USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 132 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= -0.339 (180deg=-0.339) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.948 -1.799 0.854 1.00 0.00 N ATOM 2 CA GLY A 1 -11.899 -3.233 1.007 1.00 0.00 C ATOM 3 C GLY A 1 -11.021 -3.862 -0.048 1.00 0.00 C ATOM 4 O GLY A 1 -10.645 -5.029 0.049 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.558 -1.392 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.519 -3.483 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.906 -3.644 0.939 1.00 0.00 H new ATOM 8 N ASP A 2 -10.683 -3.083 -1.045 1.00 0.00 N ATOM 9 CA ASP A 2 -9.844 -3.529 -2.125 1.00 0.00 C ATOM 10 C ASP A 2 -8.428 -3.245 -1.752 1.00 0.00 C ATOM 11 O ASP A 2 -8.042 -2.076 -1.569 1.00 0.00 O ATOM 12 CB ASP A 2 -10.187 -2.803 -3.439 1.00 0.00 C ATOM 13 CG ASP A 2 -11.553 -3.151 -3.995 1.00 0.00 C ATOM 14 OD1 ASP A 2 -12.562 -2.490 -3.631 1.00 0.00 O ATOM 15 OD2 ASP A 2 -11.650 -4.088 -4.819 1.00 0.00 O ATOM 0 H ASP A 2 -10.986 -2.113 -1.129 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.001 -4.595 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.137 -1.727 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.430 -3.045 -4.185 1.00 0.00 H new ATOM 20 N CYS A 3 -7.651 -4.268 -1.565 1.00 0.00 N ATOM 21 CA CYS A 3 -6.296 -4.051 -1.189 1.00 0.00 C ATOM 22 C CYS A 3 -5.392 -4.037 -2.375 1.00 0.00 C ATOM 23 O CYS A 3 -5.233 -5.026 -3.100 1.00 0.00 O ATOM 24 CB CYS A 3 -5.828 -4.999 -0.116 1.00 0.00 C ATOM 25 SG CYS A 3 -6.930 -5.048 1.356 1.00 0.00 S ATOM 0 H CYS A 3 -7.929 -5.244 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.250 -3.058 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.753 -6.002 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.826 -4.710 0.200 1.00 0.00 H new ATOM 30 N ARG A 4 -4.798 -2.916 -2.547 1.00 0.00 N ATOM 31 CA ARG A 4 -3.913 -2.648 -3.648 1.00 0.00 C ATOM 32 C ARG A 4 -2.500 -2.574 -3.136 1.00 0.00 C ATOM 33 O ARG A 4 -2.247 -2.021 -2.063 1.00 0.00 O ATOM 34 CB ARG A 4 -4.356 -1.373 -4.397 1.00 0.00 C ATOM 35 CG ARG A 4 -4.517 -0.132 -3.521 1.00 0.00 C ATOM 36 CD ARG A 4 -5.311 0.958 -4.232 1.00 0.00 C ATOM 37 NE ARG A 4 -6.652 0.472 -4.600 1.00 0.00 N ATOM 38 CZ ARG A 4 -7.761 1.207 -4.742 1.00 0.00 C ATOM 39 NH1 ARG A 4 -7.750 2.521 -4.551 1.00 0.00 N ATOM 40 NH2 ARG A 4 -8.885 0.608 -5.086 1.00 0.00 N ATOM 0 H ARG A 4 -4.909 -2.125 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.956 -3.457 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.626 -1.156 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.305 -1.573 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.021 -0.404 -2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.534 0.252 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.400 1.830 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.777 1.278 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.745 -0.530 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.883 2.991 -4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.608 3.060 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.899 -0.400 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.740 1.153 -5.199 1.00 0.00 H new ATOM 54 N CYS A 5 -1.587 -3.155 -3.843 1.00 0.00 N ATOM 55 CA CYS A 5 -0.250 -3.230 -3.350 1.00 0.00 C ATOM 56 C CYS A 5 0.674 -2.239 -4.010 1.00 0.00 C ATOM 57 O CYS A 5 0.577 -1.977 -5.214 1.00 0.00 O ATOM 58 CB CYS A 5 0.278 -4.654 -3.404 1.00 0.00 C ATOM 59 SG CYS A 5 -0.757 -5.847 -2.460 1.00 0.00 S ATOM 0 H CYS A 5 -1.739 -3.582 -4.757 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.280 -2.939 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.334 -4.975 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.294 -4.673 -3.010 1.00 0.00 H new ATOM 64 N LEU A 6 1.532 -1.669 -3.204 1.00 0.00 N ATOM 65 CA LEU A 6 2.485 -0.670 -3.621 1.00 0.00 C ATOM 66 C LEU A 6 3.859 -1.169 -3.250 1.00 0.00 C ATOM 67 O LEU A 6 3.987 -2.032 -2.381 1.00 0.00 O ATOM 68 CB LEU A 6 2.239 0.645 -2.862 1.00 0.00 C ATOM 69 CG LEU A 6 0.833 1.241 -2.927 1.00 0.00 C ATOM 70 CD1 LEU A 6 0.770 2.509 -2.096 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.423 1.519 -4.364 1.00 0.00 C ATOM 0 H LEU A 6 1.590 -1.893 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 6 2.391 -0.494 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.487 0.480 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.939 1.389 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 6 0.131 0.515 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.235 2.928 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.014 2.277 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.486 3.234 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.581 1.942 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.122 2.225 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.434 0.589 -4.932 1.00 0.00 H new ATOM 83 N CYS A 7 4.873 -0.659 -3.865 1.00 0.00 N ATOM 84 CA CYS A 7 6.200 -1.077 -3.502 1.00 0.00 C ATOM 85 C CYS A 7 7.093 0.127 -3.297 1.00 0.00 C ATOM 86 O CYS A 7 7.045 1.093 -4.080 1.00 0.00 O ATOM 87 CB CYS A 7 6.801 -2.043 -4.541 1.00 0.00 C ATOM 88 SG CYS A 7 5.788 -3.535 -4.902 1.00 0.00 S ATOM 0 H CYS A 7 4.819 0.036 -4.609 1.00 0.00 H new ATOM 0 HA CYS A 7 6.132 -1.623 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.960 -1.498 -5.471 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.781 -2.365 -4.189 1.00 0.00 H new ATOM 93 N ARG A 8 7.860 0.105 -2.235 1.00 0.00 N ATOM 94 CA ARG A 8 8.809 1.149 -1.960 1.00 0.00 C ATOM 95 C ARG A 8 10.102 0.514 -1.514 1.00 0.00 C ATOM 96 O ARG A 8 10.103 -0.299 -0.597 1.00 0.00 O ATOM 97 CB ARG A 8 8.268 2.155 -0.914 1.00 0.00 C ATOM 98 CG ARG A 8 9.236 3.300 -0.597 1.00 0.00 C ATOM 99 CD ARG A 8 8.564 4.447 0.156 1.00 0.00 C ATOM 100 NE ARG A 8 7.988 4.046 1.445 1.00 0.00 N ATOM 101 CZ ARG A 8 7.303 4.867 2.263 1.00 0.00 C ATOM 102 NH1 ARG A 8 7.139 6.153 1.951 1.00 0.00 N ATOM 103 NH2 ARG A 8 6.798 4.399 3.394 1.00 0.00 N ATOM 0 H ARG A 8 7.842 -0.639 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 8 8.986 1.728 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.331 2.575 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.040 1.619 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.065 2.916 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.660 3.680 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.295 5.238 0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.777 4.869 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 8 8.116 3.078 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.534 6.522 1.086 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.618 6.767 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.928 3.419 3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.279 5.019 4.016 1.00 0.00 H new ATOM 117 N ARG A 9 11.189 0.830 -2.227 1.00 0.00 N ATOM 118 CA ARG A 9 12.541 0.294 -1.942 1.00 0.00 C ATOM 119 C ARG A 9 12.602 -1.202 -2.211 1.00 0.00 C ATOM 120 O ARG A 9 13.455 -1.896 -1.690 1.00 0.00 O ATOM 121 CB ARG A 9 12.961 0.544 -0.491 1.00 0.00 C ATOM 122 CG ARG A 9 13.001 1.987 -0.074 1.00 0.00 C ATOM 123 CD ARG A 9 13.333 2.092 1.392 1.00 0.00 C ATOM 124 NE ARG A 9 13.229 3.456 1.880 1.00 0.00 N ATOM 125 CZ ARG A 9 12.812 3.798 3.096 1.00 0.00 C ATOM 126 NH1 ARG A 9 12.311 2.875 3.924 1.00 0.00 N ATOM 127 NH2 ARG A 9 12.851 5.066 3.472 1.00 0.00 N ATOM 0 H ARG A 9 11.164 1.467 -3.023 1.00 0.00 H new ATOM 0 HA ARG A 9 13.227 0.820 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.273 0.012 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.949 0.111 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.745 2.524 -0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.038 2.458 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.660 1.451 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.345 1.723 1.561 1.00 0.00 H new ATOM 0 HE ARG A 9 13.495 4.207 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.247 1.902 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.993 3.144 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.200 5.778 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.532 5.332 4.404 1.00 0.00 H new ATOM 141 N GLY A 10 11.673 -1.689 -2.990 1.00 0.00 N ATOM 142 CA GLY A 10 11.611 -3.106 -3.289 1.00 0.00 C ATOM 143 C GLY A 10 10.782 -3.850 -2.267 1.00 0.00 C ATOM 144 O GLY A 10 10.522 -5.043 -2.408 1.00 0.00 O ATOM 0 H GLY A 10 10.945 -1.129 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.184 -3.252 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.619 -3.519 -3.312 1.00 0.00 H new ATOM 148 N ASP A 11 10.366 -3.146 -1.238 1.00 0.00 N ATOM 149 CA ASP A 11 9.570 -3.719 -0.172 1.00 0.00 C ATOM 150 C ASP A 11 8.120 -3.430 -0.503 1.00 0.00 C ATOM 151 O ASP A 11 7.702 -2.257 -0.541 1.00 0.00 O ATOM 152 CB ASP A 11 9.965 -3.068 1.171 1.00 0.00 C ATOM 153 CG ASP A 11 9.355 -3.721 2.399 1.00 0.00 C ATOM 154 OD1 ASP A 11 8.150 -3.634 2.605 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.104 -4.304 3.210 1.00 0.00 O ATOM 0 H ASP A 11 10.571 -2.154 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 11 9.732 -4.793 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.051 -3.093 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.670 -2.019 1.151 1.00 0.00 H new ATOM 160 N CYS A 12 7.376 -4.452 -0.826 1.00 0.00 N ATOM 161 CA CYS A 12 6.007 -4.258 -1.207 1.00 0.00 C ATOM 162 C CYS A 12 5.079 -4.349 -0.043 1.00 0.00 C ATOM 163 O CYS A 12 5.125 -5.287 0.751 1.00 0.00 O ATOM 164 CB CYS A 12 5.587 -5.174 -2.326 1.00 0.00 C ATOM 165 SG CYS A 12 6.641 -5.034 -3.817 1.00 0.00 S ATOM 0 H CYS A 12 7.693 -5.421 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 12 5.939 -3.240 -1.590 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.609 -6.204 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.555 -4.953 -2.598 1.00 0.00 H new ATOM 170 N ARG A 13 4.248 -3.367 0.041 1.00 0.00 N ATOM 171 CA ARG A 13 3.300 -3.207 1.131 1.00 0.00 C ATOM 172 C ARG A 13 1.944 -2.920 0.539 1.00 0.00 C ATOM 173 O ARG A 13 1.850 -2.303 -0.524 1.00 0.00 O ATOM 174 CB ARG A 13 3.763 -2.072 2.056 1.00 0.00 C ATOM 175 CG ARG A 13 5.135 -2.346 2.628 1.00 0.00 C ATOM 176 CD ARG A 13 5.693 -1.227 3.470 1.00 0.00 C ATOM 177 NE ARG A 13 7.042 -1.591 3.913 1.00 0.00 N ATOM 178 CZ ARG A 13 7.750 -1.004 4.874 1.00 0.00 C ATOM 179 NH1 ARG A 13 7.280 0.071 5.500 1.00 0.00 N ATOM 180 NH2 ARG A 13 8.947 -1.496 5.188 1.00 0.00 N ATOM 0 H ARG A 13 4.194 -2.625 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 13 3.240 -4.116 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.780 -1.134 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.047 -1.949 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.089 -3.252 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.824 -2.546 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.722 -0.302 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.050 -1.047 4.331 1.00 0.00 H new ATOM 0 HE ARG A 13 7.484 -2.376 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.369 0.452 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.830 0.514 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.309 -2.312 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.502 -1.057 5.923 1.00 0.00 H new ATOM 194 N CYS A 14 0.904 -3.360 1.168 1.00 0.00 N ATOM 195 CA CYS A 14 -0.383 -3.199 0.568 1.00 0.00 C ATOM 196 C CYS A 14 -1.252 -2.252 1.351 1.00 0.00 C ATOM 197 O CYS A 14 -1.209 -2.218 2.575 1.00 0.00 O ATOM 198 CB CYS A 14 -1.061 -4.550 0.337 1.00 0.00 C ATOM 199 SG CYS A 14 -0.017 -5.781 -0.566 1.00 0.00 S ATOM 0 H CYS A 14 0.915 -3.824 2.076 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.234 -2.744 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.345 -4.970 1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.981 -4.390 -0.225 1.00 0.00 H new ATOM 204 N ILE A 15 -2.012 -1.473 0.636 1.00 0.00 N ATOM 205 CA ILE A 15 -2.908 -0.516 1.215 1.00 0.00 C ATOM 206 C ILE A 15 -4.337 -0.870 0.820 1.00 0.00 C ATOM 207 O ILE A 15 -4.624 -1.171 -0.348 1.00 0.00 O ATOM 208 CB ILE A 15 -2.542 0.950 0.792 1.00 0.00 C ATOM 209 CG1 ILE A 15 -3.544 1.962 1.374 1.00 0.00 C ATOM 210 CG2 ILE A 15 -2.441 1.092 -0.725 1.00 0.00 C ATOM 211 CD1 ILE A 15 -3.198 3.412 1.098 1.00 0.00 C ATOM 0 H ILE A 15 -2.026 -1.486 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.816 -0.556 2.300 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.559 1.170 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.533 1.753 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.607 1.815 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.186 2.121 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.667 0.423 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.397 0.833 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.955 4.058 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.225 3.643 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.165 3.580 0.021 1.00 0.00 H new ATOM 223 N CYS A 16 -5.206 -0.900 1.768 1.00 0.00 N ATOM 224 CA CYS A 16 -6.561 -1.247 1.490 1.00 0.00 C ATOM 225 C CYS A 16 -7.411 -0.017 1.357 1.00 0.00 C ATOM 226 O CYS A 16 -7.253 0.940 2.106 1.00 0.00 O ATOM 227 CB CYS A 16 -7.103 -2.221 2.528 1.00 0.00 C ATOM 228 SG CYS A 16 -6.099 -3.752 2.684 1.00 0.00 S ATOM 0 H CYS A 16 -5.006 -0.689 2.746 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.595 -1.763 0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.145 -1.722 3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.125 -2.491 2.264 1.00 0.00 H new ATOM 233 N THR A 17 -8.236 0.005 0.344 1.00 0.00 N ATOM 234 CA THR A 17 -9.132 1.100 0.118 1.00 0.00 C ATOM 235 C THR A 17 -10.444 0.515 -0.352 1.00 0.00 C ATOM 236 O THR A 17 -10.467 -0.242 -1.309 1.00 0.00 O ATOM 237 CB THR A 17 -8.585 2.033 -0.963 1.00 0.00 C ATOM 238 OG1 THR A 17 -7.187 2.310 -0.698 1.00 0.00 O ATOM 239 CG2 THR A 17 -9.351 3.342 -0.978 1.00 0.00 C ATOM 0 H THR A 17 -8.303 -0.741 -0.349 1.00 0.00 H new ATOM 0 HA THR A 17 -9.255 1.677 1.035 1.00 0.00 H new ATOM 0 HB THR A 17 -8.697 1.545 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.835 2.907 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.946 3.992 -1.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.404 3.145 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.255 3.831 -0.009 1.00 0.00 H new ATOM 247 N ARG A 18 -11.508 0.827 0.357 1.00 0.00 N ATOM 248 CA ARG A 18 -12.854 0.309 0.083 1.00 0.00 C ATOM 249 C ARG A 18 -12.931 -1.221 0.210 1.00 0.00 C ATOM 250 O ARG A 18 -13.872 -1.849 -0.258 1.00 0.00 O ATOM 251 CB ARG A 18 -13.347 0.751 -1.293 1.00 0.00 C ATOM 252 CG ARG A 18 -13.641 2.237 -1.430 1.00 0.00 C ATOM 253 CD ARG A 18 -14.814 2.636 -0.551 1.00 0.00 C ATOM 254 NE ARG A 18 -15.220 4.030 -0.753 1.00 0.00 N ATOM 255 CZ ARG A 18 -16.491 4.473 -0.674 1.00 0.00 C ATOM 256 NH1 ARG A 18 -17.493 3.612 -0.491 1.00 0.00 N ATOM 257 NH2 ARG A 18 -16.753 5.763 -0.810 1.00 0.00 N ATOM 0 H ARG A 18 -11.473 1.459 1.157 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.509 0.734 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.598 0.475 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.253 0.194 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.759 2.814 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.863 2.474 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.660 1.981 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.547 2.487 0.495 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.492 4.711 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.299 2.614 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.453 3.952 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.993 6.423 -0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.715 6.097 -0.750 1.00 0.00 H new TER 271 ARG A 18