 1.00 3.13 H new ATOM 0 HA LEU A 18 10.598 -19.268 -9.958 1.00 43.04 H new ATOM 0 HB2 LEU A 18 12.473 -17.809 -10.400 1.00 10.34 H new ATOM 0 HB3 LEU A 18 11.807 -16.546 -9.383 1.00 10.34 H new ATOM 0 HG LEU A 18 12.251 -17.793 -7.383 1.00 12.24 H new ATOM 0 HD11 LEU A 18 13.275 -20.033 -7.428 1.00 62.32 H new ATOM 0 HD12 LEU A 18 11.667 -20.026 -8.190 1.00 62.32 H new ATOM 0 HD13 LEU A 18 13.131 -20.058 -9.202 1.00 62.32 H new ATOM 0 HD21 LEU A 18 14.701 -18.022 -7.505 1.00 3.14 H new ATOM 0 HD22 LEU A 18 14.613 -17.967 -9.282 1.00 3.14 H new ATOM 0 HD23 LEU A 18 14.134 -16.547 -8.323 1.00 3.14 H new ATOM 334 N PHE A 19 8.486 -17.723 -8.421 1.00 51.43 N ATOM 335 CA PHE A 19 7.645 -17.613 -7.235 1.00 24.24 C ATOM 336 C PHE A 19 6.705 -18.809 -7.122 1.00 75.23 C ATOM 337 O PHE A 19 5.748 -18.790 -6.347 1.00 4.30 O ATOM 338 CB PHE A 19 6.836 -16.315 -7.275 1.00 21.22 C ATOM 339 CG PHE A 19 7.557 -15.180 -7.944 1.00 12.00 C ATOM 340 CD1 PHE A 19 8.179 -14.197 -7.191 1.00 54.12 C ATOM 341 CD2 PHE A 19 7.612 -15.096 -9.326 1.00 12.41 C ATOM 342 CE1 PHE A 19 8.843 -13.151 -7.804 1.00 31.01 C ATOM 343 CE2 PHE A 19 8.275 -14.052 -9.944 1.00 71.41 C ATOM 344 CZ PHE A 19 8.890 -13.078 -9.182 1.00 62.32 C ATOM 0 H PHE A 19 8.029 -17.443 -9.289 1.00 51.43 H new ATOM 0 HA PHE A 19 8.295 -17.600 -6.360 1.00 24.24 H new ATOM 0 HB2 PHE A 19 5.897 -16.497 -7.798 1.00 21.22 H new ATOM 0 HB3 PHE A 19 6.582 -16.023 -6.256 1.00 21.22 H new ATOM 0 HD1 PHE A 19 8.145 -14.249 -6.113 1.00 54.12 H new ATOM 0 HD2 PHE A 19 7.132 -15.854 -9.927 1.00 12.41 H new ATOM 0 HE1 PHE A 19 9.325 -12.392 -7.206 1.00 31.01 H new ATOM 0 HE2 PHE A 19 8.312 -13.998 -11.022 1.00 71.41 H new ATOM 0 HZ PHE A 19 9.407 -12.261 -9.663 1.00 62.32 H new ATOM 354 N ARG A 20 6.983 -19.849 -7.902 1.00 52.44 N ATOM 355 CA ARG A 20 6.161 -21.053 -7.893 1.00 0.25 C ATOM 356 C ARG A 20 7.022 -22.297 -7.698 1.00 24.22 C ATOM 357 O ARG A 20 6.547 -23.423 -7.849 1.00 3.22 O ATOM 358 CB ARG A 20 5.369 -21.166 -9.197 1.00 25.43 C ATOM 359 CG ARG A 20 6.245 -21.330 -10.428 1.00 70.42 C ATOM 360 CD ARG A 20 6.260 -22.772 -10.913 1.00 51.42 C ATOM 361 NE ARG A 20 6.325 -22.858 -12.370 1.00 23.34 N ATOM 362 CZ ARG A 20 6.500 -23.997 -13.031 1.00 4.01 C ATOM 363 NH1 ARG A 20 6.627 -25.139 -12.369 1.00 75.03 N ATOM 364 NH2 ARG A 20 6.549 -23.995 -14.357 1.00 1.21 N ATOM 0 H ARG A 20 7.771 -19.882 -8.548 1.00 52.44 H new ATOM 0 HA ARG A 20 5.464 -20.980 -7.058 1.00 0.25 H new ATOM 0 HB2 ARG A 20 4.691 -22.016 -9.128 1.00 25.43 H new ATOM 0 HB3 ARG A 20 4.752 -20.275 -9.316 1.00 25.43 H new ATOM 0 HG2 ARG A 20 5.881 -20.681 -11.224 1.00 70.42 H new ATOM 0 HG3 ARG A 20 7.262 -21.012 -10.197 1.00 70.42 H new ATOM 0 HD2 ARG A 20 7.115 -23.291 -10.481 1.00 51.42 H new ATOM 0 HD3 ARG A 20 5.365 -23.283 -10.559 1.00 51.42 H new ATOM 0 HE ARG A 20 6.231 -21.997 -12.909 1.00 23.34 H new ATOM 0 HH11 ARG A 20 6.590 -25.144 -11.350 1.00 75.03 H new ATOM 0 HH12 ARG A 20 6.761 -26.012 -12.879 1.00 75.03 H new ATOM 0 HH21 ARG A 20 6.452 -23.118 -14.870 1.00 1.21 H new ATOM 0 HH22 ARG A 20 6.683 -24.870 -14.864 1.00 1.21 H new ATOM 378 N ARG A 21 8.291 -22.086 -7.362 1.00 51.13 N ATOM 379 CA ARG A 21 9.219 -23.190 -7.149 1.00 13.12 C ATOM 380 C ARG A 21 9.367 -23.495 -5.661 1.00 63.21 C ATOM 381 O ARG A 21 9.069 -24.601 -5.212 1.00 13.34 O ATOM 382 CB ARG A 21 10.585 -22.859 -7.751 1.00 64.45 C ATOM 383 CG ARG A 21 10.549 -22.627 -9.253 1.00 53.01 C ATOM 384 CD ARG A 21 9.979 -23.830 -9.989 1.00 44.32 C ATOM 385 NE ARG A 21 10.778 -25.033 -9.772 1.00 42.20 N ATOM 386 CZ ARG A 21 11.965 -25.238 -10.333 1.00 74.41 C ATOM 387 NH1 ARG A 21 12.487 -24.326 -11.140 1.00 41.53 N ATOM 388 NH2 ARG A 21 12.631 -26.359 -10.087 1.00 2.04 N ATOM 0 H ARG A 21 8.700 -21.161 -7.232 1.00 51.13 H new ATOM 0 HA ARG A 21 8.816 -24.073 -7.645 1.00 13.12 H new ATOM 0 HB2 ARG A 21 10.981 -21.968 -7.264 1.00 64.45 H new ATOM 0 HB3 ARG A 21 11.275 -23.674 -7.534 1.00 64.45 H new ATOM 0 HG2 ARG A 21 9.946 -21.746 -9.472 1.00 53.01 H new ATOM 0 HG3 ARG A 21 11.556 -22.422 -9.615 1.00 53.01 H new ATOM 0 HD2 ARG A 21 8.957 -24.008 -9.655 1.00 44.32 H new ATOM 0 HD3 ARG A 21 9.932 -23.613 -11.056 1.00 44.32 H new ATOM 0 HE ARG A 21 10.405 -25.755 -9.156 1.00 42.20 H new ATOM 0 HH11 ARG A 21 11.977 -23.464 -11.332 1.00 41.53 H new ATOM 0 HH12 ARG A 21 13.398 -24.486 -11.569 1.00 41.53 H new ATOM 0 HH21 ARG A 21 12.232 -27.064 -9.467 1.00 2.04 H new ATOM 0 HH22 ARG A 21 13.542 -26.516 -10.518 1.00 2.04 H new ATOM 402 N ASN A 22 9.831 -22.507 -4.903 1.00 24.10 N ATOM 403 CA ASN A 22 10.021 -22.670 -3.466 1.00 72.42 C ATOM 404 C ASN A 22 9.135 -21.703 -2.687 1.00 75.13 C ATOM 405 O ASN A 22 8.226 -22.119 -1.967 1.00 44.24 O ATOM 406 CB ASN A 22 11.488 -22.446 -3.095 1.00 62.45 C ATOM 407 CG ASN A 22 12.135 -23.690 -2.517 1.00 72.21 C ATOM 408 OD1 ASN A 22 13.137 -24.181 -3.036 1.00 44.23 O ATOM 409 ND2 ASN A 22 11.562 -24.207 -1.436 1.00 53.42 N ATOM 0 H ASN A 22 10.082 -21.585 -5.260 1.00 24.10 H new ATOM 0 HA ASN A 22 9.738 -23.689 -3.201 1.00 72.42 H new ATOM 0 HB2 ASN A 22 12.040 -22.131 -3.981 1.00 62.45 H new ATOM 0 HB3 ASN A 22 11.557 -21.634 -2.371 1.00 62.45 H new ATOM 0 HD21 ASN A 22 11.952 -25.044 -1.003 1.00 53.42 H new ATOM 0 HD22 ASN A 22 10.732 -23.767 -1.039 1.00 53.42 H new ATOM 416 N PHE A 23 9.404 -20.411 -2.837 1.00 4.40 N ATOM 417 CA PHE A 23 8.632 -19.383 -2.148 1.00 22.53 C ATOM 418 C PHE A 23 7.404 -18.988 -2.963 1.00 3.44 C ATOM 419 O PHE A 23 7.468 -18.097 -3.809 1.00 11.35 O ATOM 420 CB PHE A 23 9.502 -18.152 -1.884 1.00 32.50 C ATOM 421 CG PHE A 23 10.124 -17.581 -3.126 1.00 13.31 C ATOM 422 CD1 PHE A 23 9.605 -16.438 -3.713 1.00 62.13 C ATOM 423 CD2 PHE A 23 11.227 -18.186 -3.706 1.00 74.41 C ATOM 424 CE1 PHE A 23 10.175 -15.909 -4.856 1.00 23.00 C ATOM 425 CE2 PHE A 23 11.801 -17.662 -4.848 1.00 42.34 C ATOM 426 CZ PHE A 23 11.274 -16.522 -5.425 1.00 22.52 C ATOM 0 H PHE A 23 10.151 -20.050 -3.430 1.00 4.40 H new ATOM 0 HA PHE A 23 8.297 -19.793 -1.195 1.00 22.53 H new ATOM 0 HB2 PHE A 23 8.895 -17.384 -1.405 1.00 32.50 H new ATOM 0 HB3 PHE A 23 10.291 -18.419 -1.181 1.00 32.50 H new ATOM 0 HD1 PHE A 23 8.745 -15.955 -3.272 1.00 62.13 H new ATOM 0 HD2 PHE A 23 11.643 -19.077 -3.260 1.00 74.41 H new ATOM 0 HE1 PHE A 23 9.761 -15.017 -5.303 1.00 23.00 H new ATOM 0 HE2 PHE A 23 12.661 -18.143 -5.290 1.00 42.34 H new ATOM 0 HZ PHE A 23 11.721 -16.112 -6.319 1.00 22.52 H new ATOM 436 N GLY A 24 6.286 -19.658 -2.701 1.00 22.11 N ATOM 437 CA GLY A 24 5.059 -19.363 -3.418 1.00 65.40 C ATOM 438 C GLY A 24 4.797 -17.875 -3.531 1.00 3.30 C ATOM 439 O GLY A 24 5.210 -17.236 -4.499 1.00 64.23 O ATOM 0 H GLY A 24 6.208 -20.400 -2.005 1.00 22.11 H new ATOM 0 HA2 GLY A 24 5.112 -19.796 -4.417 1.00 65.40 H new ATOM 0 HA3 GLY A 24 4.221 -19.839 -2.909 1.00 65.40 H new ATOM 443 N TYR A 25 4.108 -17.320 -2.540 1.00 74.43 N ATOM 444 CA TYR A 25 3.787 -15.898 -2.535 1.00 31.04 C ATOM 445 C TYR A 25 4.102 -15.274 -1.178 1.00 74.14 C ATOM 446 O TYR A 25 3.290 -15.325 -0.254 1.00 33.32 O ATOM 447 CB TYR A 25 2.311 -15.685 -2.876 1.00 63.14 C ATOM 448 CG TYR A 25 2.079 -14.608 -3.912 1.00 71.42 C ATOM 449 CD1 TYR A 25 2.439 -14.805 -5.240 1.00 34.31 C ATOM 450 CD2 TYR A 25 1.501 -13.394 -3.563 1.00 72.24 C ATOM 451 CE1 TYR A 25 2.229 -13.824 -6.190 1.00 31.32 C ATOM 452 CE2 TYR A 25 1.286 -12.408 -4.507 1.00 21.22 C ATOM 453 CZ TYR A 25 1.652 -12.628 -5.818 1.00 51.24 C ATOM 454 OH TYR A 25 1.441 -11.648 -6.761 1.00 11.52 O ATOM 0 H TYR A 25 3.761 -17.833 -1.730 1.00 74.43 H new ATOM 0 HA TYR A 25 4.402 -15.410 -3.292 1.00 31.04 H new ATOM 0 HB2 TYR A 25 1.891 -16.623 -3.239 1.00 63.14 H new ATOM 0 HB3 TYR A 25 1.770 -15.425 -1.966 1.00 63.14 H new ATOM 0 HD1 TYR A 25 2.891 -15.741 -5.534 1.00 34.31 H new ATOM 0 HD2 TYR A 25 1.215 -13.218 -2.537 1.00 72.24 H new ATOM 0 HE1 TYR A 25 2.515 -13.993 -7.218 1.00 31.32 H new ATOM 0 HE2 TYR A 25 0.834 -11.470 -4.219 1.00 21.22 H new ATOM 0 HH TYR A 25 1.026 -10.869 -6.336 1.00 11.52 H new ATOM 464 N THR A 26 5.287 -14.683 -1.067 1.00 25.42 N ATOM 465 CA THR A 26 5.712 -14.049 0.175 1.00 73.40 C ATOM 466 C THR A 26 5.029 -12.700 0.365 1.00 55.04 C ATOM 467 O THR A 26 4.987 -12.164 1.473 1.00 51.11 O ATOM 468 CB THR A 26 7.239 -13.849 0.210 1.00 15.51 C ATOM 469 OG1 THR A 26 7.691 -13.765 1.566 1.00 15.12 O ATOM 470 CG2 THR A 26 7.636 -12.587 -0.541 1.00 13.40 C ATOM 0 H THR A 26 5.970 -14.630 -1.823 1.00 25.42 H new ATOM 0 HA THR A 26 5.422 -14.717 0.986 1.00 73.40 H new ATOM 0 HB THR A 26 7.707 -14.705 -0.276 1.00 15.51 H new ATOM 0 HG1 THR A 26 8.663 -13.639 1.580 1.00 15.12 H new ATOM 0 HG21 THR A 26 8.719 -12.466 -0.503 1.00 13.40 H new ATOM 0 HG22 THR A 26 7.316 -12.666 -1.580 1.00 13.40 H new ATOM 0 HG23 THR A 26 7.158 -11.723 -0.079 1.00 13.40 H new ATOM 478 N LEU A 27 4.493 -12.155 -0.722 1.00 62.33 N ATOM 479 CA LEU A 27 3.810 -10.867 -0.675 1.00 61.14 C ATOM 480 C LEU A 27 2.554 -10.948 0.186 1.00 72.01 C ATOM 481 O LEU A 27 2.308 -10.082 1.025 1.00 0.34 O ATOM 482 CB LEU A 27 3.445 -10.410 -2.089 1.00 13.34 C ATOM 483 CG LEU A 27 4.264 -11.022 -3.225 1.00 71.22 C ATOM 484 CD1 LEU A 27 3.812 -10.468 -4.568 1.00 31.55 C ATOM 485 CD2 LEU A 27 5.748 -10.764 -3.012 1.00 43.41 C ATOM 0 H LEU A 27 4.518 -12.585 -1.646 1.00 62.33 H new ATOM 0 HA LEU A 27 4.488 -10.140 -0.228 1.00 61.14 H new ATOM 0 HB2 LEU A 27 2.393 -10.638 -2.263 1.00 13.34 H new ATOM 0 HB3 LEU A 27 3.548 -9.326 -2.137 1.00 13.34 H new ATOM 0 HG LEU A 27 4.100 -12.100 -3.226 1.00 71.22 H new ATOM 0 HD11 LEU A 27 4.406 -10.915 -5.365 1.00 31.55 H new ATOM 0 HD12 LEU A 27 2.760 -10.705 -4.724 1.00 31.55 H new ATOM 0 HD13 LEU A 27 3.946 -9.386 -4.579 1.00 31.55 H new ATOM 0 HD21 LEU A 27 6.315 -11.207 -3.830 1.00 43.41 H new ATOM 0 HD22 LEU A 27 5.930 -9.690 -2.984 1.00 43.41 H new ATOM 0 HD23 LEU A 27 6.063 -11.210 -2.069 1.00 43.41 H new ATOM 497 N ARG A 28 1.763 -11.995 -0.027 1.00 2.14 N ATOM 498 CA ARG A 28 0.533 -12.190 0.731 1.00 51.41 C ATOM 499 C ARG A 28 0.837 -12.661 2.150 1.00 0.41 C ATOM 500 O ARG A 28 -0.015 -12.584 3.036 1.00 44.12 O ATOM 501 CB ARG A 28 -0.369 -13.205 0.027 1.00 32.23 C ATOM 502 CG ARG A 28 -1.746 -13.336 0.657 1.00 13.22 C ATOM 503 CD ARG A 28 -2.461 -11.995 0.717 1.00 51.13 C ATOM 504 NE ARG A 28 -3.802 -12.064 0.142 1.00 10.42 N ATOM 505 CZ ARG A 28 -4.675 -11.063 0.192 1.00 62.44 C ATOM 506 NH1 ARG A 28 -4.349 -9.924 0.786 1.00 52.23 N ATOM 507 NH2 ARG A 28 -5.876 -11.202 -0.354 1.00 72.14 N ATOM 0 H ARG A 28 1.952 -12.721 -0.718 1.00 2.14 H new ATOM 0 HA ARG A 28 0.015 -11.232 0.788 1.00 51.41 H new ATOM 0 HB2 ARG A 28 -0.483 -12.914 -1.017 1.00 32.23 H new ATOM 0 HB3 ARG A 28 0.119 -14.179 0.035 1.00 32.23 H new ATOM 0 HG2 ARG A 28 -2.344 -14.043 0.083 1.00 13.22 H new ATOM 0 HG3 ARG A 28 -1.650 -13.744 1.663 1.00 13.22 H new ATOM 0 HD2 ARG A 28 -2.528 -11.666 1.754 1.00 51.13 H new ATOM 0 HD3 ARG A 28 -1.875 -11.247 0.182 1.00 51.13 H new ATOM 0 HE ARG A 28 -4.084 -12.927 -0.323 1.00 10.42 H new ATOM 0 HH11 ARG A 28 -3.426 -9.814 1.206 1.00 52.23 H new ATOM 0 HH12 ARG A 28 -5.021 -9.157 0.823 1.00 52.23 H new ATOM 0 HH21 ARG A 28 -6.130 -12.077 -0.812 1.00 72.14 H new ATOM 0 HH22 ARG A 28 -6.546 -10.434 -0.315 1.00 72.14 H new