USER MOD reduce.3.24.130724 H: found=0, std=0, add=144, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 144 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 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 Single : A 1 GLY N :NH3+ 180:sc= -0.213 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.374 -1.536 0.350 1.00 0.00 N ATOM 2 CA GLY A 1 -12.346 -2.919 -0.041 1.00 0.00 C ATOM 3 C GLY A 1 -11.171 -3.239 -0.937 1.00 0.00 C ATOM 4 O GLY A 1 -10.748 -4.389 -1.031 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.197 -1.365 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.302 -3.545 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.273 -3.167 -0.559 1.00 0.00 H new ATOM 8 N VAL A 2 -10.612 -2.225 -1.549 1.00 0.00 N ATOM 9 CA VAL A 2 -9.514 -2.385 -2.482 1.00 0.00 C ATOM 10 C VAL A 2 -8.190 -2.315 -1.741 1.00 0.00 C ATOM 11 O VAL A 2 -7.927 -1.362 -1.013 1.00 0.00 O ATOM 12 CB VAL A 2 -9.546 -1.277 -3.577 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.373 -1.411 -4.545 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.866 -1.310 -4.332 1.00 0.00 C ATOM 0 H VAL A 2 -10.905 -1.257 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.619 -3.358 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.453 -0.314 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.428 -0.622 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.436 -1.325 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.417 -2.383 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.870 -0.529 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.988 -2.282 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.688 -1.142 -3.636 1.00 0.00 H new ATOM 24 N CYS A 3 -7.372 -3.307 -1.909 1.00 0.00 N ATOM 25 CA CYS A 3 -6.085 -3.308 -1.281 1.00 0.00 C ATOM 26 C CYS A 3 -4.998 -3.109 -2.313 1.00 0.00 C ATOM 27 O CYS A 3 -4.957 -3.800 -3.330 1.00 0.00 O ATOM 28 CB CYS A 3 -5.837 -4.591 -0.494 1.00 0.00 C ATOM 29 SG CYS A 3 -6.947 -4.833 0.931 1.00 0.00 S ATOM 0 H CYS A 3 -7.572 -4.130 -2.478 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.065 -2.479 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.942 -5.441 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.806 -4.591 -0.139 1.00 0.00 H new ATOM 34 N ARG A 4 -4.139 -2.165 -2.062 1.00 0.00 N ATOM 35 CA ARG A 4 -3.051 -1.855 -2.953 1.00 0.00 C ATOM 36 C ARG A 4 -1.751 -1.807 -2.165 1.00 0.00 C ATOM 37 O ARG A 4 -1.727 -1.320 -1.027 1.00 0.00 O ATOM 38 CB ARG A 4 -3.343 -0.548 -3.715 1.00 0.00 C ATOM 39 CG ARG A 4 -3.726 0.644 -2.842 1.00 0.00 C ATOM 40 CD ARG A 4 -4.134 1.842 -3.693 1.00 0.00 C ATOM 41 NE ARG A 4 -3.032 2.319 -4.533 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.158 3.012 -5.675 1.00 0.00 C ATOM 43 NH1 ARG A 4 -4.355 3.282 -6.176 1.00 0.00 N ATOM 44 NH2 ARG A 4 -2.077 3.420 -6.310 1.00 0.00 N ATOM 0 H ARG A 4 -4.171 -1.581 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.945 -2.635 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.461 -0.282 -4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.150 -0.733 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.548 0.366 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.885 0.917 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.979 1.567 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.471 2.650 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.085 2.105 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.194 2.962 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.437 3.810 -7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.153 3.208 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.164 3.947 -7.179 1.00 0.00 H new ATOM 58 N CYS A 5 -0.695 -2.354 -2.715 1.00 0.00 N ATOM 59 CA CYS A 5 0.554 -2.432 -1.990 1.00 0.00 C ATOM 60 C CYS A 5 1.613 -1.523 -2.588 1.00 0.00 C ATOM 61 O CYS A 5 1.739 -1.398 -3.816 1.00 0.00 O ATOM 62 CB CYS A 5 1.051 -3.880 -1.896 1.00 0.00 C ATOM 63 SG CYS A 5 -0.194 -5.074 -1.248 1.00 0.00 S ATOM 0 H CYS A 5 -0.672 -2.750 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 5 0.362 -2.078 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.368 -4.207 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.931 -3.908 -1.254 1.00 0.00 H new ATOM 68 N VAL A 6 2.350 -0.883 -1.720 1.00 0.00 N ATOM 69 CA VAL A 6 3.406 0.033 -2.087 1.00 0.00 C ATOM 70 C VAL A 6 4.715 -0.545 -1.596 1.00 0.00 C ATOM 71 O VAL A 6 4.828 -0.910 -0.422 1.00 0.00 O ATOM 72 CB VAL A 6 3.217 1.425 -1.414 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.261 2.426 -1.900 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.818 1.963 -1.636 1.00 0.00 C ATOM 0 H VAL A 6 2.233 -0.984 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 6 3.392 0.164 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 6 3.358 1.285 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.100 3.386 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.258 2.058 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.172 2.550 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.721 2.935 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.634 2.069 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.091 1.272 -1.210 1.00 0.00 H new ATOM 84 N CYS A 7 5.676 -0.665 -2.458 1.00 0.00 N ATOM 85 CA CYS A 7 6.956 -1.141 -2.033 1.00 0.00 C ATOM 86 C CYS A 7 7.897 0.010 -1.825 1.00 0.00 C ATOM 87 O CYS A 7 8.043 0.888 -2.684 1.00 0.00 O ATOM 88 CB CYS A 7 7.521 -2.199 -2.961 1.00 0.00 C ATOM 89 SG CYS A 7 6.445 -3.678 -3.128 1.00 0.00 S ATOM 0 H CYS A 7 5.601 -0.443 -3.451 1.00 0.00 H new ATOM 0 HA CYS A 7 6.826 -1.641 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.678 -1.760 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.498 -2.510 -2.592 1.00 0.00 H new ATOM 94 N ARG A 8 8.484 0.035 -0.680 1.00 0.00 N ATOM 95 CA ARG A 8 9.336 1.093 -0.282 1.00 0.00 C ATOM 96 C ARG A 8 10.606 0.543 0.309 1.00 0.00 C ATOM 97 O ARG A 8 10.588 -0.065 1.393 1.00 0.00 O ATOM 98 CB ARG A 8 8.609 1.990 0.721 1.00 0.00 C ATOM 99 CG ARG A 8 9.435 3.152 1.246 1.00 0.00 C ATOM 100 CD ARG A 8 8.582 4.093 2.071 1.00 0.00 C ATOM 101 NE ARG A 8 7.518 4.707 1.258 1.00 0.00 N ATOM 102 CZ ARG A 8 6.444 5.347 1.736 1.00 0.00 C ATOM 103 NH1 ARG A 8 6.258 5.459 3.046 1.00 0.00 N ATOM 104 NH2 ARG A 8 5.559 5.869 0.896 1.00 0.00 N ATOM 0 H ARG A 8 8.381 -0.699 0.021 1.00 0.00 H new ATOM 0 HA ARG A 8 9.601 1.691 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.709 2.385 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.285 1.381 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.257 2.774 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.879 3.694 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.137 3.548 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.210 4.874 2.501 1.00 0.00 H new ATOM 0 HE ARG A 8 7.607 4.639 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.935 5.056 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.438 5.948 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.698 5.782 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.740 6.357 1.257 1.00 0.00 H new ATOM 118 N ARG A 9 11.678 0.680 -0.455 1.00 0.00 N ATOM 119 CA ARG A 9 13.029 0.332 -0.039 1.00 0.00 C ATOM 120 C ARG A 9 13.118 -1.153 0.374 1.00 0.00 C ATOM 121 O ARG A 9 13.733 -1.511 1.381 1.00 0.00 O ATOM 122 CB ARG A 9 13.468 1.283 1.095 1.00 0.00 C ATOM 123 CG ARG A 9 14.960 1.322 1.387 1.00 0.00 C ATOM 124 CD ARG A 9 15.758 1.737 0.159 1.00 0.00 C ATOM 125 NE ARG A 9 15.283 3.008 -0.421 1.00 0.00 N ATOM 126 CZ ARG A 9 15.580 3.444 -1.649 1.00 0.00 C ATOM 127 NH1 ARG A 9 16.353 2.724 -2.438 1.00 0.00 N ATOM 128 NH2 ARG A 9 15.089 4.594 -2.083 1.00 0.00 N ATOM 0 H ARG A 9 11.632 1.046 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 9 13.715 0.457 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.140 2.292 0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.946 0.995 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.154 2.020 2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.292 0.340 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.809 1.835 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.694 0.952 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 9 14.684 3.597 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.726 1.832 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.578 3.059 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.482 5.150 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.317 4.925 -3.021 1.00 0.00 H new ATOM 142 N GLY A 10 12.473 -1.997 -0.406 1.00 0.00 N ATOM 143 CA GLY A 10 12.499 -3.422 -0.159 1.00 0.00 C ATOM 144 C GLY A 10 11.346 -3.911 0.702 1.00 0.00 C ATOM 145 O GLY A 10 11.052 -5.111 0.725 1.00 0.00 O ATOM 0 H GLY A 10 11.923 -1.718 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.478 -3.948 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.440 -3.681 0.327 1.00 0.00 H new ATOM 149 N VAL A 11 10.673 -3.016 1.385 1.00 0.00 N ATOM 150 CA VAL A 11 9.564 -3.410 2.238 1.00 0.00 C ATOM 151 C VAL A 11 8.253 -3.067 1.551 1.00 0.00 C ATOM 152 O VAL A 11 8.016 -1.917 1.197 1.00 0.00 O ATOM 153 CB VAL A 11 9.624 -2.709 3.624 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.490 -3.182 4.531 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.975 -2.943 4.296 1.00 0.00 C ATOM 0 H VAL A 11 10.868 -2.015 1.371 1.00 0.00 H new ATOM 0 HA VAL A 11 9.634 -4.485 2.405 1.00 0.00 H new ATOM 0 HB VAL A 11 9.503 -1.639 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.558 -2.674 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.532 -2.951 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.570 -4.259 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.991 -2.442 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.130 -4.012 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.769 -2.541 3.666 1.00 0.00 H new ATOM 165 N CYS A 12 7.429 -4.050 1.330 1.00 0.00 N ATOM 166 CA CYS A 12 6.153 -3.820 0.702 1.00 0.00 C ATOM 167 C CYS A 12 5.058 -3.725 1.747 1.00 0.00 C ATOM 168 O CYS A 12 4.867 -4.630 2.553 1.00 0.00 O ATOM 169 CB CYS A 12 5.858 -4.886 -0.354 1.00 0.00 C ATOM 170 SG CYS A 12 7.115 -4.970 -1.698 1.00 0.00 S ATOM 0 H CYS A 12 7.615 -5.023 1.575 1.00 0.00 H new ATOM 0 HA CYS A 12 6.188 -2.864 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.795 -5.859 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.881 -4.687 -0.795 1.00 0.00 H new ATOM 175 N ARG A 13 4.374 -2.612 1.752 1.00 0.00 N ATOM 176 CA ARG A 13 3.330 -2.352 2.709 1.00 0.00 C ATOM 177 C ARG A 13 2.009 -2.296 1.963 1.00 0.00 C ATOM 178 O ARG A 13 1.937 -1.715 0.876 1.00 0.00 O ATOM 179 CB ARG A 13 3.599 -1.010 3.415 1.00 0.00 C ATOM 180 CG ARG A 13 2.683 -0.706 4.597 1.00 0.00 C ATOM 181 CD ARG A 13 2.874 -1.725 5.711 1.00 0.00 C ATOM 182 NE ARG A 13 4.263 -1.749 6.198 1.00 0.00 N ATOM 183 CZ ARG A 13 4.864 -2.788 6.793 1.00 0.00 C ATOM 184 NH1 ARG A 13 4.252 -3.965 6.873 1.00 0.00 N ATOM 185 NH2 ARG A 13 6.094 -2.648 7.279 1.00 0.00 N ATOM 0 H ARG A 13 4.526 -1.854 1.087 1.00 0.00 H new ATOM 0 HA ARG A 13 3.298 -3.139 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.632 -1.001 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.502 -0.207 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.891 0.295 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.644 -0.712 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.203 -1.490 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.599 -2.715 5.349 1.00 0.00 H new ATOM 0 HE ARG A 13 4.816 -0.901 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.318 -4.082 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.716 -4.751 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.576 -1.752 7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.556 -3.436 7.733 1.00 0.00 H new ATOM 199 N CYS A 14 0.987 -2.896 2.501 1.00 0.00 N ATOM 200 CA CYS A 14 -0.288 -2.880 1.832 1.00 0.00 C ATOM 201 C CYS A 14 -1.284 -2.001 2.541 1.00 0.00 C ATOM 202 O CYS A 14 -1.427 -2.044 3.771 1.00 0.00 O ATOM 203 CB CYS A 14 -0.828 -4.276 1.627 1.00 0.00 C ATOM 204 SG CYS A 14 0.313 -5.364 0.704 1.00 0.00 S ATOM 0 H CYS A 14 1.006 -3.397 3.389 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.123 -2.447 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.039 -4.723 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.775 -4.217 1.091 1.00 0.00 H new ATOM 209 N VAL A 15 -1.961 -1.211 1.762 1.00 0.00 N ATOM 210 CA VAL A 15 -2.937 -0.265 2.236 1.00 0.00 C ATOM 211 C VAL A 15 -4.274 -0.605 1.605 1.00 0.00 C ATOM 212 O VAL A 15 -4.357 -0.813 0.389 1.00 0.00 O ATOM 213 CB VAL A 15 -2.537 1.200 1.852 1.00 0.00 C ATOM 214 CG1 VAL A 15 -3.575 2.205 2.336 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.157 1.554 2.398 1.00 0.00 C ATOM 0 H VAL A 15 -1.849 -1.204 0.748 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.994 -0.324 3.323 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.499 1.252 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.267 3.211 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.539 1.980 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.663 2.144 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.906 2.576 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.163 1.468 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.416 0.871 1.984 1.00 0.00 H new ATOM 225 N CYS A 16 -5.299 -0.684 2.402 1.00 0.00 N ATOM 226 CA CYS A 16 -6.604 -1.019 1.893 1.00 0.00 C ATOM 227 C CYS A 16 -7.568 0.131 2.072 1.00 0.00 C ATOM 228 O CYS A 16 -7.584 0.789 3.124 1.00 0.00 O ATOM 229 CB CYS A 16 -7.145 -2.279 2.563 1.00 0.00 C ATOM 230 SG CYS A 16 -6.073 -3.747 2.400 1.00 0.00 S ATOM 0 H CYS A 16 -5.260 -0.522 3.408 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.503 -1.216 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.299 -2.074 3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.122 -2.510 2.138 1.00 0.00 H new ATOM 235 N ARG A 17 -8.333 0.396 1.045 1.00 0.00 N ATOM 236 CA ARG A 17 -9.360 1.433 1.079 1.00 0.00 C ATOM 237 C ARG A 17 -10.588 0.977 0.298 1.00 0.00 C ATOM 238 O ARG A 17 -10.455 0.481 -0.824 1.00 0.00 O ATOM 239 CB ARG A 17 -8.861 2.778 0.496 1.00 0.00 C ATOM 240 CG ARG A 17 -8.456 2.726 -0.978 1.00 0.00 C ATOM 241 CD ARG A 17 -8.296 4.116 -1.586 1.00 0.00 C ATOM 242 NE ARG A 17 -7.276 4.949 -0.922 1.00 0.00 N ATOM 243 CZ ARG A 17 -6.947 6.194 -1.325 1.00 0.00 C ATOM 244 NH1 ARG A 17 -7.511 6.718 -2.406 1.00 0.00 N ATOM 245 NH2 ARG A 17 -6.049 6.904 -0.647 1.00 0.00 N ATOM 0 H ARG A 17 -8.270 -0.096 0.154 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.613 1.595 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.646 3.524 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.007 3.117 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.518 2.180 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.208 2.171 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.036 4.012 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.255 4.632 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.792 4.562 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.196 6.179 -2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.259 7.660 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.606 6.508 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.804 7.845 -0.956 1.00 0.00 H new ATOM 259 N ARG A 18 -11.768 1.080 0.917 1.00 0.00 N ATOM 260 CA ARG A 18 -13.061 0.795 0.253 1.00 0.00 C ATOM 261 C ARG A 18 -13.126 -0.668 -0.283 1.00 0.00 C ATOM 262 O ARG A 18 -13.844 -0.991 -1.234 1.00 0.00 O ATOM 263 CB ARG A 18 -13.310 1.873 -0.854 1.00 0.00 C ATOM 264 CG ARG A 18 -14.627 1.771 -1.648 1.00 0.00 C ATOM 265 CD ARG A 18 -15.872 1.896 -0.775 1.00 0.00 C ATOM 266 NE ARG A 18 -17.095 1.748 -1.590 1.00 0.00 N ATOM 267 CZ ARG A 18 -18.348 1.622 -1.123 1.00 0.00 C ATOM 268 NH1 ARG A 18 -18.600 1.716 0.178 1.00 0.00 N ATOM 269 NH2 ARG A 18 -19.351 1.436 -1.984 1.00 0.00 N ATOM 0 H ARG A 18 -11.863 1.363 1.892 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.871 0.864 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.273 2.856 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.483 1.828 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.646 2.552 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.654 0.815 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.854 1.135 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.877 2.865 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.977 1.741 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.838 1.886 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.556 1.619 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.162 1.391 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.307 1.339 -1.641 1.00 0.00 H new TER 283 ARG A 18