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= -0.0345 (180deg=-0.0345) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.294 -3.587 -0.664 1.00 0.00 N ATOM 2 CA GLY A 1 -11.933 -4.497 -1.722 1.00 0.00 C ATOM 3 C GLY A 1 -10.750 -4.038 -2.524 1.00 0.00 C ATOM 4 O GLY A 1 -10.095 -4.853 -3.198 1.00 0.00 O ATOM 0 H2 GLY A 1 -13.117 -3.962 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.714 -5.474 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.786 -4.626 -2.388 1.00 0.00 H new ATOM 8 N VAL A 2 -10.449 -2.762 -2.462 1.00 0.00 N ATOM 9 CA VAL A 2 -9.360 -2.224 -3.221 1.00 0.00 C ATOM 10 C VAL A 2 -8.134 -2.100 -2.351 1.00 0.00 C ATOM 11 O VAL A 2 -8.073 -1.256 -1.440 1.00 0.00 O ATOM 12 CB VAL A 2 -9.701 -0.851 -3.852 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.527 -0.330 -4.670 1.00 0.00 C ATOM 14 CG2 VAL A 2 -10.935 -0.965 -4.725 1.00 0.00 C ATOM 0 H VAL A 2 -10.948 -2.081 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.164 -2.917 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.903 -0.144 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.786 0.635 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.656 -0.215 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.297 -1.037 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.163 0.007 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.752 -1.687 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.779 -1.298 -4.121 1.00 0.00 H new ATOM 24 N CYS A 3 -7.191 -2.954 -2.592 1.00 0.00 N ATOM 25 CA CYS A 3 -5.953 -2.923 -1.892 1.00 0.00 C ATOM 26 C CYS A 3 -4.900 -2.344 -2.776 1.00 0.00 C ATOM 27 O CYS A 3 -4.710 -2.802 -3.898 1.00 0.00 O ATOM 28 CB CYS A 3 -5.524 -4.320 -1.442 1.00 0.00 C ATOM 29 SG CYS A 3 -6.596 -5.095 -0.196 1.00 0.00 S ATOM 0 H CYS A 3 -7.262 -3.698 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.084 -2.307 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.482 -4.969 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.512 -4.260 -1.041 1.00 0.00 H new ATOM 34 N ARG A 4 -4.253 -1.325 -2.314 1.00 0.00 N ATOM 35 CA ARG A 4 -3.143 -0.773 -3.054 1.00 0.00 C ATOM 36 C ARG A 4 -1.872 -1.030 -2.291 1.00 0.00 C ATOM 37 O ARG A 4 -1.741 -0.611 -1.134 1.00 0.00 O ATOM 38 CB ARG A 4 -3.307 0.724 -3.351 1.00 0.00 C ATOM 39 CG ARG A 4 -4.529 1.071 -4.193 1.00 0.00 C ATOM 40 CD ARG A 4 -4.478 2.515 -4.677 1.00 0.00 C ATOM 41 NE ARG A 4 -4.343 3.476 -3.575 1.00 0.00 N ATOM 42 CZ ARG A 4 -3.910 4.741 -3.705 1.00 0.00 C ATOM 43 NH1 ARG A 4 -3.634 5.231 -4.908 1.00 0.00 N ATOM 44 NH2 ARG A 4 -3.777 5.514 -2.628 1.00 0.00 N ATOM 0 H ARG A 4 -4.464 -0.853 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.107 -1.269 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.367 1.264 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.414 1.079 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.585 0.400 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.434 0.914 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.640 2.635 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.385 2.738 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.597 3.159 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.751 4.647 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.305 6.192 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.004 5.145 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.448 6.474 -2.727 1.00 0.00 H new ATOM 58 N CYS A 5 -0.980 -1.760 -2.894 1.00 0.00 N ATOM 59 CA CYS A 5 0.275 -2.092 -2.271 1.00 0.00 C ATOM 60 C CYS A 5 1.404 -1.352 -2.931 1.00 0.00 C ATOM 61 O CYS A 5 1.417 -1.164 -4.154 1.00 0.00 O ATOM 62 CB CYS A 5 0.535 -3.589 -2.338 1.00 0.00 C ATOM 63 SG CYS A 5 -0.755 -4.613 -1.551 1.00 0.00 S ATOM 0 H CYS A 5 -1.099 -2.144 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 5 0.217 -1.793 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.628 -3.883 -3.383 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.492 -3.801 -1.861 1.00 0.00 H new ATOM 68 N VAL A 6 2.324 -0.921 -2.137 1.00 0.00 N ATOM 69 CA VAL A 6 3.480 -0.222 -2.604 1.00 0.00 C ATOM 70 C VAL A 6 4.708 -0.773 -1.883 1.00 0.00 C ATOM 71 O VAL A 6 4.650 -1.091 -0.686 1.00 0.00 O ATOM 72 CB VAL A 6 3.332 1.322 -2.395 1.00 0.00 C ATOM 73 CG1 VAL A 6 3.170 1.692 -0.920 1.00 0.00 C ATOM 74 CG2 VAL A 6 4.489 2.081 -3.031 1.00 0.00 C ATOM 0 H VAL A 6 2.296 -1.045 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 6 3.594 -0.379 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 6 2.415 1.624 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.071 2.773 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.278 1.209 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.045 1.357 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.356 3.150 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.427 1.759 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.513 1.877 -4.102 1.00 0.00 H new ATOM 84 N CYS A 7 5.774 -0.949 -2.601 1.00 0.00 N ATOM 85 CA CYS A 7 6.979 -1.467 -2.023 1.00 0.00 C ATOM 86 C CYS A 7 8.076 -0.440 -2.034 1.00 0.00 C ATOM 87 O CYS A 7 8.169 0.390 -2.955 1.00 0.00 O ATOM 88 CB CYS A 7 7.435 -2.738 -2.734 1.00 0.00 C ATOM 89 SG CYS A 7 6.283 -4.149 -2.587 1.00 0.00 S ATOM 0 H CYS A 7 5.836 -0.740 -3.597 1.00 0.00 H new ATOM 0 HA CYS A 7 6.756 -1.718 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.582 -2.514 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.404 -3.034 -2.333 1.00 0.00 H new ATOM 94 N ARG A 8 8.853 -0.444 -0.984 1.00 0.00 N ATOM 95 CA ARG A 8 10.011 0.399 -0.892 1.00 0.00 C ATOM 96 C ARG A 8 11.125 -0.333 -0.185 1.00 0.00 C ATOM 97 O ARG A 8 11.048 -0.582 1.017 1.00 0.00 O ATOM 98 CB ARG A 8 9.706 1.713 -0.175 1.00 0.00 C ATOM 99 CG ARG A 8 10.888 2.675 -0.143 1.00 0.00 C ATOM 100 CD ARG A 8 10.491 4.032 0.397 1.00 0.00 C ATOM 101 NE ARG A 8 9.980 3.964 1.759 1.00 0.00 N ATOM 102 CZ ARG A 8 9.114 4.833 2.301 1.00 0.00 C ATOM 103 NH1 ARG A 8 8.566 5.803 1.563 1.00 0.00 N ATOM 104 NH2 ARG A 8 8.773 4.708 3.565 1.00 0.00 N ATOM 0 H ARG A 8 8.699 -1.034 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 8 10.322 0.646 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.864 2.200 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.396 1.497 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.682 2.256 0.475 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.293 2.788 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.354 4.697 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.731 4.469 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 8 10.306 3.196 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.805 5.889 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.909 6.457 1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.167 3.953 4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.115 5.366 3.983 1.00 0.00 H new ATOM 118 N ARG A 9 12.100 -0.761 -0.971 1.00 0.00 N ATOM 119 CA ARG A 9 13.342 -1.361 -0.485 1.00 0.00 C ATOM 120 C ARG A 9 13.058 -2.626 0.355 1.00 0.00 C ATOM 121 O ARG A 9 13.623 -2.845 1.429 1.00 0.00 O ATOM 122 CB ARG A 9 14.154 -0.293 0.274 1.00 0.00 C ATOM 123 CG ARG A 9 15.602 -0.642 0.562 1.00 0.00 C ATOM 124 CD ARG A 9 16.323 0.575 1.100 1.00 0.00 C ATOM 125 NE ARG A 9 17.745 0.337 1.342 1.00 0.00 N ATOM 126 CZ ARG A 9 18.747 1.092 0.870 1.00 0.00 C ATOM 127 NH1 ARG A 9 18.513 2.039 -0.041 1.00 0.00 N ATOM 128 NH2 ARG A 9 19.985 0.868 1.269 1.00 0.00 N ATOM 0 H ARG A 9 12.053 -0.702 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 9 13.947 -1.701 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.131 0.631 -0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.654 -0.090 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.653 -1.456 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.089 -0.993 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.213 1.397 0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.850 0.889 2.030 1.00 0.00 H new ATOM 0 HE ARG A 9 17.995 -0.468 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.565 2.193 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.282 2.608 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.179 0.121 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.748 1.442 0.910 1.00 0.00 H new ATOM 142 N GLY A 10 12.140 -3.429 -0.140 1.00 0.00 N ATOM 143 CA GLY A 10 11.784 -4.674 0.500 1.00 0.00 C ATOM 144 C GLY A 10 10.632 -4.531 1.475 1.00 0.00 C ATOM 145 O GLY A 10 10.053 -5.530 1.922 1.00 0.00 O ATOM 0 H GLY A 10 11.621 -3.236 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.518 -5.405 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.653 -5.066 1.028 1.00 0.00 H new ATOM 149 N VAL A 11 10.305 -3.306 1.828 1.00 0.00 N ATOM 150 CA VAL A 11 9.209 -3.056 2.737 1.00 0.00 C ATOM 151 C VAL A 11 7.962 -2.775 1.919 1.00 0.00 C ATOM 152 O VAL A 11 7.859 -1.737 1.248 1.00 0.00 O ATOM 153 CB VAL A 11 9.501 -1.854 3.682 1.00 0.00 C ATOM 154 CG1 VAL A 11 8.371 -1.659 4.686 1.00 0.00 C ATOM 155 CG2 VAL A 11 10.829 -2.043 4.406 1.00 0.00 C ATOM 0 H VAL A 11 10.784 -2.468 1.498 1.00 0.00 H new ATOM 0 HA VAL A 11 9.070 -3.936 3.366 1.00 0.00 H new ATOM 0 HB VAL A 11 9.568 -0.957 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.601 -0.813 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.440 -1.465 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.262 -2.559 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.011 -1.191 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.792 -2.956 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.634 -2.118 3.675 1.00 0.00 H new ATOM 165 N CYS A 12 7.040 -3.687 1.946 1.00 0.00 N ATOM 166 CA CYS A 12 5.840 -3.551 1.169 1.00 0.00 C ATOM 167 C CYS A 12 4.659 -3.257 2.066 1.00 0.00 C ATOM 168 O CYS A 12 4.399 -3.976 3.031 1.00 0.00 O ATOM 169 CB CYS A 12 5.594 -4.792 0.309 1.00 0.00 C ATOM 170 SG CYS A 12 6.912 -5.125 -0.919 1.00 0.00 S ATOM 0 H CYS A 12 7.093 -4.541 2.501 1.00 0.00 H new ATOM 0 HA CYS A 12 5.966 -2.707 0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.493 -5.659 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.645 -4.675 -0.215 1.00 0.00 H new ATOM 175 N ARG A 13 3.976 -2.191 1.775 1.00 0.00 N ATOM 176 CA ARG A 13 2.846 -1.770 2.568 1.00 0.00 C ATOM 177 C ARG A 13 1.599 -1.756 1.713 1.00 0.00 C ATOM 178 O ARG A 13 1.638 -1.314 0.564 1.00 0.00 O ATOM 179 CB ARG A 13 3.099 -0.378 3.157 1.00 0.00 C ATOM 180 CG ARG A 13 4.294 -0.309 4.096 1.00 0.00 C ATOM 181 CD ARG A 13 4.498 1.095 4.632 1.00 0.00 C ATOM 182 NE ARG A 13 4.836 2.050 3.570 1.00 0.00 N ATOM 183 CZ ARG A 13 4.462 3.334 3.534 1.00 0.00 C ATOM 184 NH1 ARG A 13 3.640 3.827 4.465 1.00 0.00 N ATOM 185 NH2 ARG A 13 4.893 4.119 2.555 1.00 0.00 N ATOM 0 H ARG A 13 4.182 -1.584 0.982 1.00 0.00 H new ATOM 0 HA ARG A 13 2.707 -2.473 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.251 0.328 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.208 -0.056 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.146 -0.999 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.192 -0.633 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.591 1.424 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.294 1.086 5.377 1.00 0.00 H new ATOM 0 HE ARG A 13 5.403 1.706 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.293 3.223 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.360 4.807 4.430 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.507 3.743 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.610 5.098 2.524 1.00 0.00 H new ATOM 199 N CYS A 14 0.520 -2.260 2.245 1.00 0.00 N ATOM 200 CA CYS A 14 -0.736 -2.271 1.535 1.00 0.00 C ATOM 201 C CYS A 14 -1.778 -1.515 2.303 1.00 0.00 C ATOM 202 O CYS A 14 -1.842 -1.591 3.535 1.00 0.00 O ATOM 203 CB CYS A 14 -1.242 -3.689 1.294 1.00 0.00 C ATOM 204 SG CYS A 14 -0.112 -4.770 0.360 1.00 0.00 S ATOM 0 H CYS A 14 0.482 -2.673 3.177 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.558 -1.795 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.447 -4.153 2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.190 -3.633 0.759 1.00 0.00 H new ATOM 209 N VAL A 15 -2.553 -0.775 1.590 1.00 0.00 N ATOM 210 CA VAL A 15 -3.670 -0.074 2.142 1.00 0.00 C ATOM 211 C VAL A 15 -4.906 -0.646 1.491 1.00 0.00 C ATOM 212 O VAL A 15 -5.054 -0.574 0.261 1.00 0.00 O ATOM 213 CB VAL A 15 -3.597 1.456 1.866 1.00 0.00 C ATOM 214 CG1 VAL A 15 -4.786 2.175 2.490 1.00 0.00 C ATOM 215 CG2 VAL A 15 -2.288 2.048 2.389 1.00 0.00 C ATOM 0 H VAL A 15 -2.430 -0.634 0.587 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.680 -0.198 3.225 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.630 1.600 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.714 3.243 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.711 1.785 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.785 2.012 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.264 3.118 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.219 1.884 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.446 1.564 1.893 1.00 0.00 H new ATOM 225 N CYS A 16 -5.747 -1.249 2.267 1.00 0.00 N ATOM 226 CA CYS A 16 -6.938 -1.843 1.746 1.00 0.00 C ATOM 227 C CYS A 16 -8.148 -1.068 2.143 1.00 0.00 C ATOM 228 O CYS A 16 -8.294 -0.666 3.305 1.00 0.00 O ATOM 229 CB CYS A 16 -7.090 -3.297 2.177 1.00 0.00 C ATOM 230 SG CYS A 16 -5.807 -4.423 1.545 1.00 0.00 S ATOM 0 H CYS A 16 -5.630 -1.344 3.276 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.845 -1.821 0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.086 -3.340 3.266 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.064 -3.658 1.847 1.00 0.00 H new ATOM 235 N ARG A 17 -8.999 -0.831 1.189 1.00 0.00 N ATOM 236 CA ARG A 17 -10.236 -0.157 1.444 1.00 0.00 C ATOM 237 C ARG A 17 -11.311 -0.636 0.486 1.00 0.00 C ATOM 238 O ARG A 17 -11.192 -0.479 -0.734 1.00 0.00 O ATOM 239 CB ARG A 17 -10.062 1.359 1.375 1.00 0.00 C ATOM 240 CG ARG A 17 -11.322 2.152 1.689 1.00 0.00 C ATOM 241 CD ARG A 17 -11.032 3.639 1.687 1.00 0.00 C ATOM 242 NE ARG A 17 -10.459 4.076 0.411 1.00 0.00 N ATOM 243 CZ ARG A 17 -9.587 5.079 0.262 1.00 0.00 C ATOM 244 NH1 ARG A 17 -9.259 5.837 1.298 1.00 0.00 N ATOM 245 NH2 ARG A 17 -9.045 5.317 -0.926 1.00 0.00 N ATOM 0 H ARG A 17 -8.855 -1.099 0.215 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.556 -0.401 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.278 1.655 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.718 1.628 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.093 1.926 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.713 1.854 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.952 4.190 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.342 3.877 2.497 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.748 3.576 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.672 5.656 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.594 6.601 1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.294 4.735 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.380 6.082 -1.039 1.00 0.00 H new ATOM 259 N ARG A 18 -12.293 -1.315 1.063 1.00 0.00 N ATOM 260 CA ARG A 18 -13.497 -1.798 0.393 1.00 0.00 C ATOM 261 C ARG A 18 -13.156 -2.613 -0.861 1.00 0.00 C ATOM 262 O ARG A 18 -13.613 -2.325 -1.989 1.00 0.00 O ATOM 263 CB ARG A 18 -14.473 -0.638 0.106 1.00 0.00 C ATOM 264 CG ARG A 18 -15.881 -1.093 -0.269 1.00 0.00 C ATOM 265 CD ARG A 18 -16.813 0.082 -0.491 1.00 0.00 C ATOM 266 NE ARG A 18 -16.451 0.878 -1.670 1.00 0.00 N ATOM 267 CZ ARG A 18 -16.848 2.139 -1.900 1.00 0.00 C ATOM 268 NH1 ARG A 18 -17.450 2.845 -0.932 1.00 0.00 N ATOM 269 NH2 ARG A 18 -16.608 2.702 -3.083 1.00 0.00 N ATOM 0 H ARG A 18 -12.273 -1.556 2.054 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.011 -2.482 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.531 0.001 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.071 -0.029 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.838 -1.699 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.280 -1.729 0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.833 -0.285 -0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.801 0.722 0.392 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.851 0.439 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.608 2.424 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.750 3.803 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.124 2.175 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.908 3.660 -3.262 1.00 0.00 H new TER 283 ARG A 18