USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 271 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 27 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 1 SER N :NH3+ -110:sc= -2.67 (180deg=-6.97!) USER MOD Single : A 1 SER OG : rot 43:sc= 0.0499 USER MOD Single : A 3 THR OG1 : rot -32:sc= 0.25 USER MOD Single : A 16 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.32) USER MOD Single : A 17 SER OG : rot 44:sc= 0.407 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.367 K(o=-0.37,f=-0.95) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 86:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.847 -2.095 -1.369 1.00 73.43 N ATOM 2 CA SER A 1 1.217 -0.868 -1.841 1.00 42.42 C ATOM 3 C SER A 1 0.219 -1.163 -2.957 1.00 1.14 C ATOM 4 O SER A 1 0.585 -1.679 -4.013 1.00 22.11 O ATOM 5 CB SER A 1 2.278 0.116 -2.338 1.00 43.11 C ATOM 6 OG SER A 1 3.251 -0.541 -3.132 1.00 1.12 O ATOM 0 H1 SER A 1 1.508 -2.313 -0.410 1.00 73.43 H new ATOM 0 H2 SER A 1 1.604 -2.878 -2.009 1.00 73.43 H new ATOM 0 H3 SER A 1 2.879 -1.970 -1.351 1.00 73.43 H new ATOM 0 HA SER A 1 0.679 -0.421 -1.005 1.00 42.42 H new ATOM 0 HB2 SER A 1 1.802 0.906 -2.920 1.00 43.11 H new ATOM 0 HB3 SER A 1 2.762 0.595 -1.487 1.00 43.11 H new ATOM 0 HG SER A 1 2.808 -1.173 -3.736 1.00 1.12 H new ATOM 12 N CYS A 2 -1.045 -0.832 -2.714 1.00 3.40 N ATOM 13 CA CYS A 2 -2.098 -1.061 -3.696 1.00 2.42 C ATOM 14 C CYS A 2 -2.996 0.166 -3.827 1.00 4.43 C ATOM 15 O CYS A 2 -4.148 0.065 -4.250 1.00 3.12 O ATOM 16 CB CYS A 2 -2.935 -2.279 -3.302 1.00 10.02 C ATOM 17 SG CYS A 2 -1.964 -3.802 -3.061 1.00 14.42 S ATOM 0 H CYS A 2 -1.365 -0.404 -1.845 1.00 3.40 H new ATOM 0 HA CYS A 2 -1.626 -1.249 -4.661 1.00 2.42 H new ATOM 0 HB2 CYS A 2 -3.473 -2.054 -2.381 1.00 10.02 H new ATOM 0 HB3 CYS A 2 -3.684 -2.457 -4.074 1.00 10.02 H new ATOM 22 N THR A 3 -2.460 1.327 -3.461 1.00 23.23 N ATOM 23 CA THR A 3 -3.211 2.573 -3.536 1.00 12.31 C ATOM 24 C THR A 3 -2.279 3.779 -3.515 1.00 11.32 C ATOM 25 O THR A 3 -2.181 4.483 -2.509 1.00 44.33 O ATOM 26 CB THR A 3 -4.216 2.695 -2.374 1.00 64.34 C ATOM 27 OG1 THR A 3 -4.913 1.456 -2.198 1.00 51.55 O ATOM 28 CG2 THR A 3 -5.214 3.812 -2.637 1.00 10.00 C ATOM 0 H THR A 3 -1.508 1.429 -3.110 1.00 23.23 H new ATOM 0 HA THR A 3 -3.758 2.556 -4.479 1.00 12.31 H new ATOM 0 HB THR A 3 -3.662 2.932 -1.466 1.00 64.34 H new ATOM 0 HG1 THR A 3 -5.013 1.011 -3.065 1.00 51.55 H new ATOM 0 HG21 THR A 3 -5.913 3.879 -1.803 1.00 10.00 H new ATOM 0 HG22 THR A 3 -4.682 4.758 -2.742 1.00 10.00 H new ATOM 0 HG23 THR A 3 -5.763 3.601 -3.555 1.00 10.00 H new ATOM 36 N CYS A 4 -1.597 4.013 -4.631 1.00 3.43 N ATOM 37 CA CYS A 4 -0.672 5.135 -4.741 1.00 50.11 C ATOM 38 C CYS A 4 -1.375 6.452 -4.425 1.00 43.44 C ATOM 39 O CYS A 4 -2.054 7.025 -5.277 1.00 75.24 O ATOM 40 CB CYS A 4 -0.069 5.190 -6.146 1.00 73.23 C ATOM 41 SG CYS A 4 1.424 6.226 -6.275 1.00 73.41 S ATOM 0 H CYS A 4 -1.667 3.441 -5.472 1.00 3.43 H new ATOM 0 HA CYS A 4 0.128 4.987 -4.015 1.00 50.11 H new ATOM 0 HB2 CYS A 4 0.176 4.177 -6.464 1.00 73.23 H new ATOM 0 HB3 CYS A 4 -0.821 5.568 -6.838 1.00 73.23 H new ATOM 46 N ARG A 5 -1.205 6.927 -3.196 1.00 11.12 N ATOM 47 CA ARG A 5 -1.823 8.176 -2.767 1.00 33.10 C ATOM 48 C ARG A 5 -1.074 8.774 -1.579 1.00 74.53 C ATOM 49 O ARG A 5 -0.051 8.243 -1.147 1.00 73.51 O ATOM 50 CB ARG A 5 -3.289 7.943 -2.395 1.00 23.14 C ATOM 51 CG ARG A 5 -3.484 7.441 -0.973 1.00 45.51 C ATOM 52 CD ARG A 5 -4.883 6.883 -0.766 1.00 41.31 C ATOM 53 NE ARG A 5 -5.892 7.938 -0.721 1.00 2.22 N ATOM 54 CZ ARG A 5 -7.115 7.765 -0.231 1.00 45.25 C ATOM 55 NH1 ARG A 5 -7.478 6.585 0.252 1.00 2.30 N ATOM 56 NH2 ARG A 5 -7.977 8.774 -0.225 1.00 23.13 N ATOM 0 H ARG A 5 -0.644 6.466 -2.479 1.00 11.12 H new ATOM 0 HA ARG A 5 -1.773 8.881 -3.597 1.00 33.10 H new ATOM 0 HB2 ARG A 5 -3.840 8.875 -2.521 1.00 23.14 H new ATOM 0 HB3 ARG A 5 -3.721 7.221 -3.089 1.00 23.14 H new ATOM 0 HG2 ARG A 5 -2.747 6.668 -0.755 1.00 45.51 H new ATOM 0 HG3 ARG A 5 -3.309 8.256 -0.271 1.00 45.51 H new ATOM 0 HD2 ARG A 5 -5.120 6.189 -1.573 1.00 41.31 H new ATOM 0 HD3 ARG A 5 -4.912 6.313 0.163 1.00 41.31 H new ATOM 0 HE ARG A 5 -5.644 8.858 -1.086 1.00 2.22 H new ATOM 0 HH11 ARG A 5 -6.818 5.807 0.248 1.00 2.30 H new ATOM 0 HH12 ARG A 5 -8.417 6.455 0.628 1.00 2.30 H new ATOM 0 HH21 ARG A 5 -7.701 9.683 -0.597 1.00 23.13 H new ATOM 0 HH22 ARG A 5 -8.916 8.641 0.151 1.00 23.13 H new ATOM 70 N ARG A 6 -1.591 9.881 -1.057 1.00 52.01 N ATOM 71 CA ARG A 6 -0.971 10.552 0.079 1.00 63.30 C ATOM 72 C ARG A 6 -2.029 11.066 1.051 1.00 43.44 C ATOM 73 O ARG A 6 -2.907 11.841 0.674 1.00 51.53 O ATOM 74 CB ARG A 6 -0.097 11.712 -0.401 1.00 64.44 C ATOM 75 CG ARG A 6 -0.176 11.954 -1.900 1.00 21.02 C ATOM 76 CD ARG A 6 0.781 13.051 -2.338 1.00 42.40 C ATOM 77 NE ARG A 6 0.530 14.308 -1.638 1.00 4.22 N ATOM 78 CZ ARG A 6 1.028 15.477 -2.025 1.00 3.30 C ATOM 79 NH1 ARG A 6 1.799 15.549 -3.101 1.00 44.41 N ATOM 80 NH2 ARG A 6 0.755 16.577 -1.335 1.00 53.44 N ATOM 0 H ARG A 6 -2.438 10.332 -1.403 1.00 52.01 H new ATOM 0 HA ARG A 6 -0.346 9.827 0.600 1.00 63.30 H new ATOM 0 HB2 ARG A 6 -0.395 12.621 0.122 1.00 64.44 H new ATOM 0 HB3 ARG A 6 0.939 11.513 -0.128 1.00 64.44 H new ATOM 0 HG2 ARG A 6 0.058 11.032 -2.431 1.00 21.02 H new ATOM 0 HG3 ARG A 6 -1.195 12.229 -2.172 1.00 21.02 H new ATOM 0 HD2 ARG A 6 1.807 12.732 -2.154 1.00 42.40 H new ATOM 0 HD3 ARG A 6 0.684 13.209 -3.412 1.00 42.40 H new ATOM 0 HE ARG A 6 -0.060 14.287 -0.806 1.00 4.22 H new ATOM 0 HH11 ARG A 6 2.011 14.705 -3.634 1.00 44.41 H new ATOM 0 HH12 ARG A 6 2.180 16.448 -3.396 1.00 44.41 H new ATOM 0 HH21 ARG A 6 0.162 16.525 -0.507 1.00 53.44 H new ATOM 0 HH22 ARG A 6 1.138 17.474 -1.633 1.00 53.44 H new ATOM 94 N ALA A 7 -1.938 10.629 2.302 1.00 2.34 N ATOM 95 CA ALA A 7 -2.886 11.047 3.328 1.00 24.20 C ATOM 96 C ALA A 7 -2.536 10.435 4.680 1.00 1.04 C ATOM 97 O ALA A 7 -2.007 9.326 4.752 1.00 34.41 O ATOM 98 CB ALA A 7 -4.302 10.665 2.924 1.00 11.24 C ATOM 0 H ALA A 7 -1.218 9.986 2.630 1.00 2.34 H new ATOM 0 HA ALA A 7 -2.827 12.131 3.423 1.00 24.20 H new ATOM 0 HB1 ALA A 7 -5.000 10.983 3.699 1.00 11.24 H new ATOM 0 HB2 ALA A 7 -4.557 11.154 1.984 1.00 11.24 H new ATOM 0 HB3 ALA A 7 -4.366 9.584 2.800 1.00 11.24 H new ATOM 104 N TRP A 8 -2.833 11.165 5.749 1.00 13.21 N ATOM 105 CA TRP A 8 -2.549 10.694 7.100 1.00 71.32 C ATOM 106 C TRP A 8 -3.115 9.295 7.318 1.00 30.14 C ATOM 107 O TRP A 8 -2.576 8.513 8.103 1.00 52.34 O ATOM 108 CB TRP A 8 -3.131 11.660 8.132 1.00 15.14 C ATOM 109 CG TRP A 8 -2.228 12.816 8.440 1.00 21.44 C ATOM 110 CD1 TRP A 8 -1.074 12.782 9.170 1.00 62.23 C ATOM 111 CD2 TRP A 8 -2.405 14.175 8.029 1.00 15.53 C ATOM 112 NE1 TRP A 8 -0.523 14.039 9.237 1.00 71.12 N ATOM 113 CE2 TRP A 8 -1.320 14.911 8.544 1.00 14.45 C ATOM 114 CE3 TRP A 8 -3.374 14.843 7.275 1.00 61.34 C ATOM 115 CZ2 TRP A 8 -1.180 16.280 8.329 1.00 33.20 C ATOM 116 CZ3 TRP A 8 -3.234 16.201 7.062 1.00 64.10 C ATOM 117 CH2 TRP A 8 -2.143 16.908 7.587 1.00 73.43 C ATOM 0 H TRP A 8 -3.270 12.085 5.707 1.00 13.21 H new ATOM 0 HA TRP A 8 -1.467 10.651 7.224 1.00 71.32 H new ATOM 0 HB2 TRP A 8 -4.084 12.041 7.765 1.00 15.14 H new ATOM 0 HB3 TRP A 8 -3.338 11.115 9.053 1.00 15.14 H new ATOM 0 HD1 TRP A 8 -0.656 11.897 9.627 1.00 62.23 H new ATOM 0 HE1 TRP A 8 0.339 14.283 9.724 1.00 71.12 H new ATOM 0 HE3 TRP A 8 -4.218 14.307 6.866 1.00 61.34 H new ATOM 0 HZ2 TRP A 8 -0.341 16.827 8.734 1.00 33.20 H new ATOM 0 HZ3 TRP A 8 -3.978 16.727 6.481 1.00 64.10 H new ATOM 0 HH2 TRP A 8 -2.061 17.969 7.402 1.00 73.43 H new ATOM 128 N ILE A 9 -4.203 8.986 6.621 1.00 61.20 N ATOM 129 CA ILE A 9 -4.840 7.680 6.739 1.00 41.11 C ATOM 130 C ILE A 9 -4.791 6.923 5.416 1.00 24.23 C ATOM 131 O ILE A 9 -4.112 7.337 4.476 1.00 24.21 O ATOM 132 CB ILE A 9 -6.307 7.808 7.190 1.00 41.11 C ATOM 133 CG1 ILE A 9 -6.541 9.163 7.861 1.00 43.23 C ATOM 134 CG2 ILE A 9 -6.671 6.673 8.135 1.00 14.12 C ATOM 135 CD1 ILE A 9 -5.751 9.349 9.138 1.00 54.53 C ATOM 0 H ILE A 9 -4.662 9.622 5.969 1.00 61.20 H new ATOM 0 HA ILE A 9 -4.283 7.124 7.494 1.00 41.11 H new ATOM 0 HB ILE A 9 -6.949 7.743 6.311 1.00 41.11 H new ATOM 0 HG12 ILE A 9 -6.277 9.956 7.161 1.00 43.23 H new ATOM 0 HG13 ILE A 9 -7.603 9.272 8.081 1.00 43.23 H new ATOM 0 HG21 ILE A 9 -7.711 6.777 8.445 1.00 14.12 H new ATOM 0 HG22 ILE A 9 -6.538 5.719 7.626 1.00 14.12 H new ATOM 0 HG23 ILE A 9 -6.025 6.709 9.012 1.00 14.12 H new ATOM 0 HD11 ILE A 9 -5.966 10.331 9.559 1.00 54.53 H new ATOM 0 HD12 ILE A 9 -6.032 8.578 9.855 1.00 54.53 H new ATOM 0 HD13 ILE A 9 -4.686 9.272 8.921 1.00 54.53 H new ATOM 147 N CYS A 10 -5.516 5.812 5.350 1.00 71.43 N ATOM 148 CA CYS A 10 -5.557 4.996 4.142 1.00 33.21 C ATOM 149 C CYS A 10 -6.987 4.566 3.824 1.00 3.43 C ATOM 150 O CYS A 10 -7.942 5.061 4.423 1.00 50.45 O ATOM 151 CB CYS A 10 -4.667 3.762 4.304 1.00 44.51 C ATOM 152 SG CYS A 10 -2.974 4.136 4.864 1.00 10.15 S ATOM 0 H CYS A 10 -6.084 5.456 6.119 1.00 71.43 H new ATOM 0 HA CYS A 10 -5.184 5.599 3.314 1.00 33.21 H new ATOM 0 HB2 CYS A 10 -5.133 3.082 5.018 1.00 44.51 H new ATOM 0 HB3 CYS A 10 -4.615 3.237 3.350 1.00 44.51 H new ATOM 157 N ARG A 11 -7.125 3.642 2.879 1.00 3.31 N ATOM 158 CA ARG A 11 -8.437 3.147 2.481 1.00 63.40 C ATOM 159 C ARG A 11 -9.227 2.664 3.694 1.00 24.10 C ATOM 160 O ARG A 11 -10.117 3.359 4.184 1.00 60.34 O ATOM 161 CB ARG A 11 -8.290 2.009 1.469 1.00 60.11 C ATOM 162 CG ARG A 11 -7.706 2.450 0.137 1.00 51.32 C ATOM 163 CD ARG A 11 -8.719 2.312 -0.989 1.00 13.12 C ATOM 164 NE ARG A 11 -9.531 3.516 -1.145 1.00 73.22 N ATOM 165 CZ ARG A 11 -10.314 3.743 -2.194 1.00 34.02 C ATOM 166 NH1 ARG A 11 -10.391 2.853 -3.173 1.00 72.42 N ATOM 167 NH2 ARG A 11 -11.023 4.863 -2.264 1.00 72.50 N ATOM 0 H ARG A 11 -6.344 3.221 2.375 1.00 3.31 H new ATOM 0 HA ARG A 11 -8.983 3.969 2.017 1.00 63.40 H new ATOM 0 HB2 ARG A 11 -7.654 1.234 1.896 1.00 60.11 H new ATOM 0 HB3 ARG A 11 -9.268 1.559 1.296 1.00 60.11 H new ATOM 0 HG2 ARG A 11 -7.378 3.487 0.208 1.00 51.32 H new ATOM 0 HG3 ARG A 11 -6.824 1.852 -0.091 1.00 51.32 H new ATOM 0 HD2 ARG A 11 -8.197 2.103 -1.923 1.00 13.12 H new ATOM 0 HD3 ARG A 11 -9.369 1.460 -0.790 1.00 13.12 H new ATOM 0 HE ARG A 11 -9.495 4.221 -0.409 1.00 73.22 H new ATOM 0 HH11 ARG A 11 -9.848 1.991 -3.122 1.00 72.42 H new ATOM 0 HH12 ARG A 11 -10.993 3.030 -3.977 1.00 72.42 H new ATOM 0 HH21 ARG A 11 -10.967 5.550 -1.512 1.00 72.50 H new ATOM 0 HH22 ARG A 11 -11.624 5.037 -3.070 1.00 72.50 H new ATOM 181 N TRP A 12 -8.895 1.470 4.173 1.00 44.44 N ATOM 182 CA TRP A 12 -9.573 0.895 5.328 1.00 75.30 C ATOM 183 C TRP A 12 -9.010 -0.483 5.660 1.00 52.23 C ATOM 184 O TRP A 12 -8.978 -1.372 4.810 1.00 53.20 O ATOM 185 CB TRP A 12 -11.077 0.795 5.064 1.00 22.45 C ATOM 186 CG TRP A 12 -11.886 1.770 5.865 1.00 73.24 C ATOM 187 CD1 TRP A 12 -11.760 2.041 7.197 1.00 33.42 C ATOM 188 CD2 TRP A 12 -12.948 2.601 5.383 1.00 45.33 C ATOM 189 NE1 TRP A 12 -12.679 2.991 7.573 1.00 73.42 N ATOM 190 CE2 TRP A 12 -13.419 3.351 6.478 1.00 50.51 C ATOM 191 CE3 TRP A 12 -13.544 2.787 4.133 1.00 61.13 C ATOM 192 CZ2 TRP A 12 -14.459 4.270 6.358 1.00 22.34 C ATOM 193 CZ3 TRP A 12 -14.576 3.698 4.016 1.00 41.42 C ATOM 194 CH2 TRP A 12 -15.024 4.431 5.123 1.00 54.12 C ATOM 0 H TRP A 12 -8.161 0.882 3.779 1.00 44.44 H new ATOM 0 HA TRP A 12 -9.403 1.551 6.182 1.00 75.30 H new ATOM 0 HB2 TRP A 12 -11.265 0.963 4.003 1.00 22.45 H new ATOM 0 HB3 TRP A 12 -11.412 -0.217 5.291 1.00 22.45 H new ATOM 0 HD1 TRP A 12 -11.043 1.577 7.858 1.00 33.42 H new ATOM 0 HE1 TRP A 12 -12.792 3.367 8.514 1.00 73.42 H new ATOM 0 HE3 TRP A 12 -13.204 2.228 3.273 1.00 61.13 H new ATOM 0 HZ2 TRP A 12 -14.807 4.835 7.210 1.00 22.34 H new ATOM 0 HZ3 TRP A 12 -15.045 3.848 3.055 1.00 41.42 H new ATOM 0 HH2 TRP A 12 -15.832 5.137 4.998 1.00 54.12 H new ATOM 205 N GLY A 13 -8.567 -0.653 6.902 1.00 44.14 N ATOM 206 CA GLY A 13 -8.011 -1.926 7.323 1.00 44.51 C ATOM 207 C GLY A 13 -6.944 -2.435 6.374 1.00 40.21 C ATOM 208 O GLY A 13 -6.835 -3.638 6.142 1.00 25.31 O ATOM 0 H GLY A 13 -8.583 0.068 7.624 1.00 44.14 H new ATOM 0 HA2 GLY A 13 -7.585 -1.821 8.321 1.00 44.51 H new ATOM 0 HA3 GLY A 13 -8.811 -2.663 7.394 1.00 44.51 H new ATOM 212 N GLU A 14 -6.157 -1.516 5.823 1.00 61.24 N ATOM 213 CA GLU A 14 -5.096 -1.880 4.891 1.00 5.03 C ATOM 214 C GLU A 14 -3.764 -2.042 5.620 1.00 54.33 C ATOM 215 O GLU A 14 -3.680 -1.842 6.831 1.00 4.25 O ATOM 216 CB GLU A 14 -4.964 -0.821 3.794 1.00 20.34 C ATOM 217 CG GLU A 14 -5.043 0.605 4.312 1.00 33.15 C ATOM 218 CD GLU A 14 -4.017 0.892 5.392 1.00 74.43 C ATOM 219 OE1 GLU A 14 -2.829 0.573 5.181 1.00 62.21 O ATOM 220 OE2 GLU A 14 -4.404 1.435 6.448 1.00 52.35 O ATOM 0 H GLU A 14 -6.234 -0.515 6.006 1.00 61.24 H new ATOM 0 HA GLU A 14 -5.360 -2.834 4.435 1.00 5.03 H new ATOM 0 HB2 GLU A 14 -4.013 -0.960 3.280 1.00 20.34 H new ATOM 0 HB3 GLU A 14 -5.751 -0.975 3.056 1.00 20.34 H new ATOM 0 HG2 GLU A 14 -4.896 1.297 3.483 1.00 33.15 H new ATOM 0 HG3 GLU A 14 -6.042 0.789 4.707 1.00 33.15 H new ATOM 227 N ARG A 15 -2.728 -2.405 4.872 1.00 63.33 N ATOM 228 CA ARG A 15 -1.401 -2.596 5.446 1.00 51.14 C ATOM 229 C ARG A 15 -0.419 -1.565 4.898 1.00 65.15 C ATOM 230 O ARG A 15 -0.794 -0.684 4.124 1.00 52.31 O ATOM 231 CB ARG A 15 -0.893 -4.008 5.151 1.00 64.25 C ATOM 232 CG ARG A 15 -1.119 -4.449 3.714 1.00 63.23 C ATOM 233 CD ARG A 15 0.045 -5.281 3.196 1.00 13.44 C ATOM 234 NE ARG A 15 0.232 -6.503 3.973 1.00 33.21 N ATOM 235 CZ ARG A 15 0.901 -7.561 3.529 1.00 60.04 C ATOM 236 NH1 ARG A 15 1.444 -7.546 2.319 1.00 5.34 N ATOM 237 NH2 ARG A 15 1.028 -8.637 4.295 1.00 62.04 N ATOM 0 H ARG A 15 -2.781 -2.573 3.867 1.00 63.33 H new ATOM 0 HA ARG A 15 -1.476 -2.463 6.525 1.00 51.14 H new ATOM 0 HB2 ARG A 15 0.173 -4.055 5.373 1.00 64.25 H new ATOM 0 HB3 ARG A 15 -1.389 -4.711 5.820 1.00 64.25 H new ATOM 0 HG2 ARG A 15 -2.039 -5.030 3.651 1.00 63.23 H new ATOM 0 HG3 ARG A 15 -1.252 -3.572 3.080 1.00 63.23 H new ATOM 0 HD2 ARG A 15 -0.130 -5.539 2.151 1.00 13.44 H new ATOM 0 HD3 ARG A 15 0.958 -4.687 3.229 1.00 13.44 H new ATOM 0 HE ARG A 15 -0.173 -6.547 4.908 1.00 33.21 H new ATOM 0 HH11 ARG A 15 1.348 -6.721 1.727 1.00 5.34 H new ATOM 0 HH12 ARG A 15 1.957 -8.360 1.980 1.00 5.34 H new ATOM 0 HH21 ARG A 15 0.612 -8.652 5.226 1.00 62.04 H new ATOM 0 HH22 ARG A 15 1.542 -9.449 3.953 1.00 62.04 H new ATOM 251 N HIS A 16 0.842 -1.682 5.304 1.00 13.42 N ATOM 252 CA HIS A 16 1.879 -0.760 4.854 1.00 54.01 C ATOM 253 C HIS A 16 2.882 -1.471 3.951 1.00 43.41 C ATOM 254 O HIS A 16 3.160 -2.657 4.128 1.00 54.25 O ATOM 255 CB HIS A 16 2.600 -0.145 6.054 1.00 62.45 C ATOM 256 CG HIS A 16 3.848 0.597 5.686 1.00 52.40 C ATOM 257 ND1 HIS A 16 5.089 0.286 6.201 1.00 75.34 N ATOM 258 CD2 HIS A 16 4.041 1.642 4.848 1.00 45.34 C ATOM 259 CE1 HIS A 16 5.991 1.108 5.696 1.00 21.11 C ATOM 260 NE2 HIS A 16 5.382 1.941 4.872 1.00 73.33 N ATOM 0 H HIS A 16 1.170 -2.406 5.943 1.00 13.42 H new ATOM 0 HA HIS A 16 1.401 0.035 4.281 1.00 54.01 H new ATOM 0 HB2 HIS A 16 1.920 0.536 6.566 1.00 62.45 H new ATOM 0 HB3 HIS A 16 2.852 -0.936 6.761 1.00 62.45 H new ATOM 0 HD2 HIS A 16 3.282 2.147 4.268 1.00 45.34 H new ATOM 0 HE1 HIS A 16 7.048 1.100 5.919 1.00 21.11 H new ATOM 0 HE2 HIS A 16 5.833 2.685 4.340 1.00 73.33 H new ATOM 268 N SER A 17 3.423 -0.737 2.983 1.00 72.42 N ATOM 269 CA SER A 17 4.392 -1.299 2.049 1.00 1.12 C ATOM 270 C SER A 17 5.132 -0.192 1.303 1.00 33.42 C ATOM 271 O SER A 17 4.792 0.141 0.169 1.00 52.50 O ATOM 272 CB SER A 17 3.694 -2.224 1.051 1.00 74.02 C ATOM 273 OG SER A 17 3.811 -3.580 1.444 1.00 35.33 O ATOM 0 H SER A 17 3.207 0.247 2.825 1.00 72.42 H new ATOM 0 HA SER A 17 5.118 -1.877 2.621 1.00 1.12 H new ATOM 0 HB2 SER A 17 2.641 -1.954 0.975 1.00 74.02 H new ATOM 0 HB3 SER A 17 4.129 -2.090 0.061 1.00 74.02 H new ATOM 0 HG SER A 17 3.638 -3.658 2.405 1.00 35.33 H new ATOM 279 N GLY A 18 6.146 0.373 1.950 1.00 4.11 N ATOM 280 CA GLY A 18 6.919 1.436 1.334 1.00 52.00 C ATOM 281 C GLY A 18 6.047 2.570 0.831 1.00 21.42 C ATOM 282 O GLY A 18 4.860 2.639 1.151 1.00 2.50 O ATOM 0 H GLY A 18 6.446 0.114 2.890 1.00 4.11 H new ATOM 0 HA2 GLY A 18 7.636 1.826 2.057 1.00 52.00 H new ATOM 0 HA3 GLY A 18 7.494 1.028 0.503 1.00 52.00 H new ATOM 286 N LYS A 19 6.636 3.462 0.043 1.00 64.04 N ATOM 287 CA LYS A 19 5.907 4.599 -0.506 1.00 12.01 C ATOM 288 C LYS A 19 6.092 4.686 -2.017 1.00 51.44 C ATOM 289 O LYS A 19 7.023 4.104 -2.574 1.00 5.22 O ATOM 290 CB LYS A 19 6.377 5.898 0.152 1.00 11.31 C ATOM 291 CG LYS A 19 7.832 6.231 -0.130 1.00 12.03 C ATOM 292 CD LYS A 19 7.969 7.553 -0.867 1.00 31.42 C ATOM 293 CE LYS A 19 9.174 8.341 -0.378 1.00 65.12 C ATOM 294 NZ LYS A 19 9.707 9.250 -1.431 1.00 71.50 N ATOM 0 H LYS A 19 7.618 3.420 -0.230 1.00 64.04 H new ATOM 0 HA LYS A 19 4.847 4.455 -0.296 1.00 12.01 H new ATOM 0 HB2 LYS A 19 5.751 6.719 -0.197 1.00 11.31 H new ATOM 0 HB3 LYS A 19 6.233 5.822 1.230 1.00 11.31 H new ATOM 0 HG2 LYS A 19 8.384 6.278 0.809 1.00 12.03 H new ATOM 0 HG3 LYS A 19 8.280 5.434 -0.724 1.00 12.03 H new ATOM 0 HD2 LYS A 19 8.065 7.366 -1.937 1.00 31.42 H new ATOM 0 HD3 LYS A 19 7.064 8.145 -0.726 1.00 31.42 H new ATOM 0 HE2 LYS A 19 8.894 8.925 0.499 1.00 65.12 H new ATOM 0 HE3 LYS A 19 9.957 7.650 -0.064 1.00 65.12 H new ATOM 0 HZ1 LYS A 19 10.528 9.769 -1.059 1.00 71.50 H new ATOM 0 HZ2 LYS A 19 9.998 8.690 -2.258 1.00 71.50 H new ATOM 0 HZ3 LYS A 19 8.968 9.926 -1.713 1.00 71.50 H new ATOM 308 N CYS A 20 5.200 5.418 -2.677 1.00 0.22 N ATOM 309 CA CYS A 20 5.265 5.583 -4.124 1.00 1.22 C ATOM 310 C CYS A 20 6.413 6.509 -4.515 1.00 3.34 C ATOM 311 O CYS A 20 6.710 7.477 -3.813 1.00 21.30 O ATOM 312 CB CYS A 20 3.943 6.140 -4.655 1.00 12.34 C ATOM 313 SG CYS A 20 3.001 4.968 -5.683 1.00 21.44 S ATOM 0 H CYS A 20 4.423 5.907 -2.232 1.00 0.22 H new ATOM 0 HA CYS A 20 5.444 4.604 -4.568 1.00 1.22 H new ATOM 0 HB2 CYS A 20 3.324 6.445 -3.811 1.00 12.34 H new ATOM 0 HB3 CYS A 20 4.148 7.037 -5.240 1.00 12.34 H new ATOM 318 N ILE A 21 7.054 6.206 -5.638 1.00 65.21 N ATOM 319 CA ILE A 21 8.168 7.011 -6.123 1.00 5.32 C ATOM 320 C ILE A 21 7.688 8.370 -6.622 1.00 24.04 C ATOM 321 O ILE A 21 8.455 9.332 -6.669 1.00 24.12 O ATOM 322 CB ILE A 21 8.926 6.299 -7.258 1.00 64.44 C ATOM 323 CG1 ILE A 21 10.199 7.070 -7.614 1.00 61.20 C ATOM 324 CG2 ILE A 21 8.032 6.150 -8.480 1.00 60.40 C ATOM 325 CD1 ILE A 21 11.224 6.237 -8.352 1.00 11.10 C ATOM 0 H ILE A 21 6.821 5.408 -6.230 1.00 65.21 H new ATOM 0 HA ILE A 21 8.844 7.154 -5.280 1.00 5.32 H new ATOM 0 HB ILE A 21 9.210 5.304 -6.916 1.00 64.44 H new ATOM 0 HG12 ILE A 21 9.933 7.931 -8.227 1.00 61.20 H new ATOM 0 HG13 ILE A 21 10.648 7.457 -6.699 1.00 61.20 H new ATOM 0 HG21 ILE A 21 8.582 5.645 -9.274 1.00 60.40 H new ATOM 0 HG22 ILE A 21 7.152 5.563 -8.218 1.00 60.40 H new ATOM 0 HG23 ILE A 21 7.720 7.136 -8.825 1.00 60.40 H new ATOM 0 HD11 ILE A 21 12.099 6.848 -8.572 1.00 11.10 H new ATOM 0 HD12 ILE A 21 11.519 5.390 -7.732 1.00 11.10 H new ATOM 0 HD13 ILE A 21 10.793 5.872 -9.284 1.00 11.10 H new ATOM 337 N ASP A 22 6.414 8.442 -6.991 1.00 64.21 N ATOM 338 CA ASP A 22 5.830 9.684 -7.484 1.00 21.22 C ATOM 339 C ASP A 22 5.277 10.518 -6.333 1.00 3.43 C ATOM 340 O ASP A 22 5.518 10.216 -5.164 1.00 55.42 O ATOM 341 CB ASP A 22 4.720 9.385 -8.493 1.00 0.13 C ATOM 342 CG ASP A 22 4.853 10.207 -9.760 1.00 30.41 C ATOM 343 OD1 ASP A 22 5.642 9.811 -10.643 1.00 75.42 O ATOM 344 OD2 ASP A 22 4.169 11.246 -9.868 1.00 0.21 O ATOM 0 H ASP A 22 5.766 7.655 -6.958 1.00 64.21 H new ATOM 0 HA ASP A 22 6.616 10.255 -7.979 1.00 21.22 H new ATOM 0 HB2 ASP A 22 4.740 8.325 -8.747 1.00 0.13 H new ATOM 0 HB3 ASP A 22 3.752 9.585 -8.034 1.00 0.13 H new ATOM 349 N GLN A 23 4.537 11.569 -6.672 1.00 44.03 N ATOM 350 CA GLN A 23 3.952 12.448 -5.667 1.00 24.14 C ATOM 351 C GLN A 23 5.006 12.904 -4.663 1.00 23.32 C ATOM 352 O GLN A 23 6.203 12.700 -4.867 1.00 22.31 O ATOM 353 CB GLN A 23 2.811 11.736 -4.938 1.00 63.21 C ATOM 354 CG GLN A 23 1.894 10.952 -5.863 1.00 43.22 C ATOM 355 CD GLN A 23 0.776 10.250 -5.119 1.00 12.13 C ATOM 356 OE1 GLN A 23 -0.403 10.526 -5.343 1.00 33.24 O ATOM 357 NE2 GLN A 23 1.140 9.336 -4.227 1.00 2.31 N ATOM 0 H GLN A 23 4.329 11.832 -7.635 1.00 44.03 H new ATOM 0 HA GLN A 23 3.556 13.327 -6.176 1.00 24.14 H new ATOM 0 HB2 GLN A 23 3.232 11.057 -4.197 1.00 63.21 H new ATOM 0 HB3 GLN A 23 2.221 12.474 -4.395 1.00 63.21 H new ATOM 0 HG2 GLN A 23 1.465 11.629 -6.602 1.00 43.22 H new ATOM 0 HG3 GLN A 23 2.481 10.214 -6.410 1.00 43.22 H new ATOM 0 HE21 GLN A 23 2.129 9.139 -4.073 1.00 2.31 H new ATOM 0 HE22 GLN A 23 0.431 8.831 -3.696 1.00 2.31 H new ATOM 366 N LYS A 24 4.554 13.522 -3.577 1.00 52.44 N ATOM 367 CA LYS A 24 5.457 14.007 -2.540 1.00 54.11 C ATOM 368 C LYS A 24 4.931 13.653 -1.153 1.00 23.24 C ATOM 369 O LYS A 24 5.438 12.741 -0.500 1.00 45.34 O ATOM 370 CB LYS A 24 5.635 15.522 -2.658 1.00 2.51 C ATOM 371 CG LYS A 24 6.403 15.950 -3.897 1.00 21.03 C ATOM 372 CD LYS A 24 6.008 17.348 -4.343 1.00 73.41 C ATOM 373 CE LYS A 24 7.020 18.386 -3.885 1.00 42.23 C ATOM 374 NZ LYS A 24 6.653 19.756 -4.338 1.00 54.41 N ATOM 0 H LYS A 24 3.567 13.699 -3.392 1.00 52.44 H new ATOM 0 HA LYS A 24 6.423 13.522 -2.678 1.00 54.11 H new ATOM 0 HB2 LYS A 24 4.653 15.995 -2.668 1.00 2.51 H new ATOM 0 HB3 LYS A 24 6.156 15.888 -1.773 1.00 2.51 H new ATOM 0 HG2 LYS A 24 7.473 15.922 -3.691 1.00 21.03 H new ATOM 0 HG3 LYS A 24 6.215 15.243 -4.705 1.00 21.03 H new ATOM 0 HD2 LYS A 24 5.925 17.374 -5.429 1.00 73.41 H new ATOM 0 HD3 LYS A 24 5.025 17.595 -3.942 1.00 73.41 H new ATOM 0 HE2 LYS A 24 7.090 18.370 -2.797 1.00 42.23 H new ATOM 0 HE3 LYS A 24 8.006 18.128 -4.272 1.00 42.23 H new ATOM 0 HZ1 LYS A 24 7.368 20.435 -4.006 1.00 54.41 H new ATOM 0 HZ2 LYS A 24 6.611 19.778 -5.377 1.00 54.41 H new ATOM 0 HZ3 LYS A 24 5.724 20.013 -3.948 1.00 54.41 H new ATOM 388 N GLY A 25 3.910 14.379 -0.708 1.00 3.32 N ATOM 389 CA GLY A 25 3.333 14.125 0.599 1.00 13.11 C ATOM 390 C GLY A 25 4.327 14.337 1.724 1.00 52.45 C ATOM 391 O GLY A 25 5.533 14.405 1.490 1.00 45.01 O ATOM 0 H GLY A 25 3.472 15.139 -1.229 1.00 3.32 H new ATOM 0 HA2 GLY A 25 2.476 14.781 0.748 1.00 13.11 H new ATOM 0 HA3 GLY A 25 2.961 13.101 0.635 1.00 13.11 H new ATOM 395 N SER A 26 3.819 14.445 2.947 1.00 25.54 N ATOM 396 CA SER A 26 4.671 14.656 4.112 1.00 1.21 C ATOM 397 C SER A 26 4.738 13.398 4.972 1.00 62.21 C ATOM 398 O SER A 26 3.822 13.107 5.742 1.00 2.53 O ATOM 399 CB SER A 26 4.150 15.829 4.945 1.00 42.34 C ATOM 400 OG SER A 26 4.920 16.000 6.122 1.00 12.41 O ATOM 0 H SER A 26 2.822 14.390 3.157 1.00 25.54 H new ATOM 0 HA SER A 26 5.676 14.887 3.759 1.00 1.21 H new ATOM 0 HB2 SER A 26 4.180 16.743 4.351 1.00 42.34 H new ATOM 0 HB3 SER A 26 3.107 15.656 5.211 1.00 42.34 H new ATOM 0 HG SER A 26 4.568 16.756 6.636 1.00 12.41 H new ATOM 406 N THR A 27 5.830 12.652 4.835 1.00 45.42 N ATOM 407 CA THR A 27 6.018 11.424 5.597 1.00 45.41 C ATOM 408 C THR A 27 4.924 10.410 5.284 1.00 2.20 C ATOM 409 O THR A 27 4.700 9.469 6.046 1.00 42.31 O ATOM 410 CB THR A 27 6.029 11.700 7.112 1.00 23.23 C ATOM 411 OG1 THR A 27 6.293 13.086 7.356 1.00 32.05 O ATOM 412 CG2 THR A 27 7.080 10.848 7.810 1.00 55.34 C ATOM 0 H THR A 27 6.598 12.877 4.203 1.00 45.42 H new ATOM 0 HA THR A 27 6.984 11.014 5.303 1.00 45.41 H new ATOM 0 HB THR A 27 5.049 11.441 7.513 1.00 23.23 H new ATOM 0 HG1 THR A 27 6.297 13.253 8.322 1.00 32.05 H new ATOM 0 HG21 THR A 27 7.069 11.060 8.879 1.00 55.34 H new ATOM 0 HG22 THR A 27 6.860 9.793 7.647 1.00 55.34 H new ATOM 0 HG23 THR A 27 8.065 11.080 7.404 1.00 55.34 H new ATOM 420 N TYR A 28 4.246 10.607 4.159 1.00 10.00 N ATOM 421 CA TYR A 28 3.173 9.710 3.746 1.00 23.24 C ATOM 422 C TYR A 28 3.712 8.310 3.465 1.00 54.31 C ATOM 423 O TYR A 28 4.893 8.136 3.166 1.00 40.13 O ATOM 424 CB TYR A 28 2.472 10.258 2.503 1.00 55.03 C ATOM 425 CG TYR A 28 3.208 9.967 1.214 1.00 14.24 C ATOM 426 CD1 TYR A 28 4.582 10.145 1.121 1.00 23.22 C ATOM 427 CD2 TYR A 28 2.528 9.514 0.090 1.00 31.24 C ATOM 428 CE1 TYR A 28 5.259 9.881 -0.054 1.00 55.02 C ATOM 429 CE2 TYR A 28 3.196 9.246 -1.089 1.00 2.03 C ATOM 430 CZ TYR A 28 4.561 9.432 -1.156 1.00 62.31 C ATOM 431 OH TYR A 28 5.231 9.166 -2.328 1.00 44.54 O ATOM 0 H TYR A 28 4.420 11.380 3.517 1.00 10.00 H new ATOM 0 HA TYR A 28 2.453 9.646 4.562 1.00 23.24 H new ATOM 0 HB2 TYR A 28 1.470 9.832 2.444 1.00 55.03 H new ATOM 0 HB3 TYR A 28 2.354 11.336 2.609 1.00 55.03 H new ATOM 0 HD1 TYR A 28 5.131 10.496 1.982 1.00 23.22 H new ATOM 0 HD2 TYR A 28 1.459 9.369 0.139 1.00 31.24 H new ATOM 0 HE1 TYR A 28 6.328 10.025 -0.109 1.00 55.02 H new ATOM 0 HE2 TYR A 28 2.653 8.893 -1.953 1.00 2.03 H new ATOM 0 HH TYR A 28 5.573 8.248 -2.308 1.00 44.54 H new ATOM 441 N ARG A 29 2.835 7.316 3.563 1.00 65.24 N ATOM 442 CA ARG A 29 3.221 5.931 3.319 1.00 3.03 C ATOM 443 C ARG A 29 2.113 5.178 2.589 1.00 0.12 C ATOM 444 O ARG A 29 0.967 5.146 3.041 1.00 45.32 O ATOM 445 CB ARG A 29 3.544 5.230 4.640 1.00 64.20 C ATOM 446 CG ARG A 29 2.480 5.422 5.708 1.00 42.10 C ATOM 447 CD ARG A 29 2.778 6.632 6.580 1.00 61.21 C ATOM 448 NE ARG A 29 1.567 7.189 7.176 1.00 74.24 N ATOM 449 CZ ARG A 29 0.919 6.624 8.188 1.00 34.51 C ATOM 450 NH1 ARG A 29 1.364 5.491 8.715 1.00 1.52 N ATOM 451 NH2 ARG A 29 -0.177 7.191 8.676 1.00 52.12 N ATOM 0 H ARG A 29 1.853 7.444 3.809 1.00 65.24 H new ATOM 0 HA ARG A 29 4.111 5.933 2.689 1.00 3.03 H new ATOM 0 HB2 ARG A 29 3.671 4.164 4.454 1.00 64.20 H new ATOM 0 HB3 ARG A 29 4.496 5.604 5.017 1.00 64.20 H new ATOM 0 HG2 ARG A 29 1.506 5.544 5.235 1.00 42.10 H new ATOM 0 HG3 ARG A 29 2.422 4.529 6.330 1.00 42.10 H new ATOM 0 HD2 ARG A 29 3.473 6.347 7.370 1.00 61.21 H new ATOM 0 HD3 ARG A 29 3.272 7.397 5.981 1.00 61.21 H new ATOM 0 HE ARG A 29 1.199 8.060 6.794 1.00 74.24 H new ATOM 0 HH11 ARG A 29 2.206 5.052 8.343 1.00 1.52 H new ATOM 0 HH12 ARG A 29 0.864 5.059 9.492 1.00 1.52 H new ATOM 0 HH21 ARG A 29 -0.523 8.062 8.274 1.00 52.12 H new ATOM 0 HH22 ARG A 29 -0.674 6.756 9.453 1.00 52.12 H new ATOM 465 N LEU A 30 2.461 4.574 1.459 1.00 62.15 N ATOM 466 CA LEU A 30 1.496 3.821 0.665 1.00 41.13 C ATOM 467 C LEU A 30 0.731 2.829 1.535 1.00 65.42 C ATOM 468 O LEU A 30 1.145 2.520 2.653 1.00 72.32 O ATOM 469 CB LEU A 30 2.206 3.081 -0.470 1.00 23.42 C ATOM 470 CG LEU A 30 1.782 3.461 -1.889 1.00 31.13 C ATOM 471 CD1 LEU A 30 0.388 2.932 -2.189 1.00 10.22 C ATOM 472 CD2 LEU A 30 1.833 4.970 -2.074 1.00 41.51 C ATOM 0 H LEU A 30 3.404 4.591 1.071 1.00 62.15 H new ATOM 0 HA LEU A 30 0.783 4.527 0.239 1.00 41.13 H new ATOM 0 HB2 LEU A 30 3.278 3.254 -0.374 1.00 23.42 H new ATOM 0 HB3 LEU A 30 2.042 2.012 -0.338 1.00 23.42 H new ATOM 0 HG LEU A 30 2.480 3.005 -2.591 1.00 31.13 H new ATOM 0 HD11 LEU A 30 0.103 3.212 -3.203 1.00 10.22 H new ATOM 0 HD12 LEU A 30 0.384 1.846 -2.098 1.00 10.22 H new ATOM 0 HD13 LEU A 30 -0.323 3.358 -1.481 1.00 10.22 H new ATOM 0 HD21 LEU A 30 1.528 5.223 -3.090 1.00 41.51 H new ATOM 0 HD22 LEU A 30 1.158 5.447 -1.363 1.00 41.51 H new ATOM 0 HD23 LEU A 30 2.850 5.324 -1.902 1.00 41.51 H new ATOM 484 N CYS A 31 -0.385 2.330 1.014 1.00 43.43 N ATOM 485 CA CYS A 31 -1.207 1.371 1.741 1.00 11.20 C ATOM 486 C CYS A 31 -1.868 0.385 0.783 1.00 71.52 C ATOM 487 O CYS A 31 -2.482 0.781 -0.208 1.00 62.15 O ATOM 488 CB CYS A 31 -2.276 2.100 2.558 1.00 51.15 C ATOM 489 SG CYS A 31 -1.610 3.121 3.911 1.00 12.31 S ATOM 0 H CYS A 31 -0.741 2.575 0.090 1.00 43.43 H new ATOM 0 HA CYS A 31 -0.559 0.814 2.418 1.00 11.20 H new ATOM 0 HB2 CYS A 31 -2.858 2.735 1.890 1.00 51.15 H new ATOM 0 HB3 CYS A 31 -2.963 1.364 2.977 1.00 51.15 H new ATOM 494 N CYS A 32 -1.739 -0.903 1.086 1.00 45.23 N ATOM 495 CA CYS A 32 -2.322 -1.947 0.253 1.00 71.42 C ATOM 496 C CYS A 32 -3.464 -2.650 0.982 1.00 50.33 C ATOM 497 O CYS A 32 -3.405 -2.859 2.194 1.00 52.45 O ATOM 498 CB CYS A 32 -1.254 -2.967 -0.146 1.00 64.03 C ATOM 499 SG CYS A 32 -1.878 -4.335 -1.174 1.00 74.11 S ATOM 0 H CYS A 32 -1.235 -1.248 1.903 1.00 45.23 H new ATOM 0 HA CYS A 32 -2.721 -1.478 -0.646 1.00 71.42 H new ATOM 0 HB2 CYS A 32 -0.460 -2.453 -0.688 1.00 64.03 H new ATOM 0 HB3 CYS A 32 -0.807 -3.381 0.758 1.00 64.03 H new ATOM 504 N ARG A 33 -4.502 -3.012 0.234 1.00 3.24 N ATOM 505 CA ARG A 33 -5.657 -3.690 0.809 1.00 55.41 C ATOM 506 C ARG A 33 -5.727 -5.139 0.338 1.00 71.40 C ATOM 507 O ARG A 33 -6.189 -5.422 -0.768 1.00 13.34 O ATOM 508 CB ARG A 33 -6.946 -2.957 0.430 1.00 3.31 C ATOM 509 CG ARG A 33 -8.176 -3.472 1.158 1.00 34.21 C ATOM 510 CD ARG A 33 -9.400 -3.467 0.256 1.00 73.44 C ATOM 511 NE ARG A 33 -10.572 -4.032 0.920 1.00 52.42 N ATOM 512 CZ ARG A 33 -11.731 -4.247 0.308 1.00 54.43 C ATOM 513 NH1 ARG A 33 -11.873 -3.946 -0.976 1.00 23.40 N ATOM 514 NH2 ARG A 33 -12.752 -4.763 0.980 1.00 71.42 N ATOM 0 H ARG A 33 -4.566 -2.847 -0.771 1.00 3.24 H new ATOM 0 HA ARG A 33 -5.548 -3.683 1.894 1.00 55.41 H new ATOM 0 HB2 ARG A 33 -6.826 -1.895 0.643 1.00 3.31 H new ATOM 0 HB3 ARG A 33 -7.105 -3.050 -0.644 1.00 3.31 H new ATOM 0 HG2 ARG A 33 -7.991 -4.485 1.516 1.00 34.21 H new ATOM 0 HG3 ARG A 33 -8.367 -2.854 2.035 1.00 34.21 H new ATOM 0 HD2 ARG A 33 -9.617 -2.445 -0.055 1.00 73.44 H new ATOM 0 HD3 ARG A 33 -9.186 -4.037 -0.648 1.00 73.44 H new ATOM 0 HE ARG A 33 -10.496 -4.275 1.908 1.00 52.42 H new ATOM 0 HH11 ARG A 33 -11.091 -3.548 -1.496 1.00 23.40 H new ATOM 0 HH12 ARG A 33 -12.764 -4.112 -1.443 1.00 23.40 H new ATOM 0 HH21 ARG A 33 -12.647 -4.995 1.968 1.00 71.42 H new ATOM 0 HH22 ARG A 33 -13.642 -4.928 0.509 1.00 71.42 H new ATOM 528 N ARG A 34 -5.265 -6.054 1.184 1.00 5.11 N ATOM 529 CA ARG A 34 -5.273 -7.474 0.854 1.00 43.11 C ATOM 530 C ARG A 34 -6.697 -8.022 0.847 1.00 64.22 C ATOM 531 O ARG A 34 -6.919 -9.195 0.545 1.00 0.11 O ATOM 532 CB ARG A 34 -4.418 -8.256 1.853 1.00 74.51 C ATOM 533 CG ARG A 34 -4.888 -8.123 3.292 1.00 12.32 C ATOM 534 CD ARG A 34 -4.721 -9.427 4.056 1.00 1.23 C ATOM 535 NE ARG A 34 -5.888 -10.294 3.921 1.00 13.14 N ATOM 536 CZ ARG A 34 -7.052 -10.058 4.517 1.00 41.30 C ATOM 537 NH1 ARG A 34 -7.203 -8.987 5.284 1.00 44.42 N ATOM 538 NH2 ARG A 34 -8.068 -10.894 4.346 1.00 51.44 N ATOM 0 H ARG A 34 -4.880 -5.837 2.103 1.00 5.11 H new ATOM 0 HA ARG A 34 -4.852 -7.592 -0.144 1.00 43.11 H new ATOM 0 HB2 ARG A 34 -4.421 -9.310 1.575 1.00 74.51 H new ATOM 0 HB3 ARG A 34 -3.386 -7.911 1.783 1.00 74.51 H new ATOM 0 HG2 ARG A 34 -4.323 -7.334 3.789 1.00 12.32 H new ATOM 0 HG3 ARG A 34 -5.936 -7.823 3.307 1.00 12.32 H new ATOM 0 HD2 ARG A 34 -3.837 -9.950 3.691 1.00 1.23 H new ATOM 0 HD3 ARG A 34 -4.551 -9.210 5.111 1.00 1.23 H new ATOM 0 HE ARG A 34 -5.805 -11.126 3.337 1.00 13.14 H new ATOM 0 HH11 ARG A 34 -6.425 -8.342 5.418 1.00 44.42 H new ATOM 0 HH12 ARG A 34 -8.098 -8.808 5.740 1.00 44.42 H new ATOM 0 HH21 ARG A 34 -7.956 -11.719 3.757 1.00 51.44 H new ATOM 0 HH22 ARG A 34 -8.961 -10.712 4.804 1.00 51.44 H new TER 552 ARG A 34