USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 150 hydrogens (14 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 3 ABA HN2 : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA HN2 : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD NoAdj-H: A 16 ABA H : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0506 (180deg=-0.0506) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.031 -0.900 1.684 1.00 0.00 N ATOM 2 CA GLY A 1 -11.426 -2.279 1.705 1.00 0.00 C ATOM 3 C GLY A 1 -10.586 -3.169 0.798 1.00 0.00 C ATOM 4 O GLY A 1 -10.566 -4.383 0.967 1.00 0.00 O ATOM 0 H2 GLY A 1 -11.644 -0.354 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.360 -2.651 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.471 -2.353 1.406 1.00 0.00 H new ATOM 8 N VAL A 2 -9.883 -2.581 -0.148 1.00 0.00 N ATOM 9 CA VAL A 2 -9.066 -3.363 -1.069 1.00 0.00 C ATOM 10 C VAL A 2 -7.634 -3.404 -0.558 1.00 0.00 C ATOM 11 O VAL A 2 -7.032 -2.362 -0.325 1.00 0.00 O ATOM 12 CB VAL A 2 -9.094 -2.770 -2.506 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.273 -3.621 -3.475 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.529 -2.632 -3.005 1.00 0.00 C ATOM 0 H VAL A 2 -9.857 -1.573 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.477 -4.371 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.643 -1.779 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.313 -3.179 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.238 -3.661 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.682 -4.631 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.525 -2.215 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.005 -3.612 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.083 -1.970 -2.340 1.00 0.00 H new HETATM 24 N ABA A 3 -7.108 -4.593 -0.355 1.00 0.00 N HETATM 25 CA ABA A 3 -5.756 -4.756 0.145 1.00 0.00 C HETATM 26 C ABA A 3 -4.739 -4.469 -0.971 1.00 0.00 C HETATM 27 O ABA A 3 -4.240 -5.367 -1.641 1.00 0.00 O HETATM 28 CB ABA A 3 -5.570 -6.164 0.742 1.00 0.00 C HETATM 29 CG ABA A 3 -4.224 -6.391 1.405 1.00 0.00 C HETATM 0 HG3 ABA A 3 -4.096 -5.680 2.222 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -3.429 -6.249 0.673 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -4.178 -7.407 1.798 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -5.700 -6.901 -0.050 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -6.357 -6.341 1.475 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.581 -4.036 0.945 1.00 0.00 H new ATOM 37 N ARG A 4 -4.483 -3.208 -1.161 1.00 0.00 N ATOM 38 CA ARG A 4 -3.560 -2.707 -2.150 1.00 0.00 C ATOM 39 C ARG A 4 -2.170 -2.739 -1.560 1.00 0.00 C ATOM 40 O ARG A 4 -1.861 -1.985 -0.625 1.00 0.00 O ATOM 41 CB ARG A 4 -3.976 -1.263 -2.505 1.00 0.00 C ATOM 42 CG ARG A 4 -3.063 -0.450 -3.442 1.00 0.00 C ATOM 43 CD ARG A 4 -2.922 -1.047 -4.836 1.00 0.00 C ATOM 44 NE ARG A 4 -1.849 -2.050 -4.931 1.00 0.00 N ATOM 45 CZ ARG A 4 -1.720 -2.945 -5.920 1.00 0.00 C ATOM 46 NH1 ARG A 4 -2.667 -3.073 -6.840 1.00 0.00 N ATOM 47 NH2 ARG A 4 -0.641 -3.714 -5.973 1.00 0.00 N ATOM 0 H ARG A 4 -4.925 -2.469 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.572 -3.313 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.966 -1.304 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.076 -0.707 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.457 0.562 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.074 -0.369 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.867 -1.507 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.726 -0.246 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.151 -2.065 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.501 -2.488 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.561 -3.757 -7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.086 -3.623 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.538 -4.397 -6.724 1.00 0.00 H new ATOM 61 N CYS A 5 -1.345 -3.606 -2.055 1.00 0.00 N ATOM 62 CA CYS A 5 -0.018 -3.675 -1.538 1.00 0.00 C ATOM 63 C CYS A 5 0.889 -2.869 -2.405 1.00 0.00 C ATOM 64 O CYS A 5 0.769 -2.880 -3.641 1.00 0.00 O ATOM 65 CB CYS A 5 0.484 -5.107 -1.407 1.00 0.00 C ATOM 66 SG CYS A 5 -0.666 -6.240 -0.540 1.00 0.00 S ATOM 0 H CYS A 5 -1.562 -4.265 -2.803 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.026 -3.262 -0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.681 -5.502 -2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.435 -5.098 -0.875 1.00 0.00 H new ATOM 71 N VAL A 6 1.741 -2.149 -1.772 1.00 0.00 N ATOM 72 CA VAL A 6 2.656 -1.275 -2.451 1.00 0.00 C ATOM 73 C VAL A 6 4.039 -1.383 -1.822 1.00 0.00 C ATOM 74 O VAL A 6 4.165 -1.569 -0.601 1.00 0.00 O ATOM 75 CB VAL A 6 2.135 0.208 -2.417 1.00 0.00 C ATOM 76 CG1 VAL A 6 1.986 0.733 -0.990 1.00 0.00 C ATOM 77 CG2 VAL A 6 3.012 1.140 -3.252 1.00 0.00 C ATOM 0 H VAL A 6 1.832 -2.142 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 6 2.726 -1.579 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 6 1.142 0.195 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.624 1.761 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.275 0.111 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.953 0.702 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.616 2.154 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.030 1.127 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.016 0.804 -4.289 1.00 0.00 H new ATOM 87 N CYS A 7 5.052 -1.353 -2.639 1.00 0.00 N ATOM 88 CA CYS A 7 6.401 -1.330 -2.153 1.00 0.00 C ATOM 89 C CYS A 7 7.022 -0.020 -2.511 1.00 0.00 C ATOM 90 O CYS A 7 6.979 0.411 -3.668 1.00 0.00 O ATOM 91 CB CYS A 7 7.237 -2.468 -2.694 1.00 0.00 C ATOM 92 SG CYS A 7 6.629 -4.140 -2.279 1.00 0.00 S ATOM 0 H CYS A 7 4.967 -1.344 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 7 6.369 -1.456 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.290 -2.376 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.254 -2.363 -2.316 1.00 0.00 H new ATOM 97 N ARG A 8 7.579 0.602 -1.540 1.00 0.00 N ATOM 98 CA ARG A 8 8.171 1.913 -1.701 1.00 0.00 C ATOM 99 C ARG A 8 9.321 2.094 -0.739 1.00 0.00 C ATOM 100 O ARG A 8 9.186 1.806 0.452 1.00 0.00 O ATOM 101 CB ARG A 8 7.112 3.012 -1.478 1.00 0.00 C ATOM 102 CG ARG A 8 7.659 4.437 -1.512 1.00 0.00 C ATOM 103 CD ARG A 8 6.547 5.461 -1.370 1.00 0.00 C ATOM 104 NE ARG A 8 5.621 5.414 -2.506 1.00 0.00 N ATOM 105 CZ ARG A 8 4.477 6.100 -2.614 1.00 0.00 C ATOM 106 NH1 ARG A 8 4.024 6.828 -1.598 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.771 6.025 -3.729 1.00 0.00 N ATOM 0 H ARG A 8 7.647 0.227 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 8 8.552 1.997 -2.719 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.340 2.915 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.631 2.844 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.383 4.570 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.190 4.602 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.999 5.278 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.978 6.459 -1.293 1.00 0.00 H new ATOM 0 HE ARG A 8 5.871 4.804 -3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.550 6.868 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.151 7.347 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.099 5.446 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.898 6.546 -3.816 1.00 0.00 H new ATOM 121 N ARG A 9 10.465 2.530 -1.273 1.00 0.00 N ATOM 122 CA ARG A 9 11.671 2.849 -0.492 1.00 0.00 C ATOM 123 C ARG A 9 12.238 1.586 0.187 1.00 0.00 C ATOM 124 O ARG A 9 12.975 1.653 1.178 1.00 0.00 O ATOM 125 CB ARG A 9 11.330 3.956 0.521 1.00 0.00 C ATOM 126 CG ARG A 9 12.491 4.570 1.290 1.00 0.00 C ATOM 127 CD ARG A 9 11.977 5.643 2.233 1.00 0.00 C ATOM 128 NE ARG A 9 11.347 6.748 1.502 1.00 0.00 N ATOM 129 CZ ARG A 9 10.188 7.333 1.826 1.00 0.00 C ATOM 130 NH1 ARG A 9 9.483 6.896 2.866 1.00 0.00 N ATOM 131 NH2 ARG A 9 9.730 8.345 1.092 1.00 0.00 N ATOM 0 H ARG A 9 10.585 2.675 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 9 12.455 3.217 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.816 4.756 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.623 3.548 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.014 3.798 1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.212 5.000 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.257 5.206 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.802 6.027 2.833 1.00 0.00 H new ATOM 0 HE ARG A 9 11.833 7.100 0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.825 6.111 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.600 7.345 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.262 8.672 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.847 8.793 1.336 1.00 0.00 H new ATOM 145 N GLY A 10 11.894 0.438 -0.362 1.00 0.00 N ATOM 146 CA GLY A 10 12.332 -0.811 0.187 1.00 0.00 C ATOM 147 C GLY A 10 11.372 -1.346 1.219 1.00 0.00 C ATOM 148 O GLY A 10 11.614 -2.382 1.822 1.00 0.00 O ATOM 0 H GLY A 10 11.308 0.354 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.443 -1.540 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.315 -0.682 0.640 1.00 0.00 H new ATOM 152 N VAL A 11 10.280 -0.644 1.426 1.00 0.00 N ATOM 153 CA VAL A 11 9.297 -1.054 2.385 1.00 0.00 C ATOM 154 C VAL A 11 8.073 -1.527 1.647 1.00 0.00 C ATOM 155 O VAL A 11 7.507 -0.791 0.840 1.00 0.00 O ATOM 156 CB VAL A 11 8.894 0.113 3.337 1.00 0.00 C ATOM 157 CG1 VAL A 11 7.877 -0.354 4.377 1.00 0.00 C ATOM 158 CG2 VAL A 11 10.115 0.714 4.020 1.00 0.00 C ATOM 0 H VAL A 11 10.056 0.221 0.934 1.00 0.00 H new ATOM 0 HA VAL A 11 9.724 -1.852 2.993 1.00 0.00 H new ATOM 0 HB VAL A 11 8.430 0.888 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.613 0.480 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.982 -0.718 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.309 -1.157 4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.802 1.525 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.619 -0.054 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.800 1.102 3.266 1.00 0.00 H new ATOM 168 N CYS A 12 7.693 -2.732 1.875 1.00 0.00 N ATOM 169 CA CYS A 12 6.496 -3.243 1.292 1.00 0.00 C ATOM 170 C CYS A 12 5.415 -3.232 2.332 1.00 0.00 C ATOM 171 O CYS A 12 5.644 -3.625 3.476 1.00 0.00 O ATOM 172 CB CYS A 12 6.694 -4.641 0.719 1.00 0.00 C ATOM 173 SG CYS A 12 7.816 -4.707 -0.721 1.00 0.00 S ATOM 0 H CYS A 12 8.197 -3.393 2.467 1.00 0.00 H new ATOM 0 HA CYS A 12 6.209 -2.607 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.087 -5.290 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.724 -5.043 0.428 1.00 0.00 H new ATOM 178 N ARG A 13 4.276 -2.736 1.977 1.00 0.00 N ATOM 179 CA ARG A 13 3.205 -2.647 2.905 1.00 0.00 C ATOM 180 C ARG A 13 1.887 -2.873 2.214 1.00 0.00 C ATOM 181 O ARG A 13 1.600 -2.260 1.174 1.00 0.00 O ATOM 182 CB ARG A 13 3.251 -1.277 3.594 1.00 0.00 C ATOM 183 CG ARG A 13 2.191 -1.042 4.652 1.00 0.00 C ATOM 184 CD ARG A 13 2.474 0.247 5.397 1.00 0.00 C ATOM 185 NE ARG A 13 1.508 0.505 6.465 1.00 0.00 N ATOM 186 CZ ARG A 13 1.748 1.290 7.530 1.00 0.00 C ATOM 187 NH1 ARG A 13 2.982 1.753 7.763 1.00 0.00 N ATOM 188 NH2 ARG A 13 0.772 1.560 8.383 1.00 0.00 N ATOM 0 H ARG A 13 4.065 -2.385 1.043 1.00 0.00 H new ATOM 0 HA ARG A 13 3.309 -3.424 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.232 -1.154 4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.157 -0.503 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.207 -0.993 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.172 -1.878 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.477 0.204 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.462 1.079 4.693 1.00 0.00 H new ATOM 0 HE ARG A 13 0.593 0.060 6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.745 1.511 7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.159 2.348 8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.159 1.173 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.952 2.155 9.192 1.00 0.00 H new ATOM 202 N CYS A 14 1.125 -3.786 2.731 1.00 0.00 N ATOM 203 CA CYS A 14 -0.198 -3.988 2.261 1.00 0.00 C ATOM 204 C CYS A 14 -1.116 -3.082 2.996 1.00 0.00 C ATOM 205 O CYS A 14 -1.247 -3.163 4.222 1.00 0.00 O ATOM 206 CB CYS A 14 -0.658 -5.425 2.365 1.00 0.00 C ATOM 207 SG CYS A 14 0.216 -6.574 1.257 1.00 0.00 S ATOM 0 H CYS A 14 1.407 -4.408 3.489 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.210 -3.753 1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.529 -5.762 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.725 -5.469 2.147 1.00 0.00 H new ATOM 212 N VAL A 15 -1.714 -2.196 2.278 1.00 0.00 N ATOM 213 CA VAL A 15 -2.563 -1.212 2.884 1.00 0.00 C ATOM 214 C VAL A 15 -3.984 -1.437 2.439 1.00 0.00 C ATOM 215 O VAL A 15 -4.255 -1.590 1.242 1.00 0.00 O ATOM 216 CB VAL A 15 -2.125 0.245 2.530 1.00 0.00 C ATOM 217 CG1 VAL A 15 -2.948 1.268 3.307 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.645 0.456 2.799 1.00 0.00 C ATOM 0 H VAL A 15 -1.634 -2.127 1.263 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.482 -1.323 3.965 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.305 0.389 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.623 2.274 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.003 1.151 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.807 1.111 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.371 1.479 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.438 0.278 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.063 -0.238 2.193 1.00 0.00 H new HETATM 228 N ABA A 16 -4.872 -1.502 3.385 1.00 0.00 N HETATM 229 CA ABA A 16 -6.265 -1.642 3.103 1.00 0.00 C HETATM 230 C ABA A 16 -6.770 -0.300 2.595 1.00 0.00 C HETATM 231 O ABA A 16 -6.946 0.645 3.355 1.00 0.00 O HETATM 232 CB ABA A 16 -7.026 -2.081 4.359 1.00 0.00 C HETATM 233 CG ABA A 16 -8.493 -2.364 4.118 1.00 0.00 C HETATM 0 HG3 ABA A 16 -8.594 -3.163 3.384 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -8.980 -1.464 3.743 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -8.963 -2.669 5.053 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -6.936 -1.303 5.117 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -6.555 -2.977 4.763 1.00 0.00 H new HETATM 0 HA ABA A 16 -6.428 -2.410 2.347 1.00 0.00 H new ATOM 241 N ARG A 17 -6.918 -0.212 1.311 1.00 0.00 N ATOM 242 CA ARG A 17 -7.343 0.981 0.651 1.00 0.00 C ATOM 243 C ARG A 17 -8.792 0.850 0.286 1.00 0.00 C ATOM 244 O ARG A 17 -9.139 0.221 -0.731 1.00 0.00 O ATOM 245 CB ARG A 17 -6.505 1.221 -0.610 1.00 0.00 C ATOM 246 CG ARG A 17 -5.014 1.388 -0.350 1.00 0.00 C ATOM 247 CD ARG A 17 -4.724 2.574 0.545 1.00 0.00 C ATOM 248 NE ARG A 17 -5.176 3.837 -0.050 1.00 0.00 N ATOM 249 CZ ARG A 17 -5.221 5.007 0.584 1.00 0.00 C ATOM 250 NH1 ARG A 17 -5.046 5.064 1.900 1.00 0.00 N ATOM 251 NH2 ARG A 17 -5.518 6.108 -0.093 1.00 0.00 N ATOM 0 H ARG A 17 -6.742 -0.990 0.675 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.208 1.831 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.651 0.385 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.876 2.113 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.623 0.481 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.492 1.514 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.216 2.430 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.653 2.628 0.739 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.479 3.817 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.876 4.209 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.081 5.963 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.710 6.055 -1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.554 7.007 0.387 1.00 0.00 H new ATOM 265 N ARG A 18 -9.636 1.377 1.150 1.00 0.00 N ATOM 266 CA ARG A 18 -11.077 1.402 0.978 1.00 0.00 C ATOM 267 C ARG A 18 -11.617 -0.030 0.888 1.00 0.00 C ATOM 268 O ARG A 18 -12.530 -0.347 0.115 1.00 0.00 O ATOM 269 CB ARG A 18 -11.433 2.250 -0.245 1.00 0.00 C ATOM 270 CG ARG A 18 -12.892 2.660 -0.376 1.00 0.00 C ATOM 271 CD ARG A 18 -13.067 3.587 -1.565 1.00 0.00 C ATOM 272 NE ARG A 18 -12.221 4.785 -1.437 1.00 0.00 N ATOM 273 CZ ARG A 18 -11.552 5.369 -2.436 1.00 0.00 C ATOM 274 NH1 ARG A 18 -11.646 4.908 -3.685 1.00 0.00 N ATOM 275 NH2 ARG A 18 -10.793 6.416 -2.175 1.00 0.00 N ATOM 0 H ARG A 18 -9.329 1.814 2.019 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.553 1.866 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.824 3.154 -0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.151 1.696 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.517 1.776 -0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.221 3.159 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.814 3.057 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.113 3.884 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.139 5.203 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.234 4.100 -3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.130 5.364 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.722 6.770 -1.221 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.277 6.872 -2.927 1.00 0.00 H new TER 289 ARG A 18