USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 262 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+ 164:sc= 1.04 (180deg=0.0698) USER MOD Single : A 5 TYR OH : rot -15:sc= 0.365 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.062) USER MOD Single : A 12 LYS NZ :NH3+ -170:sc=-0.00696 (180deg=-0.0929) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.218 13.549 -0.398 1.00 0.00 N ATOM 2 CA GLY A 1 3.004 12.519 0.316 1.00 0.00 C ATOM 3 C GLY A 1 2.564 12.388 1.752 1.00 0.00 C ATOM 4 O GLY A 1 2.273 13.391 2.402 1.00 0.00 O ATOM 0 H1 GLY A 1 2.706 13.809 -1.279 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.275 13.172 -0.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.120 14.391 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.893 11.559 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.062 12.777 0.280 1.00 0.00 H new ATOM 10 N LEU A 2 2.508 11.158 2.243 1.00 0.00 N ATOM 11 CA LEU A 2 2.096 10.890 3.611 1.00 0.00 C ATOM 12 C LEU A 2 2.497 9.474 4.000 1.00 0.00 C ATOM 13 O LEU A 2 3.238 8.817 3.267 1.00 0.00 O ATOM 14 CB LEU A 2 0.576 11.082 3.786 1.00 0.00 C ATOM 15 CG LEU A 2 -0.326 10.041 3.103 1.00 0.00 C ATOM 16 CD1 LEU A 2 -1.744 10.143 3.644 1.00 0.00 C ATOM 17 CD2 LEU A 2 -0.337 10.223 1.591 1.00 0.00 C ATOM 0 H LEU A 2 2.746 10.323 1.707 1.00 0.00 H new ATOM 0 HA LEU A 2 2.599 11.602 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.352 11.081 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.310 12.068 3.405 1.00 0.00 H new ATOM 0 HG LEU A 2 0.078 9.053 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.375 9.401 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.737 9.960 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.137 11.140 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.984 9.471 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.710 11.218 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.676 10.111 1.204 1.00 0.00 H new ATOM 29 N LEU A 3 2.012 9.012 5.142 1.00 0.00 N ATOM 30 CA LEU A 3 2.327 7.674 5.619 1.00 0.00 C ATOM 31 C LEU A 3 1.621 6.612 4.784 1.00 0.00 C ATOM 32 O LEU A 3 0.407 6.668 4.583 1.00 0.00 O ATOM 33 CB LEU A 3 1.932 7.526 7.090 1.00 0.00 C ATOM 34 CG LEU A 3 2.663 8.461 8.059 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.150 8.264 9.477 1.00 0.00 C ATOM 36 CD2 LEU A 3 4.166 8.227 7.999 1.00 0.00 C ATOM 0 H LEU A 3 1.397 9.545 5.757 1.00 0.00 H new ATOM 0 HA LEU A 3 3.403 7.529 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.860 7.701 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.114 6.496 7.397 1.00 0.00 H new ATOM 0 HG LEU A 3 2.464 9.490 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.680 8.936 10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.083 8.483 9.511 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.319 7.232 9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.667 8.901 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.385 7.195 8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.524 8.418 6.987 1.00 0.00 H new ATOM 48 N CYS A 4 2.389 5.644 4.312 1.00 0.00 N ATOM 49 CA CYS A 4 1.851 4.555 3.515 1.00 0.00 C ATOM 50 C CYS A 4 1.664 3.329 4.401 1.00 0.00 C ATOM 51 O CYS A 4 2.253 3.249 5.479 1.00 0.00 O ATOM 52 CB CYS A 4 2.786 4.243 2.347 1.00 0.00 C ATOM 53 SG CYS A 4 3.328 5.723 1.423 1.00 0.00 S ATOM 0 H CYS A 4 3.395 5.591 4.469 1.00 0.00 H new ATOM 0 HA CYS A 4 0.884 4.846 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.664 3.721 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.281 3.562 1.661 1.00 0.00 H new ATOM 58 N TYR A 5 0.840 2.384 3.969 1.00 0.00 N ATOM 59 CA TYR A 5 0.587 1.191 4.770 1.00 0.00 C ATOM 60 C TYR A 5 0.388 -0.051 3.913 1.00 0.00 C ATOM 61 O TYR A 5 -0.103 0.014 2.786 1.00 0.00 O ATOM 62 CB TYR A 5 -0.622 1.409 5.696 1.00 0.00 C ATOM 63 CG TYR A 5 -1.806 2.110 5.047 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.361 1.650 3.860 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.366 3.242 5.631 1.00 0.00 C ATOM 66 CE1 TYR A 5 -3.432 2.293 3.273 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.441 3.891 5.049 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.970 3.412 3.870 1.00 0.00 C ATOM 69 OH TYR A 5 -5.040 4.052 3.283 1.00 0.00 O ATOM 0 H TYR A 5 0.340 2.417 3.080 1.00 0.00 H new ATOM 0 HA TYR A 5 1.475 1.020 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.953 0.441 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.300 1.993 6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.947 0.772 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.955 3.621 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.847 1.920 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.863 4.768 5.516 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.138 3.744 2.358 1.00 0.00 H new ATOM 79 N CYS A 6 0.786 -1.185 4.464 1.00 0.00 N ATOM 80 CA CYS A 6 0.657 -2.449 3.774 1.00 0.00 C ATOM 81 C CYS A 6 -0.652 -3.136 4.167 1.00 0.00 C ATOM 82 O CYS A 6 -0.921 -3.345 5.351 1.00 0.00 O ATOM 83 CB CYS A 6 1.852 -3.342 4.082 1.00 0.00 C ATOM 84 SG CYS A 6 2.240 -3.516 5.852 1.00 0.00 S ATOM 0 H CYS A 6 1.203 -1.252 5.393 1.00 0.00 H new ATOM 0 HA CYS A 6 0.636 -2.264 2.700 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.664 -4.332 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.728 -2.943 3.570 1.00 0.00 H new ATOM 89 N ARG A 7 -1.467 -3.478 3.176 1.00 0.00 N ATOM 90 CA ARG A 7 -2.748 -4.134 3.425 1.00 0.00 C ATOM 91 C ARG A 7 -2.860 -5.390 2.567 1.00 0.00 C ATOM 92 O ARG A 7 -2.416 -5.402 1.426 1.00 0.00 O ATOM 93 CB ARG A 7 -3.927 -3.197 3.119 1.00 0.00 C ATOM 94 CG ARG A 7 -3.828 -1.817 3.763 1.00 0.00 C ATOM 95 CD ARG A 7 -3.540 -1.894 5.256 1.00 0.00 C ATOM 96 NE ARG A 7 -4.566 -2.630 5.999 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.443 -2.975 7.284 1.00 0.00 C ATOM 98 NH1 ARG A 7 -3.317 -2.708 7.939 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.436 -3.604 7.908 1.00 0.00 N ATOM 0 H ARG A 7 -1.264 -3.312 2.190 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.789 -4.401 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.005 -3.074 2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.849 -3.674 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.040 -1.246 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.761 -1.276 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.573 -2.374 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.462 -0.884 5.658 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.421 -2.893 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.547 -2.240 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.223 -2.971 8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.296 -3.825 7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.337 -3.865 8.889 1.00 0.00 H new ATOM 113 N LYS A 8 -3.443 -6.445 3.127 1.00 0.00 N ATOM 114 CA LYS A 8 -3.598 -7.712 2.410 1.00 0.00 C ATOM 115 C LYS A 8 -4.552 -7.569 1.227 1.00 0.00 C ATOM 116 O LYS A 8 -4.437 -8.277 0.230 1.00 0.00 O ATOM 117 CB LYS A 8 -4.093 -8.809 3.359 1.00 0.00 C ATOM 118 CG LYS A 8 -4.114 -10.197 2.731 1.00 0.00 C ATOM 119 CD LYS A 8 -4.575 -11.263 3.714 1.00 0.00 C ATOM 120 CE LYS A 8 -6.037 -11.083 4.093 1.00 0.00 C ATOM 121 NZ LYS A 8 -6.506 -12.153 5.016 1.00 0.00 N ATOM 0 H LYS A 8 -3.817 -6.451 4.076 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.619 -7.995 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.454 -8.829 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.098 -8.558 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.776 -10.193 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.117 -10.446 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.432 -12.250 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.958 -11.221 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.173 -10.110 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.649 -11.087 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.507 -11.995 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.400 -13.080 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.939 -12.133 5.887 1.00 0.00 H new ATOM 135 N GLY A 9 -5.496 -6.649 1.351 1.00 0.00 N ATOM 136 CA GLY A 9 -6.455 -6.426 0.288 1.00 0.00 C ATOM 137 C GLY A 9 -5.911 -5.518 -0.797 1.00 0.00 C ATOM 138 O GLY A 9 -4.699 -5.352 -0.929 1.00 0.00 O ATOM 0 H GLY A 9 -5.616 -6.052 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.737 -7.383 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.361 -5.987 0.705 1.00 0.00 H new ATOM 142 N HIS A 10 -6.803 -4.910 -1.565 1.00 0.00 N ATOM 143 CA HIS A 10 -6.399 -4.004 -2.634 1.00 0.00 C ATOM 144 C HIS A 10 -6.081 -2.619 -2.072 1.00 0.00 C ATOM 145 O HIS A 10 -6.694 -1.627 -2.468 1.00 0.00 O ATOM 146 CB HIS A 10 -7.493 -3.905 -3.706 1.00 0.00 C ATOM 147 CG HIS A 10 -7.056 -3.207 -4.964 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.926 -2.882 -5.985 1.00 0.00 N ATOM 149 CD2 HIS A 10 -5.831 -2.781 -5.368 1.00 0.00 C ATOM 150 CE1 HIS A 10 -7.258 -2.289 -6.958 1.00 0.00 C ATOM 151 NE2 HIS A 10 -5.987 -2.216 -6.609 1.00 0.00 N ATOM 0 H HIS A 10 -7.812 -5.027 -1.469 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.498 -4.407 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.831 -4.910 -3.959 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -8.350 -3.376 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.907 -2.870 -4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.680 -1.925 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.241 -1.806 -7.171 1.00 0.00 H new ATOM 159 N CYS A 11 -5.123 -2.569 -1.152 1.00 0.00 N ATOM 160 CA CYS A 11 -4.707 -1.317 -0.526 1.00 0.00 C ATOM 161 C CYS A 11 -5.875 -0.670 0.222 1.00 0.00 C ATOM 162 O CYS A 11 -6.799 -1.355 0.665 1.00 0.00 O ATOM 163 CB CYS A 11 -4.151 -0.360 -1.589 1.00 0.00 C ATOM 164 SG CYS A 11 -2.962 -1.129 -2.743 1.00 0.00 S ATOM 0 H CYS A 11 -4.615 -3.389 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.922 -1.533 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.982 0.051 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.664 0.477 -1.089 1.00 0.00 H new ATOM 169 N LYS A 12 -5.823 0.647 0.353 1.00 0.00 N ATOM 170 CA LYS A 12 -6.863 1.413 1.033 1.00 0.00 C ATOM 171 C LYS A 12 -6.846 2.858 0.549 1.00 0.00 C ATOM 172 O LYS A 12 -5.775 3.452 0.414 1.00 0.00 O ATOM 173 CB LYS A 12 -6.670 1.386 2.557 1.00 0.00 C ATOM 174 CG LYS A 12 -7.246 0.159 3.251 1.00 0.00 C ATOM 175 CD LYS A 12 -8.761 0.084 3.112 1.00 0.00 C ATOM 176 CE LYS A 12 -9.455 1.279 3.754 1.00 0.00 C ATOM 177 NZ LYS A 12 -9.218 1.346 5.224 1.00 0.00 N ATOM 0 H LYS A 12 -5.059 1.218 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.823 0.954 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.604 1.443 2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.130 2.277 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.798 -0.740 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.979 0.181 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.026 0.036 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.122 -0.835 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.098 2.197 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.527 1.220 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.839 2.067 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.424 0.420 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.225 1.598 5.404 1.00 0.00 H new ATOM 191 N ARG A 13 -8.041 3.399 0.284 1.00 0.00 N ATOM 192 CA ARG A 13 -8.222 4.779 -0.196 1.00 0.00 C ATOM 193 C ARG A 13 -7.854 4.922 -1.676 1.00 0.00 C ATOM 194 O ARG A 13 -8.477 5.694 -2.403 1.00 0.00 O ATOM 195 CB ARG A 13 -7.430 5.779 0.662 1.00 0.00 C ATOM 196 CG ARG A 13 -7.529 7.219 0.181 1.00 0.00 C ATOM 197 CD ARG A 13 -6.863 8.179 1.152 1.00 0.00 C ATOM 198 NE ARG A 13 -7.607 8.297 2.408 1.00 0.00 N ATOM 199 CZ ARG A 13 -7.189 9.001 3.461 1.00 0.00 C ATOM 200 NH1 ARG A 13 -6.007 9.611 3.431 1.00 0.00 N ATOM 201 NH2 ARG A 13 -7.950 9.087 4.548 1.00 0.00 N ATOM 0 H ARG A 13 -8.918 2.890 0.397 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.282 5.013 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.789 5.724 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.381 5.482 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.061 7.309 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.577 7.492 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.850 7.836 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.777 9.162 0.688 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.500 7.811 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.418 9.541 2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.690 10.149 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.854 8.615 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.630 9.625 5.353 1.00 0.00 H new ATOM 215 N GLY A 14 -6.857 4.173 -2.117 1.00 0.00 N ATOM 216 CA GLY A 14 -6.444 4.229 -3.501 1.00 0.00 C ATOM 217 C GLY A 14 -5.757 2.953 -3.933 1.00 0.00 C ATOM 218 O GLY A 14 -6.092 1.870 -3.452 1.00 0.00 O ATOM 0 H GLY A 14 -6.324 3.524 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.314 4.406 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.769 5.072 -3.645 1.00 0.00 H new ATOM 222 N GLY A 15 -4.792 3.074 -4.829 1.00 0.00 N ATOM 223 CA GLY A 15 -4.078 1.907 -5.301 1.00 0.00 C ATOM 224 C GLY A 15 -2.663 2.232 -5.714 1.00 0.00 C ATOM 225 O GLY A 15 -2.184 1.764 -6.744 1.00 0.00 O ATOM 0 H GLY A 15 -4.490 3.958 -5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.061 1.151 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.611 1.475 -6.148 1.00 0.00 H new ATOM 229 N ARG A 16 -1.986 3.028 -4.901 1.00 0.00 N ATOM 230 CA ARG A 16 -0.609 3.404 -5.178 1.00 0.00 C ATOM 231 C ARG A 16 0.329 2.371 -4.566 1.00 0.00 C ATOM 232 O ARG A 16 1.003 2.635 -3.565 1.00 0.00 O ATOM 233 CB ARG A 16 -0.308 4.800 -4.625 1.00 0.00 C ATOM 234 CG ARG A 16 1.066 5.326 -5.010 1.00 0.00 C ATOM 235 CD ARG A 16 1.349 6.660 -4.345 1.00 0.00 C ATOM 236 NE ARG A 16 2.682 7.170 -4.667 1.00 0.00 N ATOM 237 CZ ARG A 16 3.174 8.306 -4.172 1.00 0.00 C ATOM 238 NH1 ARG A 16 2.454 9.018 -3.315 1.00 0.00 N ATOM 239 NH2 ARG A 16 4.384 8.726 -4.527 1.00 0.00 N ATOM 0 H ARG A 16 -2.368 3.426 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.456 3.432 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.067 5.495 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.387 4.775 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.829 4.603 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.126 5.436 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.599 7.386 -4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.255 6.552 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 16 3.266 6.628 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.527 8.696 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.827 9.888 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.942 8.178 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.754 9.596 -4.145 1.00 0.00 H new ATOM 253 N VAL A 17 0.335 1.187 -5.160 1.00 0.00 N ATOM 254 CA VAL A 17 1.159 0.086 -4.683 1.00 0.00 C ATOM 255 C VAL A 17 2.639 0.381 -4.893 1.00 0.00 C ATOM 256 O VAL A 17 3.056 0.805 -5.970 1.00 0.00 O ATOM 257 CB VAL A 17 0.808 -1.238 -5.396 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.460 -2.421 -4.695 1.00 0.00 C ATOM 259 CG2 VAL A 17 -0.699 -1.427 -5.482 1.00 0.00 C ATOM 0 H VAL A 17 -0.227 0.963 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 17 0.955 -0.020 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 17 1.201 -1.186 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.198 -3.342 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.543 -2.296 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.107 -2.473 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.920 -2.367 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.121 -1.449 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.138 -0.601 -6.042 1.00 0.00 H new ATOM 269 N ARG A 18 3.422 0.146 -3.858 1.00 0.00 N ATOM 270 CA ARG A 18 4.858 0.363 -3.906 1.00 0.00 C ATOM 271 C ARG A 18 5.589 -0.957 -3.751 1.00 0.00 C ATOM 272 O ARG A 18 6.738 -1.095 -4.168 1.00 0.00 O ATOM 273 CB ARG A 18 5.299 1.331 -2.813 1.00 0.00 C ATOM 274 CG ARG A 18 4.968 2.780 -3.113 1.00 0.00 C ATOM 275 CD ARG A 18 5.274 3.669 -1.922 1.00 0.00 C ATOM 276 NE ARG A 18 6.665 3.566 -1.485 1.00 0.00 N ATOM 277 CZ ARG A 18 7.145 4.163 -0.392 1.00 0.00 C ATOM 278 NH1 ARG A 18 6.344 4.901 0.372 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.425 4.018 -0.062 1.00 0.00 N ATOM 0 H ARG A 18 3.083 -0.200 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 18 5.105 0.800 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.824 1.046 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.375 1.236 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.541 3.115 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.914 2.868 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.054 4.705 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.617 3.401 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 18 7.305 3.006 -2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.361 5.011 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.713 5.356 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.041 3.450 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.791 4.475 0.773 1.00 0.00 H new ATOM 293 N GLY A 19 4.921 -1.925 -3.143 1.00 0.00 N ATOM 294 CA GLY A 19 5.535 -3.221 -2.944 1.00 0.00 C ATOM 295 C GLY A 19 4.707 -4.117 -2.064 1.00 0.00 C ATOM 296 O GLY A 19 3.478 -4.088 -2.111 1.00 0.00 O ATOM 0 H GLY A 19 3.970 -1.838 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.684 -3.702 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.521 -3.089 -2.499 1.00 0.00 H new ATOM 300 N THR A 20 5.378 -4.907 -1.253 1.00 0.00 N ATOM 301 CA THR A 20 4.713 -5.820 -0.344 1.00 0.00 C ATOM 302 C THR A 20 5.249 -5.649 1.072 1.00 0.00 C ATOM 303 O THR A 20 6.367 -5.179 1.268 1.00 0.00 O ATOM 304 CB THR A 20 4.887 -7.284 -0.791 1.00 0.00 C ATOM 305 OG1 THR A 20 6.250 -7.523 -1.163 1.00 0.00 O ATOM 306 CG2 THR A 20 3.971 -7.613 -1.961 1.00 0.00 C ATOM 0 H THR A 20 6.396 -4.936 -1.204 1.00 0.00 H new ATOM 0 HA THR A 20 3.650 -5.580 -0.358 1.00 0.00 H new ATOM 0 HB THR A 20 4.619 -7.928 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.354 -8.456 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.115 -8.653 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.933 -7.461 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.207 -6.962 -2.802 1.00 0.00 H new ATOM 314 N CYS A 21 4.445 -6.028 2.054 1.00 0.00 N ATOM 315 CA CYS A 21 4.835 -5.917 3.453 1.00 0.00 C ATOM 316 C CYS A 21 5.564 -7.185 3.889 1.00 0.00 C ATOM 317 O CYS A 21 5.334 -7.701 4.982 1.00 0.00 O ATOM 318 CB CYS A 21 3.598 -5.719 4.326 1.00 0.00 C ATOM 319 SG CYS A 21 3.875 -4.713 5.819 1.00 0.00 S ATOM 0 H CYS A 21 3.514 -6.417 1.907 1.00 0.00 H new ATOM 0 HA CYS A 21 5.498 -5.059 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.818 -5.249 3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.222 -6.697 4.627 1.00 0.00 H new ATOM 324 N GLY A 22 6.416 -7.699 3.011 1.00 0.00 N ATOM 325 CA GLY A 22 7.146 -8.924 3.293 1.00 0.00 C ATOM 326 C GLY A 22 6.278 -10.146 3.133 1.00 0.00 C ATOM 327 O GLY A 22 6.554 -11.040 2.330 1.00 0.00 O ATOM 0 H GLY A 22 6.617 -7.286 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.003 -8.998 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.537 -8.887 4.310 1.00 0.00 H new ATOM 331 N ILE A 23 5.210 -10.150 3.884 1.00 0.00 N ATOM 332 CA ILE A 23 4.230 -11.219 3.854 1.00 0.00 C ATOM 333 C ILE A 23 3.245 -11.004 2.713 1.00 0.00 C ATOM 334 O ILE A 23 3.525 -10.268 1.765 1.00 0.00 O ATOM 335 CB ILE A 23 3.475 -11.326 5.197 1.00 0.00 C ATOM 336 CG1 ILE A 23 2.984 -9.945 5.652 1.00 0.00 C ATOM 337 CG2 ILE A 23 4.372 -11.959 6.253 1.00 0.00 C ATOM 338 CD1 ILE A 23 2.277 -9.958 6.992 1.00 0.00 C ATOM 0 H ILE A 23 4.987 -9.405 4.544 1.00 0.00 H new ATOM 0 HA ILE A 23 4.763 -12.156 3.691 1.00 0.00 H new ATOM 0 HB ILE A 23 2.602 -11.964 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.836 -9.267 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.306 -9.544 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.830 -12.030 7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.668 -12.957 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.261 -11.344 6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.960 -8.947 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.405 -10.609 6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.958 -10.328 7.759 1.00 0.00 H new ATOM 350 N ARG A 24 2.097 -11.649 2.795 1.00 0.00 N ATOM 351 CA ARG A 24 1.076 -11.531 1.757 1.00 0.00 C ATOM 352 C ARG A 24 0.250 -10.255 1.918 1.00 0.00 C ATOM 353 O ARG A 24 -0.977 -10.291 1.918 1.00 0.00 O ATOM 354 CB ARG A 24 0.170 -12.766 1.753 1.00 0.00 C ATOM 355 CG ARG A 24 0.895 -14.066 1.416 1.00 0.00 C ATOM 356 CD ARG A 24 1.496 -14.046 0.010 1.00 0.00 C ATOM 357 NE ARG A 24 2.706 -13.218 -0.079 1.00 0.00 N ATOM 358 CZ ARG A 24 3.894 -13.551 0.443 1.00 0.00 C ATOM 359 NH1 ARG A 24 4.072 -14.741 1.009 1.00 0.00 N ATOM 360 NH2 ARG A 24 4.907 -12.693 0.382 1.00 0.00 N ATOM 0 H ARG A 24 1.842 -12.263 3.569 1.00 0.00 H new ATOM 0 HA ARG A 24 1.587 -11.469 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.296 -12.865 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.633 -12.612 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.687 -14.238 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.199 -14.900 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.736 -15.065 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.752 -13.671 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 24 2.637 -12.328 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.301 -15.408 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.980 -14.987 1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.779 -11.783 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.813 -12.944 0.779 1.00 0.00 H new ATOM 374 N PHE A 25 0.940 -9.128 2.045 1.00 0.00 N ATOM 375 CA PHE A 25 0.295 -7.828 2.193 1.00 0.00 C ATOM 376 C PHE A 25 0.884 -6.852 1.184 1.00 0.00 C ATOM 377 O PHE A 25 2.100 -6.802 1.011 1.00 0.00 O ATOM 378 CB PHE A 25 0.492 -7.268 3.610 1.00 0.00 C ATOM 379 CG PHE A 25 -0.401 -7.873 4.660 1.00 0.00 C ATOM 380 CD1 PHE A 25 -0.437 -9.240 4.865 1.00 0.00 C ATOM 381 CD2 PHE A 25 -1.204 -7.062 5.445 1.00 0.00 C ATOM 382 CE1 PHE A 25 -1.256 -9.791 5.832 1.00 0.00 C ATOM 383 CE2 PHE A 25 -2.025 -7.605 6.413 1.00 0.00 C ATOM 384 CZ PHE A 25 -2.053 -8.972 6.606 1.00 0.00 C ATOM 0 H PHE A 25 1.959 -9.089 2.048 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.773 -7.956 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.530 -7.421 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.323 -6.191 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.183 -9.886 4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.188 -5.992 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.272 -10.860 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.645 -6.961 7.019 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.697 -9.399 7.361 1.00 0.00 H new ATOM 394 N LEU A 26 0.034 -6.083 0.525 1.00 0.00 N ATOM 395 CA LEU A 26 0.488 -5.112 -0.460 1.00 0.00 C ATOM 396 C LEU A 26 0.773 -3.773 0.206 1.00 0.00 C ATOM 397 O LEU A 26 -0.067 -3.233 0.923 1.00 0.00 O ATOM 398 CB LEU A 26 -0.550 -4.920 -1.573 1.00 0.00 C ATOM 399 CG LEU A 26 -0.772 -6.120 -2.504 1.00 0.00 C ATOM 400 CD1 LEU A 26 -1.581 -7.210 -1.815 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.463 -5.674 -3.784 1.00 0.00 C ATOM 0 H LEU A 26 -0.977 -6.111 0.654 1.00 0.00 H new ATOM 0 HA LEU A 26 1.405 -5.498 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.504 -4.662 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.248 -4.066 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 26 0.203 -6.536 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.722 -8.046 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.048 -7.553 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.553 -6.812 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.614 -6.535 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.428 -5.229 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.843 -4.938 -4.295 1.00 0.00 H new ATOM 413 N TYR A 27 1.950 -3.234 -0.045 1.00 0.00 N ATOM 414 CA TYR A 27 2.341 -1.949 0.510 1.00 0.00 C ATOM 415 C TYR A 27 1.919 -0.846 -0.449 1.00 0.00 C ATOM 416 O TYR A 27 2.446 -0.757 -1.562 1.00 0.00 O ATOM 417 CB TYR A 27 3.856 -1.916 0.738 1.00 0.00 C ATOM 418 CG TYR A 27 4.363 -0.638 1.370 1.00 0.00 C ATOM 419 CD1 TYR A 27 3.820 -0.160 2.556 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.391 0.085 0.781 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.288 1.003 3.135 1.00 0.00 C ATOM 422 CE2 TYR A 27 5.865 1.248 1.353 1.00 0.00 C ATOM 423 CZ TYR A 27 5.311 1.704 2.530 1.00 0.00 C ATOM 424 OH TYR A 27 5.778 2.866 3.103 1.00 0.00 O ATOM 0 H TYR A 27 2.659 -3.669 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 27 1.849 -1.796 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.134 -2.757 1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.359 -2.059 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.020 -0.706 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.828 -0.269 -0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.855 1.362 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.666 1.798 0.881 1.00 0.00 H new ATOM 0 HH TYR A 27 6.499 3.235 2.552 1.00 0.00 H new ATOM 434 N CYS A 28 0.958 -0.028 -0.029 1.00 0.00 N ATOM 435 CA CYS A 28 0.452 1.046 -0.875 1.00 0.00 C ATOM 436 C CYS A 28 0.302 2.347 -0.098 1.00 0.00 C ATOM 437 O CYS A 28 0.077 2.344 1.114 1.00 0.00 O ATOM 438 CB CYS A 28 -0.920 0.681 -1.450 1.00 0.00 C ATOM 439 SG CYS A 28 -1.197 -1.095 -1.738 1.00 0.00 S ATOM 0 H CYS A 28 0.516 -0.089 0.888 1.00 0.00 H new ATOM 0 HA CYS A 28 1.178 1.181 -1.677 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.689 1.046 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.052 1.210 -2.394 1.00 0.00 H new ATOM 444 N CYS A 29 0.392 3.456 -0.812 1.00 0.00 N ATOM 445 CA CYS A 29 0.223 4.769 -0.212 1.00 0.00 C ATOM 446 C CYS A 29 -1.199 5.253 -0.472 1.00 0.00 C ATOM 447 O CYS A 29 -1.754 4.995 -1.541 1.00 0.00 O ATOM 448 CB CYS A 29 1.236 5.759 -0.781 1.00 0.00 C ATOM 449 SG CYS A 29 2.969 5.264 -0.521 1.00 0.00 S ATOM 0 H CYS A 29 0.582 3.473 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 29 0.395 4.699 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.057 5.874 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.074 6.735 -0.323 1.00 0.00 H new ATOM 454 N PRO A 30 -1.817 5.933 0.508 1.00 0.00 N ATOM 455 CA PRO A 30 -3.196 6.431 0.389 1.00 0.00 C ATOM 456 C PRO A 30 -3.417 7.293 -0.854 1.00 0.00 C ATOM 457 O PRO A 30 -4.427 7.151 -1.541 1.00 0.00 O ATOM 458 CB PRO A 30 -3.383 7.264 1.659 1.00 0.00 C ATOM 459 CG PRO A 30 -2.420 6.684 2.634 1.00 0.00 C ATOM 460 CD PRO A 30 -1.232 6.246 1.825 1.00 0.00 C ATOM 0 HA PRO A 30 -3.909 5.613 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.175 8.318 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.407 7.200 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.132 7.420 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.862 5.842 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.481 7.033 1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.744 5.377 2.265 1.00 0.00 H new ATOM 468 N ARG A 31 -2.464 8.176 -1.141 1.00 0.00 N ATOM 469 CA ARG A 31 -2.542 9.054 -2.307 1.00 0.00 C ATOM 470 C ARG A 31 -1.145 9.477 -2.746 1.00 0.00 C ATOM 471 O ARG A 31 -0.170 8.764 -2.502 1.00 0.00 O ATOM 472 CB ARG A 31 -3.397 10.295 -2.009 1.00 0.00 C ATOM 473 CG ARG A 31 -4.890 10.075 -2.197 1.00 0.00 C ATOM 474 CD ARG A 31 -5.681 11.352 -1.957 1.00 0.00 C ATOM 475 NE ARG A 31 -7.105 11.174 -2.247 1.00 0.00 N ATOM 476 CZ ARG A 31 -8.021 12.136 -2.125 1.00 0.00 C ATOM 477 NH1 ARG A 31 -7.669 13.348 -1.703 1.00 0.00 N ATOM 478 NH2 ARG A 31 -9.291 11.886 -2.427 1.00 0.00 N ATOM 0 H ARG A 31 -1.623 8.303 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.017 8.497 -3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.213 10.613 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.075 11.110 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.080 9.713 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.233 9.300 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.558 11.666 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.280 12.150 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.417 10.255 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.695 13.545 -1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.373 14.080 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.565 10.959 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.992 12.621 -2.334 1.00 0.00 H new ATOM 492 N ARG A 32 -1.054 10.638 -3.385 1.00 0.00 N ATOM 493 CA ARG A 32 0.223 11.160 -3.853 1.00 0.00 C ATOM 494 C ARG A 32 0.985 11.801 -2.704 1.00 0.00 C ATOM 495 O ARG A 32 0.350 12.497 -1.887 1.00 0.00 O ATOM 496 CB ARG A 32 0.010 12.180 -4.974 1.00 0.00 C ATOM 497 CG ARG A 32 -0.657 11.597 -6.210 1.00 0.00 C ATOM 498 CD ARG A 32 -0.829 12.633 -7.317 1.00 0.00 C ATOM 499 NE ARG A 32 0.445 13.031 -7.930 1.00 0.00 N ATOM 500 CZ ARG A 32 1.196 14.061 -7.524 1.00 0.00 C ATOM 501 NH1 ARG A 32 0.778 14.853 -6.541 1.00 0.00 N ATOM 502 NH2 ARG A 32 2.358 14.311 -8.122 1.00 0.00 N ATOM 503 OXT ARG A 32 2.215 11.604 -2.618 1.00 0.00 O ATOM 0 H ARG A 32 -1.853 11.237 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 32 0.809 10.329 -4.245 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.599 13.001 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.974 12.603 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.061 10.765 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.632 11.194 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.486 12.229 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.321 13.516 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 32 0.781 12.483 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.120 14.677 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.356 15.636 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.675 13.718 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.932 15.096 -7.814 1.00 0.00 H new TER 517 ARG A 32