USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -1.71! (180deg=-3.37!) USER MOD Single : A 10 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.9!) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.172 (180deg=-1.17) USER MOD Single : A 20 THR OG1 : rot -155:sc= -0.102 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.936 10.039 -0.284 1.00 0.00 N ATOM 2 CA GLY A 1 -11.185 9.272 -0.552 1.00 0.00 C ATOM 3 C GLY A 1 -10.910 7.829 -0.926 1.00 0.00 C ATOM 4 O GLY A 1 -11.020 6.931 -0.091 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.178 11.019 -0.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.419 9.597 0.503 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.338 10.037 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.822 9.300 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.738 9.754 -1.358 1.00 0.00 H new ATOM 10 N LEU A 2 -10.553 7.606 -2.188 1.00 0.00 N ATOM 11 CA LEU A 2 -10.263 6.262 -2.674 1.00 0.00 C ATOM 12 C LEU A 2 -9.243 6.305 -3.806 1.00 0.00 C ATOM 13 O LEU A 2 -9.604 6.392 -4.980 1.00 0.00 O ATOM 14 CB LEU A 2 -11.547 5.582 -3.151 1.00 0.00 C ATOM 15 CG LEU A 2 -11.390 4.118 -3.571 1.00 0.00 C ATOM 16 CD1 LEU A 2 -11.022 3.254 -2.372 1.00 0.00 C ATOM 17 CD2 LEU A 2 -12.668 3.609 -4.224 1.00 0.00 C ATOM 0 H LEU A 2 -10.458 8.339 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.841 5.685 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.287 5.637 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.946 6.145 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.583 4.055 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.915 2.217 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.081 3.603 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.807 3.323 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.537 2.567 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.494 3.687 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.889 4.208 -5.107 1.00 0.00 H new ATOM 29 N LEU A 3 -7.965 6.244 -3.444 1.00 0.00 N ATOM 30 CA LEU A 3 -6.889 6.279 -4.426 1.00 0.00 C ATOM 31 C LEU A 3 -5.690 5.461 -3.952 1.00 0.00 C ATOM 32 O LEU A 3 -4.543 5.891 -4.072 1.00 0.00 O ATOM 33 CB LEU A 3 -6.463 7.724 -4.706 1.00 0.00 C ATOM 34 CG LEU A 3 -6.016 8.528 -3.481 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.140 9.696 -3.905 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.222 9.028 -2.699 1.00 0.00 C ATOM 0 H LEU A 3 -7.650 6.170 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.263 5.837 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.646 7.710 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.296 8.245 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.434 7.872 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.831 10.257 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.258 9.320 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.702 10.349 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.884 9.597 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.830 9.668 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.817 8.178 -2.365 1.00 0.00 H new ATOM 48 N CYS A 4 -5.967 4.277 -3.413 1.00 0.00 N ATOM 49 CA CYS A 4 -4.915 3.396 -2.922 1.00 0.00 C ATOM 50 C CYS A 4 -4.358 2.543 -4.058 1.00 0.00 C ATOM 51 O CYS A 4 -5.084 2.172 -4.980 1.00 0.00 O ATOM 52 CB CYS A 4 -5.454 2.501 -1.805 1.00 0.00 C ATOM 53 SG CYS A 4 -6.236 3.414 -0.433 1.00 0.00 S ATOM 0 H CYS A 4 -6.911 3.907 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.108 4.010 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.182 1.808 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.636 1.900 -1.408 1.00 0.00 H new ATOM 58 N TYR A 5 -3.066 2.234 -3.984 1.00 0.00 N ATOM 59 CA TYR A 5 -2.414 1.429 -5.013 1.00 0.00 C ATOM 60 C TYR A 5 -1.931 0.096 -4.450 1.00 0.00 C ATOM 61 O TYR A 5 -1.532 0.005 -3.289 1.00 0.00 O ATOM 62 CB TYR A 5 -1.237 2.196 -5.619 1.00 0.00 C ATOM 63 CG TYR A 5 -1.629 3.514 -6.249 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.494 3.557 -7.336 1.00 0.00 C ATOM 65 CD2 TYR A 5 -1.131 4.716 -5.760 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.853 4.758 -7.916 1.00 0.00 C ATOM 67 CE2 TYR A 5 -1.486 5.922 -6.335 1.00 0.00 C ATOM 68 CZ TYR A 5 -2.346 5.938 -7.412 1.00 0.00 C ATOM 69 OH TYR A 5 -2.702 7.137 -7.986 1.00 0.00 O ATOM 0 H TYR A 5 -2.452 2.528 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.149 1.224 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.497 2.381 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.758 1.572 -6.373 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.892 2.635 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.456 4.708 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.527 4.773 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.091 6.847 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.259 7.871 -7.511 1.00 0.00 H new ATOM 79 N CYS A 6 -1.977 -0.937 -5.287 1.00 0.00 N ATOM 80 CA CYS A 6 -1.543 -2.273 -4.892 1.00 0.00 C ATOM 81 C CYS A 6 -0.070 -2.496 -5.227 1.00 0.00 C ATOM 82 O CYS A 6 0.375 -2.196 -6.335 1.00 0.00 O ATOM 83 CB CYS A 6 -2.400 -3.327 -5.596 1.00 0.00 C ATOM 84 SG CYS A 6 -1.611 -4.963 -5.728 1.00 0.00 S ATOM 0 H CYS A 6 -2.312 -0.873 -6.248 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.665 -2.365 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.342 -3.432 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.644 -2.972 -6.597 1.00 0.00 H new ATOM 89 N ARG A 7 0.680 -3.026 -4.263 1.00 0.00 N ATOM 90 CA ARG A 7 2.103 -3.296 -4.457 1.00 0.00 C ATOM 91 C ARG A 7 2.540 -4.510 -3.641 1.00 0.00 C ATOM 92 O ARG A 7 1.835 -4.940 -2.730 1.00 0.00 O ATOM 93 CB ARG A 7 2.944 -2.079 -4.062 1.00 0.00 C ATOM 94 CG ARG A 7 2.880 -0.934 -5.059 1.00 0.00 C ATOM 95 CD ARG A 7 4.077 -0.007 -4.911 1.00 0.00 C ATOM 96 NE ARG A 7 3.919 1.224 -5.679 1.00 0.00 N ATOM 97 CZ ARG A 7 4.351 1.377 -6.928 1.00 0.00 C ATOM 98 NH1 ARG A 7 4.959 0.376 -7.550 1.00 0.00 N ATOM 99 NH2 ARG A 7 4.172 2.531 -7.555 1.00 0.00 N ATOM 0 H ARG A 7 0.326 -3.277 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 7 2.261 -3.507 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.609 -1.719 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.982 -2.390 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.849 -1.333 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.959 -0.370 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.216 0.239 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.978 -0.525 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 7 3.450 2.012 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.096 -0.514 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.289 0.496 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.703 3.302 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.503 2.648 -8.513 1.00 0.00 H new ATOM 113 N LYS A 8 3.706 -5.059 -3.976 1.00 0.00 N ATOM 114 CA LYS A 8 4.234 -6.223 -3.270 1.00 0.00 C ATOM 115 C LYS A 8 5.606 -5.921 -2.674 1.00 0.00 C ATOM 116 O LYS A 8 6.360 -5.108 -3.209 1.00 0.00 O ATOM 117 CB LYS A 8 4.332 -7.424 -4.214 1.00 0.00 C ATOM 118 CG LYS A 8 4.658 -8.730 -3.504 1.00 0.00 C ATOM 119 CD LYS A 8 4.740 -9.897 -4.478 1.00 0.00 C ATOM 120 CE LYS A 8 6.106 -9.980 -5.145 1.00 0.00 C ATOM 121 NZ LYS A 8 6.373 -8.807 -6.022 1.00 0.00 N ATOM 0 H LYS A 8 4.301 -4.717 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 8 3.547 -6.464 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.388 -7.535 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.099 -7.226 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.606 -8.630 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.895 -8.936 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.537 -10.828 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.969 -9.789 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.879 -10.043 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.166 -10.894 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.968 -9.101 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.473 -8.429 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.865 -8.071 -5.477 1.00 0.00 H new ATOM 135 N GLY A 9 5.924 -6.582 -1.564 1.00 0.00 N ATOM 136 CA GLY A 9 7.206 -6.372 -0.917 1.00 0.00 C ATOM 137 C GLY A 9 7.191 -5.184 0.025 1.00 0.00 C ATOM 138 O GLY A 9 6.982 -5.340 1.228 1.00 0.00 O ATOM 0 H GLY A 9 5.317 -7.259 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.481 -7.269 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.973 -6.220 -1.677 1.00 0.00 H new ATOM 142 N HIS A 10 7.415 -3.995 -0.526 1.00 0.00 N ATOM 143 CA HIS A 10 7.425 -2.773 0.269 1.00 0.00 C ATOM 144 C HIS A 10 7.300 -1.542 -0.624 1.00 0.00 C ATOM 145 O HIS A 10 8.048 -1.384 -1.589 1.00 0.00 O ATOM 146 CB HIS A 10 8.702 -2.691 1.104 1.00 0.00 C ATOM 147 CG HIS A 10 9.941 -2.908 0.301 1.00 0.00 C ATOM 148 ND1 HIS A 10 10.146 -4.036 -0.457 1.00 0.00 N ATOM 149 CD2 HIS A 10 11.036 -2.132 0.126 1.00 0.00 C ATOM 150 CE1 HIS A 10 11.312 -3.949 -1.066 1.00 0.00 C ATOM 151 NE2 HIS A 10 11.874 -2.804 -0.729 1.00 0.00 N ATOM 0 H HIS A 10 7.592 -3.852 -1.520 1.00 0.00 H new ATOM 0 HA HIS A 10 6.567 -2.798 0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.753 -1.713 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.657 -3.434 1.900 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.217 -1.166 0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.735 -4.690 -1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 10 12.783 -2.472 -1.051 1.00 0.00 H new ATOM 160 N CYS A 11 6.349 -0.675 -0.294 1.00 0.00 N ATOM 161 CA CYS A 11 6.121 0.542 -1.065 1.00 0.00 C ATOM 162 C CYS A 11 7.149 1.614 -0.724 1.00 0.00 C ATOM 163 O CYS A 11 7.927 1.467 0.219 1.00 0.00 O ATOM 164 CB CYS A 11 4.717 1.083 -0.800 1.00 0.00 C ATOM 165 SG CYS A 11 3.380 0.047 -1.471 1.00 0.00 S ATOM 0 H CYS A 11 5.723 -0.792 0.503 1.00 0.00 H new ATOM 0 HA CYS A 11 6.221 0.288 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.577 1.186 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.638 2.082 -1.229 1.00 0.00 H new ATOM 170 N LYS A 12 7.140 2.693 -1.500 1.00 0.00 N ATOM 171 CA LYS A 12 8.063 3.800 -1.282 1.00 0.00 C ATOM 172 C LYS A 12 7.492 4.779 -0.268 1.00 0.00 C ATOM 173 O LYS A 12 8.228 5.549 0.349 1.00 0.00 O ATOM 174 CB LYS A 12 8.352 4.521 -2.599 1.00 0.00 C ATOM 175 CG LYS A 12 7.109 5.075 -3.276 1.00 0.00 C ATOM 176 CD LYS A 12 7.455 5.822 -4.554 1.00 0.00 C ATOM 177 CE LYS A 12 6.210 6.355 -5.245 1.00 0.00 C ATOM 178 NZ LYS A 12 5.421 7.250 -4.355 1.00 0.00 N ATOM 0 H LYS A 12 6.503 2.824 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 12 8.996 3.395 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.048 5.339 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.849 3.830 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.424 4.259 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.589 5.745 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.126 6.649 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.991 5.157 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.499 6.900 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.587 5.520 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.832 7.883 -4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.811 6.676 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.068 7.817 -3.771 1.00 0.00 H new ATOM 192 N ARG A 13 6.175 4.739 -0.101 1.00 0.00 N ATOM 193 CA ARG A 13 5.497 5.620 0.838 1.00 0.00 C ATOM 194 C ARG A 13 4.016 5.264 0.947 1.00 0.00 C ATOM 195 O ARG A 13 3.324 5.122 -0.062 1.00 0.00 O ATOM 196 CB ARG A 13 5.663 7.077 0.401 1.00 0.00 C ATOM 197 CG ARG A 13 5.018 7.394 -0.939 1.00 0.00 C ATOM 198 CD ARG A 13 5.372 8.794 -1.412 1.00 0.00 C ATOM 199 NE ARG A 13 4.889 9.821 -0.493 1.00 0.00 N ATOM 200 CZ ARG A 13 5.322 11.079 -0.498 1.00 0.00 C ATOM 201 NH1 ARG A 13 6.254 11.462 -1.361 1.00 0.00 N ATOM 202 NH2 ARG A 13 4.822 11.957 0.362 1.00 0.00 N ATOM 0 H ARG A 13 5.556 4.104 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 13 5.949 5.490 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.233 7.726 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.726 7.311 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.343 6.665 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.935 7.301 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.454 8.879 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.944 8.962 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 13 4.180 9.559 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.642 10.791 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.583 12.427 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.105 11.668 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.154 12.921 0.358 1.00 0.00 H new ATOM 216 N GLY A 14 3.539 5.112 2.179 1.00 0.00 N ATOM 217 CA GLY A 14 2.145 4.773 2.397 1.00 0.00 C ATOM 218 C GLY A 14 1.931 3.286 2.608 1.00 0.00 C ATOM 219 O GLY A 14 0.828 2.777 2.406 1.00 0.00 O ATOM 0 H GLY A 14 4.093 5.218 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.775 5.316 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.557 5.103 1.541 1.00 0.00 H new ATOM 223 N GLU A 15 2.991 2.587 3.011 1.00 0.00 N ATOM 224 CA GLU A 15 2.916 1.149 3.254 1.00 0.00 C ATOM 225 C GLU A 15 1.864 0.831 4.312 1.00 0.00 C ATOM 226 O GLU A 15 1.985 1.249 5.464 1.00 0.00 O ATOM 227 CB GLU A 15 4.279 0.616 3.700 1.00 0.00 C ATOM 228 CG GLU A 15 5.359 0.742 2.640 1.00 0.00 C ATOM 229 CD GLU A 15 6.753 0.526 3.196 1.00 0.00 C ATOM 230 OE1 GLU A 15 7.354 1.504 3.688 1.00 0.00 O ATOM 231 OE2 GLU A 15 7.244 -0.622 3.139 1.00 0.00 O ATOM 0 H GLU A 15 3.912 2.994 3.176 1.00 0.00 H new ATOM 0 HA GLU A 15 2.628 0.662 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.595 1.154 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.176 -0.433 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.172 0.017 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.303 1.731 2.186 1.00 0.00 H new ATOM 238 N ARG A 16 0.832 0.089 3.917 1.00 0.00 N ATOM 239 CA ARG A 16 -0.240 -0.271 4.839 1.00 0.00 C ATOM 240 C ARG A 16 -0.709 -1.709 4.623 1.00 0.00 C ATOM 241 O ARG A 16 -0.342 -2.363 3.643 1.00 0.00 O ATOM 242 CB ARG A 16 -1.423 0.686 4.671 1.00 0.00 C ATOM 243 CG ARG A 16 -1.113 2.121 5.070 1.00 0.00 C ATOM 244 CD ARG A 16 -0.955 2.261 6.576 1.00 0.00 C ATOM 245 NE ARG A 16 -2.193 1.950 7.284 1.00 0.00 N ATOM 246 CZ ARG A 16 -2.365 2.131 8.590 1.00 0.00 C ATOM 247 NH1 ARG A 16 -1.380 2.621 9.331 1.00 0.00 N ATOM 248 NH2 ARG A 16 -3.524 1.823 9.155 1.00 0.00 N ATOM 0 H ARG A 16 0.716 -0.272 2.970 1.00 0.00 H new ATOM 0 HA ARG A 16 0.156 -0.192 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.746 0.670 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.259 0.325 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.198 2.447 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.913 2.776 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.163 1.597 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.645 3.278 6.816 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.972 1.572 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.487 2.860 8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.515 2.759 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.284 1.447 8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.656 1.962 10.157 1.00 0.00 H new ATOM 262 N VAL A 17 -1.517 -2.195 5.559 1.00 0.00 N ATOM 263 CA VAL A 17 -2.057 -3.547 5.488 1.00 0.00 C ATOM 264 C VAL A 17 -3.520 -3.553 5.927 1.00 0.00 C ATOM 265 O VAL A 17 -3.939 -4.387 6.730 1.00 0.00 O ATOM 266 CB VAL A 17 -1.256 -4.529 6.371 1.00 0.00 C ATOM 267 CG1 VAL A 17 -1.581 -5.970 6.006 1.00 0.00 C ATOM 268 CG2 VAL A 17 0.238 -4.271 6.249 1.00 0.00 C ATOM 0 H VAL A 17 -1.814 -1.668 6.381 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.979 -3.876 4.452 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.547 -4.364 7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.006 -6.645 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.645 -6.152 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.325 -6.147 4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.781 -4.975 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.546 -4.401 5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.459 -3.252 6.568 1.00 0.00 H new ATOM 278 N ARG A 18 -4.292 -2.609 5.393 1.00 0.00 N ATOM 279 CA ARG A 18 -5.708 -2.506 5.730 1.00 0.00 C ATOM 280 C ARG A 18 -6.450 -3.714 5.186 1.00 0.00 C ATOM 281 O ARG A 18 -7.415 -4.193 5.781 1.00 0.00 O ATOM 282 CB ARG A 18 -6.305 -1.216 5.158 1.00 0.00 C ATOM 283 CG ARG A 18 -7.800 -1.071 5.402 1.00 0.00 C ATOM 284 CD ARG A 18 -8.130 -1.059 6.888 1.00 0.00 C ATOM 285 NE ARG A 18 -7.472 0.040 7.589 1.00 0.00 N ATOM 286 CZ ARG A 18 -7.107 -0.015 8.866 1.00 0.00 C ATOM 287 NH1 ARG A 18 -7.315 -1.118 9.573 1.00 0.00 N ATOM 288 NH2 ARG A 18 -6.528 1.033 9.439 1.00 0.00 N ATOM 0 H ARG A 18 -3.962 -1.909 4.729 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.812 -2.479 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.790 -0.362 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.117 -1.184 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.156 -0.149 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.329 -1.892 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.209 -0.977 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.826 -2.006 7.334 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.282 0.897 7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.756 -1.928 9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.034 -1.156 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.362 1.883 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.249 0.989 10.419 1.00 0.00 H new ATOM 302 N GLY A 19 -5.980 -4.195 4.046 1.00 0.00 N ATOM 303 CA GLY A 19 -6.570 -5.355 3.418 1.00 0.00 C ATOM 304 C GLY A 19 -5.510 -6.248 2.815 1.00 0.00 C ATOM 305 O GLY A 19 -4.711 -6.845 3.538 1.00 0.00 O ATOM 0 H GLY A 19 -5.190 -3.795 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.147 -5.916 4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.266 -5.037 2.642 1.00 0.00 H new ATOM 309 N THR A 20 -5.494 -6.330 1.492 1.00 0.00 N ATOM 310 CA THR A 20 -4.514 -7.144 0.789 1.00 0.00 C ATOM 311 C THR A 20 -4.727 -7.068 -0.719 1.00 0.00 C ATOM 312 O THR A 20 -5.735 -6.537 -1.186 1.00 0.00 O ATOM 313 CB THR A 20 -4.571 -8.618 1.237 1.00 0.00 C ATOM 314 OG1 THR A 20 -3.657 -9.406 0.464 1.00 0.00 O ATOM 315 CG2 THR A 20 -5.980 -9.175 1.092 1.00 0.00 C ATOM 0 H THR A 20 -6.150 -5.841 0.883 1.00 0.00 H new ATOM 0 HA THR A 20 -3.531 -6.743 1.038 1.00 0.00 H new ATOM 0 HB THR A 20 -4.286 -8.664 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.958 -10.338 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.995 -10.216 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.666 -8.595 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.290 -9.114 0.049 1.00 0.00 H new ATOM 323 N CYS A 21 -3.775 -7.602 -1.476 1.00 0.00 N ATOM 324 CA CYS A 21 -3.863 -7.591 -2.930 1.00 0.00 C ATOM 325 C CYS A 21 -3.488 -8.954 -3.506 1.00 0.00 C ATOM 326 O CYS A 21 -3.369 -9.115 -4.722 1.00 0.00 O ATOM 327 CB CYS A 21 -2.951 -6.504 -3.500 1.00 0.00 C ATOM 328 SG CYS A 21 -3.111 -6.255 -5.296 1.00 0.00 S ATOM 0 H CYS A 21 -2.935 -8.047 -1.107 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.893 -7.375 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.167 -5.563 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.916 -6.758 -3.271 1.00 0.00 H new ATOM 333 N GLY A 22 -3.306 -9.932 -2.624 1.00 0.00 N ATOM 334 CA GLY A 22 -2.949 -11.269 -3.060 1.00 0.00 C ATOM 335 C GLY A 22 -2.383 -12.113 -1.935 1.00 0.00 C ATOM 336 O GLY A 22 -2.769 -11.954 -0.776 1.00 0.00 O ATOM 0 H GLY A 22 -3.400 -9.822 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.830 -11.761 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.216 -11.202 -3.864 1.00 0.00 H new ATOM 340 N ILE A 23 -1.468 -13.013 -2.277 1.00 0.00 N ATOM 341 CA ILE A 23 -0.845 -13.885 -1.290 1.00 0.00 C ATOM 342 C ILE A 23 0.057 -13.089 -0.351 1.00 0.00 C ATOM 343 O ILE A 23 -0.265 -12.897 0.822 1.00 0.00 O ATOM 344 CB ILE A 23 -0.016 -14.995 -1.967 1.00 0.00 C ATOM 345 CG1 ILE A 23 -0.875 -15.751 -2.985 1.00 0.00 C ATOM 346 CG2 ILE A 23 0.547 -15.951 -0.925 1.00 0.00 C ATOM 347 CD1 ILE A 23 -0.094 -16.737 -3.828 1.00 0.00 C ATOM 0 H ILE A 23 -1.141 -13.157 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.649 -14.344 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 23 0.820 -14.534 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.665 -16.285 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.362 -15.031 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.129 -16.728 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.188 -15.401 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.272 -16.409 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.769 -17.234 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.678 -16.207 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.371 -17.481 -3.181 1.00 0.00 H new ATOM 359 N ARG A 24 1.187 -12.623 -0.877 1.00 0.00 N ATOM 360 CA ARG A 24 2.133 -11.844 -0.088 1.00 0.00 C ATOM 361 C ARG A 24 2.185 -10.398 -0.574 1.00 0.00 C ATOM 362 O ARG A 24 3.247 -9.774 -0.592 1.00 0.00 O ATOM 363 CB ARG A 24 3.526 -12.475 -0.153 1.00 0.00 C ATOM 364 CG ARG A 24 4.008 -12.751 -1.567 1.00 0.00 C ATOM 365 CD ARG A 24 5.395 -13.375 -1.568 1.00 0.00 C ATOM 366 NE ARG A 24 5.773 -13.871 -2.889 1.00 0.00 N ATOM 367 CZ ARG A 24 6.686 -14.818 -3.087 1.00 0.00 C ATOM 368 NH1 ARG A 24 7.314 -15.363 -2.054 1.00 0.00 N ATOM 369 NH2 ARG A 24 6.970 -15.221 -4.317 1.00 0.00 N ATOM 0 H ARG A 24 1.468 -12.772 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 24 1.794 -11.845 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.238 -11.814 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.518 -13.410 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.307 -13.418 -2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.025 -11.821 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.125 -12.636 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.423 -14.196 -0.851 1.00 0.00 H new ATOM 0 HE ARG A 24 5.311 -13.469 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.097 -15.056 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.014 -16.089 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.488 -14.805 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.670 -15.947 -4.467 1.00 0.00 H new ATOM 383 N PHE A 25 1.028 -9.874 -0.967 1.00 0.00 N ATOM 384 CA PHE A 25 0.932 -8.502 -1.452 1.00 0.00 C ATOM 385 C PHE A 25 0.452 -7.565 -0.348 1.00 0.00 C ATOM 386 O PHE A 25 -0.305 -7.968 0.535 1.00 0.00 O ATOM 387 CB PHE A 25 -0.023 -8.427 -2.644 1.00 0.00 C ATOM 388 CG PHE A 25 0.511 -9.074 -3.891 1.00 0.00 C ATOM 389 CD1 PHE A 25 0.594 -10.453 -3.992 1.00 0.00 C ATOM 390 CD2 PHE A 25 0.929 -8.301 -4.961 1.00 0.00 C ATOM 391 CE1 PHE A 25 1.085 -11.050 -5.137 1.00 0.00 C ATOM 392 CE2 PHE A 25 1.421 -8.891 -6.110 1.00 0.00 C ATOM 393 CZ PHE A 25 1.499 -10.267 -6.198 1.00 0.00 C ATOM 0 H PHE A 25 0.142 -10.380 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 25 1.926 -8.186 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.965 -8.904 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.244 -7.381 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.271 -11.069 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.870 -7.225 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.145 -12.126 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.744 -8.277 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.883 -10.731 -7.095 1.00 0.00 H new ATOM 403 N LEU A 26 0.898 -6.314 -0.404 1.00 0.00 N ATOM 404 CA LEU A 26 0.511 -5.319 0.589 1.00 0.00 C ATOM 405 C LEU A 26 -0.319 -4.215 -0.051 1.00 0.00 C ATOM 406 O LEU A 26 -0.302 -4.038 -1.271 1.00 0.00 O ATOM 407 CB LEU A 26 1.744 -4.712 1.264 1.00 0.00 C ATOM 408 CG LEU A 26 2.756 -5.720 1.811 1.00 0.00 C ATOM 409 CD1 LEU A 26 3.675 -6.214 0.703 1.00 0.00 C ATOM 410 CD2 LEU A 26 3.566 -5.099 2.940 1.00 0.00 C ATOM 0 H LEU A 26 1.528 -5.966 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.091 -5.822 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.251 -4.068 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.412 -4.075 2.084 1.00 0.00 H new ATOM 0 HG LEU A 26 2.209 -6.576 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.387 -6.930 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.082 -6.697 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.215 -5.370 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.282 -5.829 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.101 -4.226 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.896 -4.797 3.745 1.00 0.00 H new ATOM 422 N TYR A 27 -1.039 -3.467 0.781 1.00 0.00 N ATOM 423 CA TYR A 27 -1.880 -2.389 0.291 1.00 0.00 C ATOM 424 C TYR A 27 -1.354 -1.035 0.744 1.00 0.00 C ATOM 425 O TYR A 27 -1.185 -0.789 1.936 1.00 0.00 O ATOM 426 CB TYR A 27 -3.316 -2.589 0.764 1.00 0.00 C ATOM 427 CG TYR A 27 -4.320 -2.479 -0.353 1.00 0.00 C ATOM 428 CD1 TYR A 27 -4.438 -3.491 -1.296 1.00 0.00 C ATOM 429 CD2 TYR A 27 -5.137 -1.365 -0.476 1.00 0.00 C ATOM 430 CE1 TYR A 27 -5.346 -3.396 -2.333 1.00 0.00 C ATOM 431 CE2 TYR A 27 -6.048 -1.262 -1.509 1.00 0.00 C ATOM 432 CZ TYR A 27 -6.149 -2.279 -2.434 1.00 0.00 C ATOM 433 OH TYR A 27 -7.054 -2.178 -3.465 1.00 0.00 O ATOM 0 H TYR A 27 -1.054 -3.590 1.793 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.861 -2.408 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.406 -3.569 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.548 -1.848 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.810 -4.366 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.060 -0.566 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.427 -4.191 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.678 -0.389 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.541 -1.331 -3.391 1.00 0.00 H new ATOM 443 N CYS A 28 -1.106 -0.153 -0.215 1.00 0.00 N ATOM 444 CA CYS A 28 -0.584 1.169 0.090 1.00 0.00 C ATOM 445 C CYS A 28 -1.523 2.260 -0.409 1.00 0.00 C ATOM 446 O CYS A 28 -2.271 2.060 -1.365 1.00 0.00 O ATOM 447 CB CYS A 28 0.802 1.331 -0.530 1.00 0.00 C ATOM 448 SG CYS A 28 1.990 0.056 0.001 1.00 0.00 S ATOM 0 H CYS A 28 -1.258 -0.330 -1.208 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.506 1.269 1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.711 1.302 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.195 2.314 -0.269 1.00 0.00 H new ATOM 453 N CYS A 29 -1.482 3.412 0.251 1.00 0.00 N ATOM 454 CA CYS A 29 -2.332 4.536 -0.123 1.00 0.00 C ATOM 455 C CYS A 29 -1.607 5.864 0.114 1.00 0.00 C ATOM 456 O CYS A 29 -1.218 6.168 1.241 1.00 0.00 O ATOM 457 CB CYS A 29 -3.632 4.499 0.681 1.00 0.00 C ATOM 458 SG CYS A 29 -5.092 5.082 -0.238 1.00 0.00 S ATOM 0 H CYS A 29 -0.870 3.592 1.047 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.566 4.454 -1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.811 3.477 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.511 5.110 1.575 1.00 0.00 H new ATOM 463 N PRO A 30 -1.414 6.676 -0.947 1.00 0.00 N ATOM 464 CA PRO A 30 -0.727 7.969 -0.833 1.00 0.00 C ATOM 465 C PRO A 30 -1.533 8.990 -0.036 1.00 0.00 C ATOM 466 O PRO A 30 -2.760 9.027 -0.116 1.00 0.00 O ATOM 467 CB PRO A 30 -0.579 8.427 -2.286 1.00 0.00 C ATOM 468 CG PRO A 30 -1.672 7.730 -3.017 1.00 0.00 C ATOM 469 CD PRO A 30 -1.845 6.404 -2.333 1.00 0.00 C ATOM 0 HA PRO A 30 0.220 7.876 -0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.674 9.510 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.399 8.160 -2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.595 8.309 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.416 7.597 -4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.880 6.063 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.236 5.629 -2.799 1.00 0.00 H new ATOM 477 N ARG A 31 -0.829 9.819 0.731 1.00 0.00 N ATOM 478 CA ARG A 31 -1.472 10.846 1.543 1.00 0.00 C ATOM 479 C ARG A 31 -1.524 12.173 0.794 1.00 0.00 C ATOM 480 O ARG A 31 -2.556 12.845 0.774 1.00 0.00 O ATOM 481 CB ARG A 31 -0.720 11.026 2.864 1.00 0.00 C ATOM 482 CG ARG A 31 -0.817 9.826 3.790 1.00 0.00 C ATOM 483 CD ARG A 31 0.080 9.986 5.007 1.00 0.00 C ATOM 484 NE ARG A 31 -0.142 11.257 5.692 1.00 0.00 N ATOM 485 CZ ARG A 31 -0.577 11.357 6.943 1.00 0.00 C ATOM 486 NH1 ARG A 31 -0.861 10.265 7.642 1.00 0.00 N ATOM 487 NH2 ARG A 31 -0.734 12.552 7.496 1.00 0.00 N ATOM 0 H ARG A 31 0.188 9.799 0.806 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.492 10.524 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.330 11.225 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.112 11.903 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.850 9.697 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.538 8.923 3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.101 9.165 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.123 9.919 4.699 1.00 0.00 H new ATOM 0 HE ARG A 31 0.048 12.118 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.745 9.344 7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.195 10.347 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.521 13.394 6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.068 12.630 8.457 1.00 0.00 H new ATOM 501 N ARG A 32 -0.404 12.544 0.183 1.00 0.00 N ATOM 502 CA ARG A 32 -0.319 13.792 -0.569 1.00 0.00 C ATOM 503 C ARG A 32 -0.918 13.628 -1.962 1.00 0.00 C ATOM 504 O ARG A 32 -0.178 13.211 -2.879 1.00 0.00 O ATOM 505 CB ARG A 32 1.137 14.249 -0.674 1.00 0.00 C ATOM 506 CG ARG A 32 1.774 14.567 0.670 1.00 0.00 C ATOM 507 CD ARG A 32 1.133 15.785 1.317 1.00 0.00 C ATOM 508 NE ARG A 32 1.308 16.987 0.506 1.00 0.00 N ATOM 509 CZ ARG A 32 0.531 18.063 0.600 1.00 0.00 C ATOM 510 NH1 ARG A 32 -0.478 18.086 1.463 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.760 19.116 -0.171 1.00 0.00 N ATOM 512 OXT ARG A 32 -2.121 13.919 -2.125 1.00 0.00 O ATOM 0 H ARG A 32 0.458 11.999 0.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.892 14.551 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.719 13.470 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.186 15.134 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.675 13.707 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.841 14.745 0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.069 15.599 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.570 15.945 2.303 1.00 0.00 H new ATOM 0 HE ARG A 32 2.070 17.002 -0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.660 17.277 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.071 18.913 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.532 19.102 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.164 19.941 -0.098 1.00 0.00 H new TER 526 ARG A 32