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 30:sc= -0.773 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.0258 (180deg=-0.276) USER MOD Single : A 10 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.24) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -1.88! (180deg=-2.72!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.702 11.521 -3.124 1.00 0.00 N ATOM 2 CA GLY A 1 -4.216 11.886 -4.473 1.00 0.00 C ATOM 3 C GLY A 1 -5.434 11.076 -4.870 1.00 0.00 C ATOM 4 O GLY A 1 -6.557 11.579 -4.842 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.870 12.103 -2.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.443 11.688 -2.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.434 10.516 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.469 12.946 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.428 11.736 -5.211 1.00 0.00 H new ATOM 10 N LEU A 2 -5.212 9.819 -5.240 1.00 0.00 N ATOM 11 CA LEU A 2 -6.300 8.938 -5.647 1.00 0.00 C ATOM 12 C LEU A 2 -6.536 7.847 -4.605 1.00 0.00 C ATOM 13 O LEU A 2 -6.025 7.923 -3.487 1.00 0.00 O ATOM 14 CB LEU A 2 -5.997 8.302 -7.007 1.00 0.00 C ATOM 15 CG LEU A 2 -6.038 9.258 -8.204 1.00 0.00 C ATOM 16 CD1 LEU A 2 -4.849 10.207 -8.183 1.00 0.00 C ATOM 17 CD2 LEU A 2 -6.070 8.475 -9.508 1.00 0.00 C ATOM 0 H LEU A 2 -4.288 9.388 -5.266 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.205 9.540 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.009 7.844 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.713 7.499 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.948 9.853 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.901 10.875 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.869 10.795 -7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.924 9.632 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.099 9.169 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.178 7.853 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.956 7.841 -9.530 1.00 0.00 H new ATOM 29 N LEU A 3 -7.312 6.835 -4.980 1.00 0.00 N ATOM 30 CA LEU A 3 -7.617 5.728 -4.079 1.00 0.00 C ATOM 31 C LEU A 3 -6.363 4.913 -3.773 1.00 0.00 C ATOM 32 O LEU A 3 -5.268 5.246 -4.227 1.00 0.00 O ATOM 33 CB LEU A 3 -8.690 4.825 -4.693 1.00 0.00 C ATOM 34 CG LEU A 3 -10.033 5.508 -4.968 1.00 0.00 C ATOM 35 CD1 LEU A 3 -10.962 4.570 -5.722 1.00 0.00 C ATOM 36 CD2 LEU A 3 -10.678 5.966 -3.668 1.00 0.00 C ATOM 0 H LEU A 3 -7.741 6.758 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.993 6.145 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.308 4.418 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.859 3.981 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.851 6.386 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.912 5.071 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.505 4.291 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.136 3.674 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.631 6.449 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.846 5.104 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.019 6.674 -3.165 1.00 0.00 H new ATOM 48 N CYS A 4 -6.528 3.845 -2.997 1.00 0.00 N ATOM 49 CA CYS A 4 -5.410 2.984 -2.631 1.00 0.00 C ATOM 50 C CYS A 4 -4.898 2.218 -3.848 1.00 0.00 C ATOM 51 O CYS A 4 -5.441 2.345 -4.946 1.00 0.00 O ATOM 52 CB CYS A 4 -5.838 2.005 -1.538 1.00 0.00 C ATOM 53 SG CYS A 4 -6.755 2.777 -0.164 1.00 0.00 S ATOM 0 H CYS A 4 -7.426 3.556 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.602 3.610 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.459 1.228 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.951 1.513 -1.138 1.00 0.00 H new ATOM 58 N TYR A 5 -3.847 1.424 -3.649 1.00 0.00 N ATOM 59 CA TYR A 5 -3.264 0.645 -4.737 1.00 0.00 C ATOM 60 C TYR A 5 -2.739 -0.700 -4.243 1.00 0.00 C ATOM 61 O TYR A 5 -2.264 -0.816 -3.114 1.00 0.00 O ATOM 62 CB TYR A 5 -2.128 1.426 -5.402 1.00 0.00 C ATOM 63 CG TYR A 5 -2.582 2.696 -6.088 1.00 0.00 C ATOM 64 CD1 TYR A 5 -3.301 2.646 -7.275 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.290 3.941 -5.548 1.00 0.00 C ATOM 66 CE1 TYR A 5 -3.718 3.803 -7.905 1.00 0.00 C ATOM 67 CE2 TYR A 5 -2.704 5.103 -6.172 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.418 5.028 -7.349 1.00 0.00 C ATOM 69 OH TYR A 5 -3.831 6.182 -7.975 1.00 0.00 O ATOM 0 H TYR A 5 -3.384 1.304 -2.748 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.053 0.458 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.382 1.678 -4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.637 0.784 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.538 1.688 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.731 4.003 -4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.276 3.748 -8.828 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.469 6.065 -5.740 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.662 6.009 -8.465 1.00 0.00 H new ATOM 79 N CYS A 6 -2.829 -1.711 -5.100 1.00 0.00 N ATOM 80 CA CYS A 6 -2.356 -3.051 -4.768 1.00 0.00 C ATOM 81 C CYS A 6 -0.956 -3.272 -5.329 1.00 0.00 C ATOM 82 O CYS A 6 -0.782 -3.436 -6.538 1.00 0.00 O ATOM 83 CB CYS A 6 -3.317 -4.106 -5.324 1.00 0.00 C ATOM 84 SG CYS A 6 -2.688 -5.813 -5.231 1.00 0.00 S ATOM 0 H CYS A 6 -3.227 -1.627 -6.035 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.318 -3.147 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.258 -4.047 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.537 -3.868 -6.365 1.00 0.00 H new ATOM 89 N ARG A 7 0.038 -3.277 -4.448 1.00 0.00 N ATOM 90 CA ARG A 7 1.424 -3.468 -4.861 1.00 0.00 C ATOM 91 C ARG A 7 1.998 -4.757 -4.284 1.00 0.00 C ATOM 92 O ARG A 7 1.295 -5.521 -3.624 1.00 0.00 O ATOM 93 CB ARG A 7 2.273 -2.273 -4.428 1.00 0.00 C ATOM 94 CG ARG A 7 2.038 -1.027 -5.270 1.00 0.00 C ATOM 95 CD ARG A 7 2.811 0.164 -4.728 1.00 0.00 C ATOM 96 NE ARG A 7 2.749 1.311 -5.629 1.00 0.00 N ATOM 97 CZ ARG A 7 1.945 2.355 -5.442 1.00 0.00 C ATOM 98 NH1 ARG A 7 1.124 2.388 -4.401 1.00 0.00 N ATOM 99 NH2 ARG A 7 1.961 3.365 -6.300 1.00 0.00 N ATOM 0 H ARG A 7 -0.090 -3.151 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 7 1.445 -3.545 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.058 -2.043 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.327 -2.546 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.339 -1.220 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.973 -0.794 -5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.409 0.445 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.852 -0.119 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 7 3.356 1.312 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.107 1.611 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.509 3.190 -4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.589 3.342 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.345 4.165 -6.157 1.00 0.00 H new ATOM 113 N LYS A 8 3.282 -4.992 -4.541 1.00 0.00 N ATOM 114 CA LYS A 8 3.954 -6.191 -4.052 1.00 0.00 C ATOM 115 C LYS A 8 5.319 -5.854 -3.462 1.00 0.00 C ATOM 116 O LYS A 8 6.146 -5.213 -4.111 1.00 0.00 O ATOM 117 CB LYS A 8 4.116 -7.203 -5.188 1.00 0.00 C ATOM 118 CG LYS A 8 4.739 -8.520 -4.751 1.00 0.00 C ATOM 119 CD LYS A 8 4.850 -9.500 -5.909 1.00 0.00 C ATOM 120 CE LYS A 8 5.859 -9.030 -6.947 1.00 0.00 C ATOM 121 NZ LYS A 8 7.237 -8.956 -6.388 1.00 0.00 N ATOM 0 H LYS A 8 3.877 -4.368 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 8 3.338 -6.626 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.138 -7.402 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.733 -6.761 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.729 -8.334 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.137 -8.962 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.145 -10.479 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.874 -9.621 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.849 -9.711 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.566 -8.049 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.925 -8.900 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.323 -8.111 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.427 -9.805 -5.819 1.00 0.00 H new ATOM 135 N GLY A 9 5.547 -6.291 -2.227 1.00 0.00 N ATOM 136 CA GLY A 9 6.814 -6.031 -1.569 1.00 0.00 C ATOM 137 C GLY A 9 6.767 -4.814 -0.666 1.00 0.00 C ATOM 138 O GLY A 9 6.337 -4.903 0.485 1.00 0.00 O ATOM 0 H GLY A 9 4.876 -6.821 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.099 -6.903 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.588 -5.889 -2.323 1.00 0.00 H new ATOM 142 N HIS A 10 7.211 -3.674 -1.188 1.00 0.00 N ATOM 143 CA HIS A 10 7.223 -2.433 -0.423 1.00 0.00 C ATOM 144 C HIS A 10 6.809 -1.255 -1.300 1.00 0.00 C ATOM 145 O HIS A 10 7.352 -1.060 -2.388 1.00 0.00 O ATOM 146 CB HIS A 10 8.619 -2.191 0.160 1.00 0.00 C ATOM 147 CG HIS A 10 8.637 -1.224 1.304 1.00 0.00 C ATOM 148 ND1 HIS A 10 8.521 -1.618 2.621 1.00 0.00 N ATOM 149 CD2 HIS A 10 8.766 0.124 1.325 1.00 0.00 C ATOM 150 CE1 HIS A 10 8.577 -0.554 3.402 1.00 0.00 C ATOM 151 NE2 HIS A 10 8.726 0.514 2.642 1.00 0.00 N ATOM 0 H HIS A 10 7.568 -3.585 -2.139 1.00 0.00 H new ATOM 0 HA HIS A 10 6.506 -2.522 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.033 -3.142 0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.272 -1.818 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.879 0.771 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.512 -0.558 4.480 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.800 1.474 2.978 1.00 0.00 H new ATOM 160 N CYS A 11 5.844 -0.472 -0.823 1.00 0.00 N ATOM 161 CA CYS A 11 5.361 0.684 -1.571 1.00 0.00 C ATOM 162 C CYS A 11 6.294 1.877 -1.392 1.00 0.00 C ATOM 163 O CYS A 11 7.104 1.915 -0.467 1.00 0.00 O ATOM 164 CB CYS A 11 3.946 1.056 -1.125 1.00 0.00 C ATOM 165 SG CYS A 11 3.181 2.377 -2.120 1.00 0.00 S ATOM 0 H CYS A 11 5.383 -0.617 0.075 1.00 0.00 H new ATOM 0 HA CYS A 11 5.341 0.417 -2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.316 0.168 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.975 1.371 -0.082 1.00 0.00 H new ATOM 170 N LYS A 12 6.170 2.852 -2.286 1.00 0.00 N ATOM 171 CA LYS A 12 7.004 4.049 -2.244 1.00 0.00 C ATOM 172 C LYS A 12 6.492 5.047 -1.215 1.00 0.00 C ATOM 173 O LYS A 12 7.254 5.876 -0.716 1.00 0.00 O ATOM 174 CB LYS A 12 7.060 4.703 -3.626 1.00 0.00 C ATOM 175 CG LYS A 12 5.703 5.164 -4.137 1.00 0.00 C ATOM 176 CD LYS A 12 5.786 5.684 -5.565 1.00 0.00 C ATOM 177 CE LYS A 12 5.661 4.560 -6.582 1.00 0.00 C ATOM 178 NZ LYS A 12 6.741 3.546 -6.432 1.00 0.00 N ATOM 0 H LYS A 12 5.497 2.837 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 12 8.008 3.746 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.734 5.559 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.485 3.995 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.997 4.335 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.316 5.948 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.995 6.415 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.735 6.201 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.691 4.075 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.693 4.977 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.809 2.980 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.647 4.027 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.523 2.922 -5.629 1.00 0.00 H new ATOM 192 N ARG A 13 5.205 4.964 -0.898 1.00 0.00 N ATOM 193 CA ARG A 13 4.607 5.869 0.073 1.00 0.00 C ATOM 194 C ARG A 13 3.174 5.458 0.407 1.00 0.00 C ATOM 195 O ARG A 13 2.291 5.485 -0.450 1.00 0.00 O ATOM 196 CB ARG A 13 4.641 7.306 -0.458 1.00 0.00 C ATOM 197 CG ARG A 13 3.894 7.496 -1.770 1.00 0.00 C ATOM 198 CD ARG A 13 4.065 8.907 -2.312 1.00 0.00 C ATOM 199 NE ARG A 13 5.468 9.237 -2.553 1.00 0.00 N ATOM 200 CZ ARG A 13 5.874 10.372 -3.114 1.00 0.00 C ATOM 201 NH1 ARG A 13 4.986 11.282 -3.496 1.00 0.00 N ATOM 202 NH2 ARG A 13 7.167 10.598 -3.296 1.00 0.00 N ATOM 0 H ARG A 13 4.559 4.283 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 13 5.191 5.815 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.213 7.970 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.679 7.608 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.258 6.777 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.834 7.289 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.504 9.008 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.642 9.620 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 13 6.176 8.558 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.990 11.111 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.300 12.152 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.852 9.901 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.477 11.469 -3.727 1.00 0.00 H new ATOM 216 N GLY A 14 2.954 5.071 1.660 1.00 0.00 N ATOM 217 CA GLY A 14 1.629 4.662 2.089 1.00 0.00 C ATOM 218 C GLY A 14 1.532 3.173 2.359 1.00 0.00 C ATOM 219 O GLY A 14 0.454 2.587 2.251 1.00 0.00 O ATOM 0 H GLY A 14 3.670 5.033 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.360 5.209 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.903 4.936 1.323 1.00 0.00 H new ATOM 223 N GLU A 15 2.658 2.559 2.716 1.00 0.00 N ATOM 224 CA GLU A 15 2.690 1.129 3.003 1.00 0.00 C ATOM 225 C GLU A 15 1.724 0.786 4.135 1.00 0.00 C ATOM 226 O GLU A 15 1.892 1.245 5.265 1.00 0.00 O ATOM 227 CB GLU A 15 4.110 0.688 3.377 1.00 0.00 C ATOM 228 CG GLU A 15 5.155 1.015 2.322 1.00 0.00 C ATOM 229 CD GLU A 15 5.592 2.467 2.358 1.00 0.00 C ATOM 230 OE1 GLU A 15 6.397 2.822 3.245 1.00 0.00 O ATOM 231 OE2 GLU A 15 5.129 3.246 1.501 1.00 0.00 O ATOM 0 H GLU A 15 3.558 3.029 2.813 1.00 0.00 H new ATOM 0 HA GLU A 15 2.380 0.596 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.393 1.166 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.111 -0.388 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.025 0.375 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.753 0.786 1.335 1.00 0.00 H new ATOM 238 N ARG A 16 0.715 -0.024 3.825 1.00 0.00 N ATOM 239 CA ARG A 16 -0.281 -0.418 4.817 1.00 0.00 C ATOM 240 C ARG A 16 -0.677 -1.884 4.658 1.00 0.00 C ATOM 241 O ARG A 16 -0.549 -2.465 3.577 1.00 0.00 O ATOM 242 CB ARG A 16 -1.520 0.473 4.703 1.00 0.00 C ATOM 243 CG ARG A 16 -1.250 1.931 5.039 1.00 0.00 C ATOM 244 CD ARG A 16 -2.470 2.800 4.776 1.00 0.00 C ATOM 245 NE ARG A 16 -3.625 2.378 5.563 1.00 0.00 N ATOM 246 CZ ARG A 16 -4.800 3.001 5.537 1.00 0.00 C ATOM 247 NH1 ARG A 16 -4.972 4.068 4.769 1.00 0.00 N ATOM 248 NH2 ARG A 16 -5.805 2.558 6.282 1.00 0.00 N ATOM 0 H ARG A 16 0.566 -0.420 2.897 1.00 0.00 H new ATOM 0 HA ARG A 16 0.164 -0.294 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.912 0.409 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.294 0.092 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.961 2.016 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.410 2.292 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.232 3.838 5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.720 2.761 3.716 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.526 1.561 6.166 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.202 4.413 4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.874 4.544 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.677 1.739 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.705 3.037 6.261 1.00 0.00 H new ATOM 262 N VAL A 17 -1.159 -2.477 5.747 1.00 0.00 N ATOM 263 CA VAL A 17 -1.575 -3.873 5.736 1.00 0.00 C ATOM 264 C VAL A 17 -2.921 -4.046 6.436 1.00 0.00 C ATOM 265 O VAL A 17 -3.102 -4.952 7.251 1.00 0.00 O ATOM 266 CB VAL A 17 -0.525 -4.778 6.415 1.00 0.00 C ATOM 267 CG1 VAL A 17 -0.754 -6.237 6.050 1.00 0.00 C ATOM 268 CG2 VAL A 17 0.883 -4.342 6.037 1.00 0.00 C ATOM 0 H VAL A 17 -1.270 -2.011 6.647 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.672 -4.171 4.692 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.635 -4.678 7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.003 -6.857 6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.747 -6.543 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.676 -6.358 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.609 -4.992 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.006 -4.408 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.044 -3.313 6.358 1.00 0.00 H new ATOM 278 N ARG A 18 -3.863 -3.166 6.115 1.00 0.00 N ATOM 279 CA ARG A 18 -5.197 -3.222 6.703 1.00 0.00 C ATOM 280 C ARG A 18 -6.120 -4.058 5.825 1.00 0.00 C ATOM 281 O ARG A 18 -7.145 -4.566 6.280 1.00 0.00 O ATOM 282 CB ARG A 18 -5.765 -1.812 6.876 1.00 0.00 C ATOM 283 CG ARG A 18 -7.053 -1.769 7.681 1.00 0.00 C ATOM 284 CD ARG A 18 -7.488 -0.339 7.959 1.00 0.00 C ATOM 285 NE ARG A 18 -8.671 -0.284 8.815 1.00 0.00 N ATOM 286 CZ ARG A 18 -8.898 0.685 9.697 1.00 0.00 C ATOM 287 NH1 ARG A 18 -8.028 1.678 9.836 1.00 0.00 N ATOM 288 NH2 ARG A 18 -9.995 0.662 10.441 1.00 0.00 N ATOM 0 H ARG A 18 -3.728 -2.404 5.450 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.126 -3.689 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.019 -1.187 7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.947 -1.379 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.841 -2.291 7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.912 -2.297 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.671 0.203 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.699 0.166 7.016 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.361 -1.030 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.183 1.699 9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.205 2.420 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.666 -0.099 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.168 1.406 11.117 1.00 0.00 H new ATOM 302 N GLY A 19 -5.737 -4.191 4.561 1.00 0.00 N ATOM 303 CA GLY A 19 -6.510 -4.970 3.614 1.00 0.00 C ATOM 304 C GLY A 19 -5.618 -5.659 2.602 1.00 0.00 C ATOM 305 O GLY A 19 -5.542 -5.241 1.446 1.00 0.00 O ATOM 0 H GLY A 19 -4.895 -3.767 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.098 -5.716 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.215 -4.320 3.096 1.00 0.00 H new ATOM 309 N THR A 20 -4.935 -6.712 3.048 1.00 0.00 N ATOM 310 CA THR A 20 -4.023 -7.464 2.190 1.00 0.00 C ATOM 311 C THR A 20 -4.633 -7.739 0.820 1.00 0.00 C ATOM 312 O THR A 20 -5.799 -8.118 0.708 1.00 0.00 O ATOM 313 CB THR A 20 -3.619 -8.802 2.837 1.00 0.00 C ATOM 314 OG1 THR A 20 -4.774 -9.632 3.009 1.00 0.00 O ATOM 315 CG2 THR A 20 -2.948 -8.574 4.182 1.00 0.00 C ATOM 0 H THR A 20 -4.997 -7.064 4.003 1.00 0.00 H new ATOM 0 HA THR A 20 -3.137 -6.843 2.063 1.00 0.00 H new ATOM 0 HB THR A 20 -2.909 -9.299 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.508 -10.481 3.419 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.672 -9.534 4.618 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.053 -7.968 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.637 -8.057 4.849 1.00 0.00 H new ATOM 323 N CYS A 21 -3.828 -7.541 -0.218 1.00 0.00 N ATOM 324 CA CYS A 21 -4.271 -7.756 -1.589 1.00 0.00 C ATOM 325 C CYS A 21 -3.878 -9.149 -2.075 1.00 0.00 C ATOM 326 O CYS A 21 -4.391 -9.632 -3.083 1.00 0.00 O ATOM 327 CB CYS A 21 -3.663 -6.688 -2.501 1.00 0.00 C ATOM 328 SG CYS A 21 -4.152 -6.823 -4.251 1.00 0.00 S ATOM 0 H CYS A 21 -2.860 -7.230 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.358 -7.680 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.952 -5.704 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.577 -6.747 -2.435 1.00 0.00 H new ATOM 333 N GLY A 22 -2.966 -9.787 -1.348 1.00 0.00 N ATOM 334 CA GLY A 22 -2.517 -11.118 -1.717 1.00 0.00 C ATOM 335 C GLY A 22 -1.578 -11.719 -0.690 1.00 0.00 C ATOM 336 O GLY A 22 -1.601 -11.335 0.479 1.00 0.00 O ATOM 0 H GLY A 22 -2.529 -9.406 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.383 -11.769 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.014 -11.073 -2.683 1.00 0.00 H new ATOM 340 N ILE A 23 -0.750 -12.664 -1.126 1.00 0.00 N ATOM 341 CA ILE A 23 0.202 -13.317 -0.235 1.00 0.00 C ATOM 342 C ILE A 23 1.450 -12.459 -0.049 1.00 0.00 C ATOM 343 O ILE A 23 1.781 -12.062 1.068 1.00 0.00 O ATOM 344 CB ILE A 23 0.622 -14.702 -0.770 1.00 0.00 C ATOM 345 CG1 ILE A 23 -0.611 -15.577 -1.031 1.00 0.00 C ATOM 346 CG2 ILE A 23 1.570 -15.385 0.206 1.00 0.00 C ATOM 347 CD1 ILE A 23 -1.450 -15.843 0.203 1.00 0.00 C ATOM 0 H ILE A 23 -0.720 -12.994 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.300 -13.446 0.724 1.00 0.00 H new ATOM 0 HB ILE A 23 1.146 -14.562 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.234 -15.094 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.286 -16.530 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.856 -16.361 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.461 -14.771 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.072 -15.513 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.302 -16.468 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.845 -16.355 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.807 -14.897 0.611 1.00 0.00 H new ATOM 359 N ARG A 24 2.136 -12.178 -1.152 1.00 0.00 N ATOM 360 CA ARG A 24 3.345 -11.362 -1.115 1.00 0.00 C ATOM 361 C ARG A 24 3.019 -9.908 -1.436 1.00 0.00 C ATOM 362 O ARG A 24 3.902 -9.051 -1.457 1.00 0.00 O ATOM 363 CB ARG A 24 4.389 -11.896 -2.103 1.00 0.00 C ATOM 364 CG ARG A 24 3.932 -11.877 -3.554 1.00 0.00 C ATOM 365 CD ARG A 24 3.151 -13.132 -3.914 1.00 0.00 C ATOM 366 NE ARG A 24 3.951 -14.340 -3.743 1.00 0.00 N ATOM 367 CZ ARG A 24 3.473 -15.571 -3.897 1.00 0.00 C ATOM 368 NH1 ARG A 24 2.200 -15.755 -4.221 1.00 0.00 N ATOM 369 NH2 ARG A 24 4.268 -16.618 -3.726 1.00 0.00 N ATOM 0 H ARG A 24 1.876 -12.503 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 24 3.759 -11.415 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.299 -11.302 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.646 -12.919 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.310 -10.999 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.800 -11.788 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.260 -13.196 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.812 -13.064 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 24 4.934 -14.234 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.586 -14.951 -4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.835 -16.700 -4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.247 -16.479 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.901 -17.562 -3.844 1.00 0.00 H new ATOM 383 N PHE A 25 1.741 -9.641 -1.687 1.00 0.00 N ATOM 384 CA PHE A 25 1.285 -8.294 -2.010 1.00 0.00 C ATOM 385 C PHE A 25 0.917 -7.524 -0.746 1.00 0.00 C ATOM 386 O PHE A 25 1.015 -8.048 0.364 1.00 0.00 O ATOM 387 CB PHE A 25 0.079 -8.357 -2.951 1.00 0.00 C ATOM 388 CG PHE A 25 0.392 -8.958 -4.291 1.00 0.00 C ATOM 389 CD1 PHE A 25 0.461 -10.332 -4.451 1.00 0.00 C ATOM 390 CD2 PHE A 25 0.620 -8.147 -5.392 1.00 0.00 C ATOM 391 CE1 PHE A 25 0.749 -10.887 -5.683 1.00 0.00 C ATOM 392 CE2 PHE A 25 0.909 -8.697 -6.627 1.00 0.00 C ATOM 393 CZ PHE A 25 0.973 -10.069 -6.772 1.00 0.00 C ATOM 0 H PHE A 25 1.001 -10.343 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 25 2.102 -7.770 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.711 -8.939 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.311 -7.350 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.288 -10.977 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.571 -7.074 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.799 -11.960 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.084 -8.055 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.198 -10.501 -7.736 1.00 0.00 H new ATOM 403 N LEU A 26 0.491 -6.278 -0.925 1.00 0.00 N ATOM 404 CA LEU A 26 0.105 -5.430 0.197 1.00 0.00 C ATOM 405 C LEU A 26 -0.753 -4.264 -0.278 1.00 0.00 C ATOM 406 O LEU A 26 -0.940 -4.067 -1.480 1.00 0.00 O ATOM 407 CB LEU A 26 1.342 -4.906 0.934 1.00 0.00 C ATOM 408 CG LEU A 26 2.195 -3.898 0.160 1.00 0.00 C ATOM 409 CD1 LEU A 26 3.160 -3.191 1.099 1.00 0.00 C ATOM 410 CD2 LEU A 26 2.957 -4.586 -0.964 1.00 0.00 C ATOM 0 H LEU A 26 0.404 -5.832 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.481 -6.036 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.018 -4.442 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.970 -5.756 1.203 1.00 0.00 H new ATOM 0 HG LEU A 26 1.531 -3.156 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.760 -2.477 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.597 -2.663 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.815 -3.925 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.556 -3.851 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.611 -5.351 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.250 -5.050 -1.652 1.00 0.00 H new ATOM 422 N TYR A 27 -1.262 -3.486 0.672 1.00 0.00 N ATOM 423 CA TYR A 27 -2.111 -2.351 0.347 1.00 0.00 C ATOM 424 C TYR A 27 -1.392 -1.034 0.607 1.00 0.00 C ATOM 425 O TYR A 27 -0.908 -0.786 1.711 1.00 0.00 O ATOM 426 CB TYR A 27 -3.407 -2.419 1.154 1.00 0.00 C ATOM 427 CG TYR A 27 -4.647 -2.234 0.311 1.00 0.00 C ATOM 428 CD1 TYR A 27 -4.914 -3.087 -0.751 1.00 0.00 C ATOM 429 CD2 TYR A 27 -5.548 -1.208 0.572 1.00 0.00 C ATOM 430 CE1 TYR A 27 -6.041 -2.925 -1.531 1.00 0.00 C ATOM 431 CE2 TYR A 27 -6.679 -1.041 -0.203 1.00 0.00 C ATOM 432 CZ TYR A 27 -6.922 -1.901 -1.253 1.00 0.00 C ATOM 433 OH TYR A 27 -8.047 -1.737 -2.027 1.00 0.00 O ATOM 0 H TYR A 27 -1.100 -3.622 1.670 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.351 -2.397 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.461 -3.383 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.385 -1.652 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.228 -3.892 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.361 -0.532 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.232 -3.597 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.370 -0.240 0.013 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.562 -0.971 -1.697 1.00 0.00 H new ATOM 443 N CYS A 28 -1.332 -0.189 -0.415 1.00 0.00 N ATOM 444 CA CYS A 28 -0.665 1.102 -0.298 1.00 0.00 C ATOM 445 C CYS A 28 -1.625 2.242 -0.608 1.00 0.00 C ATOM 446 O CYS A 28 -2.019 2.440 -1.757 1.00 0.00 O ATOM 447 CB CYS A 28 0.541 1.171 -1.234 1.00 0.00 C ATOM 448 SG CYS A 28 1.434 2.756 -1.165 1.00 0.00 S ATOM 0 H CYS A 28 -1.736 -0.374 -1.333 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.322 1.207 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.230 0.365 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.206 0.997 -2.257 1.00 0.00 H new ATOM 453 N CYS A 29 -1.994 2.990 0.424 1.00 0.00 N ATOM 454 CA CYS A 29 -2.911 4.110 0.266 1.00 0.00 C ATOM 455 C CYS A 29 -2.260 5.410 0.742 1.00 0.00 C ATOM 456 O CYS A 29 -1.736 5.471 1.855 1.00 0.00 O ATOM 457 CB CYS A 29 -4.195 3.848 1.053 1.00 0.00 C ATOM 458 SG CYS A 29 -5.704 4.466 0.242 1.00 0.00 S ATOM 0 H CYS A 29 -1.672 2.841 1.380 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.155 4.213 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.296 2.775 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.107 4.312 2.035 1.00 0.00 H new ATOM 463 N PRO A 30 -2.281 6.469 -0.091 1.00 0.00 N ATOM 464 CA PRO A 30 -1.682 7.761 0.266 1.00 0.00 C ATOM 465 C PRO A 30 -2.376 8.410 1.459 1.00 0.00 C ATOM 466 O PRO A 30 -3.590 8.609 1.451 1.00 0.00 O ATOM 467 CB PRO A 30 -1.876 8.615 -0.992 1.00 0.00 C ATOM 468 CG PRO A 30 -2.997 7.968 -1.728 1.00 0.00 C ATOM 469 CD PRO A 30 -2.888 6.500 -1.435 1.00 0.00 C ATOM 0 HA PRO A 30 -0.639 7.653 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.116 9.647 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.969 8.639 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.959 8.362 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.923 8.159 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.863 6.013 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.267 5.988 -2.169 1.00 0.00 H new ATOM 477 N ARG A 31 -1.593 8.736 2.484 1.00 0.00 N ATOM 478 CA ARG A 31 -2.130 9.366 3.685 1.00 0.00 C ATOM 479 C ARG A 31 -2.661 10.761 3.375 1.00 0.00 C ATOM 480 O ARG A 31 -1.918 11.743 3.407 1.00 0.00 O ATOM 481 CB ARG A 31 -1.055 9.445 4.772 1.00 0.00 C ATOM 482 CG ARG A 31 -0.637 8.089 5.315 1.00 0.00 C ATOM 483 CD ARG A 31 0.363 8.228 6.454 1.00 0.00 C ATOM 484 NE ARG A 31 0.652 6.946 7.090 1.00 0.00 N ATOM 485 CZ ARG A 31 1.140 6.825 8.321 1.00 0.00 C ATOM 486 NH1 ARG A 31 1.396 7.907 9.047 1.00 0.00 N ATOM 487 NH2 ARG A 31 1.370 5.623 8.829 1.00 0.00 N ATOM 0 H ARG A 31 -0.586 8.574 2.506 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.956 8.754 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.178 9.951 4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.426 10.057 5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.517 7.550 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.197 7.495 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.288 8.660 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.030 8.921 7.198 1.00 0.00 H new ATOM 0 HE ARG A 31 0.469 6.094 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.218 8.834 8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.770 7.811 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.173 4.789 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.744 5.532 9.773 1.00 0.00 H new ATOM 501 N ARG A 32 -3.954 10.840 3.074 1.00 0.00 N ATOM 502 CA ARG A 32 -4.589 12.115 2.758 1.00 0.00 C ATOM 503 C ARG A 32 -5.177 12.758 4.012 1.00 0.00 C ATOM 504 O ARG A 32 -6.219 12.272 4.500 1.00 0.00 O ATOM 505 CB ARG A 32 -5.676 11.928 1.690 1.00 0.00 C ATOM 506 CG ARG A 32 -6.684 10.831 2.009 1.00 0.00 C ATOM 507 CD ARG A 32 -7.805 10.796 0.983 1.00 0.00 C ATOM 508 NE ARG A 32 -8.510 12.071 0.898 1.00 0.00 N ATOM 509 CZ ARG A 32 -9.106 12.514 -0.205 1.00 0.00 C ATOM 510 NH1 ARG A 32 -9.065 11.795 -1.319 1.00 0.00 N ATOM 511 NH2 ARG A 32 -9.739 13.678 -0.197 1.00 0.00 N ATOM 512 OXT ARG A 32 -4.588 13.747 4.497 1.00 0.00 O ATOM 0 H ARG A 32 -4.582 10.037 3.042 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.825 12.783 2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.210 12.870 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.198 11.701 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.179 9.865 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.102 10.996 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.394 10.544 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.511 10.008 1.245 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.548 12.656 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.576 10.900 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.523 12.137 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.770 14.236 0.656 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.196 14.016 -1.044 1.00 0.00 H new TER 526 ARG A 32