USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 142 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= -0.803 (180deg=-0.803) USER MOD Single : A 17 THR OG1 : rot 63:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.975 -4.266 -0.724 1.00 0.00 N ATOM 2 CA GLY A 1 11.411 -4.152 0.651 1.00 0.00 C ATOM 3 C GLY A 1 10.308 -4.538 1.619 1.00 0.00 C ATOM 4 O GLY A 1 10.580 -4.995 2.727 1.00 0.00 O ATOM 0 H2 GLY A 1 11.753 -3.995 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.279 -4.792 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.728 -3.128 0.849 1.00 0.00 H new ATOM 8 N PHE A 2 9.054 -4.365 1.191 1.00 0.00 N ATOM 9 CA PHE A 2 7.898 -4.706 2.017 1.00 0.00 C ATOM 10 C PHE A 2 6.607 -4.565 1.201 1.00 0.00 C ATOM 11 O PHE A 2 6.463 -3.613 0.433 1.00 0.00 O ATOM 12 CB PHE A 2 7.828 -3.795 3.247 1.00 0.00 C ATOM 13 CG PHE A 2 7.041 -4.381 4.385 1.00 0.00 C ATOM 14 CD1 PHE A 2 7.517 -5.481 5.079 1.00 0.00 C ATOM 15 CD2 PHE A 2 5.825 -3.831 4.760 1.00 0.00 C ATOM 16 CE1 PHE A 2 6.795 -6.023 6.126 1.00 0.00 C ATOM 17 CE2 PHE A 2 5.099 -4.369 5.805 1.00 0.00 C ATOM 18 CZ PHE A 2 5.585 -5.466 6.489 1.00 0.00 C ATOM 0 H PHE A 2 8.816 -3.989 0.273 1.00 0.00 H new ATOM 0 HA PHE A 2 8.006 -5.739 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.841 -3.581 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.381 -2.843 2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.463 -5.920 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.441 -2.972 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.177 -6.881 6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.152 -3.932 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.019 -5.888 7.307 1.00 0.00 H new ATOM 28 N CYS A 3 5.661 -5.487 1.364 1.00 0.00 N ATOM 29 CA CYS A 3 4.409 -5.408 0.629 1.00 0.00 C ATOM 30 C CYS A 3 3.265 -5.056 1.568 1.00 0.00 C ATOM 31 O CYS A 3 2.954 -5.798 2.499 1.00 0.00 O ATOM 32 CB CYS A 3 4.128 -6.724 -0.099 1.00 0.00 C ATOM 33 SG CYS A 3 5.132 -6.960 -1.603 1.00 0.00 S ATOM 0 H CYS A 3 5.739 -6.287 1.992 1.00 0.00 H new ATOM 0 HA CYS A 3 4.495 -4.619 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.313 -7.553 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.072 -6.762 -0.368 1.00 0.00 H new ATOM 38 N ARG A 4 2.647 -3.911 1.323 1.00 0.00 N ATOM 39 CA ARG A 4 1.542 -3.448 2.146 1.00 0.00 C ATOM 40 C ARG A 4 0.216 -3.947 1.584 1.00 0.00 C ATOM 41 O ARG A 4 -0.550 -3.186 0.986 1.00 0.00 O ATOM 42 CB ARG A 4 1.544 -1.918 2.227 1.00 0.00 C ATOM 43 CG ARG A 4 2.566 -1.360 3.205 1.00 0.00 C ATOM 44 CD ARG A 4 3.849 -0.940 2.501 1.00 0.00 C ATOM 45 NE ARG A 4 4.921 -0.643 3.454 1.00 0.00 N ATOM 46 CZ ARG A 4 6.175 -0.347 3.105 1.00 0.00 C ATOM 47 NH1 ARG A 4 6.527 -0.311 1.824 1.00 0.00 N ATOM 48 NH2 ARG A 4 7.081 -0.088 4.044 1.00 0.00 N ATOM 0 H ARG A 4 2.894 -3.284 0.558 1.00 0.00 H new ATOM 0 HA ARG A 4 1.666 -3.850 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.742 -1.511 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.551 -1.577 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.140 -0.503 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.795 -2.112 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.171 -1.735 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.655 -0.061 1.886 1.00 0.00 H new ATOM 0 HE ARG A 4 4.695 -0.664 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.837 -0.510 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.487 -0.084 1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.817 -0.116 5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.040 0.138 3.779 1.00 0.00 H new ATOM 62 N CYS A 5 -0.050 -5.230 1.765 1.00 0.00 N ATOM 63 CA CYS A 5 -1.279 -5.831 1.266 1.00 0.00 C ATOM 64 C CYS A 5 -2.421 -5.654 2.262 1.00 0.00 C ATOM 65 O CYS A 5 -3.039 -6.625 2.689 1.00 0.00 O ATOM 66 CB CYS A 5 -1.065 -7.317 0.965 1.00 0.00 C ATOM 67 SG CYS A 5 0.485 -7.688 0.076 1.00 0.00 S ATOM 0 H CYS A 5 0.568 -5.877 2.254 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.551 -5.320 0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.073 -7.871 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.905 -7.681 0.373 1.00 0.00 H new ATOM 72 N LEU A 6 -2.699 -4.406 2.621 1.00 0.00 N ATOM 73 CA LEU A 6 -3.775 -4.103 3.559 1.00 0.00 C ATOM 74 C LEU A 6 -5.122 -4.235 2.860 1.00 0.00 C ATOM 75 O LEU A 6 -6.031 -4.886 3.369 1.00 0.00 O ATOM 76 CB LEU A 6 -3.613 -2.690 4.130 1.00 0.00 C ATOM 77 CG LEU A 6 -2.211 -2.089 3.996 1.00 0.00 C ATOM 78 CD1 LEU A 6 -2.297 -0.617 3.627 1.00 0.00 C ATOM 79 CD2 LEU A 6 -1.426 -2.273 5.286 1.00 0.00 C ATOM 0 H LEU A 6 -2.195 -3.588 2.278 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.728 -4.813 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.323 -2.030 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.883 -2.709 5.186 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.685 -2.613 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.292 -0.205 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.821 -0.510 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.840 -0.078 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.432 -1.840 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.947 -1.775 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.335 -3.336 5.508 1.00 0.00 H new ATOM 91 N CYS A 7 -5.215 -3.620 1.678 1.00 0.00 N ATOM 92 CA CYS A 7 -6.424 -3.652 0.850 1.00 0.00 C ATOM 93 C CYS A 7 -7.558 -2.808 1.438 1.00 0.00 C ATOM 94 O CYS A 7 -7.683 -2.647 2.650 1.00 0.00 O ATOM 95 CB CYS A 7 -6.887 -5.098 0.623 1.00 0.00 C ATOM 96 SG CYS A 7 -6.175 -5.866 -0.870 1.00 0.00 S ATOM 0 H CYS A 7 -4.451 -3.084 1.267 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.163 -3.209 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.619 -5.697 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.974 -5.115 0.547 1.00 0.00 H new ATOM 101 N ARG A 8 -8.385 -2.262 0.554 1.00 0.00 N ATOM 102 CA ARG A 8 -9.510 -1.437 0.955 1.00 0.00 C ATOM 103 C ARG A 8 -10.756 -1.897 0.220 1.00 0.00 C ATOM 104 O ARG A 8 -10.650 -2.489 -0.853 1.00 0.00 O ATOM 105 CB ARG A 8 -9.210 0.039 0.655 1.00 0.00 C ATOM 106 CG ARG A 8 -9.843 1.017 1.634 1.00 0.00 C ATOM 107 CD ARG A 8 -11.084 1.672 1.043 1.00 0.00 C ATOM 108 NE ARG A 8 -10.746 2.692 0.047 1.00 0.00 N ATOM 109 CZ ARG A 8 -11.456 2.927 -1.061 1.00 0.00 C ATOM 110 NH1 ARG A 8 -12.553 2.219 -1.322 1.00 0.00 N ATOM 111 NH2 ARG A 8 -11.068 3.874 -1.909 1.00 0.00 N ATOM 0 H ARG A 8 -8.293 -2.380 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.678 -1.538 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.130 0.186 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.560 0.272 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.109 0.494 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.118 1.785 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.712 0.909 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.670 2.126 1.842 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.915 3.260 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.857 1.492 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.090 2.404 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.229 4.421 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.609 4.054 -2.755 1.00 0.00 H new ATOM 125 N ARG A 9 -11.927 -1.640 0.801 1.00 0.00 N ATOM 126 CA ARG A 9 -13.190 -2.042 0.187 1.00 0.00 C ATOM 127 C ARG A 9 -13.409 -1.287 -1.120 1.00 0.00 C ATOM 128 O ARG A 9 -14.094 -0.265 -1.160 1.00 0.00 O ATOM 129 CB ARG A 9 -14.364 -1.806 1.145 1.00 0.00 C ATOM 130 CG ARG A 9 -15.651 -2.491 0.712 1.00 0.00 C ATOM 131 CD ARG A 9 -15.631 -3.978 1.033 1.00 0.00 C ATOM 132 NE ARG A 9 -16.291 -4.773 -0.007 1.00 0.00 N ATOM 133 CZ ARG A 9 -16.111 -6.086 -0.171 1.00 0.00 C ATOM 134 NH1 ARG A 9 -15.296 -6.756 0.638 1.00 0.00 N ATOM 135 NH2 ARG A 9 -16.751 -6.728 -1.144 1.00 0.00 N ATOM 0 H ARG A 9 -12.027 -1.157 1.694 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.139 -3.109 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.089 -2.162 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.543 -0.734 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.499 -2.022 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.795 -2.352 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.599 -4.311 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.126 -4.149 1.989 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.927 -4.294 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.806 -6.267 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.161 -7.759 0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.379 -6.218 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.614 -7.731 -1.270 1.00 0.00 H new ATOM 149 N GLY A 10 -12.791 -1.792 -2.171 1.00 0.00 N ATOM 150 CA GLY A 10 -12.890 -1.178 -3.480 1.00 0.00 C ATOM 151 C GLY A 10 -11.577 -1.247 -4.235 1.00 0.00 C ATOM 152 O GLY A 10 -11.546 -1.116 -5.454 1.00 0.00 O ATOM 0 H GLY A 10 -12.212 -2.631 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.668 -1.677 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.192 -0.136 -3.371 1.00 0.00 H new ATOM 156 N VAL A 11 -10.487 -1.471 -3.503 1.00 0.00 N ATOM 157 CA VAL A 11 -9.161 -1.576 -4.103 1.00 0.00 C ATOM 158 C VAL A 11 -8.337 -2.640 -3.386 1.00 0.00 C ATOM 159 O VAL A 11 -7.895 -2.439 -2.253 1.00 0.00 O ATOM 160 CB VAL A 11 -8.383 -0.236 -4.075 1.00 0.00 C ATOM 161 CG1 VAL A 11 -8.540 0.507 -5.393 1.00 0.00 C ATOM 162 CG2 VAL A 11 -8.822 0.639 -2.908 1.00 0.00 C ATOM 0 H VAL A 11 -10.498 -1.583 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.316 -1.853 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.328 -0.470 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.986 1.445 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.152 -0.107 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.595 0.717 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.256 1.571 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.886 0.859 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.639 0.114 -1.971 1.00 0.00 H new ATOM 172 N CYS A 12 -8.139 -3.772 -4.042 1.00 0.00 N ATOM 173 CA CYS A 12 -7.374 -4.861 -3.456 1.00 0.00 C ATOM 174 C CYS A 12 -6.311 -5.360 -4.428 1.00 0.00 C ATOM 175 O CYS A 12 -6.557 -6.256 -5.231 1.00 0.00 O ATOM 176 CB CYS A 12 -8.298 -6.013 -3.050 1.00 0.00 C ATOM 177 SG CYS A 12 -7.705 -6.974 -1.618 1.00 0.00 S ATOM 0 H CYS A 12 -8.496 -3.961 -4.978 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.877 -4.481 -2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.284 -5.610 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.419 -6.685 -3.900 1.00 0.00 H new ATOM 182 N ARG A 13 -5.130 -4.765 -4.353 1.00 0.00 N ATOM 183 CA ARG A 13 -4.028 -5.151 -5.227 1.00 0.00 C ATOM 184 C ARG A 13 -2.722 -5.243 -4.442 1.00 0.00 C ATOM 185 O ARG A 13 -1.711 -5.704 -4.970 1.00 0.00 O ATOM 186 CB ARG A 13 -3.879 -4.151 -6.379 1.00 0.00 C ATOM 187 CG ARG A 13 -3.848 -4.803 -7.753 1.00 0.00 C ATOM 188 CD ARG A 13 -2.495 -5.438 -8.044 1.00 0.00 C ATOM 189 NE ARG A 13 -1.560 -4.491 -8.658 1.00 0.00 N ATOM 190 CZ ARG A 13 -0.480 -3.999 -8.045 1.00 0.00 C ATOM 191 NH1 ARG A 13 -0.195 -4.359 -6.798 1.00 0.00 N ATOM 192 NH2 ARG A 13 0.316 -3.146 -8.682 1.00 0.00 N ATOM 0 H ARG A 13 -4.909 -4.015 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.254 -6.133 -5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.705 -3.441 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.962 -3.580 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.627 -5.563 -7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.071 -4.057 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.067 -5.819 -7.117 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.632 -6.293 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.746 -4.188 -9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.802 -5.014 -6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.631 -3.981 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.102 -2.867 -9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.141 -2.771 -8.213 1.00 0.00 H new ATOM 206 N CYS A 14 -2.765 -4.796 -3.182 1.00 0.00 N ATOM 207 CA CYS A 14 -1.602 -4.806 -2.288 1.00 0.00 C ATOM 208 C CYS A 14 -0.525 -3.819 -2.744 1.00 0.00 C ATOM 209 O CYS A 14 -0.120 -3.800 -3.909 1.00 0.00 O ATOM 210 CB CYS A 14 -0.999 -6.213 -2.159 1.00 0.00 C ATOM 211 SG CYS A 14 0.631 -6.236 -1.340 1.00 0.00 S ATOM 0 H CYS A 14 -3.609 -4.416 -2.753 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.963 -4.492 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.688 -6.844 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.903 -6.651 -3.153 1.00 0.00 H new ATOM 216 N ILE A 15 -0.046 -3.009 -1.810 1.00 0.00 N ATOM 217 CA ILE A 15 0.998 -2.041 -2.108 1.00 0.00 C ATOM 218 C ILE A 15 2.366 -2.714 -2.000 1.00 0.00 C ATOM 219 O ILE A 15 3.113 -2.489 -1.043 1.00 0.00 O ATOM 220 CB ILE A 15 0.941 -0.823 -1.159 1.00 0.00 C ATOM 221 CG1 ILE A 15 -0.510 -0.379 -0.946 1.00 0.00 C ATOM 222 CG2 ILE A 15 1.771 0.325 -1.716 1.00 0.00 C ATOM 223 CD1 ILE A 15 -0.716 0.442 0.309 1.00 0.00 C ATOM 0 H ILE A 15 -0.364 -3.004 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 15 0.838 -1.679 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 15 1.359 -1.116 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.833 0.204 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.148 -1.262 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.720 1.175 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.808 0.006 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.380 0.617 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.766 0.720 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.425 -0.145 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.105 1.343 0.259 1.00 0.00 H new ATOM 235 N CYS A 16 2.676 -3.564 -2.972 1.00 0.00 N ATOM 236 CA CYS A 16 3.938 -4.283 -2.985 1.00 0.00 C ATOM 237 C CYS A 16 5.076 -3.354 -3.385 1.00 0.00 C ATOM 238 O CYS A 16 5.099 -2.819 -4.493 1.00 0.00 O ATOM 239 CB CYS A 16 3.866 -5.479 -3.939 1.00 0.00 C ATOM 240 SG CYS A 16 3.757 -7.091 -3.096 1.00 0.00 S ATOM 0 H CYS A 16 2.066 -3.771 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 16 4.131 -4.655 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.999 -5.361 -4.589 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.748 -5.474 -4.579 1.00 0.00 H new ATOM 245 N THR A 17 6.014 -3.172 -2.475 1.00 0.00 N ATOM 246 CA THR A 17 7.161 -2.317 -2.710 1.00 0.00 C ATOM 247 C THR A 17 8.435 -3.107 -2.437 1.00 0.00 C ATOM 248 O THR A 17 8.450 -3.937 -1.532 1.00 0.00 O ATOM 249 CB THR A 17 7.104 -1.065 -1.801 1.00 0.00 C ATOM 250 OG1 THR A 17 6.120 -1.250 -0.770 1.00 0.00 O ATOM 251 CG2 THR A 17 6.760 0.181 -2.606 1.00 0.00 C ATOM 0 H THR A 17 6.002 -3.612 -1.555 1.00 0.00 H new ATOM 0 HA THR A 17 7.152 -1.982 -3.747 1.00 0.00 H new ATOM 0 HB THR A 17 8.088 -0.931 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.384 -2.000 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.727 1.045 -1.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.519 0.341 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.788 0.050 -3.081 1.00 0.00 H new ATOM 259 N ARG A 18 9.488 -2.872 -3.221 1.00 0.00 N ATOM 260 CA ARG A 18 10.750 -3.586 -3.039 1.00 0.00 C ATOM 261 C ARG A 18 11.300 -3.354 -1.632 1.00 0.00 C ATOM 262 O ARG A 18 11.978 -2.361 -1.375 1.00 0.00 O ATOM 263 CB ARG A 18 11.774 -3.135 -4.088 1.00 0.00 C ATOM 264 CG ARG A 18 11.755 -3.971 -5.360 1.00 0.00 C ATOM 265 CD ARG A 18 12.325 -3.204 -6.543 1.00 0.00 C ATOM 266 NE ARG A 18 11.614 -3.508 -7.787 1.00 0.00 N ATOM 267 CZ ARG A 18 12.023 -4.411 -8.682 1.00 0.00 C ATOM 268 NH1 ARG A 18 13.148 -5.091 -8.481 1.00 0.00 N ATOM 269 NH2 ARG A 18 11.306 -4.631 -9.780 1.00 0.00 N ATOM 0 H ARG A 18 9.491 -2.196 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 18 10.563 -4.652 -3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.583 -2.093 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.772 -3.177 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.331 -4.883 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.732 -4.274 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.266 -2.134 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.381 -3.449 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 18 10.752 -2.998 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.702 -4.924 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.457 -5.780 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.444 -4.110 -9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.618 -5.321 -10.463 1.00 0.00 H new TER 283 ARG A 18