USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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= -0.183 (180deg=-0.183) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0806 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.600 -0.335 2.468 1.00 0.00 N ATOM 2 CA GLY A 1 -11.771 -1.762 2.324 1.00 0.00 C ATOM 3 C GLY A 1 -11.052 -2.316 1.111 1.00 0.00 C ATOM 4 O GLY A 1 -11.156 -3.505 0.812 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.111 -0.008 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.401 -2.261 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.834 -1.991 2.248 1.00 0.00 H new ATOM 8 N PHE A 2 -10.332 -1.472 0.411 1.00 0.00 N ATOM 9 CA PHE A 2 -9.620 -1.879 -0.773 1.00 0.00 C ATOM 10 C PHE A 2 -8.132 -1.749 -0.520 1.00 0.00 C ATOM 11 O PHE A 2 -7.693 -0.807 0.149 1.00 0.00 O ATOM 12 CB PHE A 2 -10.049 -1.013 -1.966 1.00 0.00 C ATOM 13 CG PHE A 2 -9.424 -1.400 -3.276 1.00 0.00 C ATOM 14 CD1 PHE A 2 -9.935 -2.456 -4.012 1.00 0.00 C ATOM 15 CD2 PHE A 2 -8.326 -0.715 -3.767 1.00 0.00 C ATOM 16 CE1 PHE A 2 -9.367 -2.819 -5.211 1.00 0.00 C ATOM 17 CE2 PHE A 2 -7.754 -1.074 -4.965 1.00 0.00 C ATOM 18 CZ PHE A 2 -8.276 -2.128 -5.688 1.00 0.00 C ATOM 0 H PHE A 2 -10.224 -0.486 0.647 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.852 -2.917 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.133 -1.066 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.799 0.026 -1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.790 -3.001 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.914 0.109 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.776 -3.643 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.898 -0.532 -5.340 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.828 -2.411 -6.629 1.00 0.00 H new ATOM 28 N CYS A 3 -7.371 -2.675 -1.023 1.00 0.00 N ATOM 29 CA CYS A 3 -5.955 -2.664 -0.821 1.00 0.00 C ATOM 30 C CYS A 3 -5.218 -2.635 -2.138 1.00 0.00 C ATOM 31 O CYS A 3 -5.607 -3.296 -3.104 1.00 0.00 O ATOM 32 CB CYS A 3 -5.525 -3.879 -0.007 1.00 0.00 C ATOM 33 SG CYS A 3 -6.347 -4.030 1.619 1.00 0.00 S ATOM 0 H CYS A 3 -7.714 -3.456 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.702 -1.759 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.727 -4.779 -0.587 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.447 -3.834 0.148 1.00 0.00 H new ATOM 38 N ARG A 4 -4.180 -1.851 -2.174 1.00 0.00 N ATOM 39 CA ARG A 4 -3.300 -1.758 -3.304 1.00 0.00 C ATOM 40 C ARG A 4 -1.903 -1.885 -2.748 1.00 0.00 C ATOM 41 O ARG A 4 -1.636 -1.415 -1.628 1.00 0.00 O ATOM 42 CB ARG A 4 -3.474 -0.407 -4.028 1.00 0.00 C ATOM 43 CG ARG A 4 -2.590 -0.225 -5.265 1.00 0.00 C ATOM 44 CD ARG A 4 -2.925 -1.229 -6.361 1.00 0.00 C ATOM 45 NE ARG A 4 -4.273 -1.025 -6.909 1.00 0.00 N ATOM 46 CZ ARG A 4 -5.004 -1.955 -7.540 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.573 -3.212 -7.615 1.00 0.00 N ATOM 48 NH2 ARG A 4 -6.178 -1.621 -8.072 1.00 0.00 N ATOM 0 H ARG A 4 -3.915 -1.243 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.514 -2.535 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.517 -0.301 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.260 0.397 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.712 0.787 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.543 -0.334 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.192 -1.146 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.847 -2.240 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.687 -0.099 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.682 -3.472 -7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.133 -3.915 -8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.517 -0.662 -7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.738 -2.324 -8.553 1.00 0.00 H new ATOM 62 N CYS A 5 -1.028 -2.530 -3.447 1.00 0.00 N ATOM 63 CA CYS A 5 0.281 -2.689 -2.924 1.00 0.00 C ATOM 64 C CYS A 5 1.250 -1.711 -3.538 1.00 0.00 C ATOM 65 O CYS A 5 1.139 -1.346 -4.714 1.00 0.00 O ATOM 66 CB CYS A 5 0.750 -4.132 -3.013 1.00 0.00 C ATOM 67 SG CYS A 5 -0.432 -5.317 -2.252 1.00 0.00 S ATOM 0 H CYS A 5 -1.193 -2.947 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 5 0.245 -2.449 -1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.898 -4.397 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.718 -4.225 -2.520 1.00 0.00 H new ATOM 72 N LEU A 6 2.167 -1.274 -2.734 1.00 0.00 N ATOM 73 CA LEU A 6 3.137 -0.292 -3.104 1.00 0.00 C ATOM 74 C LEU A 6 4.478 -0.758 -2.614 1.00 0.00 C ATOM 75 O LEU A 6 4.582 -1.323 -1.529 1.00 0.00 O ATOM 76 CB LEU A 6 2.784 1.064 -2.460 1.00 0.00 C ATOM 77 CG LEU A 6 3.751 2.229 -2.733 1.00 0.00 C ATOM 78 CD1 LEU A 6 3.775 2.589 -4.208 1.00 0.00 C ATOM 79 CD2 LEU A 6 3.386 3.442 -1.889 1.00 0.00 C ATOM 0 H LEU A 6 2.264 -1.601 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 6 3.153 -0.164 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.792 1.357 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.718 0.922 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 6 4.753 1.904 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.467 3.415 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.099 1.725 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.776 2.885 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.083 4.254 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.373 3.762 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.441 3.180 -0.832 1.00 0.00 H new ATOM 91 N CYS A 7 5.479 -0.570 -3.389 1.00 0.00 N ATOM 92 CA CYS A 7 6.784 -0.961 -2.989 1.00 0.00 C ATOM 93 C CYS A 7 7.629 0.258 -2.777 1.00 0.00 C ATOM 94 O CYS A 7 7.719 1.132 -3.646 1.00 0.00 O ATOM 95 CB CYS A 7 7.402 -1.927 -3.996 1.00 0.00 C ATOM 96 SG CYS A 7 6.346 -3.375 -4.378 1.00 0.00 S ATOM 0 H CYS A 7 5.422 -0.144 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 7 6.725 -1.500 -2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.612 -1.388 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.358 -2.279 -3.608 1.00 0.00 H new ATOM 101 N ARG A 8 8.190 0.353 -1.609 1.00 0.00 N ATOM 102 CA ARG A 8 9.026 1.446 -1.255 1.00 0.00 C ATOM 103 C ARG A 8 10.465 0.981 -1.169 1.00 0.00 C ATOM 104 O ARG A 8 10.845 0.272 -0.226 1.00 0.00 O ATOM 105 CB ARG A 8 8.589 2.069 0.078 1.00 0.00 C ATOM 106 CG ARG A 8 9.521 3.175 0.533 1.00 0.00 C ATOM 107 CD ARG A 8 9.160 3.738 1.891 1.00 0.00 C ATOM 108 NE ARG A 8 10.220 4.636 2.350 1.00 0.00 N ATOM 109 CZ ARG A 8 10.229 5.357 3.473 1.00 0.00 C ATOM 110 NH1 ARG A 8 9.152 5.403 4.261 1.00 0.00 N ATOM 111 NH2 ARG A 8 11.316 6.062 3.777 1.00 0.00 N ATOM 0 H ARG A 8 8.074 -0.340 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 8 8.938 2.211 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.580 2.467 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.550 1.293 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.541 2.792 0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.506 3.979 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.214 4.276 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.022 2.927 2.606 1.00 0.00 H new ATOM 0 HE ARG A 8 11.039 4.720 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.312 4.884 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.170 5.957 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.125 6.046 3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.340 6.619 4.631 1.00 0.00 H new ATOM 125 N ARG A 9 11.225 1.313 -2.196 1.00 0.00 N ATOM 126 CA ARG A 9 12.665 1.076 -2.264 1.00 0.00 C ATOM 127 C ARG A 9 13.019 -0.405 -2.047 1.00 0.00 C ATOM 128 O ARG A 9 13.970 -0.740 -1.349 1.00 0.00 O ATOM 129 CB ARG A 9 13.391 2.007 -1.258 1.00 0.00 C ATOM 130 CG ARG A 9 14.896 2.200 -1.495 1.00 0.00 C ATOM 131 CD ARG A 9 15.176 2.607 -2.941 1.00 0.00 C ATOM 132 NE ARG A 9 14.222 3.623 -3.413 1.00 0.00 N ATOM 133 CZ ARG A 9 13.802 3.750 -4.681 1.00 0.00 C ATOM 134 NH1 ARG A 9 14.462 3.146 -5.675 1.00 0.00 N ATOM 135 NH2 ARG A 9 12.747 4.504 -4.951 1.00 0.00 N ATOM 0 H ARG A 9 10.853 1.767 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 9 13.011 1.317 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.910 2.985 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.248 1.608 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.279 2.964 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.425 1.275 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.191 2.996 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.120 1.729 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 9 13.853 4.279 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.289 2.585 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.138 3.246 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.257 4.985 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.424 4.604 -5.913 1.00 0.00 H new ATOM 149 N GLY A 10 12.231 -1.280 -2.624 1.00 0.00 N ATOM 150 CA GLY A 10 12.508 -2.691 -2.515 1.00 0.00 C ATOM 151 C GLY A 10 11.601 -3.398 -1.532 1.00 0.00 C ATOM 152 O GLY A 10 11.536 -4.632 -1.519 1.00 0.00 O ATOM 0 H GLY A 10 11.401 -1.043 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.401 -3.153 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.545 -2.829 -2.208 1.00 0.00 H new ATOM 156 N ASP A 11 10.912 -2.645 -0.698 1.00 0.00 N ATOM 157 CA ASP A 11 9.990 -3.247 0.262 1.00 0.00 C ATOM 158 C ASP A 11 8.569 -3.136 -0.204 1.00 0.00 C ATOM 159 O ASP A 11 8.019 -2.037 -0.289 1.00 0.00 O ATOM 160 CB ASP A 11 10.118 -2.636 1.659 1.00 0.00 C ATOM 161 CG ASP A 11 9.075 -3.198 2.614 1.00 0.00 C ATOM 162 OD1 ASP A 11 9.111 -4.412 2.904 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.216 -2.431 3.107 1.00 0.00 O ATOM 0 H ASP A 11 10.967 -1.627 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 11 10.267 -4.299 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.115 -2.832 2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.008 -1.554 1.595 1.00 0.00 H new ATOM 168 N CYS A 12 7.980 -4.242 -0.532 1.00 0.00 N ATOM 169 CA CYS A 12 6.613 -4.251 -0.933 1.00 0.00 C ATOM 170 C CYS A 12 5.717 -4.427 0.248 1.00 0.00 C ATOM 171 O CYS A 12 5.910 -5.303 1.091 1.00 0.00 O ATOM 172 CB CYS A 12 6.340 -5.272 -2.005 1.00 0.00 C ATOM 173 SG CYS A 12 7.286 -4.977 -3.544 1.00 0.00 S ATOM 0 H CYS A 12 8.431 -5.157 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 12 6.394 -3.280 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.582 -6.264 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.275 -5.270 -2.236 1.00 0.00 H new ATOM 178 N ARG A 13 4.764 -3.584 0.303 1.00 0.00 N ATOM 179 CA ARG A 13 3.834 -3.494 1.386 1.00 0.00 C ATOM 180 C ARG A 13 2.484 -3.174 0.791 1.00 0.00 C ATOM 181 O ARG A 13 2.407 -2.737 -0.368 1.00 0.00 O ATOM 182 CB ARG A 13 4.291 -2.379 2.348 1.00 0.00 C ATOM 183 CG ARG A 13 4.455 -1.012 1.689 1.00 0.00 C ATOM 184 CD ARG A 13 4.988 0.022 2.658 1.00 0.00 C ATOM 185 NE ARG A 13 6.324 -0.321 3.170 1.00 0.00 N ATOM 186 CZ ARG A 13 7.027 0.418 4.031 1.00 0.00 C ATOM 187 NH1 ARG A 13 6.532 1.565 4.501 1.00 0.00 N ATOM 188 NH2 ARG A 13 8.214 -0.006 4.418 1.00 0.00 N ATOM 0 H ARG A 13 4.591 -2.900 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 13 3.778 -4.426 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.567 -2.295 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.241 -2.669 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.133 -1.097 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.494 -0.680 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.030 0.992 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.296 0.122 3.495 1.00 0.00 H new ATOM 0 HE ARG A 13 6.745 -1.190 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.610 1.883 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.076 2.124 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.583 -0.887 4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.764 0.547 5.075 1.00 0.00 H new ATOM 202 N CYS A 14 1.434 -3.390 1.510 1.00 0.00 N ATOM 203 CA CYS A 14 0.156 -3.100 0.961 1.00 0.00 C ATOM 204 C CYS A 14 -0.588 -2.102 1.799 1.00 0.00 C ATOM 205 O CYS A 14 -0.612 -2.185 3.029 1.00 0.00 O ATOM 206 CB CYS A 14 -0.651 -4.360 0.682 1.00 0.00 C ATOM 207 SG CYS A 14 0.233 -5.608 -0.351 1.00 0.00 S ATOM 0 H CYS A 14 1.435 -3.759 2.461 1.00 0.00 H new ATOM 0 HA CYS A 14 0.317 -2.632 -0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.927 -4.820 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.578 -4.081 0.182 1.00 0.00 H new ATOM 212 N ILE A 15 -1.159 -1.149 1.130 1.00 0.00 N ATOM 213 CA ILE A 15 -1.861 -0.054 1.756 1.00 0.00 C ATOM 214 C ILE A 15 -3.345 -0.222 1.484 1.00 0.00 C ATOM 215 O ILE A 15 -3.752 -0.472 0.336 1.00 0.00 O ATOM 216 CB ILE A 15 -1.353 1.318 1.197 1.00 0.00 C ATOM 217 CG1 ILE A 15 0.158 1.470 1.464 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.126 2.492 1.807 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.768 2.747 0.911 1.00 0.00 C ATOM 0 H ILE A 15 -1.154 -1.103 0.111 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.676 -0.062 2.830 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.528 1.331 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.330 1.436 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.679 0.616 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.748 3.429 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.185 2.393 1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.996 2.491 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.833 2.772 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.632 2.777 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.278 3.610 1.362 1.00 0.00 H new ATOM 231 N CYS A 16 -4.140 -0.098 2.500 1.00 0.00 N ATOM 232 CA CYS A 16 -5.551 -0.302 2.369 1.00 0.00 C ATOM 233 C CYS A 16 -6.307 0.942 2.773 1.00 0.00 C ATOM 234 O CYS A 16 -5.890 1.680 3.670 1.00 0.00 O ATOM 235 CB CYS A 16 -5.999 -1.483 3.226 1.00 0.00 C ATOM 236 SG CYS A 16 -5.117 -3.051 2.893 1.00 0.00 S ATOM 0 H CYS A 16 -3.832 0.147 3.441 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.769 -0.520 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.865 -1.223 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.066 -1.643 3.071 1.00 0.00 H new ATOM 241 N THR A 17 -7.369 1.204 2.073 1.00 0.00 N ATOM 242 CA THR A 17 -8.267 2.287 2.369 1.00 0.00 C ATOM 243 C THR A 17 -9.610 1.944 1.746 1.00 0.00 C ATOM 244 O THR A 17 -9.658 1.402 0.627 1.00 0.00 O ATOM 245 CB THR A 17 -7.786 3.646 1.788 1.00 0.00 C ATOM 246 OG1 THR A 17 -6.423 3.916 2.182 1.00 0.00 O ATOM 247 CG2 THR A 17 -8.666 4.786 2.292 1.00 0.00 C ATOM 0 H THR A 17 -7.645 0.657 1.257 1.00 0.00 H new ATOM 0 HA THR A 17 -8.322 2.401 3.452 1.00 0.00 H new ATOM 0 HB THR A 17 -7.850 3.580 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.138 4.775 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.314 5.729 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.697 4.614 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.617 4.830 3.380 1.00 0.00 H new ATOM 255 N ARG A 18 -10.673 2.199 2.491 1.00 0.00 N ATOM 256 CA ARG A 18 -12.045 2.014 2.051 1.00 0.00 C ATOM 257 C ARG A 18 -12.318 0.523 1.762 1.00 0.00 C ATOM 258 O ARG A 18 -13.122 0.166 0.896 1.00 0.00 O ATOM 259 CB ARG A 18 -12.280 2.890 0.819 1.00 0.00 C ATOM 260 CG ARG A 18 -13.710 3.118 0.438 1.00 0.00 C ATOM 261 CD ARG A 18 -13.775 3.894 -0.869 1.00 0.00 C ATOM 262 NE ARG A 18 -12.940 5.112 -0.814 1.00 0.00 N ATOM 263 CZ ARG A 18 -12.513 5.817 -1.873 1.00 0.00 C ATOM 264 NH1 ARG A 18 -12.947 5.530 -3.104 1.00 0.00 N ATOM 265 NH2 ARG A 18 -11.662 6.821 -1.687 1.00 0.00 N ATOM 0 H ARG A 18 -10.603 2.551 3.446 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.741 2.316 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.812 3.859 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.767 2.435 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.225 2.163 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.223 3.670 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.440 3.258 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.809 4.169 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.664 5.446 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.610 4.768 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.615 6.073 -3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.340 7.049 -0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.331 7.363 -2.485 1.00 0.00 H new TER 279 ARG A 18