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= -0.064 (180deg=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.994 -2.715 0.274 1.00 0.00 N ATOM 2 CA GLY A 1 -11.771 -4.027 -0.295 1.00 0.00 C ATOM 3 C GLY A 1 -10.626 -4.047 -1.289 1.00 0.00 C ATOM 4 O GLY A 1 -10.142 -5.120 -1.670 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.787 -2.758 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.563 -4.736 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.682 -4.364 -0.790 1.00 0.00 H new ATOM 8 N VAL A 2 -10.197 -2.878 -1.716 1.00 0.00 N ATOM 9 CA VAL A 2 -9.117 -2.750 -2.664 1.00 0.00 C ATOM 10 C VAL A 2 -7.830 -2.519 -1.904 1.00 0.00 C ATOM 11 O VAL A 2 -7.705 -1.544 -1.175 1.00 0.00 O ATOM 12 CB VAL A 2 -9.359 -1.561 -3.641 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.217 -1.427 -4.645 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.685 -1.720 -4.370 1.00 0.00 C ATOM 0 H VAL A 2 -10.591 -1.988 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.058 -3.665 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.396 -0.649 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.416 -0.589 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.282 -1.253 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.136 -2.344 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.832 -0.878 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.677 -2.648 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.498 -1.748 -3.644 1.00 0.00 H new ATOM 24 N CYS A 3 -6.901 -3.406 -2.031 1.00 0.00 N ATOM 25 CA CYS A 3 -5.649 -3.240 -1.355 1.00 0.00 C ATOM 26 C CYS A 3 -4.569 -2.886 -2.341 1.00 0.00 C ATOM 27 O CYS A 3 -4.350 -3.599 -3.326 1.00 0.00 O ATOM 28 CB CYS A 3 -5.272 -4.478 -0.541 1.00 0.00 C ATOM 29 SG CYS A 3 -6.496 -4.939 0.741 1.00 0.00 S ATOM 0 H CYS A 3 -6.980 -4.253 -2.594 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.757 -2.418 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.141 -5.320 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.309 -4.303 -0.061 1.00 0.00 H new ATOM 34 N ARG A 4 -3.943 -1.769 -2.112 1.00 0.00 N ATOM 35 CA ARG A 4 -2.844 -1.327 -2.941 1.00 0.00 C ATOM 36 C ARG A 4 -1.556 -1.497 -2.167 1.00 0.00 C ATOM 37 O ARG A 4 -1.527 -1.250 -0.964 1.00 0.00 O ATOM 38 CB ARG A 4 -3.003 0.150 -3.378 1.00 0.00 C ATOM 39 CG ARG A 4 -3.082 1.158 -2.226 1.00 0.00 C ATOM 40 CD ARG A 4 -2.945 2.595 -2.716 1.00 0.00 C ATOM 41 NE ARG A 4 -4.007 2.997 -3.645 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.877 3.937 -4.592 1.00 0.00 C ATOM 43 NH1 ARG A 4 -2.705 4.553 -4.782 1.00 0.00 N ATOM 44 NH2 ARG A 4 -4.921 4.263 -5.346 1.00 0.00 N ATOM 0 H ARG A 4 -4.174 -1.134 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.831 -1.932 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.162 0.417 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.905 0.240 -3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.033 1.041 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.295 0.945 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.950 3.266 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.979 2.713 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.909 2.528 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.901 4.309 -4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.615 5.267 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.818 3.799 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.826 4.978 -6.067 1.00 0.00 H new ATOM 58 N CYS A 5 -0.526 -1.950 -2.802 1.00 0.00 N ATOM 59 CA CYS A 5 0.733 -2.080 -2.128 1.00 0.00 C ATOM 60 C CYS A 5 1.784 -1.257 -2.796 1.00 0.00 C ATOM 61 O CYS A 5 2.014 -1.353 -4.012 1.00 0.00 O ATOM 62 CB CYS A 5 1.195 -3.514 -2.019 1.00 0.00 C ATOM 63 SG CYS A 5 0.040 -4.623 -1.138 1.00 0.00 S ATOM 0 H CYS A 5 -0.526 -2.236 -3.781 1.00 0.00 H new ATOM 0 HA CYS A 5 0.575 -1.712 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.359 -3.906 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.157 -3.534 -1.508 1.00 0.00 H new ATOM 68 N VAL A 6 2.397 -0.452 -2.016 1.00 0.00 N ATOM 69 CA VAL A 6 3.459 0.408 -2.452 1.00 0.00 C ATOM 70 C VAL A 6 4.749 -0.206 -1.978 1.00 0.00 C ATOM 71 O VAL A 6 4.964 -0.350 -0.774 1.00 0.00 O ATOM 72 CB VAL A 6 3.316 1.841 -1.856 1.00 0.00 C ATOM 73 CG1 VAL A 6 4.447 2.750 -2.329 1.00 0.00 C ATOM 74 CG2 VAL A 6 1.962 2.448 -2.211 1.00 0.00 C ATOM 0 H VAL A 6 2.177 -0.360 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 6 3.432 0.503 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 6 3.380 1.754 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.321 3.743 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.404 2.335 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.425 2.822 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.888 3.448 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.864 2.509 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.166 1.821 -1.809 1.00 0.00 H new ATOM 84 N CYS A 7 5.580 -0.595 -2.882 1.00 0.00 N ATOM 85 CA CYS A 7 6.805 -1.221 -2.503 1.00 0.00 C ATOM 86 C CYS A 7 7.957 -0.283 -2.655 1.00 0.00 C ATOM 87 O CYS A 7 8.134 0.362 -3.700 1.00 0.00 O ATOM 88 CB CYS A 7 7.040 -2.522 -3.253 1.00 0.00 C ATOM 89 SG CYS A 7 5.718 -3.773 -3.012 1.00 0.00 S ATOM 0 H CYS A 7 5.437 -0.493 -3.887 1.00 0.00 H new ATOM 0 HA CYS A 7 6.722 -1.480 -1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.130 -2.305 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.991 -2.947 -2.933 1.00 0.00 H new ATOM 94 N ARG A 8 8.705 -0.172 -1.611 1.00 0.00 N ATOM 95 CA ARG A 8 9.854 0.683 -1.572 1.00 0.00 C ATOM 96 C ARG A 8 10.921 0.037 -0.727 1.00 0.00 C ATOM 97 O ARG A 8 10.642 -0.401 0.387 1.00 0.00 O ATOM 98 CB ARG A 8 9.500 2.077 -1.006 1.00 0.00 C ATOM 99 CG ARG A 8 8.932 2.065 0.412 1.00 0.00 C ATOM 100 CD ARG A 8 8.714 3.467 0.963 1.00 0.00 C ATOM 101 NE ARG A 8 7.831 4.288 0.120 1.00 0.00 N ATOM 102 CZ ARG A 8 6.971 5.214 0.577 1.00 0.00 C ATOM 103 NH1 ARG A 8 6.746 5.345 1.879 1.00 0.00 N ATOM 104 NH2 ARG A 8 6.320 5.988 -0.279 1.00 0.00 N ATOM 0 H ARG A 8 8.537 -0.680 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 8 10.219 0.823 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.396 2.697 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.776 2.550 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.985 1.525 0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.612 1.522 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.287 3.395 1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.678 3.966 1.062 1.00 0.00 H new ATOM 0 HE ARG A 8 7.875 4.143 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.228 4.739 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.091 6.051 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.472 5.880 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.667 6.692 0.065 1.00 0.00 H new ATOM 118 N ARG A 9 12.104 -0.112 -1.287 1.00 0.00 N ATOM 119 CA ARG A 9 13.270 -0.627 -0.565 1.00 0.00 C ATOM 120 C ARG A 9 13.018 -2.092 -0.099 1.00 0.00 C ATOM 121 O ARG A 9 13.564 -2.567 0.887 1.00 0.00 O ATOM 122 CB ARG A 9 13.591 0.344 0.616 1.00 0.00 C ATOM 123 CG ARG A 9 14.799 -0.004 1.476 1.00 0.00 C ATOM 124 CD ARG A 9 16.074 -0.061 0.667 1.00 0.00 C ATOM 125 NE ARG A 9 17.230 -0.346 1.516 1.00 0.00 N ATOM 126 CZ ARG A 9 18.477 0.062 1.275 1.00 0.00 C ATOM 127 NH1 ARG A 9 18.764 0.712 0.151 1.00 0.00 N ATOM 128 NH2 ARG A 9 19.431 -0.189 2.153 1.00 0.00 N ATOM 0 H ARG A 9 12.294 0.120 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 9 14.143 -0.665 -1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.742 1.342 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.715 0.395 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.905 0.737 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.634 -0.966 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.986 -0.830 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.223 0.888 0.152 1.00 0.00 H new ATOM 0 HE ARG A 9 17.071 -0.900 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.029 0.900 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.719 1.022 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.213 -0.693 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.386 0.122 1.972 1.00 0.00 H new ATOM 142 N GLY A 10 12.194 -2.797 -0.850 1.00 0.00 N ATOM 143 CA GLY A 10 11.858 -4.174 -0.516 1.00 0.00 C ATOM 144 C GLY A 10 10.727 -4.278 0.502 1.00 0.00 C ATOM 145 O GLY A 10 10.232 -5.371 0.785 1.00 0.00 O ATOM 0 H GLY A 10 11.744 -2.443 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.572 -4.704 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.743 -4.673 -0.121 1.00 0.00 H new ATOM 149 N VAL A 11 10.323 -3.153 1.042 1.00 0.00 N ATOM 150 CA VAL A 11 9.258 -3.094 2.016 1.00 0.00 C ATOM 151 C VAL A 11 7.973 -2.710 1.297 1.00 0.00 C ATOM 152 O VAL A 11 7.935 -1.701 0.582 1.00 0.00 O ATOM 153 CB VAL A 11 9.567 -2.034 3.118 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.465 -1.984 4.166 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.913 -2.306 3.775 1.00 0.00 C ATOM 0 H VAL A 11 10.728 -2.244 0.816 1.00 0.00 H new ATOM 0 HA VAL A 11 9.159 -4.067 2.497 1.00 0.00 H new ATOM 0 HB VAL A 11 9.612 -1.060 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.712 -1.235 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.521 -1.721 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.371 -2.960 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.104 -1.553 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.900 -3.294 4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.700 -2.266 3.022 1.00 0.00 H new ATOM 165 N CYS A 12 6.953 -3.498 1.431 1.00 0.00 N ATOM 166 CA CYS A 12 5.717 -3.174 0.784 1.00 0.00 C ATOM 167 C CYS A 12 4.681 -2.716 1.784 1.00 0.00 C ATOM 168 O CYS A 12 4.292 -3.444 2.695 1.00 0.00 O ATOM 169 CB CYS A 12 5.199 -4.349 -0.046 1.00 0.00 C ATOM 170 SG CYS A 12 6.321 -4.860 -1.397 1.00 0.00 S ATOM 0 H CYS A 12 6.948 -4.361 1.975 1.00 0.00 H new ATOM 0 HA CYS A 12 5.910 -2.347 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.031 -5.200 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.232 -4.081 -0.473 1.00 0.00 H new ATOM 175 N ARG A 13 4.224 -1.519 1.594 1.00 0.00 N ATOM 176 CA ARG A 13 3.239 -0.933 2.445 1.00 0.00 C ATOM 177 C ARG A 13 1.912 -1.077 1.758 1.00 0.00 C ATOM 178 O ARG A 13 1.686 -0.490 0.693 1.00 0.00 O ATOM 179 CB ARG A 13 3.560 0.549 2.693 1.00 0.00 C ATOM 180 CG ARG A 13 4.985 0.797 3.187 1.00 0.00 C ATOM 181 CD ARG A 13 5.284 0.054 4.485 1.00 0.00 C ATOM 182 NE ARG A 13 4.503 0.559 5.617 1.00 0.00 N ATOM 183 CZ ARG A 13 4.429 -0.019 6.817 1.00 0.00 C ATOM 184 NH1 ARG A 13 5.037 -1.177 7.048 1.00 0.00 N ATOM 185 NH2 ARG A 13 3.737 0.568 7.782 1.00 0.00 N ATOM 0 H ARG A 13 4.529 -0.913 0.832 1.00 0.00 H new ATOM 0 HA ARG A 13 3.223 -1.431 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.404 1.105 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.857 0.946 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.693 0.483 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.133 1.866 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.074 -1.007 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.346 0.142 4.713 1.00 0.00 H new ATOM 0 HE ARG A 13 3.974 1.420 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.566 -1.632 6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.975 -1.611 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.266 1.455 7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.675 0.133 8.702 1.00 0.00 H new ATOM 199 N CYS A 14 1.084 -1.898 2.299 1.00 0.00 N ATOM 200 CA CYS A 14 -0.196 -2.133 1.722 1.00 0.00 C ATOM 201 C CYS A 14 -1.259 -1.361 2.448 1.00 0.00 C ATOM 202 O CYS A 14 -1.308 -1.321 3.689 1.00 0.00 O ATOM 203 CB CYS A 14 -0.519 -3.608 1.682 1.00 0.00 C ATOM 204 SG CYS A 14 0.719 -4.609 0.779 1.00 0.00 S ATOM 0 H CYS A 14 1.271 -2.426 3.152 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.169 -1.778 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.600 -3.981 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.494 -3.745 1.215 1.00 0.00 H new ATOM 209 N VAL A 15 -2.075 -0.735 1.682 1.00 0.00 N ATOM 210 CA VAL A 15 -3.139 0.087 2.160 1.00 0.00 C ATOM 211 C VAL A 15 -4.430 -0.463 1.602 1.00 0.00 C ATOM 212 O VAL A 15 -4.596 -0.548 0.378 1.00 0.00 O ATOM 213 CB VAL A 15 -2.959 1.561 1.685 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.079 2.442 2.204 1.00 0.00 C ATOM 215 CG2 VAL A 15 -1.604 2.119 2.117 1.00 0.00 C ATOM 0 H VAL A 15 -2.023 -0.779 0.664 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.146 0.081 3.250 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.998 1.560 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.928 3.464 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.035 2.071 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.080 2.425 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.507 3.148 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.530 2.093 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.807 1.515 1.684 1.00 0.00 H new ATOM 225 N CYS A 16 -5.296 -0.895 2.458 1.00 0.00 N ATOM 226 CA CYS A 16 -6.561 -1.393 2.024 1.00 0.00 C ATOM 227 C CYS A 16 -7.623 -0.326 2.150 1.00 0.00 C ATOM 228 O CYS A 16 -7.697 0.404 3.163 1.00 0.00 O ATOM 229 CB CYS A 16 -6.949 -2.677 2.748 1.00 0.00 C ATOM 230 SG CYS A 16 -5.802 -4.079 2.451 1.00 0.00 S ATOM 0 H CYS A 16 -5.151 -0.914 3.467 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.474 -1.653 0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.994 -2.479 3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.952 -2.969 2.436 1.00 0.00 H new ATOM 235 N ARG A 17 -8.385 -0.191 1.113 1.00 0.00 N ATOM 236 CA ARG A 17 -9.420 0.785 1.027 1.00 0.00 C ATOM 237 C ARG A 17 -10.600 0.208 0.261 1.00 0.00 C ATOM 238 O ARG A 17 -10.494 -0.082 -0.931 1.00 0.00 O ATOM 239 CB ARG A 17 -8.877 2.043 0.326 1.00 0.00 C ATOM 240 CG ARG A 17 -9.900 3.135 0.060 1.00 0.00 C ATOM 241 CD ARG A 17 -10.498 3.711 1.335 1.00 0.00 C ATOM 242 NE ARG A 17 -11.490 4.737 1.018 1.00 0.00 N ATOM 243 CZ ARG A 17 -12.032 5.611 1.877 1.00 0.00 C ATOM 244 NH1 ARG A 17 -11.701 5.594 3.164 1.00 0.00 N ATOM 245 NH2 ARG A 17 -12.908 6.498 1.436 1.00 0.00 N ATOM 0 H ARG A 17 -8.301 -0.773 0.280 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.757 1.060 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.076 2.460 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.433 1.746 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.428 3.937 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.700 2.732 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.963 2.915 1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.709 4.139 1.953 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.800 4.793 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.027 4.910 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.121 6.265 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.166 6.513 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.326 7.167 2.083 1.00 0.00 H new ATOM 259 N ARG A 18 -11.683 -0.022 0.981 1.00 0.00 N ATOM 260 CA ARG A 18 -12.955 -0.492 0.427 1.00 0.00 C ATOM 261 C ARG A 18 -12.778 -1.839 -0.319 1.00 0.00 C ATOM 262 O ARG A 18 -13.301 -2.055 -1.425 1.00 0.00 O ATOM 263 CB ARG A 18 -13.575 0.600 -0.477 1.00 0.00 C ATOM 264 CG ARG A 18 -15.005 0.330 -0.892 1.00 0.00 C ATOM 265 CD ARG A 18 -15.533 1.392 -1.819 1.00 0.00 C ATOM 266 NE ARG A 18 -16.897 1.083 -2.238 1.00 0.00 N ATOM 267 CZ ARG A 18 -17.489 1.552 -3.330 1.00 0.00 C ATOM 268 NH1 ARG A 18 -16.848 2.407 -4.133 1.00 0.00 N ATOM 269 NH2 ARG A 18 -18.728 1.171 -3.624 1.00 0.00 N ATOM 0 H ARG A 18 -11.711 0.114 1.992 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.649 -0.680 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.536 1.554 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.963 0.704 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.063 -0.641 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.636 0.277 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.512 2.360 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.888 1.471 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.439 0.456 -1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.898 2.703 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.309 2.763 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.220 0.521 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.186 1.529 -4.462 1.00 0.00 H new TER 283 ARG A 18