USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 hydrogens (2 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 Single : A 1 VAL N :NH3+ -165:sc= -0.108 (180deg=-0.561) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.879 -2.910 -5.301 1.00 0.00 N ATOM 2 CA VAL A 1 6.672 -1.670 -4.509 1.00 0.00 C ATOM 3 C VAL A 1 7.795 -1.485 -3.500 1.00 0.00 C ATOM 4 O VAL A 1 8.385 -2.462 -3.037 1.00 0.00 O ATOM 5 CB VAL A 1 5.327 -1.698 -3.751 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.216 -2.209 -4.654 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.429 -2.534 -2.476 1.00 0.00 C ATOM 0 H1 VAL A 1 6.263 -2.894 -6.139 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.873 -2.967 -5.603 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.646 -3.738 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 1 6.664 -0.839 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 1 5.083 -0.678 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.276 -2.222 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.120 -1.553 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.454 -3.219 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.467 -2.535 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.705 -3.557 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.188 -2.107 -1.821 1.00 0.00 H new ATOM 19 N ARG A 2 8.082 -0.235 -3.148 1.00 0.00 N ATOM 20 CA ARG A 2 9.127 0.043 -2.174 1.00 0.00 C ATOM 21 C ARG A 2 8.829 -0.744 -0.903 1.00 0.00 C ATOM 22 O ARG A 2 9.514 -1.718 -0.592 1.00 0.00 O ATOM 23 CB ARG A 2 9.189 1.545 -1.871 1.00 0.00 C ATOM 24 CG ARG A 2 10.579 2.063 -1.507 1.00 0.00 C ATOM 25 CD ARG A 2 11.169 1.356 -0.293 1.00 0.00 C ATOM 26 NE ARG A 2 11.658 0.016 -0.616 1.00 0.00 N ATOM 27 CZ ARG A 2 12.645 -0.224 -1.477 1.00 0.00 C ATOM 28 NH1 ARG A 2 13.263 0.781 -2.083 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.020 -1.471 -1.728 1.00 0.00 N ATOM 0 H ARG A 2 7.611 0.591 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 2 10.095 -0.259 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.828 2.093 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.507 1.765 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.246 1.932 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.523 3.133 -1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.988 1.952 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.412 1.286 0.488 1.00 0.00 H new ATOM 0 HE ARG A 2 11.218 -0.780 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.983 1.743 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.019 0.592 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.552 -2.248 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.776 -1.653 -2.388 1.00 0.00 H new ATOM 43 N ARG A 3 7.776 -0.336 -0.194 1.00 0.00 N ATOM 44 CA ARG A 3 7.360 -1.027 1.023 1.00 0.00 C ATOM 45 C ARG A 3 6.089 -0.421 1.615 1.00 0.00 C ATOM 46 O ARG A 3 5.837 -0.551 2.814 1.00 0.00 O ATOM 47 CB ARG A 3 8.491 -1.023 2.060 1.00 0.00 C ATOM 48 CG ARG A 3 9.043 0.357 2.396 1.00 0.00 C ATOM 49 CD ARG A 3 8.053 1.195 3.194 1.00 0.00 C ATOM 50 NE ARG A 3 8.660 2.418 3.712 1.00 0.00 N ATOM 51 CZ ARG A 3 8.002 3.323 4.432 1.00 0.00 C ATOM 52 NH1 ARG A 3 6.720 3.144 4.721 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.627 4.409 4.866 1.00 0.00 N ATOM 0 H ARG A 3 7.198 0.467 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 3 7.136 -2.058 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.126 -1.486 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.306 -1.645 1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.966 0.248 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.297 0.879 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.204 1.452 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.665 0.604 4.024 1.00 0.00 H new ATOM 0 HE ARG A 3 9.645 2.588 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.234 2.310 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.220 3.840 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.613 4.551 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.122 5.102 5.418 1.00 0.00 H new ATOM 67 N PHE A 4 5.280 0.232 0.784 1.00 0.00 N ATOM 68 CA PHE A 4 4.047 0.835 1.273 1.00 0.00 C ATOM 69 C PHE A 4 2.995 0.947 0.170 1.00 0.00 C ATOM 70 O PHE A 4 1.812 0.763 0.417 1.00 0.00 O ATOM 71 CB PHE A 4 4.323 2.217 1.880 1.00 0.00 C ATOM 72 CG PHE A 4 4.468 3.317 0.867 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.348 3.873 0.262 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.719 3.791 0.516 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.479 4.880 -0.673 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.856 4.799 -0.419 1.00 0.00 C ATOM 77 CZ PHE A 4 4.735 5.344 -1.014 1.00 0.00 C ATOM 0 H PHE A 4 5.453 0.355 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 4 3.651 0.179 2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.511 2.471 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.234 2.164 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.364 3.514 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.599 3.368 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.601 5.305 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.839 5.160 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.840 6.132 -1.745 1.00 0.00 H new ATOM 87 N ALA A 5 3.425 1.269 -1.040 1.00 0.00 N ATOM 88 CA ALA A 5 2.498 1.425 -2.153 1.00 0.00 C ATOM 89 C ALA A 5 2.093 0.079 -2.758 1.00 0.00 C ATOM 90 O ALA A 5 2.205 -0.142 -3.964 1.00 0.00 O ATOM 91 CB ALA A 5 3.110 2.328 -3.199 1.00 0.00 C ATOM 0 H ALA A 5 4.404 1.427 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 5 1.585 1.883 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.415 2.444 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.317 3.304 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.039 1.888 -3.561 1.00 0.00 H new ATOM 97 N TRP A 6 1.609 -0.798 -1.896 1.00 0.00 N ATOM 98 CA TRP A 6 1.153 -2.135 -2.267 1.00 0.00 C ATOM 99 C TRP A 6 -0.032 -2.489 -1.411 1.00 0.00 C ATOM 100 O TRP A 6 -0.984 -3.130 -1.852 1.00 0.00 O ATOM 101 CB TRP A 6 2.197 -3.191 -1.957 1.00 0.00 C ATOM 102 CG TRP A 6 2.695 -3.069 -0.561 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.311 -2.006 0.005 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.570 -4.045 0.444 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.541 -2.244 1.335 1.00 0.00 N ATOM 106 CE2 TRP A 6 3.101 -3.509 1.627 1.00 0.00 C ATOM 107 CE3 TRP A 6 2.048 -5.320 0.444 1.00 0.00 C ATOM 108 CZ2 TRP A 6 3.113 -4.220 2.817 1.00 0.00 C ATOM 109 CZ3 TRP A 6 2.063 -6.042 1.621 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.589 -5.486 2.798 1.00 0.00 C ATOM 0 H TRP A 6 1.518 -0.602 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 6 0.932 -2.118 -3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.769 -4.182 -2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.031 -3.095 -2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.583 -1.100 -0.516 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.966 -1.592 1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.635 -5.746 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.519 -3.793 3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.665 -7.046 1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.580 -6.068 3.708 1.00 0.00 H new ATOM 121 N TRP A 7 0.082 -2.097 -0.153 1.00 0.00 N ATOM 122 CA TRP A 7 -0.919 -2.369 0.825 1.00 0.00 C ATOM 123 C TRP A 7 -2.106 -1.490 0.628 1.00 0.00 C ATOM 124 O TRP A 7 -3.181 -1.776 1.129 1.00 0.00 O ATOM 125 CB TRP A 7 -0.339 -2.220 2.223 1.00 0.00 C ATOM 126 CG TRP A 7 0.227 -0.867 2.535 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.515 -0.585 2.815 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.473 0.368 2.637 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.671 0.748 3.092 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.458 1.355 2.987 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.795 0.730 2.464 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.098 2.679 3.168 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -2.158 2.028 2.636 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.222 2.998 2.987 1.00 0.00 C ATOM 0 H TRP A 7 0.884 -1.578 0.206 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.255 -3.399 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.119 -2.447 2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.446 -2.965 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.315 -1.311 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.548 1.207 3.336 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.533 -0.011 2.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.826 3.429 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.191 2.313 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.543 4.021 3.119 1.00 0.00 H new ATOM 145 N TRP A 8 -1.914 -0.412 -0.096 1.00 0.00 N ATOM 146 CA TRP A 8 -3.004 0.498 -0.328 1.00 0.00 C ATOM 147 C TRP A 8 -4.157 -0.248 -0.872 1.00 0.00 C ATOM 148 O TRP A 8 -5.268 -0.193 -0.343 1.00 0.00 O ATOM 149 CB TRP A 8 -2.653 1.569 -1.322 1.00 0.00 C ATOM 150 CG TRP A 8 -1.601 2.419 -0.841 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.575 2.015 -0.122 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.486 3.794 -1.032 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.208 3.091 0.215 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.336 4.213 -0.360 1.00 0.00 C ATOM 155 CE3 TRP A 8 -2.259 4.701 -1.706 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.061 5.545 -0.343 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.884 6.010 -1.700 1.00 0.00 C ATOM 158 CH2 TRP A 8 -0.730 6.437 -1.020 1.00 0.00 C ATOM 0 H TRP A 8 -1.028 -0.149 -0.527 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.236 0.966 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.347 1.107 -2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.537 2.170 -1.536 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.379 0.991 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.048 3.062 0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.148 4.385 -2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.951 5.863 0.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.485 6.735 -2.228 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.463 7.483 -1.031 1.00 0.00 H new ATOM 169 N PRO A 9 -3.900 -0.950 -1.973 1.00 0.00 N ATOM 170 CA PRO A 9 -4.903 -1.705 -2.632 1.00 0.00 C ATOM 171 C PRO A 9 -5.843 -2.361 -1.639 1.00 0.00 C ATOM 172 O PRO A 9 -7.062 -2.308 -1.801 1.00 0.00 O ATOM 173 CB PRO A 9 -4.073 -2.703 -3.421 1.00 0.00 C ATOM 174 CG PRO A 9 -2.926 -1.883 -3.874 1.00 0.00 C ATOM 175 CD PRO A 9 -2.602 -1.037 -2.691 1.00 0.00 C ATOM 0 HA PRO A 9 -5.570 -1.119 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.753 -3.542 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.630 -3.120 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.080 -2.505 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.187 -1.275 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.828 -1.490 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.238 -0.053 -2.987 1.00 0.00 H new ATOM 183 N PHE A 10 -5.279 -2.935 -0.580 1.00 0.00 N ATOM 184 CA PHE A 10 -6.116 -3.536 0.454 1.00 0.00 C ATOM 185 C PHE A 10 -6.366 -2.553 1.596 1.00 0.00 C ATOM 186 O PHE A 10 -7.503 -2.167 1.864 1.00 0.00 O ATOM 187 CB PHE A 10 -5.508 -4.807 1.036 1.00 0.00 C ATOM 188 CG PHE A 10 -4.076 -5.072 0.687 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.695 -5.391 -0.606 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.112 -5.032 1.675 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.375 -5.661 -0.902 1.00 0.00 C ATOM 192 CE2 PHE A 10 -1.795 -5.297 1.387 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.421 -5.612 0.095 1.00 0.00 C ATOM 0 H PHE A 10 -4.274 -2.997 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.055 -3.793 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.594 -4.762 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.105 -5.656 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.438 -5.429 -1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.397 -4.789 2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.088 -5.911 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.052 -5.259 2.170 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.386 -5.819 -0.134 1.00 0.00 H new ATOM 203 N LEU A 11 -5.289 -2.180 2.278 1.00 0.00 N ATOM 204 CA LEU A 11 -5.353 -1.269 3.416 1.00 0.00 C ATOM 205 C LEU A 11 -6.147 0.003 3.136 1.00 0.00 C ATOM 206 O LEU A 11 -7.258 0.178 3.637 1.00 0.00 O ATOM 207 CB LEU A 11 -3.960 -0.867 3.861 1.00 0.00 C ATOM 208 CG LEU A 11 -3.042 -1.976 4.380 1.00 0.00 C ATOM 209 CD1 LEU A 11 -1.806 -1.338 4.969 1.00 0.00 C ATOM 210 CD2 LEU A 11 -3.749 -2.846 5.411 1.00 0.00 C ATOM 0 H LEU A 11 -4.346 -2.501 2.058 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.869 -1.824 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.463 -0.384 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.060 -0.117 4.646 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.763 -2.630 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.139 -2.114 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.293 -0.760 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.092 -0.678 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.069 -3.623 5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.059 -2.230 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.626 -3.308 4.957 1.00 0.00 H new ATOM 222 N ARG A 12 -5.541 0.910 2.377 1.00 0.00 N ATOM 223 CA ARG A 12 -6.150 2.200 2.070 1.00 0.00 C ATOM 224 C ARG A 12 -7.566 2.056 1.504 1.00 0.00 C ATOM 225 O ARG A 12 -8.470 2.796 1.892 1.00 0.00 O ATOM 226 CB ARG A 12 -5.252 2.984 1.101 1.00 0.00 C ATOM 227 CG ARG A 12 -5.558 2.746 -0.367 1.00 0.00 C ATOM 228 CD ARG A 12 -5.530 4.040 -1.154 1.00 0.00 C ATOM 229 NE ARG A 12 -6.587 4.960 -0.738 1.00 0.00 N ATOM 230 CZ ARG A 12 -6.748 6.179 -1.246 1.00 0.00 C ATOM 231 NH1 ARG A 12 -5.914 6.629 -2.175 1.00 0.00 N ATOM 232 NH2 ARG A 12 -7.741 6.949 -0.824 1.00 0.00 N ATOM 0 H ARG A 12 -4.620 0.774 1.960 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.242 2.753 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.352 4.049 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.212 2.717 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.831 2.049 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.538 2.280 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.560 4.521 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.639 3.820 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.238 4.650 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.148 6.040 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.039 7.564 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.383 6.607 -0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.863 7.883 -1.214 1.00 0.00 H new ATOM 246 N ARG A 13 -7.755 1.115 0.584 1.00 0.00 N ATOM 247 CA ARG A 13 -9.063 0.901 -0.027 1.00 0.00 C ATOM 248 C ARG A 13 -10.051 0.328 0.983 1.00 0.00 C ATOM 249 O ARG A 13 -11.085 0.985 1.230 1.00 0.00 O ATOM 250 CB ARG A 13 -8.939 -0.030 -1.234 1.00 0.00 C ATOM 251 CG ARG A 13 -10.252 -0.263 -1.964 1.00 0.00 C ATOM 252 CD ARG A 13 -10.052 -1.111 -3.209 1.00 0.00 C ATOM 253 NE ARG A 13 -9.157 -0.471 -4.171 1.00 0.00 N ATOM 254 CZ ARG A 13 -9.422 0.685 -4.775 1.00 0.00 C ATOM 255 NH1 ARG A 13 -10.559 1.324 -4.533 1.00 0.00 N ATOM 256 NH2 ARG A 13 -8.548 1.202 -5.628 1.00 0.00 N ATOM 0 H ARG A 13 -7.023 0.491 0.246 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.442 1.866 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.215 0.390 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.543 -0.990 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.959 -0.756 -1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.691 0.695 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.644 -2.081 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.017 -1.296 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.278 -0.938 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.237 0.930 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.756 2.210 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.673 0.714 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.750 2.088 -6.091 1.00 0.00 H new HETATM 270 N NH2 A 14 -9.965 -0.952 1.319 1.00 0.00 N TER 273 NH2 A 14