USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 156 hydrogens (28 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 7 ABA HN2 : A 7 ABA N : A 6 VAL C :(H bumps) USER MOD NoAdj-H: A 7 ABA H : A 7 ABA N : A 6 VAL C :(H bumps) USER MOD NoAdj-H: A 12 ABA HN2 : A 12 ABA N : A 11 VAL C :(H bumps) USER MOD NoAdj-H: A 12 ABA H : A 12 ABA N : A 11 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= -0.0442 (180deg=-0.0442) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.220 -0.622 -3.137 1.00 0.00 N ATOM 2 CA GLY A 1 11.410 -2.022 -2.995 1.00 0.00 C ATOM 3 C GLY A 1 10.453 -2.655 -2.020 1.00 0.00 C ATOM 4 O GLY A 1 10.261 -3.868 -2.037 1.00 0.00 O ATOM 0 H2 GLY A 1 11.908 -0.246 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.295 -2.498 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.432 -2.212 -2.666 1.00 0.00 H new ATOM 8 N VAL A 2 9.850 -1.852 -1.170 1.00 0.00 N ATOM 9 CA VAL A 2 8.934 -2.361 -0.184 1.00 0.00 C ATOM 10 C VAL A 2 7.547 -2.439 -0.788 1.00 0.00 C ATOM 11 O VAL A 2 6.904 -1.411 -1.019 1.00 0.00 O ATOM 12 CB VAL A 2 8.907 -1.469 1.093 1.00 0.00 C ATOM 13 CG1 VAL A 2 7.959 -2.037 2.148 1.00 0.00 C ATOM 14 CG2 VAL A 2 10.306 -1.310 1.668 1.00 0.00 C ATOM 0 H VAL A 2 9.981 -0.841 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 2 9.270 -3.354 0.116 1.00 0.00 H new ATOM 0 HB VAL A 2 8.536 -0.486 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.963 -1.391 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.949 -2.088 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.287 -3.037 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.264 -0.684 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.705 -2.290 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.953 -0.843 0.926 1.00 0.00 H new HETATM 24 N ABA A 3 7.120 -3.635 -1.113 1.00 0.00 N HETATM 25 CA ABA A 3 5.788 -3.842 -1.630 1.00 0.00 C HETATM 26 C ABA A 3 4.814 -3.718 -0.474 1.00 0.00 C HETATM 27 O ABA A 3 4.804 -4.555 0.437 1.00 0.00 O HETATM 28 CB ABA A 3 5.671 -5.218 -2.300 1.00 0.00 C HETATM 29 CG ABA A 3 4.313 -5.491 -2.919 1.00 0.00 C HETATM 0 HG3 ABA A 3 4.105 -4.743 -3.684 1.00 0.00 H new HETATM 0 HG2 ABA A 3 3.545 -5.444 -2.147 1.00 0.00 H new HETATM 0 HG1 ABA A 3 4.312 -6.483 -3.371 1.00 0.00 H new HETATM 0 HB3 ABA A 3 5.883 -5.990 -1.560 1.00 0.00 H new HETATM 0 HB2 ABA A 3 6.434 -5.300 -3.074 1.00 0.00 H new HETATM 0 HA ABA A 3 5.561 -3.095 -2.391 1.00 0.00 H new ATOM 37 N ARG A 4 4.058 -2.664 -0.474 1.00 0.00 N ATOM 38 CA ARG A 4 3.136 -2.396 0.591 1.00 0.00 C ATOM 39 C ARG A 4 1.717 -2.392 0.080 1.00 0.00 C ATOM 40 O ARG A 4 1.397 -1.705 -0.899 1.00 0.00 O ATOM 41 CB ARG A 4 3.485 -1.060 1.259 1.00 0.00 C ATOM 42 CG ARG A 4 2.540 -0.638 2.376 1.00 0.00 C ATOM 43 CD ARG A 4 2.985 0.679 2.992 1.00 0.00 C ATOM 44 NE ARG A 4 4.264 0.546 3.697 1.00 0.00 N ATOM 45 CZ ARG A 4 5.240 1.467 3.753 1.00 0.00 C ATOM 46 NH1 ARG A 4 5.146 2.607 3.052 1.00 0.00 N ATOM 47 NH2 ARG A 4 6.315 1.242 4.509 1.00 0.00 N ATOM 0 H ARG A 4 4.061 -1.962 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 4 3.217 -3.188 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.496 -1.125 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.495 -0.281 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.528 -0.537 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.509 -1.411 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.078 1.433 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.222 1.032 3.686 1.00 0.00 H new ATOM 0 HE ARG A 4 4.428 -0.330 4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.327 2.781 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.893 3.300 3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.392 0.375 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.060 1.937 4.556 1.00 0.00 H new ATOM 61 N CYS A 5 0.895 -3.183 0.698 1.00 0.00 N ATOM 62 CA CYS A 5 -0.494 -3.233 0.384 1.00 0.00 C ATOM 63 C CYS A 5 -1.252 -2.389 1.376 1.00 0.00 C ATOM 64 O CYS A 5 -1.238 -2.644 2.583 1.00 0.00 O ATOM 65 CB CYS A 5 -1.003 -4.669 0.363 1.00 0.00 C ATOM 66 SG CYS A 5 -0.098 -5.765 -0.804 1.00 0.00 S ATOM 0 H CYS A 5 1.177 -3.819 1.444 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.653 -2.831 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.929 -5.085 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.060 -4.665 0.097 1.00 0.00 H new ATOM 71 N VAL A 6 -1.845 -1.356 0.878 1.00 0.00 N ATOM 72 CA VAL A 6 -2.579 -0.423 1.677 1.00 0.00 C ATOM 73 C VAL A 6 -4.033 -0.526 1.293 1.00 0.00 C ATOM 74 O VAL A 6 -4.366 -0.585 0.105 1.00 0.00 O ATOM 75 CB VAL A 6 -2.109 1.042 1.424 1.00 0.00 C ATOM 76 CG1 VAL A 6 -2.757 2.013 2.402 1.00 0.00 C ATOM 77 CG2 VAL A 6 -0.594 1.166 1.467 1.00 0.00 C ATOM 0 H VAL A 6 -1.835 -1.129 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.417 -0.659 2.729 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.434 1.308 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.407 3.024 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.840 1.974 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.488 1.736 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.308 2.202 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.231 0.855 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.155 0.529 0.699 1.00 0.00 H new HETATM 87 N ABA A 7 -4.879 -0.573 2.264 1.00 0.00 N HETATM 88 CA ABA A 7 -6.286 -0.610 2.032 1.00 0.00 C HETATM 89 C ABA A 7 -6.769 0.810 1.839 1.00 0.00 C HETATM 90 O ABA A 7 -6.664 1.647 2.740 1.00 0.00 O HETATM 91 CB ABA A 7 -7.014 -1.279 3.198 1.00 0.00 C HETATM 92 CG ABA A 7 -6.612 -2.726 3.420 1.00 0.00 C HETATM 0 HG3 ABA A 7 -5.544 -2.779 3.632 1.00 0.00 H new HETATM 0 HG2 ABA A 7 -6.833 -3.307 2.524 1.00 0.00 H new HETATM 0 HG1 ABA A 7 -7.170 -3.133 4.263 1.00 0.00 H new HETATM 0 HB3 ABA A 7 -8.088 -1.233 3.018 1.00 0.00 H new HETATM 0 HB2 ABA A 7 -6.819 -0.713 4.109 1.00 0.00 H new HETATM 0 HA ABA A 7 -6.499 -1.199 1.140 1.00 0.00 H new ATOM 100 N ARG A 8 -7.193 1.103 0.650 1.00 0.00 N ATOM 101 CA ARG A 8 -7.694 2.401 0.299 1.00 0.00 C ATOM 102 C ARG A 8 -9.156 2.292 0.007 1.00 0.00 C ATOM 103 O ARG A 8 -9.549 1.849 -1.086 1.00 0.00 O ATOM 104 CB ARG A 8 -6.943 2.974 -0.914 1.00 0.00 C ATOM 105 CG ARG A 8 -5.448 3.244 -0.698 1.00 0.00 C ATOM 106 CD ARG A 8 -5.184 4.364 0.320 1.00 0.00 C ATOM 107 NE ARG A 8 -5.567 4.013 1.700 1.00 0.00 N ATOM 108 CZ ARG A 8 -5.467 4.822 2.756 1.00 0.00 C ATOM 109 NH1 ARG A 8 -5.000 6.058 2.616 1.00 0.00 N ATOM 110 NH2 ARG A 8 -5.849 4.386 3.945 1.00 0.00 N ATOM 0 H ARG A 8 -7.202 0.436 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.536 3.084 1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.052 2.281 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.424 3.906 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.964 2.329 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.991 3.511 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.124 4.619 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.732 5.256 0.016 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.938 3.077 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.715 6.394 1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.927 6.671 3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.216 3.440 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.777 4.996 4.759 1.00 0.00 H new ATOM 124 N ARG A 9 -9.952 2.641 1.006 1.00 0.00 N ATOM 125 CA ARG A 9 -11.403 2.630 0.932 1.00 0.00 C ATOM 126 C ARG A 9 -11.896 1.263 0.463 1.00 0.00 C ATOM 127 O ARG A 9 -12.634 1.134 -0.508 1.00 0.00 O ATOM 128 CB ARG A 9 -11.895 3.801 0.052 1.00 0.00 C ATOM 129 CG ARG A 9 -13.403 4.023 0.010 1.00 0.00 C ATOM 130 CD ARG A 9 -13.715 5.381 -0.592 1.00 0.00 C ATOM 131 NE ARG A 9 -13.124 6.456 0.225 1.00 0.00 N ATOM 132 CZ ARG A 9 -12.768 7.669 -0.205 1.00 0.00 C ATOM 133 NH1 ARG A 9 -12.995 8.036 -1.462 1.00 0.00 N ATOM 134 NH2 ARG A 9 -12.181 8.521 0.631 1.00 0.00 N ATOM 0 H ARG A 9 -9.597 2.947 1.912 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.832 2.786 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.423 4.718 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.544 3.635 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.877 3.238 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.816 3.960 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.325 5.433 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.795 5.517 -0.657 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.972 6.254 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.445 7.389 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.719 8.965 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.004 8.247 1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.908 9.448 0.306 1.00 0.00 H new ATOM 148 N GLY A 10 -11.413 0.237 1.126 1.00 0.00 N ATOM 149 CA GLY A 10 -11.801 -1.091 0.812 1.00 0.00 C ATOM 150 C GLY A 10 -10.915 -1.769 -0.220 1.00 0.00 C ATOM 151 O GLY A 10 -10.764 -2.993 -0.193 1.00 0.00 O ATOM 0 H GLY A 10 -10.744 0.314 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.796 -1.685 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.827 -1.081 0.444 1.00 0.00 H new ATOM 155 N VAL A 11 -10.308 -1.001 -1.109 1.00 0.00 N ATOM 156 CA VAL A 11 -9.510 -1.576 -2.178 1.00 0.00 C ATOM 157 C VAL A 11 -8.088 -1.841 -1.695 1.00 0.00 C ATOM 158 O VAL A 11 -7.449 -0.967 -1.117 1.00 0.00 O ATOM 159 CB VAL A 11 -9.489 -0.657 -3.434 1.00 0.00 C ATOM 160 CG1 VAL A 11 -8.742 -1.311 -4.590 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.905 -0.301 -3.858 1.00 0.00 C ATOM 0 H VAL A 11 -10.352 0.018 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.971 -2.521 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.960 0.257 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.746 -0.642 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.713 -1.511 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.231 -2.248 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.871 0.342 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.454 -1.212 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.407 0.223 -3.045 1.00 0.00 H new HETATM 171 N ABA A 12 -7.606 -3.040 -1.918 1.00 0.00 N HETATM 172 CA ABA A 12 -6.272 -3.411 -1.498 1.00 0.00 C HETATM 173 C ABA A 12 -5.280 -2.991 -2.576 1.00 0.00 C HETATM 174 O ABA A 12 -5.224 -3.586 -3.651 1.00 0.00 O HETATM 175 CB ABA A 12 -6.193 -4.923 -1.236 1.00 0.00 C HETATM 176 CG ABA A 12 -4.849 -5.394 -0.711 1.00 0.00 C HETATM 0 HG3 ABA A 12 -4.632 -4.894 0.233 1.00 0.00 H new HETATM 0 HG2 ABA A 12 -4.071 -5.154 -1.436 1.00 0.00 H new HETATM 0 HG1 ABA A 12 -4.878 -6.472 -0.553 1.00 0.00 H new HETATM 0 HB3 ABA A 12 -6.415 -5.453 -2.162 1.00 0.00 H new HETATM 0 HB2 ABA A 12 -6.967 -5.197 -0.519 1.00 0.00 H new HETATM 0 HA ABA A 12 -6.025 -2.902 -0.566 1.00 0.00 H new ATOM 184 N ARG A 13 -4.537 -1.952 -2.302 1.00 0.00 N ATOM 185 CA ARG A 13 -3.589 -1.419 -3.254 1.00 0.00 C ATOM 186 C ARG A 13 -2.182 -1.799 -2.872 1.00 0.00 C ATOM 187 O ARG A 13 -1.660 -1.330 -1.864 1.00 0.00 O ATOM 188 CB ARG A 13 -3.700 0.110 -3.329 1.00 0.00 C ATOM 189 CG ARG A 13 -5.071 0.620 -3.739 1.00 0.00 C ATOM 190 CD ARG A 13 -5.479 0.097 -5.107 1.00 0.00 C ATOM 191 NE ARG A 13 -4.547 0.494 -6.165 1.00 0.00 N ATOM 192 CZ ARG A 13 -4.886 1.154 -7.274 1.00 0.00 C ATOM 193 NH1 ARG A 13 -6.116 1.665 -7.406 1.00 0.00 N ATOM 194 NH2 ARG A 13 -3.980 1.336 -8.232 1.00 0.00 N ATOM 0 H ARG A 13 -4.569 -1.449 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.822 -1.843 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.446 0.529 -2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.960 0.482 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.810 0.315 -2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.065 1.710 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.541 -0.991 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.476 0.465 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.565 0.247 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.799 1.551 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.370 2.169 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.034 0.972 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.231 1.839 -9.083 1.00 0.00 H new ATOM 208 N CYS A 14 -1.585 -2.650 -3.641 1.00 0.00 N ATOM 209 CA CYS A 14 -0.225 -3.042 -3.411 1.00 0.00 C ATOM 210 C CYS A 14 0.670 -2.241 -4.314 1.00 0.00 C ATOM 211 O CYS A 14 0.572 -2.318 -5.545 1.00 0.00 O ATOM 212 CB CYS A 14 -0.035 -4.537 -3.618 1.00 0.00 C ATOM 213 SG CYS A 14 -1.112 -5.586 -2.564 1.00 0.00 S ATOM 0 H CYS A 14 -2.023 -3.095 -4.447 1.00 0.00 H new ATOM 0 HA CYS A 14 0.039 -2.838 -2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.227 -4.775 -4.664 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.006 -4.790 -3.419 1.00 0.00 H new ATOM 218 N VAL A 15 1.494 -1.435 -3.710 1.00 0.00 N ATOM 219 CA VAL A 15 2.384 -0.546 -4.418 1.00 0.00 C ATOM 220 C VAL A 15 3.790 -0.744 -3.876 1.00 0.00 C ATOM 221 O VAL A 15 3.976 -0.881 -2.660 1.00 0.00 O ATOM 222 CB VAL A 15 1.981 0.950 -4.206 1.00 0.00 C ATOM 223 CG1 VAL A 15 2.828 1.878 -5.059 1.00 0.00 C ATOM 224 CG2 VAL A 15 0.501 1.185 -4.473 1.00 0.00 C ATOM 0 H VAL A 15 1.572 -1.372 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 15 2.329 -0.774 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 15 2.169 1.180 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.522 2.910 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.878 1.762 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.693 1.629 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.265 2.237 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.269 0.913 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.093 0.573 -3.794 1.00 0.00 H new HETATM 234 N ABA A 16 4.753 -0.784 -4.748 1.00 0.00 N HETATM 235 CA ABA A 16 6.120 -0.928 -4.336 1.00 0.00 C HETATM 236 C ABA A 16 6.737 0.436 -4.071 1.00 0.00 C HETATM 237 O ABA A 16 6.797 1.301 -4.950 1.00 0.00 O HETATM 238 CB ABA A 16 6.940 -1.754 -5.345 1.00 0.00 C HETATM 239 CG ABA A 16 6.968 -1.215 -6.767 1.00 0.00 C HETATM 0 HG3 ABA A 16 7.400 -0.214 -6.768 1.00 0.00 H new HETATM 0 HG2 ABA A 16 5.952 -1.172 -7.160 1.00 0.00 H new HETATM 0 HG1 ABA A 16 7.572 -1.872 -7.393 1.00 0.00 H new HETATM 0 HB3 ABA A 16 6.540 -2.768 -5.368 1.00 0.00 H new HETATM 0 HB2 ABA A 16 7.965 -1.824 -4.982 1.00 0.00 H new HETATM 0 HA ABA A 16 6.138 -1.489 -3.402 1.00 0.00 H new ATOM 247 N ARG A 17 7.125 0.648 -2.851 1.00 0.00 N ATOM 248 CA ARG A 17 7.730 1.883 -2.442 1.00 0.00 C ATOM 249 C ARG A 17 9.149 1.601 -1.998 1.00 0.00 C ATOM 250 O ARG A 17 9.373 1.037 -0.915 1.00 0.00 O ATOM 251 CB ARG A 17 6.923 2.536 -1.306 1.00 0.00 C ATOM 252 CG ARG A 17 5.454 2.803 -1.643 1.00 0.00 C ATOM 253 CD ARG A 17 5.281 3.796 -2.796 1.00 0.00 C ATOM 254 NE ARG A 17 5.696 5.168 -2.444 1.00 0.00 N ATOM 255 CZ ARG A 17 5.472 6.260 -3.209 1.00 0.00 C ATOM 256 NH1 ARG A 17 4.987 6.133 -4.445 1.00 0.00 N ATOM 257 NH2 ARG A 17 5.765 7.475 -2.745 1.00 0.00 N ATOM 0 H ARG A 17 7.031 -0.037 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 17 7.739 2.581 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.970 1.892 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.398 3.479 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.969 1.862 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.947 3.188 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.863 3.455 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.236 3.807 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 17 6.187 5.302 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.782 5.207 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.821 6.962 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.159 7.583 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.595 8.297 -3.325 1.00 0.00 H new ATOM 271 N ARG A 18 10.089 1.918 -2.876 1.00 0.00 N ATOM 272 CA ARG A 18 11.520 1.722 -2.659 1.00 0.00 C ATOM 273 C ARG A 18 11.827 0.242 -2.355 1.00 0.00 C ATOM 274 O ARG A 18 12.570 -0.105 -1.440 1.00 0.00 O ATOM 275 CB ARG A 18 12.071 2.720 -1.592 1.00 0.00 C ATOM 276 CG ARG A 18 13.582 2.655 -1.328 1.00 0.00 C ATOM 277 CD ARG A 18 14.397 2.721 -2.614 1.00 0.00 C ATOM 278 NE ARG A 18 14.156 3.943 -3.390 1.00 0.00 N ATOM 279 CZ ARG A 18 14.416 4.085 -4.698 1.00 0.00 C ATOM 280 NH1 ARG A 18 14.861 3.052 -5.415 1.00 0.00 N ATOM 281 NH2 ARG A 18 14.203 5.252 -5.283 1.00 0.00 N ATOM 0 H ARG A 18 9.875 2.330 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 18 12.057 1.956 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.820 3.733 -1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.550 2.540 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.870 3.479 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.817 1.732 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.457 2.658 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.161 1.854 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 18 13.761 4.744 -2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.006 2.146 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.056 3.168 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.843 6.037 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.399 5.367 -6.277 1.00 0.00 H new TER 295 ARG A 18