USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=8 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 1 SER N :NH3+ -139:sc= 0.086 (180deg=0) USER MOD Set 1.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER OG : rot 45:sc= 0.109 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.371 F(o=-1.5,f=-0.37) USER MOD Single : A 17 SER OG : rot -62:sc= 0.0802 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.97 K(o=-3,f=-4.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 89:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.139 -0.195 -3.286 1.00 73.11 N ATOM 2 CA SER A 1 -4.964 -1.024 -3.045 1.00 1.23 C ATOM 3 C SER A 1 -3.693 -0.308 -3.493 1.00 33.02 C ATOM 4 O SER A 1 -3.489 -0.067 -4.683 1.00 14.41 O ATOM 5 CB SER A 1 -5.096 -2.360 -3.779 1.00 12.44 C ATOM 6 OG SER A 1 -5.531 -2.167 -5.113 1.00 73.34 O ATOM 0 H1 SER A 1 -6.790 -0.272 -2.478 1.00 73.11 H new ATOM 0 H2 SER A 1 -5.847 0.796 -3.402 1.00 73.11 H new ATOM 0 H3 SER A 1 -6.620 -0.517 -4.150 1.00 73.11 H new ATOM 0 HA SER A 1 -4.896 -1.212 -1.973 1.00 1.23 H new ATOM 0 HB2 SER A 1 -4.136 -2.876 -3.777 1.00 12.44 H new ATOM 0 HB3 SER A 1 -5.803 -3.000 -3.251 1.00 12.44 H new ATOM 0 HG SER A 1 -5.026 -1.432 -5.519 1.00 73.34 H new ATOM 12 N CYS A 2 -2.841 0.029 -2.531 1.00 11.14 N ATOM 13 CA CYS A 2 -1.590 0.718 -2.823 1.00 61.33 C ATOM 14 C CYS A 2 -1.852 2.051 -3.518 1.00 33.03 C ATOM 15 O CYS A 2 -1.029 2.530 -4.299 1.00 14.23 O ATOM 16 CB CYS A 2 -0.694 -0.159 -3.700 1.00 70.14 C ATOM 17 SG CYS A 2 0.154 -1.494 -2.797 1.00 21.15 S ATOM 0 H CYS A 2 -2.994 -0.164 -1.541 1.00 11.14 H new ATOM 0 HA CYS A 2 -1.083 0.915 -1.878 1.00 61.33 H new ATOM 0 HB2 CYS A 2 -1.299 -0.599 -4.493 1.00 70.14 H new ATOM 0 HB3 CYS A 2 0.054 0.471 -4.181 1.00 70.14 H new ATOM 22 N THR A 3 -3.005 2.646 -3.228 1.00 10.44 N ATOM 23 CA THR A 3 -3.377 3.923 -3.824 1.00 11.13 C ATOM 24 C THR A 3 -2.267 4.954 -3.654 1.00 23.41 C ATOM 25 O THR A 3 -1.814 5.215 -2.539 1.00 44.32 O ATOM 26 CB THR A 3 -4.674 4.476 -3.204 1.00 32.04 C ATOM 27 OG1 THR A 3 -5.766 3.593 -3.483 1.00 31.40 O ATOM 28 CG2 THR A 3 -4.985 5.863 -3.746 1.00 74.44 C ATOM 0 H THR A 3 -3.697 2.264 -2.584 1.00 10.44 H new ATOM 0 HA THR A 3 -3.540 3.740 -4.886 1.00 11.13 H new ATOM 0 HB THR A 3 -4.533 4.548 -2.126 1.00 32.04 H new ATOM 0 HG1 THR A 3 -6.586 3.951 -3.084 1.00 31.40 H new ATOM 0 HG21 THR A 3 -5.905 6.233 -3.294 1.00 74.44 H new ATOM 0 HG22 THR A 3 -4.165 6.540 -3.506 1.00 74.44 H new ATOM 0 HG23 THR A 3 -5.108 5.812 -4.828 1.00 74.44 H new ATOM 36 N CYS A 4 -1.832 5.537 -4.766 1.00 31.11 N ATOM 37 CA CYS A 4 -0.774 6.540 -4.741 1.00 33.12 C ATOM 38 C CYS A 4 -1.308 7.881 -4.247 1.00 54.53 C ATOM 39 O CYS A 4 -1.326 8.865 -4.988 1.00 71.42 O ATOM 40 CB CYS A 4 -0.164 6.703 -6.134 1.00 71.23 C ATOM 41 SG CYS A 4 1.591 7.190 -6.125 1.00 63.40 S ATOM 0 H CYS A 4 -2.196 5.332 -5.696 1.00 31.11 H new ATOM 0 HA CYS A 4 -0.001 6.200 -4.051 1.00 33.12 H new ATOM 0 HB2 CYS A 4 -0.266 5.763 -6.676 1.00 71.23 H new ATOM 0 HB3 CYS A 4 -0.735 7.451 -6.684 1.00 71.23 H new ATOM 46 N ARG A 5 -1.743 7.913 -2.992 1.00 5.54 N ATOM 47 CA ARG A 5 -2.278 9.133 -2.399 1.00 42.32 C ATOM 48 C ARG A 5 -1.401 9.606 -1.243 1.00 53.32 C ATOM 49 O ARG A 5 -0.432 8.943 -0.874 1.00 71.13 O ATOM 50 CB ARG A 5 -3.708 8.902 -1.908 1.00 22.15 C ATOM 51 CG ARG A 5 -3.822 7.806 -0.861 1.00 31.41 C ATOM 52 CD ARG A 5 -5.273 7.427 -0.607 1.00 2.02 C ATOM 53 NE ARG A 5 -6.076 8.578 -0.203 1.00 71.12 N ATOM 54 CZ ARG A 5 -7.404 8.599 -0.247 1.00 4.22 C ATOM 55 NH1 ARG A 5 -8.073 7.537 -0.674 1.00 13.44 N ATOM 56 NH2 ARG A 5 -8.064 9.684 0.138 1.00 50.05 N ATOM 0 H ARG A 5 -1.736 7.108 -2.366 1.00 5.54 H new ATOM 0 HA ARG A 5 -2.286 9.907 -3.166 1.00 42.32 H new ATOM 0 HB2 ARG A 5 -4.095 9.832 -1.492 1.00 22.15 H new ATOM 0 HB3 ARG A 5 -4.339 8.647 -2.759 1.00 22.15 H new ATOM 0 HG2 ARG A 5 -3.268 6.927 -1.191 1.00 31.41 H new ATOM 0 HG3 ARG A 5 -3.364 8.141 0.070 1.00 31.41 H new ATOM 0 HD2 ARG A 5 -5.697 6.988 -1.510 1.00 2.02 H new ATOM 0 HD3 ARG A 5 -5.318 6.663 0.169 1.00 2.02 H new ATOM 0 HE ARG A 5 -5.591 9.411 0.131 1.00 71.12 H new ATOM 0 HH11 ARG A 5 -7.568 6.701 -0.970 1.00 13.44 H new ATOM 0 HH12 ARG A 5 -9.092 7.556 -0.707 1.00 13.44 H new ATOM 0 HH21 ARG A 5 -7.552 10.502 0.468 1.00 50.05 H new ATOM 0 HH22 ARG A 5 -9.083 9.700 0.104 1.00 50.05 H new ATOM 70 N ARG A 6 -1.749 10.757 -0.676 1.00 43.14 N ATOM 71 CA ARG A 6 -0.993 11.320 0.436 1.00 22.41 C ATOM 72 C ARG A 6 -1.930 11.894 1.495 1.00 42.03 C ATOM 73 O ARG A 6 -2.602 12.899 1.264 1.00 64.23 O ATOM 74 CB ARG A 6 -0.042 12.409 -0.064 1.00 74.02 C ATOM 75 CG ARG A 6 -0.236 12.760 -1.530 1.00 54.13 C ATOM 76 CD ARG A 6 0.780 13.791 -1.995 1.00 52.52 C ATOM 77 NE ARG A 6 0.892 14.909 -1.061 1.00 64.43 N ATOM 78 CZ ARG A 6 -0.032 15.854 -0.931 1.00 30.40 C ATOM 79 NH1 ARG A 6 -1.132 15.816 -1.671 1.00 2.34 N ATOM 80 NH2 ARG A 6 0.143 16.838 -0.059 1.00 15.41 N ATOM 0 H ARG A 6 -2.549 11.317 -0.969 1.00 43.14 H new ATOM 0 HA ARG A 6 -0.409 10.518 0.888 1.00 22.41 H new ATOM 0 HB2 ARG A 6 -0.183 13.307 0.538 1.00 74.02 H new ATOM 0 HB3 ARG A 6 0.986 12.080 0.089 1.00 74.02 H new ATOM 0 HG2 ARG A 6 -0.145 11.859 -2.136 1.00 54.13 H new ATOM 0 HG3 ARG A 6 -1.244 13.146 -1.683 1.00 54.13 H new ATOM 0 HD2 ARG A 6 1.754 13.315 -2.109 1.00 52.52 H new ATOM 0 HD3 ARG A 6 0.492 14.166 -2.977 1.00 52.52 H new ATOM 0 HE ARG A 6 1.726 14.967 -0.477 1.00 64.43 H new ATOM 0 HH11 ARG A 6 -1.270 15.060 -2.342 1.00 2.34 H new ATOM 0 HH12 ARG A 6 -1.840 16.543 -1.569 1.00 2.34 H new ATOM 0 HH21 ARG A 6 0.988 16.869 0.512 1.00 15.41 H new ATOM 0 HH22 ARG A 6 -0.567 17.564 0.040 1.00 15.41 H new ATOM 94 N ALA A 7 -1.969 11.248 2.656 1.00 51.53 N ATOM 95 CA ALA A 7 -2.822 11.696 3.750 1.00 70.41 C ATOM 96 C ALA A 7 -2.568 10.880 5.013 1.00 70.53 C ATOM 97 O ALA A 7 -1.778 9.935 5.004 1.00 14.22 O ATOM 98 CB ALA A 7 -4.287 11.607 3.348 1.00 63.15 C ATOM 0 H ALA A 7 -1.420 10.413 2.863 1.00 51.53 H new ATOM 0 HA ALA A 7 -2.578 12.736 3.965 1.00 70.41 H new ATOM 0 HB1 ALA A 7 -4.912 11.945 4.175 1.00 63.15 H new ATOM 0 HB2 ALA A 7 -4.464 12.238 2.477 1.00 63.15 H new ATOM 0 HB3 ALA A 7 -4.535 10.574 3.104 1.00 63.15 H new ATOM 104 N TRP A 8 -3.241 11.250 6.096 1.00 50.01 N ATOM 105 CA TRP A 8 -3.087 10.552 7.367 1.00 20.22 C ATOM 106 C TRP A 8 -4.183 9.508 7.552 1.00 53.44 C ATOM 107 O TRP A 8 -4.515 9.137 8.678 1.00 75.45 O ATOM 108 CB TRP A 8 -3.114 11.549 8.527 1.00 75.12 C ATOM 109 CG TRP A 8 -1.913 11.457 9.418 1.00 60.10 C ATOM 110 CD1 TRP A 8 -0.699 12.049 9.220 1.00 5.52 C ATOM 111 CD2 TRP A 8 -1.811 10.728 10.646 1.00 64.32 C ATOM 112 NE1 TRP A 8 0.153 11.733 10.251 1.00 33.52 N ATOM 113 CE2 TRP A 8 -0.506 10.924 11.139 1.00 22.41 C ATOM 114 CE3 TRP A 8 -2.695 9.930 11.378 1.00 45.24 C ATOM 115 CZ2 TRP A 8 -0.066 10.350 12.329 1.00 72.50 C ATOM 116 CZ3 TRP A 8 -2.257 9.361 12.558 1.00 24.11 C ATOM 117 CH2 TRP A 8 -0.953 9.573 13.025 1.00 44.31 C ATOM 0 H TRP A 8 -3.899 12.029 6.120 1.00 50.01 H new ATOM 0 HA TRP A 8 -2.124 10.042 7.358 1.00 20.22 H new ATOM 0 HB2 TRP A 8 -3.183 12.560 8.126 1.00 75.12 H new ATOM 0 HB3 TRP A 8 -4.012 11.380 9.121 1.00 75.12 H new ATOM 0 HD1 TRP A 8 -0.445 12.674 8.377 1.00 5.52 H new ATOM 0 HE1 TRP A 8 1.119 12.049 10.341 1.00 33.52 H new ATOM 0 HE3 TRP A 8 -3.702 9.761 11.027 1.00 45.24 H new ATOM 0 HZ2 TRP A 8 0.939 10.512 12.690 1.00 72.50 H new ATOM 0 HZ3 TRP A 8 -2.931 8.742 13.131 1.00 24.11 H new ATOM 0 HH2 TRP A 8 -0.641 9.115 13.952 1.00 44.31 H new ATOM 128 N ILE A 9 -4.741 9.040 6.440 1.00 32.04 N ATOM 129 CA ILE A 9 -5.799 8.038 6.481 1.00 12.22 C ATOM 130 C ILE A 9 -5.768 7.154 5.239 1.00 44.41 C ATOM 131 O ILE A 9 -4.931 7.338 4.354 1.00 72.00 O ATOM 132 CB ILE A 9 -7.189 8.692 6.597 1.00 30.33 C ATOM 133 CG1 ILE A 9 -7.429 9.642 5.423 1.00 54.51 C ATOM 134 CG2 ILE A 9 -7.317 9.432 7.920 1.00 13.12 C ATOM 135 CD1 ILE A 9 -8.039 8.968 4.214 1.00 34.23 C ATOM 0 H ILE A 9 -4.478 9.338 5.501 1.00 32.04 H new ATOM 0 HA ILE A 9 -5.619 7.425 7.364 1.00 12.22 H new ATOM 0 HB ILE A 9 -7.947 7.909 6.566 1.00 30.33 H new ATOM 0 HG12 ILE A 9 -8.085 10.449 5.748 1.00 54.51 H new ATOM 0 HG13 ILE A 9 -6.481 10.097 5.135 1.00 54.51 H new ATOM 0 HG21 ILE A 9 -8.304 9.889 7.987 1.00 13.12 H new ATOM 0 HG22 ILE A 9 -7.185 8.730 8.744 1.00 13.12 H new ATOM 0 HG23 ILE A 9 -6.554 10.208 7.978 1.00 13.12 H new ATOM 0 HD11 ILE A 9 -8.181 9.702 3.421 1.00 34.23 H new ATOM 0 HD12 ILE A 9 -7.374 8.179 3.863 1.00 34.23 H new ATOM 0 HD13 ILE A 9 -9.002 8.537 4.485 1.00 34.23 H new ATOM 147 N CYS A 10 -6.686 6.196 5.178 1.00 25.52 N ATOM 148 CA CYS A 10 -6.765 5.283 4.044 1.00 50.00 C ATOM 149 C CYS A 10 -8.213 4.899 3.755 1.00 55.40 C ATOM 150 O CYS A 10 -9.124 5.267 4.498 1.00 42.13 O ATOM 151 CB CYS A 10 -5.937 4.025 4.316 1.00 53.35 C ATOM 152 SG CYS A 10 -4.157 4.341 4.539 1.00 31.21 S ATOM 0 H CYS A 10 -7.386 6.031 5.901 1.00 25.52 H new ATOM 0 HA CYS A 10 -6.361 5.794 3.170 1.00 50.00 H new ATOM 0 HB2 CYS A 10 -6.323 3.535 5.210 1.00 53.35 H new ATOM 0 HB3 CYS A 10 -6.071 3.329 3.488 1.00 53.35 H new ATOM 157 N ARG A 11 -8.418 4.158 2.671 1.00 34.12 N ATOM 158 CA ARG A 11 -9.755 3.725 2.283 1.00 14.13 C ATOM 159 C ARG A 11 -10.475 3.064 3.456 1.00 45.33 C ATOM 160 O ARG A 11 -11.360 3.660 4.069 1.00 53.24 O ATOM 161 CB ARG A 11 -9.678 2.752 1.105 1.00 1.41 C ATOM 162 CG ARG A 11 -9.116 3.375 -0.163 1.00 33.13 C ATOM 163 CD ARG A 11 -10.223 3.764 -1.130 1.00 13.01 C ATOM 164 NE ARG A 11 -9.784 4.778 -2.085 1.00 73.21 N ATOM 165 CZ ARG A 11 -10.529 5.202 -3.100 1.00 44.41 C ATOM 166 NH1 ARG A 11 -11.742 4.704 -3.291 1.00 33.23 N ATOM 167 NH2 ARG A 11 -10.059 6.128 -3.927 1.00 13.11 N ATOM 0 H ARG A 11 -7.675 3.845 2.046 1.00 34.12 H new ATOM 0 HA ARG A 11 -10.321 4.606 1.981 1.00 14.13 H new ATOM 0 HB2 ARG A 11 -9.058 1.901 1.387 1.00 1.41 H new ATOM 0 HB3 ARG A 11 -10.676 2.365 0.898 1.00 1.41 H new ATOM 0 HG2 ARG A 11 -8.528 4.257 0.093 1.00 33.13 H new ATOM 0 HG3 ARG A 11 -8.439 2.671 -0.647 1.00 33.13 H new ATOM 0 HD2 ARG A 11 -10.560 2.879 -1.670 1.00 13.01 H new ATOM 0 HD3 ARG A 11 -11.079 4.140 -0.569 1.00 13.01 H new ATOM 0 HE ARG A 11 -8.855 5.183 -1.966 1.00 73.21 H new ATOM 0 HH11 ARG A 11 -12.107 3.993 -2.658 1.00 33.23 H new ATOM 0 HH12 ARG A 11 -12.311 5.032 -4.071 1.00 33.23 H new ATOM 0 HH21 ARG A 11 -9.126 6.514 -3.783 1.00 13.11 H new ATOM 0 HH22 ARG A 11 -10.631 6.453 -4.706 1.00 13.11 H new ATOM 181 N TRP A 12 -10.088 1.831 3.761 1.00 44.21 N ATOM 182 CA TRP A 12 -10.696 1.089 4.860 1.00 41.35 C ATOM 183 C TRP A 12 -9.957 -0.221 5.107 1.00 62.14 C ATOM 184 O TRP A 12 -9.692 -0.980 4.176 1.00 64.25 O ATOM 185 CB TRP A 12 -12.169 0.809 4.559 1.00 53.41 C ATOM 186 CG TRP A 12 -13.110 1.679 5.336 1.00 1.55 C ATOM 187 CD1 TRP A 12 -14.065 2.513 4.828 1.00 2.12 C ATOM 188 CD2 TRP A 12 -13.184 1.803 6.761 1.00 62.30 C ATOM 189 NE1 TRP A 12 -14.728 3.147 5.851 1.00 1.31 N ATOM 190 CE2 TRP A 12 -14.207 2.728 7.046 1.00 21.05 C ATOM 191 CE3 TRP A 12 -12.487 1.220 7.823 1.00 51.10 C ATOM 192 CZ2 TRP A 12 -14.547 3.083 8.349 1.00 22.12 C ATOM 193 CZ3 TRP A 12 -12.825 1.574 9.115 1.00 35.33 C ATOM 194 CH2 TRP A 12 -13.848 2.497 9.370 1.00 51.23 C ATOM 0 H TRP A 12 -9.356 1.324 3.263 1.00 44.21 H new ATOM 0 HA TRP A 12 -10.626 1.699 5.761 1.00 41.35 H new ATOM 0 HB2 TRP A 12 -12.348 0.953 3.494 1.00 53.41 H new ATOM 0 HB3 TRP A 12 -12.385 -0.236 4.780 1.00 53.41 H new ATOM 0 HD1 TRP A 12 -14.269 2.653 3.777 1.00 2.12 H new ATOM 0 HE1 TRP A 12 -15.486 3.821 5.738 1.00 1.31 H new ATOM 0 HE3 TRP A 12 -11.699 0.506 7.637 1.00 51.10 H new ATOM 0 HZ2 TRP A 12 -15.334 3.795 8.547 1.00 22.12 H new ATOM 0 HZ3 TRP A 12 -12.291 1.131 9.943 1.00 35.33 H new ATOM 0 HH2 TRP A 12 -14.090 2.751 10.392 1.00 51.23 H new ATOM 205 N GLY A 13 -9.627 -0.481 6.368 1.00 4.02 N ATOM 206 CA GLY A 13 -8.921 -1.701 6.714 1.00 31.01 C ATOM 207 C GLY A 13 -7.683 -1.915 5.866 1.00 20.12 C ATOM 208 O GLY A 13 -7.364 -3.045 5.497 1.00 11.31 O ATOM 0 H GLY A 13 -9.836 0.131 7.156 1.00 4.02 H new ATOM 0 HA2 GLY A 13 -8.636 -1.666 7.765 1.00 31.01 H new ATOM 0 HA3 GLY A 13 -9.592 -2.552 6.594 1.00 31.01 H new ATOM 212 N GLU A 14 -6.985 -0.827 5.556 1.00 61.24 N ATOM 213 CA GLU A 14 -5.776 -0.902 4.743 1.00 32.12 C ATOM 214 C GLU A 14 -4.548 -1.142 5.616 1.00 1.23 C ATOM 215 O GLU A 14 -4.661 -1.329 6.828 1.00 53.31 O ATOM 216 CB GLU A 14 -5.598 0.385 3.935 1.00 63.20 C ATOM 217 CG GLU A 14 -6.642 0.570 2.847 1.00 14.33 C ATOM 218 CD GLU A 14 -6.072 0.390 1.454 1.00 50.22 C ATOM 219 OE1 GLU A 14 -5.502 -0.686 1.180 1.00 22.41 O ATOM 220 OE2 GLU A 14 -6.196 1.327 0.637 1.00 75.30 O ATOM 0 H GLU A 14 -7.235 0.116 5.855 1.00 61.24 H new ATOM 0 HA GLU A 14 -5.882 -1.742 4.056 1.00 32.12 H new ATOM 0 HB2 GLU A 14 -5.637 1.238 4.613 1.00 63.20 H new ATOM 0 HB3 GLU A 14 -4.608 0.384 3.480 1.00 63.20 H new ATOM 0 HG2 GLU A 14 -7.451 -0.145 3.000 1.00 14.33 H new ATOM 0 HG3 GLU A 14 -7.077 1.566 2.932 1.00 14.33 H new ATOM 227 N ARG A 15 -3.375 -1.136 4.992 1.00 41.44 N ATOM 228 CA ARG A 15 -2.125 -1.354 5.710 1.00 34.03 C ATOM 229 C ARG A 15 -0.994 -0.535 5.096 1.00 52.15 C ATOM 230 O ARG A 15 -1.080 -0.103 3.945 1.00 32.33 O ATOM 231 CB ARG A 15 -1.759 -2.839 5.699 1.00 65.12 C ATOM 232 CG ARG A 15 -0.504 -3.151 4.899 1.00 54.55 C ATOM 233 CD ARG A 15 -0.273 -4.649 4.786 1.00 73.33 C ATOM 234 NE ARG A 15 -1.468 -5.354 4.328 1.00 23.31 N ATOM 235 CZ ARG A 15 -1.671 -6.653 4.516 1.00 74.40 C ATOM 236 NH1 ARG A 15 -0.765 -7.385 5.149 1.00 32.24 N ATOM 237 NH2 ARG A 15 -2.784 -7.223 4.070 1.00 22.12 N ATOM 0 H ARG A 15 -3.264 -0.982 3.990 1.00 41.44 H new ATOM 0 HA ARG A 15 -2.266 -1.029 6.741 1.00 34.03 H new ATOM 0 HB2 ARG A 15 -1.619 -3.178 6.726 1.00 65.12 H new ATOM 0 HB3 ARG A 15 -2.593 -3.407 5.287 1.00 65.12 H new ATOM 0 HG2 ARG A 15 -0.590 -2.719 3.902 1.00 54.55 H new ATOM 0 HG3 ARG A 15 0.358 -2.684 5.375 1.00 54.55 H new ATOM 0 HD2 ARG A 15 0.547 -4.838 4.094 1.00 73.33 H new ATOM 0 HD3 ARG A 15 0.031 -5.043 5.756 1.00 73.33 H new ATOM 0 HE ARG A 15 -2.185 -4.820 3.837 1.00 23.31 H new ATOM 0 HH11 ARG A 15 0.091 -6.951 5.493 1.00 32.24 H new ATOM 0 HH12 ARG A 15 -0.924 -8.382 5.292 1.00 32.24 H new ATOM 0 HH21 ARG A 15 -3.484 -6.663 3.583 1.00 22.12 H new ATOM 0 HH22 ARG A 15 -2.939 -8.221 4.215 1.00 22.12 H new ATOM 251 N HIS A 16 0.065 -0.324 5.870 1.00 64.01 N ATOM 252 CA HIS A 16 1.214 0.443 5.402 1.00 40.44 C ATOM 253 C HIS A 16 2.137 -0.424 4.552 1.00 62.54 C ATOM 254 O HIS A 16 2.739 -1.378 5.046 1.00 14.34 O ATOM 255 CB HIS A 16 1.987 1.020 6.588 1.00 12.21 C ATOM 256 CG HIS A 16 3.314 1.603 6.212 1.00 23.21 C ATOM 257 ND1 HIS A 16 3.738 2.168 5.057 1.00 63.34 N flip ATOM 258 CD2 HIS A 16 4.389 1.645 7.075 1.00 21.04 C flip ATOM 259 CE1 HIS A 16 5.047 2.538 5.242 1.00 23.04 C flip ATOM 260 NE2 HIS A 16 5.416 2.212 6.467 1.00 45.31 N flip ATOM 0 H HIS A 16 0.152 -0.673 6.824 1.00 64.01 H new ATOM 0 HA HIS A 16 0.845 1.262 4.785 1.00 40.44 H new ATOM 0 HB2 HIS A 16 1.382 1.792 7.064 1.00 12.21 H new ATOM 0 HB3 HIS A 16 2.141 0.234 7.327 1.00 12.21 H new ATOM 0 HD2 HIS A 16 4.391 1.273 8.089 1.00 21.04 H new ATOM 0 HE1 HIS A 16 5.674 3.018 4.505 1.00 23.04 H new ATOM 0 HE2 HIS A 16 6.337 2.371 6.875 1.00 45.31 H new ATOM 268 N SER A 17 2.244 -0.088 3.270 1.00 34.10 N ATOM 269 CA SER A 17 3.090 -0.839 2.350 1.00 33.43 C ATOM 270 C SER A 17 3.881 0.102 1.448 1.00 42.41 C ATOM 271 O SER A 17 3.623 0.194 0.248 1.00 25.44 O ATOM 272 CB SER A 17 2.240 -1.785 1.499 1.00 21.23 C ATOM 273 OG SER A 17 3.047 -2.528 0.602 1.00 41.42 O ATOM 0 H SER A 17 1.755 0.700 2.845 1.00 34.10 H new ATOM 0 HA SER A 17 3.794 -1.426 2.940 1.00 33.43 H new ATOM 0 HB2 SER A 17 1.689 -2.466 2.147 1.00 21.23 H new ATOM 0 HB3 SER A 17 1.502 -1.211 0.939 1.00 21.23 H new ATOM 0 HG SER A 17 3.497 -1.916 -0.017 1.00 41.42 H new ATOM 279 N GLY A 18 4.847 0.802 2.035 1.00 4.03 N ATOM 280 CA GLY A 18 5.662 1.728 1.271 1.00 44.10 C ATOM 281 C GLY A 18 5.017 3.093 1.136 1.00 41.01 C ATOM 282 O GLY A 18 4.013 3.381 1.787 1.00 32.13 O ATOM 0 H GLY A 18 5.080 0.744 3.026 1.00 4.03 H new ATOM 0 HA2 GLY A 18 6.634 1.835 1.753 1.00 44.10 H new ATOM 0 HA3 GLY A 18 5.842 1.315 0.279 1.00 44.10 H new ATOM 286 N LYS A 19 5.595 3.938 0.289 1.00 64.21 N ATOM 287 CA LYS A 19 5.072 5.281 0.070 1.00 74.22 C ATOM 288 C LYS A 19 5.044 5.618 -1.418 1.00 1.15 C ATOM 289 O LYS A 19 5.386 6.731 -1.819 1.00 13.14 O ATOM 290 CB LYS A 19 5.919 6.310 0.821 1.00 30.14 C ATOM 291 CG LYS A 19 7.344 6.417 0.307 1.00 70.04 C ATOM 292 CD LYS A 19 8.325 6.694 1.434 1.00 53.03 C ATOM 293 CE LYS A 19 9.448 5.669 1.460 1.00 72.31 C ATOM 294 NZ LYS A 19 9.927 5.406 2.845 1.00 34.23 N ATOM 0 H LYS A 19 6.427 3.716 -0.258 1.00 64.21 H new ATOM 0 HA LYS A 19 4.051 5.313 0.451 1.00 74.22 H new ATOM 0 HB2 LYS A 19 5.440 7.286 0.746 1.00 30.14 H new ATOM 0 HB3 LYS A 19 5.942 6.047 1.879 1.00 30.14 H new ATOM 0 HG2 LYS A 19 7.620 5.491 -0.197 1.00 70.04 H new ATOM 0 HG3 LYS A 19 7.405 7.214 -0.434 1.00 70.04 H new ATOM 0 HD2 LYS A 19 8.745 7.693 1.315 1.00 53.03 H new ATOM 0 HD3 LYS A 19 7.798 6.682 2.388 1.00 53.03 H new ATOM 0 HE2 LYS A 19 9.100 4.738 1.013 1.00 72.31 H new ATOM 0 HE3 LYS A 19 10.278 6.025 0.850 1.00 72.31 H new ATOM 0 HZ1 LYS A 19 10.692 4.702 2.820 1.00 34.23 H new ATOM 0 HZ2 LYS A 19 10.283 6.289 3.263 1.00 34.23 H new ATOM 0 HZ3 LYS A 19 9.141 5.042 3.421 1.00 34.23 H new ATOM 308 N CYS A 20 4.634 4.651 -2.231 1.00 41.04 N ATOM 309 CA CYS A 20 4.561 4.845 -3.674 1.00 54.24 C ATOM 310 C CYS A 20 5.901 5.318 -4.229 1.00 4.24 C ATOM 311 O CYS A 20 6.884 5.428 -3.495 1.00 30.15 O ATOM 312 CB CYS A 20 3.468 5.859 -4.019 1.00 12.14 C ATOM 313 SG CYS A 20 2.440 5.388 -5.447 1.00 34.02 S ATOM 0 H CYS A 20 4.347 3.725 -1.915 1.00 41.04 H new ATOM 0 HA CYS A 20 4.316 3.886 -4.131 1.00 54.24 H new ATOM 0 HB2 CYS A 20 2.824 5.993 -3.150 1.00 12.14 H new ATOM 0 HB3 CYS A 20 3.933 6.823 -4.222 1.00 12.14 H new ATOM 318 N ILE A 21 5.933 5.597 -5.527 1.00 62.14 N ATOM 319 CA ILE A 21 7.152 6.059 -6.179 1.00 42.33 C ATOM 320 C ILE A 21 6.832 6.906 -7.407 1.00 20.43 C ATOM 321 O ILE A 21 6.955 6.444 -8.541 1.00 62.32 O ATOM 322 CB ILE A 21 8.047 4.879 -6.602 1.00 53.25 C ATOM 323 CG1 ILE A 21 7.218 3.818 -7.330 1.00 43.31 C ATOM 324 CG2 ILE A 21 8.739 4.278 -5.389 1.00 22.33 C ATOM 325 CD1 ILE A 21 7.958 3.149 -8.467 1.00 23.21 C ATOM 0 H ILE A 21 5.129 5.511 -6.148 1.00 62.14 H new ATOM 0 HA ILE A 21 7.688 6.667 -5.450 1.00 42.33 H new ATOM 0 HB ILE A 21 8.812 5.248 -7.286 1.00 53.25 H new ATOM 0 HG12 ILE A 21 6.905 3.058 -6.614 1.00 43.31 H new ATOM 0 HG13 ILE A 21 6.311 4.281 -7.720 1.00 43.31 H new ATOM 0 HG21 ILE A 21 9.368 3.445 -5.704 1.00 22.33 H new ATOM 0 HG22 ILE A 21 9.356 5.037 -4.909 1.00 22.33 H new ATOM 0 HG23 ILE A 21 7.990 3.920 -4.683 1.00 22.33 H new ATOM 0 HD11 ILE A 21 7.310 2.409 -8.937 1.00 23.21 H new ATOM 0 HD12 ILE A 21 8.247 3.898 -9.204 1.00 23.21 H new ATOM 0 HD13 ILE A 21 8.850 2.657 -8.081 1.00 23.21 H new ATOM 337 N ASP A 22 6.422 8.147 -7.172 1.00 4.33 N ATOM 338 CA ASP A 22 6.087 9.060 -8.258 1.00 42.33 C ATOM 339 C ASP A 22 5.868 10.475 -7.731 1.00 41.02 C ATOM 340 O ASP A 22 6.716 11.350 -7.904 1.00 64.41 O ATOM 341 CB ASP A 22 4.835 8.576 -8.992 1.00 3.42 C ATOM 342 CG ASP A 22 5.151 8.002 -10.359 1.00 11.31 C ATOM 343 OD1 ASP A 22 6.041 8.551 -11.042 1.00 14.44 O ATOM 344 OD2 ASP A 22 4.508 7.004 -10.747 1.00 14.33 O ATOM 0 H ASP A 22 6.314 8.544 -6.239 1.00 4.33 H new ATOM 0 HA ASP A 22 6.924 9.077 -8.956 1.00 42.33 H new ATOM 0 HB2 ASP A 22 4.335 7.818 -8.390 1.00 3.42 H new ATOM 0 HB3 ASP A 22 4.138 9.407 -9.102 1.00 3.42 H new ATOM 349 N GLN A 23 4.725 10.691 -7.089 1.00 54.42 N ATOM 350 CA GLN A 23 4.394 12.001 -6.539 1.00 30.41 C ATOM 351 C GLN A 23 5.308 12.345 -5.368 1.00 12.34 C ATOM 352 O GLN A 23 6.292 11.653 -5.109 1.00 65.34 O ATOM 353 CB GLN A 23 2.933 12.033 -6.088 1.00 13.41 C ATOM 354 CG GLN A 23 2.633 11.100 -4.926 1.00 63.54 C ATOM 355 CD GLN A 23 1.233 11.283 -4.376 1.00 74.43 C ATOM 356 OE1 GLN A 23 0.638 12.353 -4.505 1.00 13.11 O ATOM 357 NE2 GLN A 23 0.697 10.236 -3.759 1.00 2.02 N ATOM 0 H GLN A 23 4.013 9.977 -6.937 1.00 54.42 H new ATOM 0 HA GLN A 23 4.541 12.745 -7.322 1.00 30.41 H new ATOM 0 HB2 GLN A 23 2.672 13.052 -5.801 1.00 13.41 H new ATOM 0 HB3 GLN A 23 2.296 11.766 -6.931 1.00 13.41 H new ATOM 0 HG2 GLN A 23 2.759 10.068 -5.252 1.00 63.54 H new ATOM 0 HG3 GLN A 23 3.357 11.273 -4.130 1.00 63.54 H new ATOM 0 HE21 GLN A 23 1.226 9.368 -3.675 1.00 2.02 H new ATOM 0 HE22 GLN A 23 -0.244 10.300 -3.370 1.00 2.02 H new ATOM 366 N LYS A 24 4.976 13.421 -4.661 1.00 72.42 N ATOM 367 CA LYS A 24 5.765 13.858 -3.516 1.00 43.10 C ATOM 368 C LYS A 24 5.188 13.309 -2.215 1.00 60.34 C ATOM 369 O LYS A 24 4.309 12.448 -2.230 1.00 11.23 O ATOM 370 CB LYS A 24 5.815 15.387 -3.459 1.00 21.41 C ATOM 371 CG LYS A 24 6.122 16.036 -4.797 1.00 65.43 C ATOM 372 CD LYS A 24 6.888 17.337 -4.623 1.00 70.44 C ATOM 373 CE LYS A 24 8.080 17.412 -5.565 1.00 53.25 C ATOM 374 NZ LYS A 24 7.744 18.127 -6.828 1.00 42.10 N ATOM 0 H LYS A 24 4.165 14.006 -4.862 1.00 72.42 H new ATOM 0 HA LYS A 24 6.777 13.471 -3.635 1.00 43.10 H new ATOM 0 HB2 LYS A 24 4.858 15.760 -3.095 1.00 21.41 H new ATOM 0 HB3 LYS A 24 6.571 15.691 -2.735 1.00 21.41 H new ATOM 0 HG2 LYS A 24 6.705 15.349 -5.411 1.00 65.43 H new ATOM 0 HG3 LYS A 24 5.191 16.229 -5.331 1.00 65.43 H new ATOM 0 HD2 LYS A 24 6.222 18.180 -4.809 1.00 70.44 H new ATOM 0 HD3 LYS A 24 7.232 17.423 -3.592 1.00 70.44 H new ATOM 0 HE2 LYS A 24 8.905 17.922 -5.067 1.00 53.25 H new ATOM 0 HE3 LYS A 24 8.423 16.404 -5.798 1.00 53.25 H new ATOM 0 HZ1 LYS A 24 8.582 18.157 -7.443 1.00 42.10 H new ATOM 0 HZ2 LYS A 24 6.974 17.626 -7.316 1.00 42.10 H new ATOM 0 HZ3 LYS A 24 7.441 19.097 -6.608 1.00 42.10 H new ATOM 388 N GLY A 25 5.688 13.813 -1.091 1.00 51.43 N ATOM 389 CA GLY A 25 5.209 13.362 0.202 1.00 54.10 C ATOM 390 C GLY A 25 6.323 13.236 1.222 1.00 41.43 C ATOM 391 O GLY A 25 7.229 12.418 1.063 1.00 2.43 O ATOM 0 H GLY A 25 6.417 14.526 -1.053 1.00 51.43 H new ATOM 0 HA2 GLY A 25 4.459 14.061 0.572 1.00 54.10 H new ATOM 0 HA3 GLY A 25 4.716 12.397 0.087 1.00 54.10 H new ATOM 395 N SER A 26 6.258 14.050 2.271 1.00 51.03 N ATOM 396 CA SER A 26 7.273 14.030 3.318 1.00 55.12 C ATOM 397 C SER A 26 7.482 12.614 3.844 1.00 24.41 C ATOM 398 O SER A 26 8.469 11.955 3.514 1.00 5.12 O ATOM 399 CB SER A 26 6.870 14.958 4.465 1.00 13.34 C ATOM 400 OG SER A 26 7.256 16.295 4.199 1.00 3.45 O ATOM 0 H SER A 26 5.513 14.731 2.418 1.00 51.03 H new ATOM 0 HA SER A 26 8.211 14.381 2.888 1.00 55.12 H new ATOM 0 HB2 SER A 26 5.791 14.910 4.614 1.00 13.34 H new ATOM 0 HB3 SER A 26 7.335 14.619 5.391 1.00 13.34 H new ATOM 0 HG SER A 26 6.986 16.868 4.946 1.00 3.45 H new ATOM 406 N THR A 27 6.546 12.149 4.666 1.00 50.52 N ATOM 407 CA THR A 27 6.627 10.812 5.240 1.00 42.33 C ATOM 408 C THR A 27 5.333 10.039 5.016 1.00 31.53 C ATOM 409 O THR A 27 5.016 9.112 5.762 1.00 35.05 O ATOM 410 CB THR A 27 6.926 10.866 6.750 1.00 55.31 C ATOM 411 OG1 THR A 27 7.382 12.174 7.113 1.00 53.23 O ATOM 412 CG2 THR A 27 7.975 9.834 7.131 1.00 24.54 C ATOM 0 H THR A 27 5.722 12.680 4.949 1.00 50.52 H new ATOM 0 HA THR A 27 7.445 10.299 4.734 1.00 42.33 H new ATOM 0 HB THR A 27 6.005 10.641 7.288 1.00 55.31 H new ATOM 0 HG1 THR A 27 7.568 12.200 8.075 1.00 53.23 H new ATOM 0 HG21 THR A 27 8.170 9.891 8.202 1.00 24.54 H new ATOM 0 HG22 THR A 27 7.612 8.837 6.881 1.00 24.54 H new ATOM 0 HG23 THR A 27 8.896 10.033 6.584 1.00 24.54 H new ATOM 420 N TYR A 28 4.590 10.424 3.985 1.00 35.31 N ATOM 421 CA TYR A 28 3.328 9.767 3.665 1.00 60.44 C ATOM 422 C TYR A 28 3.552 8.298 3.315 1.00 12.43 C ATOM 423 O TYR A 28 4.683 7.868 3.090 1.00 20.23 O ATOM 424 CB TYR A 28 2.639 10.480 2.500 1.00 34.03 C ATOM 425 CG TYR A 28 3.208 10.120 1.147 1.00 71.52 C ATOM 426 CD1 TYR A 28 4.578 9.978 0.963 1.00 74.45 C ATOM 427 CD2 TYR A 28 2.376 9.920 0.052 1.00 34.12 C ATOM 428 CE1 TYR A 28 5.102 9.649 -0.273 1.00 10.15 C ATOM 429 CE2 TYR A 28 2.891 9.590 -1.186 1.00 60.23 C ATOM 430 CZ TYR A 28 4.255 9.456 -1.344 1.00 12.13 C ATOM 431 OH TYR A 28 4.773 9.127 -2.575 1.00 41.44 O ATOM 0 H TYR A 28 4.839 11.188 3.356 1.00 35.31 H new ATOM 0 HA TYR A 28 2.687 9.819 4.545 1.00 60.44 H new ATOM 0 HB2 TYR A 28 1.576 10.237 2.514 1.00 34.03 H new ATOM 0 HB3 TYR A 28 2.722 11.557 2.644 1.00 34.03 H new ATOM 0 HD1 TYR A 28 5.244 10.127 1.800 1.00 74.45 H new ATOM 0 HD2 TYR A 28 1.308 10.025 0.171 1.00 34.12 H new ATOM 0 HE1 TYR A 28 6.169 9.544 -0.399 1.00 10.15 H new ATOM 0 HE2 TYR A 28 2.230 9.438 -2.026 1.00 60.23 H new ATOM 0 HH TYR A 28 4.847 8.153 -2.649 1.00 41.44 H new ATOM 441 N ARG A 29 2.465 7.535 3.271 1.00 12.13 N ATOM 442 CA ARG A 29 2.541 6.115 2.950 1.00 12.11 C ATOM 443 C ARG A 29 1.248 5.636 2.296 1.00 64.32 C ATOM 444 O ARG A 29 0.152 5.936 2.769 1.00 14.22 O ATOM 445 CB ARG A 29 2.819 5.299 4.214 1.00 74.33 C ATOM 446 CG ARG A 29 1.926 5.669 5.387 1.00 54.14 C ATOM 447 CD ARG A 29 2.539 6.780 6.225 1.00 52.15 C ATOM 448 NE ARG A 29 1.524 7.673 6.776 1.00 13.42 N ATOM 449 CZ ARG A 29 1.729 8.460 7.827 1.00 64.31 C ATOM 450 NH1 ARG A 29 2.907 8.463 8.436 1.00 41.30 N ATOM 451 NH2 ARG A 29 0.756 9.245 8.270 1.00 0.01 N ATOM 0 H ARG A 29 1.521 7.876 3.454 1.00 12.13 H new ATOM 0 HA ARG A 29 3.360 5.970 2.245 1.00 12.11 H new ATOM 0 HB2 ARG A 29 2.689 4.241 3.989 1.00 74.33 H new ATOM 0 HB3 ARG A 29 3.861 5.437 4.504 1.00 74.33 H new ATOM 0 HG2 ARG A 29 0.951 5.986 5.017 1.00 54.14 H new ATOM 0 HG3 ARG A 29 1.760 4.791 6.011 1.00 54.14 H new ATOM 0 HD2 ARG A 29 3.118 6.343 7.039 1.00 52.15 H new ATOM 0 HD3 ARG A 29 3.234 7.355 5.613 1.00 52.15 H new ATOM 0 HE ARG A 29 0.607 7.694 6.330 1.00 13.42 H new ATOM 0 HH11 ARG A 29 3.657 7.861 8.098 1.00 41.30 H new ATOM 0 HH12 ARG A 29 3.063 9.068 9.243 1.00 41.30 H new ATOM 0 HH21 ARG A 29 -0.151 9.245 7.804 1.00 0.01 H new ATOM 0 HH22 ARG A 29 0.915 9.848 9.077 1.00 0.01 H new ATOM 465 N LEU A 30 1.385 4.890 1.205 1.00 30.42 N ATOM 466 CA LEU A 30 0.228 4.369 0.485 1.00 64.51 C ATOM 467 C LEU A 30 -0.647 3.520 1.401 1.00 20.25 C ATOM 468 O LEU A 30 -0.398 3.427 2.604 1.00 55.10 O ATOM 469 CB LEU A 30 0.683 3.539 -0.717 1.00 72.31 C ATOM 470 CG LEU A 30 1.654 2.397 -0.416 1.00 5.13 C ATOM 471 CD1 LEU A 30 0.902 1.174 0.086 1.00 3.43 C ATOM 472 CD2 LEU A 30 2.472 2.052 -1.652 1.00 51.10 C ATOM 0 H LEU A 30 2.285 4.633 0.800 1.00 30.42 H new ATOM 0 HA LEU A 30 -0.361 5.216 0.133 1.00 64.51 H new ATOM 0 HB2 LEU A 30 -0.200 3.120 -1.199 1.00 72.31 H new ATOM 0 HB3 LEU A 30 1.153 4.208 -1.438 1.00 72.31 H new ATOM 0 HG LEU A 30 2.337 2.725 0.368 1.00 5.13 H new ATOM 0 HD11 LEU A 30 1.610 0.372 0.295 1.00 3.43 H new ATOM 0 HD12 LEU A 30 0.362 1.428 0.998 1.00 3.43 H new ATOM 0 HD13 LEU A 30 0.194 0.844 -0.675 1.00 3.43 H new ATOM 0 HD21 LEU A 30 3.158 1.237 -1.419 1.00 51.10 H new ATOM 0 HD22 LEU A 30 1.804 1.745 -2.457 1.00 51.10 H new ATOM 0 HD23 LEU A 30 3.041 2.926 -1.967 1.00 51.10 H new ATOM 484 N CYS A 31 -1.671 2.900 0.825 1.00 14.12 N ATOM 485 CA CYS A 31 -2.583 2.057 1.589 1.00 74.03 C ATOM 486 C CYS A 31 -2.875 0.757 0.844 1.00 4.12 C ATOM 487 O CYS A 31 -3.704 0.722 -0.066 1.00 3.05 O ATOM 488 CB CYS A 31 -3.890 2.803 1.865 1.00 32.02 C ATOM 489 SG CYS A 31 -3.661 4.498 2.493 1.00 65.33 S ATOM 0 H CYS A 31 -1.890 2.965 -0.169 1.00 14.12 H new ATOM 0 HA CYS A 31 -2.104 1.813 2.537 1.00 74.03 H new ATOM 0 HB2 CYS A 31 -4.474 2.844 0.945 1.00 32.02 H new ATOM 0 HB3 CYS A 31 -4.474 2.235 2.589 1.00 32.02 H new ATOM 494 N CYS A 32 -2.187 -0.310 1.237 1.00 11.12 N ATOM 495 CA CYS A 32 -2.370 -1.612 0.608 1.00 34.45 C ATOM 496 C CYS A 32 -2.920 -2.626 1.608 1.00 63.41 C ATOM 497 O CYS A 32 -2.604 -2.575 2.797 1.00 70.12 O ATOM 498 CB CYS A 32 -1.045 -2.115 0.032 1.00 53.33 C ATOM 499 SG CYS A 32 -1.129 -2.580 -1.728 1.00 0.14 S ATOM 0 H CYS A 32 -1.497 -0.298 1.989 1.00 11.12 H new ATOM 0 HA CYS A 32 -3.090 -1.498 -0.202 1.00 34.45 H new ATOM 0 HB2 CYS A 32 -0.289 -1.340 0.156 1.00 53.33 H new ATOM 0 HB3 CYS A 32 -0.714 -2.978 0.610 1.00 53.33 H new ATOM 504 N ARG A 33 -3.743 -3.547 1.117 1.00 42.14 N ATOM 505 CA ARG A 33 -4.337 -4.572 1.966 1.00 22.21 C ATOM 506 C ARG A 33 -4.156 -5.958 1.353 1.00 10.22 C ATOM 507 O ARG A 33 -5.129 -6.618 0.989 1.00 32.22 O ATOM 508 CB ARG A 33 -5.825 -4.288 2.181 1.00 45.23 C ATOM 509 CG ARG A 33 -6.495 -5.249 3.149 1.00 42.12 C ATOM 510 CD ARG A 33 -7.787 -5.808 2.574 1.00 11.52 C ATOM 511 NE ARG A 33 -8.470 -6.689 3.518 1.00 41.42 N ATOM 512 CZ ARG A 33 -8.037 -7.904 3.834 1.00 70.04 C ATOM 513 NH1 ARG A 33 -6.928 -8.380 3.284 1.00 11.13 N ATOM 514 NH2 ARG A 33 -8.714 -8.646 4.701 1.00 5.01 N ATOM 0 H ARG A 33 -4.013 -3.604 0.135 1.00 42.14 H new ATOM 0 HA ARG A 33 -3.827 -4.550 2.929 1.00 22.21 H new ATOM 0 HB2 ARG A 33 -5.942 -3.270 2.553 1.00 45.23 H new ATOM 0 HB3 ARG A 33 -6.338 -4.337 1.220 1.00 45.23 H new ATOM 0 HG2 ARG A 33 -5.814 -6.068 3.380 1.00 42.12 H new ATOM 0 HG3 ARG A 33 -6.705 -4.735 4.087 1.00 42.12 H new ATOM 0 HD2 ARG A 33 -8.449 -4.985 2.302 1.00 11.52 H new ATOM 0 HD3 ARG A 33 -7.568 -6.357 1.658 1.00 11.52 H new ATOM 0 HE ARG A 33 -9.326 -6.353 3.959 1.00 41.42 H new ATOM 0 HH11 ARG A 33 -6.406 -7.813 2.617 1.00 11.13 H new ATOM 0 HH12 ARG A 33 -6.598 -9.314 3.528 1.00 11.13 H new ATOM 0 HH21 ARG A 33 -9.568 -8.283 5.125 1.00 5.01 H new ATOM 0 HH22 ARG A 33 -8.381 -9.579 4.943 1.00 5.01 H new ATOM 528 N ARG A 34 -2.905 -6.391 1.242 1.00 64.21 N ATOM 529 CA ARG A 34 -2.596 -7.697 0.672 1.00 73.15 C ATOM 530 C ARG A 34 -3.187 -8.816 1.525 1.00 63.04 C ATOM 531 O ARG A 34 -3.140 -9.987 1.148 1.00 23.33 O ATOM 532 CB ARG A 34 -1.082 -7.879 0.549 1.00 33.22 C ATOM 533 CG ARG A 34 -0.482 -7.189 -0.665 1.00 20.03 C ATOM 534 CD ARG A 34 1.037 -7.154 -0.591 1.00 55.23 C ATOM 535 NE ARG A 34 1.655 -7.518 -1.863 1.00 74.52 N ATOM 536 CZ ARG A 34 2.909 -7.940 -1.976 1.00 61.54 C ATOM 537 NH1 ARG A 34 3.675 -8.051 -0.900 1.00 14.25 N ATOM 538 NH2 ARG A 34 3.400 -8.254 -3.169 1.00 10.43 N ATOM 0 H ARG A 34 -2.089 -5.857 1.539 1.00 64.21 H new ATOM 0 HA ARG A 34 -3.042 -7.747 -0.321 1.00 73.15 H new ATOM 0 HB2 ARG A 34 -0.604 -7.493 1.449 1.00 33.22 H new ATOM 0 HB3 ARG A 34 -0.855 -8.944 0.500 1.00 33.22 H new ATOM 0 HG2 ARG A 34 -0.791 -7.710 -1.571 1.00 20.03 H new ATOM 0 HG3 ARG A 34 -0.868 -6.172 -0.735 1.00 20.03 H new ATOM 0 HD2 ARG A 34 1.363 -6.155 -0.302 1.00 55.23 H new ATOM 0 HD3 ARG A 34 1.378 -7.838 0.187 1.00 55.23 H new ATOM 0 HE ARG A 34 1.093 -7.444 -2.711 1.00 74.52 H new ATOM 0 HH11 ARG A 34 3.302 -7.812 0.019 1.00 14.25 H new ATOM 0 HH12 ARG A 34 4.638 -8.376 -0.991 1.00 14.25 H new ATOM 0 HH21 ARG A 34 2.814 -8.171 -4.000 1.00 10.43 H new ATOM 0 HH22 ARG A 34 4.363 -8.578 -3.255 1.00 10.43 H new TER 552 ARG A 34