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 -150:sc= -0.178 USER MOD Single : A 1 SER N :NH3+ -109:sc= -0.932 (180deg=-4.08!) USER MOD Single : A 1 SER OG : rot 53:sc= 0.0898 USER MOD Single : A 3 THR OG1 : rot 138:sc= -0.515 USER MOD Single : A 16 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-4.9!) USER MOD Single : A 17 SER OG : rot 38:sc= 1.24 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.00305 K(o=0.0031,f=-0.66) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -158:sc= 1.42 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.762 -2.162 -0.778 1.00 22.50 N ATOM 2 CA SER A 1 1.759 -1.056 -1.727 1.00 44.52 C ATOM 3 C SER A 1 0.845 -1.357 -2.911 1.00 12.04 C ATOM 4 O SER A 1 1.273 -1.934 -3.910 1.00 44.05 O ATOM 5 CB SER A 1 3.180 -0.778 -2.224 1.00 33.05 C ATOM 6 OG SER A 1 3.852 -1.983 -2.547 1.00 34.12 O ATOM 0 H1 SER A 1 1.255 -1.880 0.085 1.00 22.50 H new ATOM 0 H2 SER A 1 1.290 -2.986 -1.203 1.00 22.50 H new ATOM 0 H3 SER A 1 2.743 -2.411 -0.538 1.00 22.50 H new ATOM 0 HA SER A 1 1.381 -0.172 -1.214 1.00 44.52 H new ATOM 0 HB2 SER A 1 3.142 -0.133 -3.102 1.00 33.05 H new ATOM 0 HB3 SER A 1 3.738 -0.241 -1.457 1.00 33.05 H new ATOM 0 HG SER A 1 3.301 -2.510 -3.162 1.00 34.12 H new ATOM 12 N CYS A 2 -0.418 -0.962 -2.790 1.00 32.34 N ATOM 13 CA CYS A 2 -1.396 -1.189 -3.847 1.00 65.42 C ATOM 14 C CYS A 2 -2.331 0.008 -3.990 1.00 31.24 C ATOM 15 O CYS A 2 -3.401 -0.094 -4.591 1.00 12.44 O ATOM 16 CB CYS A 2 -2.207 -2.453 -3.557 1.00 74.43 C ATOM 17 SG CYS A 2 -1.206 -3.869 -2.998 1.00 43.45 S ATOM 0 H CYS A 2 -0.788 -0.483 -1.969 1.00 32.34 H new ATOM 0 HA CYS A 2 -0.856 -1.319 -4.785 1.00 65.42 H new ATOM 0 HB2 CYS A 2 -2.953 -2.226 -2.795 1.00 74.43 H new ATOM 0 HB3 CYS A 2 -2.749 -2.739 -4.459 1.00 74.43 H new ATOM 22 N THR A 3 -1.920 1.143 -3.432 1.00 61.34 N ATOM 23 CA THR A 3 -2.720 2.359 -3.496 1.00 12.11 C ATOM 24 C THR A 3 -1.874 3.590 -3.192 1.00 52.35 C ATOM 25 O THR A 3 -1.870 4.092 -2.068 1.00 31.22 O ATOM 26 CB THR A 3 -3.902 2.306 -2.509 1.00 42.31 C ATOM 27 OG1 THR A 3 -4.473 0.993 -2.498 1.00 42.23 O ATOM 28 CG2 THR A 3 -4.967 3.325 -2.885 1.00 71.04 C ATOM 0 H THR A 3 -1.037 1.245 -2.931 1.00 61.34 H new ATOM 0 HA THR A 3 -3.107 2.430 -4.512 1.00 12.11 H new ATOM 0 HB THR A 3 -3.527 2.546 -1.514 1.00 42.31 H new ATOM 0 HG1 THR A 3 -4.682 0.735 -1.576 1.00 42.23 H new ATOM 0 HG21 THR A 3 -5.791 3.269 -2.174 1.00 71.04 H new ATOM 0 HG22 THR A 3 -4.536 4.326 -2.863 1.00 71.04 H new ATOM 0 HG23 THR A 3 -5.337 3.111 -3.888 1.00 71.04 H new ATOM 36 N CYS A 4 -1.159 4.074 -4.202 1.00 44.12 N ATOM 37 CA CYS A 4 -0.308 5.248 -4.044 1.00 71.41 C ATOM 38 C CYS A 4 -1.079 6.395 -3.397 1.00 62.13 C ATOM 39 O CYS A 4 -1.893 7.053 -4.045 1.00 71.54 O ATOM 40 CB CYS A 4 0.243 5.690 -5.401 1.00 4.21 C ATOM 41 SG CYS A 4 1.739 4.792 -5.925 1.00 21.35 S ATOM 0 H CYS A 4 -1.152 3.671 -5.139 1.00 44.12 H new ATOM 0 HA CYS A 4 0.523 4.979 -3.392 1.00 71.41 H new ATOM 0 HB2 CYS A 4 -0.531 5.556 -6.156 1.00 4.21 H new ATOM 0 HB3 CYS A 4 0.468 6.756 -5.360 1.00 4.21 H new ATOM 46 N ARG A 5 -0.816 6.629 -2.116 1.00 24.22 N ATOM 47 CA ARG A 5 -1.485 7.695 -1.381 1.00 4.52 C ATOM 48 C ARG A 5 -0.552 8.304 -0.337 1.00 53.23 C ATOM 49 O ARG A 5 0.483 7.728 -0.004 1.00 61.20 O ATOM 50 CB ARG A 5 -2.748 7.162 -0.702 1.00 64.24 C ATOM 51 CG ARG A 5 -3.794 6.651 -1.679 1.00 52.22 C ATOM 52 CD ARG A 5 -5.004 6.084 -0.953 1.00 60.13 C ATOM 53 NE ARG A 5 -5.765 7.122 -0.264 1.00 12.22 N ATOM 54 CZ ARG A 5 -6.521 8.017 -0.890 1.00 15.12 C ATOM 55 NH1 ARG A 5 -6.617 8.000 -2.212 1.00 53.11 N ATOM 56 NH2 ARG A 5 -7.184 8.931 -0.193 1.00 13.12 N ATOM 0 H ARG A 5 -0.144 6.094 -1.565 1.00 24.22 H new ATOM 0 HA ARG A 5 -1.764 8.472 -2.092 1.00 4.52 H new ATOM 0 HB2 ARG A 5 -2.472 6.355 -0.023 1.00 64.24 H new ATOM 0 HB3 ARG A 5 -3.186 7.954 -0.095 1.00 64.24 H new ATOM 0 HG2 ARG A 5 -4.109 7.463 -2.334 1.00 52.22 H new ATOM 0 HG3 ARG A 5 -3.355 5.881 -2.314 1.00 52.22 H new ATOM 0 HD2 ARG A 5 -5.650 5.575 -1.668 1.00 60.13 H new ATOM 0 HD3 ARG A 5 -4.676 5.336 -0.231 1.00 60.13 H new ATOM 0 HE ARG A 5 -5.713 7.162 0.754 1.00 12.22 H new ATOM 0 HH11 ARG A 5 -6.110 7.298 -2.751 1.00 53.11 H new ATOM 0 HH12 ARG A 5 -7.198 8.688 -2.690 1.00 53.11 H new ATOM 0 HH21 ARG A 5 -7.113 8.947 0.824 1.00 13.12 H new ATOM 0 HH22 ARG A 5 -7.764 9.618 -0.675 1.00 13.12 H new ATOM 70 N ARG A 6 -0.927 9.472 0.174 1.00 51.43 N ATOM 71 CA ARG A 6 -0.124 10.160 1.178 1.00 50.04 C ATOM 72 C ARG A 6 -0.854 10.211 2.516 1.00 13.14 C ATOM 73 O ARG A 6 -1.856 9.525 2.715 1.00 74.14 O ATOM 74 CB ARG A 6 0.208 11.579 0.711 1.00 24.44 C ATOM 75 CG ARG A 6 -0.104 11.827 -0.755 1.00 74.22 C ATOM 76 CD ARG A 6 0.222 13.256 -1.160 1.00 70.33 C ATOM 77 NE ARG A 6 -0.974 14.090 -1.235 1.00 52.21 N ATOM 78 CZ ARG A 6 -1.809 14.087 -2.268 1.00 73.32 C ATOM 79 NH1 ARG A 6 -1.580 13.296 -3.308 1.00 1.33 N ATOM 80 NH2 ARG A 6 -2.877 14.875 -2.262 1.00 62.35 N ATOM 0 H ARG A 6 -1.782 9.962 -0.091 1.00 51.43 H new ATOM 0 HA ARG A 6 0.803 9.602 1.311 1.00 50.04 H new ATOM 0 HB2 ARG A 6 -0.350 12.292 1.318 1.00 24.44 H new ATOM 0 HB3 ARG A 6 1.267 11.771 0.886 1.00 24.44 H new ATOM 0 HG2 ARG A 6 0.467 11.133 -1.372 1.00 74.22 H new ATOM 0 HG3 ARG A 6 -1.159 11.626 -0.943 1.00 74.22 H new ATOM 0 HD2 ARG A 6 0.919 13.686 -0.441 1.00 70.33 H new ATOM 0 HD3 ARG A 6 0.723 13.253 -2.128 1.00 70.33 H new ATOM 0 HE ARG A 6 -1.180 14.709 -0.451 1.00 52.21 H new ATOM 0 HH11 ARG A 6 -0.761 12.688 -3.316 1.00 1.33 H new ATOM 0 HH12 ARG A 6 -2.223 13.296 -4.100 1.00 1.33 H new ATOM 0 HH21 ARG A 6 -3.057 15.484 -1.464 1.00 62.35 H new ATOM 0 HH22 ARG A 6 -3.518 14.872 -3.056 1.00 62.35 H new ATOM 94 N ALA A 7 -0.344 11.029 3.432 1.00 75.51 N ATOM 95 CA ALA A 7 -0.949 11.170 4.751 1.00 44.22 C ATOM 96 C ALA A 7 -0.836 9.875 5.548 1.00 2.43 C ATOM 97 O ALA A 7 -0.374 8.857 5.034 1.00 44.11 O ATOM 98 CB ALA A 7 -2.406 11.587 4.622 1.00 51.55 C ATOM 0 H ALA A 7 0.486 11.603 3.285 1.00 75.51 H new ATOM 0 HA ALA A 7 -0.407 11.947 5.291 1.00 44.22 H new ATOM 0 HB1 ALA A 7 -2.845 11.688 5.615 1.00 51.55 H new ATOM 0 HB2 ALA A 7 -2.466 12.542 4.099 1.00 51.55 H new ATOM 0 HB3 ALA A 7 -2.953 10.830 4.059 1.00 51.55 H new ATOM 104 N TRP A 8 -1.260 9.922 6.806 1.00 42.21 N ATOM 105 CA TRP A 8 -1.205 8.752 7.675 1.00 72.13 C ATOM 106 C TRP A 8 -2.522 7.985 7.638 1.00 35.12 C ATOM 107 O TRP A 8 -2.817 7.197 8.538 1.00 54.24 O ATOM 108 CB TRP A 8 -0.885 9.171 9.110 1.00 3.42 C ATOM 109 CG TRP A 8 0.319 8.481 9.676 1.00 23.10 C ATOM 110 CD1 TRP A 8 0.654 7.165 9.528 1.00 4.24 C ATOM 111 CD2 TRP A 8 1.346 9.071 10.481 1.00 30.41 C ATOM 112 NE1 TRP A 8 1.828 6.901 10.193 1.00 13.52 N ATOM 113 CE2 TRP A 8 2.272 8.054 10.785 1.00 65.00 C ATOM 114 CE3 TRP A 8 1.574 10.359 10.973 1.00 70.51 C ATOM 115 CZ2 TRP A 8 3.406 8.287 11.559 1.00 0.50 C ATOM 116 CZ3 TRP A 8 2.699 10.589 11.741 1.00 23.42 C ATOM 117 CH2 TRP A 8 3.604 9.558 12.028 1.00 62.24 C ATOM 0 H TRP A 8 -1.645 10.757 7.247 1.00 42.21 H new ATOM 0 HA TRP A 8 -0.414 8.097 7.311 1.00 72.13 H new ATOM 0 HB2 TRP A 8 -0.724 10.249 9.139 1.00 3.42 H new ATOM 0 HB3 TRP A 8 -1.747 8.960 9.743 1.00 3.42 H new ATOM 0 HD1 TRP A 8 0.081 6.439 8.971 1.00 4.24 H new ATOM 0 HE1 TRP A 8 2.293 5.994 10.238 1.00 13.52 H new ATOM 0 HE3 TRP A 8 0.883 11.160 10.757 1.00 70.51 H new ATOM 0 HZ2 TRP A 8 4.104 7.494 11.781 1.00 0.50 H new ATOM 0 HZ3 TRP A 8 2.884 11.580 12.127 1.00 23.42 H new ATOM 0 HH2 TRP A 8 4.475 9.770 12.631 1.00 62.24 H new ATOM 128 N ILE A 9 -3.310 8.220 6.594 1.00 32.23 N ATOM 129 CA ILE A 9 -4.595 7.549 6.441 1.00 13.25 C ATOM 130 C ILE A 9 -4.670 6.799 5.116 1.00 23.10 C ATOM 131 O ILE A 9 -3.743 6.853 4.306 1.00 14.04 O ATOM 132 CB ILE A 9 -5.765 8.549 6.519 1.00 24.41 C ATOM 133 CG1 ILE A 9 -5.639 9.601 5.415 1.00 31.51 C ATOM 134 CG2 ILE A 9 -5.805 9.212 7.888 1.00 63.52 C ATOM 135 CD1 ILE A 9 -6.332 9.211 4.128 1.00 44.11 C ATOM 0 H ILE A 9 -3.081 8.870 5.842 1.00 32.23 H new ATOM 0 HA ILE A 9 -4.679 6.838 7.263 1.00 13.25 H new ATOM 0 HB ILE A 9 -6.699 8.006 6.373 1.00 24.41 H new ATOM 0 HG12 ILE A 9 -6.056 10.543 5.772 1.00 31.51 H new ATOM 0 HG13 ILE A 9 -4.583 9.777 5.211 1.00 31.51 H new ATOM 0 HG21 ILE A 9 -6.637 9.915 7.927 1.00 63.52 H new ATOM 0 HG22 ILE A 9 -5.937 8.451 8.657 1.00 63.52 H new ATOM 0 HG23 ILE A 9 -4.870 9.745 8.061 1.00 63.52 H new ATOM 0 HD11 ILE A 9 -6.202 10.003 3.390 1.00 44.11 H new ATOM 0 HD12 ILE A 9 -5.899 8.286 3.748 1.00 44.11 H new ATOM 0 HD13 ILE A 9 -7.395 9.063 4.318 1.00 44.11 H new ATOM 147 N CYS A 10 -5.779 6.100 4.900 1.00 40.15 N ATOM 148 CA CYS A 10 -5.977 5.339 3.672 1.00 44.23 C ATOM 149 C CYS A 10 -7.430 4.896 3.535 1.00 54.04 C ATOM 150 O CYS A 10 -8.287 5.288 4.327 1.00 20.02 O ATOM 151 CB CYS A 10 -5.055 4.118 3.650 1.00 74.11 C ATOM 152 SG CYS A 10 -3.602 4.302 2.568 1.00 44.42 S ATOM 0 H CYS A 10 -6.555 6.045 5.560 1.00 40.15 H new ATOM 0 HA CYS A 10 -5.732 5.986 2.829 1.00 44.23 H new ATOM 0 HB2 CYS A 10 -4.715 3.915 4.665 1.00 74.11 H new ATOM 0 HB3 CYS A 10 -5.628 3.249 3.326 1.00 74.11 H new ATOM 157 N ARG A 11 -7.700 4.077 2.524 1.00 74.53 N ATOM 158 CA ARG A 11 -9.050 3.581 2.282 1.00 61.42 C ATOM 159 C ARG A 11 -9.651 2.997 3.557 1.00 72.41 C ATOM 160 O ARG A 11 -10.488 3.625 4.204 1.00 14.24 O ATOM 161 CB ARG A 11 -9.036 2.520 1.179 1.00 14.14 C ATOM 162 CG ARG A 11 -8.647 3.065 -0.185 1.00 62.10 C ATOM 163 CD ARG A 11 -9.872 3.398 -1.023 1.00 24.34 C ATOM 164 NE ARG A 11 -10.141 2.374 -2.029 1.00 12.12 N ATOM 165 CZ ARG A 11 -11.098 2.478 -2.944 1.00 71.43 C ATOM 166 NH1 ARG A 11 -11.872 3.553 -2.980 1.00 52.44 N ATOM 167 NH2 ARG A 11 -11.282 1.504 -3.827 1.00 21.33 N ATOM 0 H ARG A 11 -7.002 3.743 1.859 1.00 74.53 H new ATOM 0 HA ARG A 11 -9.667 4.420 1.962 1.00 61.42 H new ATOM 0 HB2 ARG A 11 -8.340 1.729 1.457 1.00 14.14 H new ATOM 0 HB3 ARG A 11 -10.024 2.066 1.111 1.00 14.14 H new ATOM 0 HG2 ARG A 11 -8.037 3.959 -0.060 1.00 62.10 H new ATOM 0 HG3 ARG A 11 -8.034 2.332 -0.710 1.00 62.10 H new ATOM 0 HD2 ARG A 11 -10.739 3.503 -0.371 1.00 24.34 H new ATOM 0 HD3 ARG A 11 -9.725 4.360 -1.515 1.00 24.34 H new ATOM 0 HE ARG A 11 -9.563 1.534 -2.029 1.00 12.12 H new ATOM 0 HH11 ARG A 11 -11.734 4.304 -2.304 1.00 52.44 H new ATOM 0 HH12 ARG A 11 -12.606 3.630 -3.684 1.00 52.44 H new ATOM 0 HH21 ARG A 11 -10.688 0.675 -3.803 1.00 21.33 H new ATOM 0 HH22 ARG A 11 -12.017 1.585 -4.529 1.00 21.33 H new ATOM 181 N TRP A 12 -9.219 1.792 3.910 1.00 21.42 N ATOM 182 CA TRP A 12 -9.715 1.123 5.108 1.00 72.45 C ATOM 183 C TRP A 12 -9.027 -0.224 5.303 1.00 35.12 C ATOM 184 O TRP A 12 -9.005 -1.058 4.399 1.00 53.43 O ATOM 185 CB TRP A 12 -11.230 0.927 5.017 1.00 5.51 C ATOM 186 CG TRP A 12 -12.001 1.842 5.920 1.00 52.15 C ATOM 187 CD1 TRP A 12 -11.801 2.035 7.257 1.00 71.33 C ATOM 188 CD2 TRP A 12 -13.097 2.687 5.550 1.00 22.51 C ATOM 189 NE1 TRP A 12 -12.706 2.948 7.741 1.00 54.03 N ATOM 190 CE2 TRP A 12 -13.512 3.364 6.714 1.00 63.44 C ATOM 191 CE3 TRP A 12 -13.766 2.938 4.350 1.00 53.24 C ATOM 192 CZ2 TRP A 12 -14.566 4.273 6.709 1.00 1.12 C ATOM 193 CZ3 TRP A 12 -14.812 3.841 4.347 1.00 55.00 C ATOM 194 CH2 TRP A 12 -15.204 4.500 5.520 1.00 44.30 C ATOM 0 H TRP A 12 -8.527 1.258 3.385 1.00 21.42 H new ATOM 0 HA TRP A 12 -9.488 1.754 5.967 1.00 72.45 H new ATOM 0 HB2 TRP A 12 -11.549 1.090 3.988 1.00 5.51 H new ATOM 0 HB3 TRP A 12 -11.471 -0.106 5.266 1.00 5.51 H new ATOM 0 HD1 TRP A 12 -11.043 1.542 7.847 1.00 71.33 H new ATOM 0 HE1 TRP A 12 -12.768 3.265 8.708 1.00 54.03 H new ATOM 0 HE3 TRP A 12 -13.471 2.435 3.441 1.00 53.24 H new ATOM 0 HZ2 TRP A 12 -14.870 4.781 7.612 1.00 1.12 H new ATOM 0 HZ3 TRP A 12 -15.337 4.042 3.425 1.00 55.00 H new ATOM 0 HH2 TRP A 12 -16.025 5.200 5.485 1.00 44.30 H new ATOM 205 N GLY A 13 -8.467 -0.431 6.491 1.00 2.41 N ATOM 206 CA GLY A 13 -7.786 -1.679 6.783 1.00 11.41 C ATOM 207 C GLY A 13 -6.756 -2.037 5.730 1.00 33.53 C ATOM 208 O GLY A 13 -6.558 -3.212 5.422 1.00 34.23 O ATOM 0 H GLY A 13 -8.473 0.243 7.256 1.00 2.41 H new ATOM 0 HA2 GLY A 13 -7.297 -1.604 7.754 1.00 11.41 H new ATOM 0 HA3 GLY A 13 -8.520 -2.481 6.857 1.00 11.41 H new ATOM 212 N GLU A 14 -6.100 -1.023 5.176 1.00 12.31 N ATOM 213 CA GLU A 14 -5.087 -1.238 4.150 1.00 72.33 C ATOM 214 C GLU A 14 -3.695 -1.323 4.769 1.00 41.44 C ATOM 215 O GLU A 14 -3.225 -0.374 5.397 1.00 42.23 O ATOM 216 CB GLU A 14 -5.130 -0.112 3.115 1.00 40.11 C ATOM 217 CG GLU A 14 -6.332 -0.182 2.188 1.00 12.14 C ATOM 218 CD GLU A 14 -5.947 -0.086 0.725 1.00 52.21 C ATOM 219 OE1 GLU A 14 -4.953 0.603 0.416 1.00 25.14 O ATOM 220 OE2 GLU A 14 -6.641 -0.700 -0.112 1.00 74.40 O ATOM 0 H GLU A 14 -6.252 -0.044 5.420 1.00 12.31 H new ATOM 0 HA GLU A 14 -5.303 -2.185 3.655 1.00 72.33 H new ATOM 0 HB2 GLU A 14 -5.137 0.847 3.634 1.00 40.11 H new ATOM 0 HB3 GLU A 14 -4.219 -0.144 2.518 1.00 40.11 H new ATOM 0 HG2 GLU A 14 -6.864 -1.118 2.359 1.00 12.14 H new ATOM 0 HG3 GLU A 14 -7.022 0.626 2.432 1.00 12.14 H new ATOM 227 N ARG A 15 -3.041 -2.465 4.587 1.00 72.33 N ATOM 228 CA ARG A 15 -1.704 -2.675 5.128 1.00 21.03 C ATOM 229 C ARG A 15 -0.728 -1.636 4.584 1.00 62.32 C ATOM 230 O ARG A 15 -0.717 -1.346 3.387 1.00 13.00 O ATOM 231 CB ARG A 15 -1.209 -4.082 4.790 1.00 24.42 C ATOM 232 CG ARG A 15 -0.862 -4.270 3.322 1.00 2.23 C ATOM 233 CD ARG A 15 -0.333 -5.669 3.049 1.00 32.20 C ATOM 234 NE ARG A 15 -1.060 -6.327 1.966 1.00 21.03 N ATOM 235 CZ ARG A 15 -0.843 -7.583 1.593 1.00 70.13 C ATOM 236 NH1 ARG A 15 0.074 -8.313 2.211 1.00 24.45 N ATOM 237 NH2 ARG A 15 -1.545 -8.111 0.598 1.00 30.43 N ATOM 0 H ARG A 15 -3.416 -3.260 4.069 1.00 72.33 H new ATOM 0 HA ARG A 15 -1.757 -2.567 6.211 1.00 21.03 H new ATOM 0 HB2 ARG A 15 -0.329 -4.303 5.394 1.00 24.42 H new ATOM 0 HB3 ARG A 15 -1.976 -4.804 5.069 1.00 24.42 H new ATOM 0 HG2 ARG A 15 -1.747 -4.089 2.712 1.00 2.23 H new ATOM 0 HG3 ARG A 15 -0.115 -3.533 3.026 1.00 2.23 H new ATOM 0 HD2 ARG A 15 0.725 -5.613 2.794 1.00 32.20 H new ATOM 0 HD3 ARG A 15 -0.411 -6.269 3.955 1.00 32.20 H new ATOM 0 HE ARG A 15 -1.773 -5.793 1.469 1.00 21.03 H new ATOM 0 HH11 ARG A 15 0.616 -7.911 2.976 1.00 24.45 H new ATOM 0 HH12 ARG A 15 0.238 -9.277 1.922 1.00 24.45 H new ATOM 0 HH21 ARG A 15 -2.251 -7.552 0.120 1.00 30.43 H new ATOM 0 HH22 ARG A 15 -1.378 -9.076 0.312 1.00 30.43 H new ATOM 251 N HIS A 16 0.091 -1.079 5.470 1.00 31.05 N ATOM 252 CA HIS A 16 1.071 -0.072 5.079 1.00 61.31 C ATOM 253 C HIS A 16 2.401 -0.723 4.710 1.00 74.35 C ATOM 254 O HIS A 16 2.757 -1.774 5.242 1.00 24.11 O ATOM 255 CB HIS A 16 1.280 0.934 6.211 1.00 53.23 C ATOM 256 CG HIS A 16 0.760 2.304 5.898 1.00 70.41 C ATOM 257 ND1 HIS A 16 -0.299 2.878 6.568 1.00 34.23 N ATOM 258 CD2 HIS A 16 1.161 3.215 4.981 1.00 63.31 C ATOM 259 CE1 HIS A 16 -0.528 4.082 6.076 1.00 55.11 C ATOM 260 NE2 HIS A 16 0.345 4.311 5.112 1.00 73.14 N ATOM 0 H HIS A 16 0.096 -1.308 6.464 1.00 31.05 H new ATOM 0 HA HIS A 16 0.687 0.452 4.204 1.00 61.31 H new ATOM 0 HB2 HIS A 16 0.788 0.564 7.110 1.00 53.23 H new ATOM 0 HB3 HIS A 16 2.345 1.001 6.435 1.00 53.23 H new ATOM 0 HD2 HIS A 16 1.972 3.101 4.277 1.00 63.31 H new ATOM 0 HE1 HIS A 16 -1.298 4.763 6.406 1.00 55.11 H new ATOM 0 HE2 HIS A 16 0.403 5.164 4.555 1.00 73.14 H new ATOM 268 N SER A 17 3.129 -0.092 3.794 1.00 31.21 N ATOM 269 CA SER A 17 4.417 -0.612 3.350 1.00 32.42 C ATOM 270 C SER A 17 5.185 0.442 2.559 1.00 71.22 C ATOM 271 O SER A 17 5.286 0.364 1.335 1.00 12.31 O ATOM 272 CB SER A 17 4.217 -1.864 2.494 1.00 62.32 C ATOM 273 OG SER A 17 4.145 -3.027 3.300 1.00 72.50 O ATOM 0 H SER A 17 2.849 0.780 3.345 1.00 31.21 H new ATOM 0 HA SER A 17 5.000 -0.874 4.233 1.00 32.42 H new ATOM 0 HB2 SER A 17 3.302 -1.766 1.909 1.00 62.32 H new ATOM 0 HB3 SER A 17 5.040 -1.959 1.786 1.00 62.32 H new ATOM 0 HG SER A 17 3.656 -2.824 4.125 1.00 72.50 H new ATOM 279 N GLY A 18 5.726 1.428 3.268 1.00 14.01 N ATOM 280 CA GLY A 18 6.478 2.484 2.617 1.00 53.43 C ATOM 281 C GLY A 18 5.632 3.284 1.645 1.00 21.31 C ATOM 282 O GLY A 18 4.458 3.548 1.904 1.00 52.13 O ATOM 0 H GLY A 18 5.657 1.514 4.282 1.00 14.01 H new ATOM 0 HA2 GLY A 18 6.888 3.153 3.373 1.00 53.43 H new ATOM 0 HA3 GLY A 18 7.324 2.049 2.085 1.00 53.43 H new ATOM 286 N LYS A 19 6.230 3.672 0.524 1.00 72.23 N ATOM 287 CA LYS A 19 5.525 4.446 -0.491 1.00 1.41 C ATOM 288 C LYS A 19 6.074 4.148 -1.882 1.00 62.43 C ATOM 289 O LYS A 19 7.112 3.501 -2.026 1.00 4.24 O ATOM 290 CB LYS A 19 5.645 5.943 -0.194 1.00 63.12 C ATOM 291 CG LYS A 19 7.066 6.471 -0.295 1.00 71.12 C ATOM 292 CD LYS A 19 7.850 6.208 0.979 1.00 4.23 C ATOM 293 CE LYS A 19 8.931 7.256 1.195 1.00 42.54 C ATOM 294 NZ LYS A 19 9.996 6.774 2.118 1.00 54.32 N ATOM 0 H LYS A 19 7.202 3.463 0.295 1.00 72.23 H new ATOM 0 HA LYS A 19 4.474 4.159 -0.466 1.00 1.41 H new ATOM 0 HB2 LYS A 19 5.011 6.495 -0.888 1.00 63.12 H new ATOM 0 HB3 LYS A 19 5.264 6.138 0.809 1.00 63.12 H new ATOM 0 HG2 LYS A 19 7.571 6.000 -1.138 1.00 71.12 H new ATOM 0 HG3 LYS A 19 7.044 7.542 -0.495 1.00 71.12 H new ATOM 0 HD2 LYS A 19 7.170 6.204 1.831 1.00 4.23 H new ATOM 0 HD3 LYS A 19 8.305 5.219 0.930 1.00 4.23 H new ATOM 0 HE2 LYS A 19 9.375 7.522 0.236 1.00 42.54 H new ATOM 0 HE3 LYS A 19 8.482 8.162 1.601 1.00 42.54 H new ATOM 0 HZ1 LYS A 19 10.713 7.517 2.239 1.00 54.32 H new ATOM 0 HZ2 LYS A 19 9.577 6.544 3.042 1.00 54.32 H new ATOM 0 HZ3 LYS A 19 10.443 5.924 1.719 1.00 54.32 H new ATOM 308 N CYS A 20 5.372 4.623 -2.905 1.00 51.22 N ATOM 309 CA CYS A 20 5.789 4.408 -4.285 1.00 51.35 C ATOM 310 C CYS A 20 6.607 5.591 -4.797 1.00 31.40 C ATOM 311 O CYS A 20 7.084 5.583 -5.932 1.00 41.51 O ATOM 312 CB CYS A 20 4.568 4.193 -5.182 1.00 13.13 C ATOM 313 SG CYS A 20 3.381 5.575 -5.166 1.00 0.23 S ATOM 0 H CYS A 20 4.511 5.160 -2.804 1.00 51.22 H new ATOM 0 HA CYS A 20 6.415 3.516 -4.314 1.00 51.35 H new ATOM 0 HB2 CYS A 20 4.906 4.031 -6.205 1.00 13.13 H new ATOM 0 HB3 CYS A 20 4.055 3.284 -4.868 1.00 13.13 H new ATOM 318 N ILE A 21 6.764 6.604 -3.952 1.00 24.43 N ATOM 319 CA ILE A 21 7.525 7.792 -4.317 1.00 64.25 C ATOM 320 C ILE A 21 7.046 8.364 -5.647 1.00 15.31 C ATOM 321 O ILE A 21 7.565 8.017 -6.708 1.00 35.53 O ATOM 322 CB ILE A 21 9.032 7.487 -4.416 1.00 52.24 C ATOM 323 CG1 ILE A 21 9.553 6.944 -3.084 1.00 60.24 C ATOM 324 CG2 ILE A 21 9.799 8.737 -4.822 1.00 23.33 C ATOM 325 CD1 ILE A 21 10.954 6.381 -3.168 1.00 63.54 C ATOM 0 H ILE A 21 6.374 6.626 -3.010 1.00 24.43 H new ATOM 0 HA ILE A 21 7.362 8.526 -3.528 1.00 64.25 H new ATOM 0 HB ILE A 21 9.185 6.726 -5.181 1.00 52.24 H new ATOM 0 HG12 ILE A 21 9.535 7.743 -2.343 1.00 60.24 H new ATOM 0 HG13 ILE A 21 8.878 6.165 -2.729 1.00 60.24 H new ATOM 0 HG21 ILE A 21 10.862 8.506 -4.888 1.00 23.33 H new ATOM 0 HG22 ILE A 21 9.442 9.084 -5.792 1.00 23.33 H new ATOM 0 HG23 ILE A 21 9.643 9.518 -4.078 1.00 23.33 H new ATOM 0 HD11 ILE A 21 11.258 6.014 -2.188 1.00 63.54 H new ATOM 0 HD12 ILE A 21 10.974 5.560 -3.885 1.00 63.54 H new ATOM 0 HD13 ILE A 21 11.641 7.162 -3.492 1.00 63.54 H new ATOM 337 N ASP A 22 6.053 9.245 -5.582 1.00 21.14 N ATOM 338 CA ASP A 22 5.504 9.869 -6.780 1.00 64.21 C ATOM 339 C ASP A 22 4.781 11.167 -6.434 1.00 72.55 C ATOM 340 O ASP A 22 5.289 12.258 -6.690 1.00 31.20 O ATOM 341 CB ASP A 22 4.547 8.909 -7.488 1.00 14.13 C ATOM 342 CG ASP A 22 5.268 7.945 -8.409 1.00 24.15 C ATOM 343 OD1 ASP A 22 6.311 8.334 -8.976 1.00 30.21 O ATOM 344 OD2 ASP A 22 4.791 6.801 -8.561 1.00 42.21 O ATOM 0 H ASP A 22 5.612 9.543 -4.712 1.00 21.14 H new ATOM 0 HA ASP A 22 6.331 10.103 -7.450 1.00 64.21 H new ATOM 0 HB2 ASP A 22 3.987 8.344 -6.743 1.00 14.13 H new ATOM 0 HB3 ASP A 22 3.822 9.483 -8.064 1.00 14.13 H new ATOM 349 N GLN A 23 3.592 11.039 -5.854 1.00 23.35 N ATOM 350 CA GLN A 23 2.799 12.202 -5.475 1.00 35.21 C ATOM 351 C GLN A 23 3.494 13.002 -4.379 1.00 2.22 C ATOM 352 O GLN A 23 4.421 12.514 -3.731 1.00 75.13 O ATOM 353 CB GLN A 23 1.410 11.766 -5.002 1.00 45.31 C ATOM 354 CG GLN A 23 0.545 11.186 -6.109 1.00 22.41 C ATOM 355 CD GLN A 23 -0.863 10.872 -5.645 1.00 15.04 C ATOM 356 OE1 GLN A 23 -1.763 11.707 -5.745 1.00 60.14 O ATOM 357 NE2 GLN A 23 -1.063 9.663 -5.132 1.00 40.33 N ATOM 0 H GLN A 23 3.157 10.142 -5.637 1.00 23.35 H new ATOM 0 HA GLN A 23 2.693 12.840 -6.353 1.00 35.21 H new ATOM 0 HB2 GLN A 23 1.521 11.023 -4.212 1.00 45.31 H new ATOM 0 HB3 GLN A 23 0.899 12.623 -4.564 1.00 45.31 H new ATOM 0 HG2 GLN A 23 0.501 11.892 -6.938 1.00 22.41 H new ATOM 0 HG3 GLN A 23 1.010 10.276 -6.489 1.00 22.41 H new ATOM 0 HE21 GLN A 23 -0.289 9.002 -5.068 1.00 40.33 H new ATOM 0 HE22 GLN A 23 -1.991 9.396 -4.802 1.00 40.33 H new ATOM 366 N LYS A 24 3.042 14.235 -4.176 1.00 20.02 N ATOM 367 CA LYS A 24 3.620 15.104 -3.158 1.00 15.24 C ATOM 368 C LYS A 24 3.458 14.496 -1.768 1.00 1.30 C ATOM 369 O LYS A 24 3.081 13.334 -1.628 1.00 71.35 O ATOM 370 CB LYS A 24 2.960 16.484 -3.202 1.00 13.31 C ATOM 371 CG LYS A 24 3.953 17.633 -3.237 1.00 62.33 C ATOM 372 CD LYS A 24 4.367 17.969 -4.660 1.00 74.33 C ATOM 373 CE LYS A 24 4.189 19.450 -4.957 1.00 60.13 C ATOM 374 NZ LYS A 24 2.933 19.718 -5.711 1.00 31.31 N ATOM 0 H LYS A 24 2.277 14.655 -4.703 1.00 20.02 H new ATOM 0 HA LYS A 24 4.684 15.210 -3.368 1.00 15.24 H new ATOM 0 HB2 LYS A 24 2.318 16.543 -4.081 1.00 13.31 H new ATOM 0 HB3 LYS A 24 2.316 16.598 -2.330 1.00 13.31 H new ATOM 0 HG2 LYS A 24 3.510 18.512 -2.769 1.00 62.33 H new ATOM 0 HG3 LYS A 24 4.835 17.371 -2.653 1.00 62.33 H new ATOM 0 HD2 LYS A 24 5.409 17.689 -4.813 1.00 74.33 H new ATOM 0 HD3 LYS A 24 3.773 17.382 -5.361 1.00 74.33 H new ATOM 0 HE2 LYS A 24 4.177 20.009 -4.021 1.00 60.13 H new ATOM 0 HE3 LYS A 24 5.042 19.810 -5.533 1.00 60.13 H new ATOM 0 HZ1 LYS A 24 2.849 20.738 -5.894 1.00 31.31 H new ATOM 0 HZ2 LYS A 24 2.955 19.205 -6.615 1.00 31.31 H new ATOM 0 HZ3 LYS A 24 2.117 19.398 -5.151 1.00 31.31 H new ATOM 388 N GLY A 25 3.745 15.292 -0.742 1.00 21.32 N ATOM 389 CA GLY A 25 3.624 14.814 0.623 1.00 2.23 C ATOM 390 C GLY A 25 4.961 14.748 1.335 1.00 11.51 C ATOM 391 O GLY A 25 5.981 14.425 0.726 1.00 34.34 O ATOM 0 H GLY A 25 4.059 16.258 -0.832 1.00 21.32 H new ATOM 0 HA2 GLY A 25 2.953 15.471 1.177 1.00 2.23 H new ATOM 0 HA3 GLY A 25 3.169 13.824 0.619 1.00 2.23 H new ATOM 395 N SER A 26 4.957 15.058 2.628 1.00 61.12 N ATOM 396 CA SER A 26 6.180 15.038 3.422 1.00 32.22 C ATOM 397 C SER A 26 6.737 13.621 3.527 1.00 55.24 C ATOM 398 O SER A 26 7.726 13.280 2.877 1.00 75.11 O ATOM 399 CB SER A 26 5.914 15.598 4.821 1.00 74.32 C ATOM 400 OG SER A 26 6.948 15.237 5.720 1.00 41.32 O ATOM 0 H SER A 26 4.121 15.326 3.147 1.00 61.12 H new ATOM 0 HA SER A 26 6.919 15.664 2.922 1.00 32.22 H new ATOM 0 HB2 SER A 26 5.833 16.684 4.772 1.00 74.32 H new ATOM 0 HB3 SER A 26 4.959 15.224 5.191 1.00 74.32 H new ATOM 0 HG SER A 26 6.755 15.608 6.606 1.00 41.32 H new ATOM 406 N THR A 27 6.094 12.799 4.350 1.00 72.41 N ATOM 407 CA THR A 27 6.524 11.419 4.542 1.00 52.33 C ATOM 408 C THR A 27 6.077 10.538 3.381 1.00 23.31 C ATOM 409 O THR A 27 6.886 9.833 2.777 1.00 44.43 O ATOM 410 CB THR A 27 5.972 10.836 5.856 1.00 13.43 C ATOM 411 OG1 THR A 27 5.515 11.894 6.707 1.00 35.41 O ATOM 412 CG2 THR A 27 7.036 10.023 6.577 1.00 44.21 C ATOM 0 H THR A 27 5.273 13.065 4.894 1.00 72.41 H new ATOM 0 HA THR A 27 7.613 11.431 4.588 1.00 52.33 H new ATOM 0 HB THR A 27 5.137 10.178 5.613 1.00 13.43 H new ATOM 0 HG1 THR A 27 5.617 11.627 7.644 1.00 35.41 H new ATOM 0 HG21 THR A 27 6.622 9.622 7.502 1.00 44.21 H new ATOM 0 HG22 THR A 27 7.361 9.202 5.938 1.00 44.21 H new ATOM 0 HG23 THR A 27 7.888 10.662 6.808 1.00 44.21 H new ATOM 420 N TYR A 28 4.786 10.582 3.074 1.00 73.40 N ATOM 421 CA TYR A 28 4.231 9.785 1.986 1.00 63.10 C ATOM 422 C TYR A 28 4.333 8.294 2.296 1.00 53.44 C ATOM 423 O TYR A 28 5.429 7.747 2.415 1.00 11.14 O ATOM 424 CB TYR A 28 4.958 10.096 0.677 1.00 62.35 C ATOM 425 CG TYR A 28 4.239 9.585 -0.551 1.00 70.34 C ATOM 426 CD1 TYR A 28 2.859 9.699 -0.670 1.00 22.10 C ATOM 427 CD2 TYR A 28 4.939 8.987 -1.592 1.00 54.03 C ATOM 428 CE1 TYR A 28 2.198 9.233 -1.790 1.00 35.24 C ATOM 429 CE2 TYR A 28 4.285 8.520 -2.716 1.00 65.52 C ATOM 430 CZ TYR A 28 2.915 8.644 -2.810 1.00 41.52 C ATOM 431 OH TYR A 28 2.261 8.179 -3.927 1.00 74.25 O ATOM 0 H TYR A 28 4.104 11.161 3.563 1.00 73.40 H new ATOM 0 HA TYR A 28 3.178 10.044 1.880 1.00 63.10 H new ATOM 0 HB2 TYR A 28 5.086 11.175 0.590 1.00 62.35 H new ATOM 0 HB3 TYR A 28 5.956 9.658 0.712 1.00 62.35 H new ATOM 0 HD1 TYR A 28 2.294 10.160 0.127 1.00 22.10 H new ATOM 0 HD2 TYR A 28 6.012 8.886 -1.521 1.00 54.03 H new ATOM 0 HE1 TYR A 28 1.125 9.330 -1.866 1.00 35.24 H new ATOM 0 HE2 TYR A 28 4.844 8.060 -3.517 1.00 65.52 H new ATOM 0 HH TYR A 28 2.817 7.509 -4.377 1.00 74.25 H new ATOM 441 N ARG A 29 3.181 7.644 2.423 1.00 30.33 N ATOM 442 CA ARG A 29 3.138 6.217 2.719 1.00 25.24 C ATOM 443 C ARG A 29 1.871 5.582 2.155 1.00 14.05 C ATOM 444 O ARG A 29 0.789 5.713 2.730 1.00 1.23 O ATOM 445 CB ARG A 29 3.209 5.985 4.230 1.00 40.41 C ATOM 446 CG ARG A 29 2.256 6.862 5.026 1.00 74.15 C ATOM 447 CD ARG A 29 2.996 7.973 5.753 1.00 2.10 C ATOM 448 NE ARG A 29 2.441 9.290 5.451 1.00 62.21 N ATOM 449 CZ ARG A 29 2.612 10.355 6.226 1.00 23.10 C ATOM 450 NH1 ARG A 29 3.320 10.259 7.343 1.00 14.04 N ATOM 451 NH2 ARG A 29 2.076 11.519 5.884 1.00 52.24 N ATOM 0 H ARG A 29 2.265 8.083 2.326 1.00 30.33 H new ATOM 0 HA ARG A 29 4.000 5.748 2.245 1.00 25.24 H new ATOM 0 HB2 ARG A 29 2.987 4.939 4.439 1.00 40.41 H new ATOM 0 HB3 ARG A 29 4.228 6.169 4.570 1.00 40.41 H new ATOM 0 HG2 ARG A 29 1.514 7.296 4.356 1.00 74.15 H new ATOM 0 HG3 ARG A 29 1.715 6.251 5.748 1.00 74.15 H new ATOM 0 HD2 ARG A 29 2.948 7.797 6.828 1.00 2.10 H new ATOM 0 HD3 ARG A 29 4.049 7.951 5.473 1.00 2.10 H new ATOM 0 HE ARG A 29 1.892 9.398 4.598 1.00 62.21 H new ATOM 0 HH11 ARG A 29 3.735 9.366 7.609 1.00 14.04 H new ATOM 0 HH12 ARG A 29 3.450 11.078 7.936 1.00 14.04 H new ATOM 0 HH21 ARG A 29 1.532 11.597 5.025 1.00 52.24 H new ATOM 0 HH22 ARG A 29 2.208 12.336 6.480 1.00 52.24 H new ATOM 465 N LEU A 30 2.011 4.895 1.027 1.00 31.44 N ATOM 466 CA LEU A 30 0.877 4.239 0.385 1.00 51.43 C ATOM 467 C LEU A 30 0.442 3.007 1.172 1.00 45.04 C ATOM 468 O LEU A 30 1.094 2.613 2.139 1.00 3.43 O ATOM 469 CB LEU A 30 1.237 3.843 -1.048 1.00 72.12 C ATOM 470 CG LEU A 30 1.687 2.396 -1.251 1.00 71.22 C ATOM 471 CD1 LEU A 30 1.952 2.121 -2.723 1.00 62.23 C ATOM 472 CD2 LEU A 30 2.927 2.101 -0.420 1.00 11.22 C ATOM 0 H LEU A 30 2.898 4.778 0.538 1.00 31.44 H new ATOM 0 HA LEU A 30 0.046 4.944 0.363 1.00 51.43 H new ATOM 0 HB2 LEU A 30 0.370 4.025 -1.683 1.00 72.12 H new ATOM 0 HB3 LEU A 30 2.032 4.502 -1.397 1.00 72.12 H new ATOM 0 HG LEU A 30 0.886 1.737 -0.918 1.00 71.22 H new ATOM 0 HD11 LEU A 30 2.271 1.086 -2.848 1.00 62.23 H new ATOM 0 HD12 LEU A 30 1.040 2.291 -3.295 1.00 62.23 H new ATOM 0 HD13 LEU A 30 2.735 2.788 -3.083 1.00 62.23 H new ATOM 0 HD21 LEU A 30 3.233 1.067 -0.577 1.00 11.22 H new ATOM 0 HD22 LEU A 30 3.735 2.768 -0.722 1.00 11.22 H new ATOM 0 HD23 LEU A 30 2.703 2.257 0.635 1.00 11.22 H new ATOM 484 N CYS A 31 -0.662 2.400 0.749 1.00 44.42 N ATOM 485 CA CYS A 31 -1.183 1.211 1.412 1.00 51.42 C ATOM 486 C CYS A 31 -1.663 0.185 0.390 1.00 53.13 C ATOM 487 O CYS A 31 -1.676 0.449 -0.813 1.00 51.20 O ATOM 488 CB CYS A 31 -2.331 1.588 2.351 1.00 61.41 C ATOM 489 SG CYS A 31 -2.095 3.174 3.215 1.00 52.13 S ATOM 0 H CYS A 31 -1.213 2.712 -0.050 1.00 44.42 H new ATOM 0 HA CYS A 31 -0.376 0.767 1.995 1.00 51.42 H new ATOM 0 HB2 CYS A 31 -3.256 1.634 1.776 1.00 61.41 H new ATOM 0 HB3 CYS A 31 -2.455 0.798 3.092 1.00 61.41 H new ATOM 494 N CYS A 32 -2.058 -0.987 0.877 1.00 42.34 N ATOM 495 CA CYS A 32 -2.539 -2.054 0.007 1.00 1.43 C ATOM 496 C CYS A 32 -3.842 -2.643 0.539 1.00 13.52 C ATOM 497 O CYS A 32 -4.045 -2.736 1.750 1.00 41.50 O ATOM 498 CB CYS A 32 -1.483 -3.154 -0.117 1.00 42.31 C ATOM 499 SG CYS A 32 -1.959 -4.520 -1.224 1.00 12.11 S ATOM 0 H CYS A 32 -2.054 -1.222 1.870 1.00 42.34 H new ATOM 0 HA CYS A 32 -2.728 -1.628 -0.978 1.00 1.43 H new ATOM 0 HB2 CYS A 32 -0.555 -2.713 -0.480 1.00 42.31 H new ATOM 0 HB3 CYS A 32 -1.277 -3.559 0.874 1.00 42.31 H new ATOM 504 N ARG A 33 -4.722 -3.039 -0.374 1.00 54.34 N ATOM 505 CA ARG A 33 -6.006 -3.618 0.002 1.00 14.40 C ATOM 506 C ARG A 33 -5.842 -5.074 0.427 1.00 14.25 C ATOM 507 O ARG A 33 -5.935 -5.985 -0.395 1.00 21.20 O ATOM 508 CB ARG A 33 -6.994 -3.523 -1.163 1.00 25.52 C ATOM 509 CG ARG A 33 -8.448 -3.466 -0.725 1.00 50.54 C ATOM 510 CD ARG A 33 -9.179 -2.301 -1.375 1.00 72.22 C ATOM 511 NE ARG A 33 -9.331 -2.486 -2.816 1.00 12.21 N ATOM 512 CZ ARG A 33 -10.205 -3.325 -3.361 1.00 42.11 C ATOM 513 NH1 ARG A 33 -11.001 -4.052 -2.590 1.00 23.34 N ATOM 514 NH2 ARG A 33 -10.284 -3.437 -4.681 1.00 21.11 N ATOM 0 H ARG A 33 -4.569 -2.969 -1.380 1.00 54.34 H new ATOM 0 HA ARG A 33 -6.397 -3.053 0.848 1.00 14.40 H new ATOM 0 HB2 ARG A 33 -6.765 -2.634 -1.751 1.00 25.52 H new ATOM 0 HB3 ARG A 33 -6.854 -4.383 -1.818 1.00 25.52 H new ATOM 0 HG2 ARG A 33 -8.945 -4.400 -0.986 1.00 50.54 H new ATOM 0 HG3 ARG A 33 -8.499 -3.370 0.360 1.00 50.54 H new ATOM 0 HD2 ARG A 33 -10.162 -2.190 -0.918 1.00 72.22 H new ATOM 0 HD3 ARG A 33 -8.632 -1.378 -1.184 1.00 72.22 H new ATOM 0 HE ARG A 33 -8.733 -1.941 -3.438 1.00 12.21 H new ATOM 0 HH11 ARG A 33 -10.944 -3.968 -1.575 1.00 23.34 H new ATOM 0 HH12 ARG A 33 -11.671 -4.695 -3.012 1.00 23.34 H new ATOM 0 HH21 ARG A 33 -9.673 -2.879 -5.278 1.00 21.11 H new ATOM 0 HH22 ARG A 33 -10.955 -4.081 -5.099 1.00 21.11 H new ATOM 528 N ARG A 34 -5.598 -5.284 1.717 1.00 71.23 N ATOM 529 CA ARG A 34 -5.419 -6.629 2.251 1.00 54.01 C ATOM 530 C ARG A 34 -6.759 -7.232 2.664 1.00 62.44 C ATOM 531 O ARG A 34 -7.368 -7.990 1.908 1.00 14.24 O ATOM 532 CB ARG A 34 -4.469 -6.603 3.449 1.00 1.43 C ATOM 533 CG ARG A 34 -5.050 -5.911 4.672 1.00 24.51 C ATOM 534 CD ARG A 34 -5.434 -6.914 5.749 1.00 65.20 C ATOM 535 NE ARG A 34 -4.283 -7.327 6.548 1.00 42.20 N ATOM 536 CZ ARG A 34 -4.313 -8.332 7.416 1.00 52.11 C ATOM 537 NH1 ARG A 34 -5.430 -9.024 7.595 1.00 0.45 N ATOM 538 NH2 ARG A 34 -3.225 -8.647 8.106 1.00 24.31 N ATOM 0 H ARG A 34 -5.520 -4.541 2.411 1.00 71.23 H new ATOM 0 HA ARG A 34 -4.986 -7.250 1.467 1.00 54.01 H new ATOM 0 HB2 ARG A 34 -4.203 -7.626 3.713 1.00 1.43 H new ATOM 0 HB3 ARG A 34 -3.547 -6.098 3.160 1.00 1.43 H new ATOM 0 HG2 ARG A 34 -4.322 -5.206 5.073 1.00 24.51 H new ATOM 0 HG3 ARG A 34 -5.927 -5.333 4.382 1.00 24.51 H new ATOM 0 HD2 ARG A 34 -6.189 -6.475 6.401 1.00 65.20 H new ATOM 0 HD3 ARG A 34 -5.886 -7.790 5.284 1.00 65.20 H new ATOM 0 HE ARG A 34 -3.408 -6.815 6.433 1.00 42.20 H new ATOM 0 HH11 ARG A 34 -6.268 -8.785 7.066 1.00 0.45 H new ATOM 0 HH12 ARG A 34 -5.451 -9.795 8.262 1.00 0.45 H new ATOM 0 HH21 ARG A 34 -2.364 -8.117 7.970 1.00 24.31 H new ATOM 0 HH22 ARG A 34 -3.249 -9.419 8.772 1.00 24.31 H new TER 552 ARG A 34