USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 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+ -164:sc= -0.0356 (180deg=-0.372) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.220 -4.925 1.972 1.00 0.00 N ATOM 2 CA VAL A 1 11.527 -3.674 2.372 1.00 0.00 C ATOM 3 C VAL A 1 11.143 -2.839 1.157 1.00 0.00 C ATOM 4 O VAL A 1 11.861 -2.814 0.157 1.00 0.00 O ATOM 5 CB VAL A 1 12.402 -2.814 3.303 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.688 -1.516 3.655 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.766 -3.591 4.560 1.00 0.00 C ATOM 0 H1 VAL A 1 12.227 -5.589 2.772 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.721 -5.357 1.168 1.00 0.00 H new ATOM 0 H3 VAL A 1 13.198 -4.707 1.695 1.00 0.00 H new ATOM 0 HA VAL A 1 10.626 -3.978 2.904 1.00 0.00 H new ATOM 0 HB VAL A 1 13.325 -2.564 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.320 -0.920 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.483 -0.955 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.749 -1.743 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.384 -2.968 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.856 -3.873 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.319 -4.489 4.285 1.00 0.00 H new ATOM 19 N ARG A 2 10.007 -2.154 1.261 1.00 0.00 N ATOM 20 CA ARG A 2 9.508 -1.305 0.185 1.00 0.00 C ATOM 21 C ARG A 2 9.169 -2.124 -1.055 1.00 0.00 C ATOM 22 O ARG A 2 10.000 -2.868 -1.575 1.00 0.00 O ATOM 23 CB ARG A 2 10.532 -0.221 -0.165 1.00 0.00 C ATOM 24 CG ARG A 2 10.749 0.801 0.942 1.00 0.00 C ATOM 25 CD ARG A 2 9.483 1.598 1.223 1.00 0.00 C ATOM 26 NE ARG A 2 9.701 2.654 2.210 1.00 0.00 N ATOM 27 CZ ARG A 2 10.032 2.428 3.479 1.00 0.00 C ATOM 28 NH1 ARG A 2 10.168 1.187 3.925 1.00 0.00 N ATOM 29 NH2 ARG A 2 10.222 3.448 4.305 1.00 0.00 N ATOM 0 H ARG A 2 9.411 -2.172 2.088 1.00 0.00 H new ATOM 0 HA ARG A 2 8.594 -0.828 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.484 -0.696 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.204 0.298 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.069 0.292 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.552 1.481 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.121 2.040 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.704 0.925 1.580 1.00 0.00 H new ATOM 0 HE ARG A 2 9.593 3.622 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.019 0.399 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.422 1.020 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.114 4.404 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.476 3.276 5.278 1.00 0.00 H new ATOM 43 N ARG A 3 7.939 -1.963 -1.527 1.00 0.00 N ATOM 44 CA ARG A 3 7.458 -2.660 -2.706 1.00 0.00 C ATOM 45 C ARG A 3 6.060 -2.194 -2.970 1.00 0.00 C ATOM 46 O ARG A 3 5.268 -2.852 -3.646 1.00 0.00 O ATOM 47 CB ARG A 3 7.494 -4.176 -2.511 1.00 0.00 C ATOM 48 CG ARG A 3 6.573 -4.652 -1.407 1.00 0.00 C ATOM 49 CD ARG A 3 6.758 -6.133 -1.116 1.00 0.00 C ATOM 50 NE ARG A 3 5.790 -6.628 -0.138 1.00 0.00 N ATOM 51 CZ ARG A 3 5.696 -6.176 1.110 1.00 0.00 C ATOM 52 NH1 ARG A 3 6.518 -5.229 1.545 1.00 0.00 N ATOM 53 NH2 ARG A 3 4.779 -6.675 1.927 1.00 0.00 N ATOM 0 H ARG A 3 7.249 -1.344 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 3 8.103 -2.437 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.215 -4.664 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.515 -4.483 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.764 -4.077 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.538 -4.464 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.658 -6.699 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.768 -6.305 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 3 5.148 -7.365 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.227 -4.843 0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.441 -4.887 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.146 -7.405 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.706 -6.329 2.884 1.00 0.00 H new ATOM 67 N PHE A 4 5.778 -1.031 -2.419 1.00 0.00 N ATOM 68 CA PHE A 4 4.493 -0.423 -2.564 1.00 0.00 C ATOM 69 C PHE A 4 4.531 1.023 -2.125 1.00 0.00 C ATOM 70 O PHE A 4 5.451 1.462 -1.434 1.00 0.00 O ATOM 71 CB PHE A 4 3.443 -1.151 -1.740 1.00 0.00 C ATOM 72 CG PHE A 4 3.687 -1.128 -0.258 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.663 -1.926 0.311 1.00 0.00 C ATOM 74 CD2 PHE A 4 2.938 -0.294 0.565 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.892 -1.899 1.674 1.00 0.00 C ATOM 76 CE2 PHE A 4 3.164 -0.263 1.928 1.00 0.00 C ATOM 77 CZ PHE A 4 4.142 -1.067 2.484 1.00 0.00 C ATOM 0 H PHE A 4 6.439 -0.490 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 4 4.229 -0.482 -3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.469 -0.706 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.395 -2.188 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.253 -2.578 -0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.173 0.335 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.657 -2.528 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.577 0.389 2.558 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.320 -1.045 3.549 1.00 0.00 H new ATOM 87 N PRO A 5 3.501 1.765 -2.502 1.00 0.00 N ATOM 88 CA PRO A 5 3.354 3.171 -2.140 1.00 0.00 C ATOM 89 C PRO A 5 3.273 3.366 -0.624 1.00 0.00 C ATOM 90 O PRO A 5 4.227 3.821 0.006 1.00 0.00 O ATOM 91 CB PRO A 5 2.015 3.545 -2.784 1.00 0.00 C ATOM 92 CG PRO A 5 1.775 2.519 -3.827 1.00 0.00 C ATOM 93 CD PRO A 5 2.363 1.278 -3.290 1.00 0.00 C ATOM 0 HA PRO A 5 4.199 3.776 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.213 3.549 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.054 4.544 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.710 2.398 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.242 2.800 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.652 0.728 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.682 0.605 -4.086 1.00 0.00 H new ATOM 101 N TRP A 6 2.112 2.996 -0.073 1.00 0.00 N ATOM 102 CA TRP A 6 1.805 3.085 1.364 1.00 0.00 C ATOM 103 C TRP A 6 0.300 3.225 1.543 1.00 0.00 C ATOM 104 O TRP A 6 -0.294 2.687 2.478 1.00 0.00 O ATOM 105 CB TRP A 6 2.509 4.252 2.045 1.00 0.00 C ATOM 106 CG TRP A 6 2.015 5.577 1.596 1.00 0.00 C ATOM 107 CD1 TRP A 6 2.604 6.385 0.687 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.836 6.254 2.042 1.00 0.00 C ATOM 109 NE1 TRP A 6 1.866 7.519 0.523 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.775 7.470 1.349 1.00 0.00 C ATOM 111 CE3 TRP A 6 -0.174 5.943 2.957 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -0.256 8.387 1.541 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -1.198 6.851 3.148 1.00 0.00 C ATOM 114 CH2 TRP A 6 -1.232 8.062 2.444 1.00 0.00 C ATOM 0 H TRP A 6 1.341 2.618 -0.623 1.00 0.00 H new ATOM 0 HA TRP A 6 2.169 2.172 1.835 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.376 4.169 3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.579 4.186 1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.524 6.165 0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 6 2.091 8.283 -0.114 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.154 5.012 3.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.284 9.320 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.985 6.623 3.852 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.044 8.752 2.617 1.00 0.00 H new ATOM 125 N TRP A 7 -0.293 3.964 0.615 1.00 0.00 N ATOM 126 CA TRP A 7 -1.727 4.221 0.584 1.00 0.00 C ATOM 127 C TRP A 7 -2.423 3.106 -0.138 1.00 0.00 C ATOM 128 O TRP A 7 -3.650 3.023 -0.172 1.00 0.00 O ATOM 129 CB TRP A 7 -1.997 5.486 -0.213 1.00 0.00 C ATOM 130 CG TRP A 7 -1.271 5.440 -1.517 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.100 6.039 -1.770 1.00 0.00 C ATOM 132 CD2 TRP A 7 -1.609 4.710 -2.711 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.314 5.768 -3.036 1.00 0.00 N ATOM 134 CE2 TRP A 7 -0.592 4.959 -3.642 1.00 0.00 C ATOM 135 CE3 TRP A 7 -2.659 3.885 -3.092 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.586 4.412 -4.921 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.640 3.332 -4.357 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.618 3.593 -5.253 1.00 0.00 C ATOM 0 H TRP A 7 0.216 4.409 -0.149 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.084 4.312 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.068 5.592 -0.388 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.679 6.359 0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.441 6.653 -1.065 1.00 0.00 H new ATOM 0 HE1 TRP A 7 1.171 6.118 -3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.474 3.680 -2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.207 4.629 -5.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.445 2.677 -4.656 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.641 3.138 -6.232 1.00 0.00 H new ATOM 149 N TRP A 8 -1.619 2.316 -0.817 1.00 0.00 N ATOM 150 CA TRP A 8 -2.132 1.277 -1.650 1.00 0.00 C ATOM 151 C TRP A 8 -2.590 0.005 -0.899 1.00 0.00 C ATOM 152 O TRP A 8 -3.522 -0.663 -1.340 1.00 0.00 O ATOM 153 CB TRP A 8 -1.105 0.969 -2.696 1.00 0.00 C ATOM 154 CG TRP A 8 -0.445 -0.255 -2.353 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.494 -0.407 -1.445 1.00 0.00 C ATOM 156 CD2 TRP A 8 -0.764 -1.499 -2.858 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.830 -1.725 -1.358 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.052 -2.428 -2.245 1.00 0.00 C ATOM 159 CE3 TRP A 8 -1.669 -1.875 -3.791 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.025 -3.776 -2.553 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -1.771 -3.207 -4.122 1.00 0.00 C ATOM 162 CH2 TRP A 8 -0.947 -4.151 -3.499 1.00 0.00 C ATOM 0 H TRP A 8 -0.601 2.384 -0.800 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.051 1.645 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.578 0.881 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.381 1.781 -2.764 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.931 0.388 -0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.538 -2.121 -0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.301 -1.141 -4.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.613 -4.501 -2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.489 -3.524 -4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.038 -5.193 -3.767 1.00 0.00 H new ATOM 173 N PRO A 9 -1.993 -0.330 0.261 1.00 0.00 N ATOM 174 CA PRO A 9 -2.404 -1.473 1.055 1.00 0.00 C ATOM 175 C PRO A 9 -3.475 -0.967 1.967 1.00 0.00 C ATOM 176 O PRO A 9 -3.537 -1.268 3.159 1.00 0.00 O ATOM 177 CB PRO A 9 -1.142 -1.828 1.834 1.00 0.00 C ATOM 178 CG PRO A 9 -0.390 -0.538 1.969 1.00 0.00 C ATOM 179 CD PRO A 9 -0.946 0.424 0.941 1.00 0.00 C ATOM 0 HA PRO A 9 -2.784 -2.333 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.386 -2.246 2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.550 -2.576 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.503 -0.132 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.676 -0.697 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.346 1.321 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.174 0.748 0.243 1.00 0.00 H new ATOM 187 N PHE A 10 -4.238 -0.080 1.370 1.00 0.00 N ATOM 188 CA PHE A 10 -5.255 0.654 2.042 1.00 0.00 C ATOM 189 C PHE A 10 -6.469 0.848 1.133 1.00 0.00 C ATOM 190 O PHE A 10 -7.609 0.682 1.565 1.00 0.00 O ATOM 191 CB PHE A 10 -4.593 1.980 2.386 1.00 0.00 C ATOM 192 CG PHE A 10 -5.463 2.967 3.089 1.00 0.00 C ATOM 193 CD1 PHE A 10 -6.207 2.609 4.197 1.00 0.00 C ATOM 194 CD2 PHE A 10 -5.524 4.266 2.629 1.00 0.00 C ATOM 195 CE1 PHE A 10 -7.005 3.540 4.835 1.00 0.00 C ATOM 196 CE2 PHE A 10 -6.313 5.199 3.255 1.00 0.00 C ATOM 197 CZ PHE A 10 -7.058 4.840 4.362 1.00 0.00 C ATOM 0 H PHE A 10 -4.157 0.148 0.379 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.631 0.145 2.929 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.722 1.780 3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.228 2.434 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.165 1.595 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.943 4.553 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.585 3.254 5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.351 6.212 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.680 5.571 4.857 1.00 0.00 H new ATOM 207 N LEU A 11 -6.217 1.191 -0.135 1.00 0.00 N ATOM 208 CA LEU A 11 -7.304 1.390 -1.093 1.00 0.00 C ATOM 209 C LEU A 11 -7.815 0.045 -1.606 1.00 0.00 C ATOM 210 O LEU A 11 -9.018 -0.139 -1.798 1.00 0.00 O ATOM 211 CB LEU A 11 -6.870 2.284 -2.270 1.00 0.00 C ATOM 212 CG LEU A 11 -6.179 1.588 -3.445 1.00 0.00 C ATOM 213 CD1 LEU A 11 -6.107 2.519 -4.645 1.00 0.00 C ATOM 214 CD2 LEU A 11 -4.793 1.161 -3.036 1.00 0.00 C ATOM 0 H LEU A 11 -5.282 1.335 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.113 1.901 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.753 2.798 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.197 3.050 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.758 0.708 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.613 2.009 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.115 2.804 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.541 3.412 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.303 0.666 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.214 2.037 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.858 0.471 -2.195 1.00 0.00 H new ATOM 226 N ARG A 12 -6.894 -0.892 -1.824 1.00 0.00 N ATOM 227 CA ARG A 12 -7.253 -2.221 -2.312 1.00 0.00 C ATOM 228 C ARG A 12 -8.095 -2.975 -1.286 1.00 0.00 C ATOM 229 O ARG A 12 -9.160 -3.502 -1.607 1.00 0.00 O ATOM 230 CB ARG A 12 -5.995 -3.035 -2.643 1.00 0.00 C ATOM 231 CG ARG A 12 -5.057 -3.233 -1.459 1.00 0.00 C ATOM 232 CD ARG A 12 -4.089 -4.380 -1.697 1.00 0.00 C ATOM 233 NE ARG A 12 -4.783 -5.635 -1.975 1.00 0.00 N ATOM 234 CZ ARG A 12 -4.161 -6.780 -2.242 1.00 0.00 C ATOM 235 NH1 ARG A 12 -2.836 -6.829 -2.268 1.00 0.00 N ATOM 236 NH2 ARG A 12 -4.865 -7.877 -2.485 1.00 0.00 N ATOM 0 H ARG A 12 -5.895 -0.755 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.843 -2.090 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.296 -4.011 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.451 -2.535 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.497 -2.315 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.641 -3.430 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.435 -4.135 -2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.452 -4.504 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.803 -5.633 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.291 -5.987 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.362 -7.709 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.884 -7.843 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.387 -8.755 -2.690 1.00 0.00 H new ATOM 250 N ARG A 13 -7.602 -3.029 -0.053 1.00 0.00 N ATOM 251 CA ARG A 13 -8.290 -3.722 1.025 1.00 0.00 C ATOM 252 C ARG A 13 -9.376 -2.844 1.638 1.00 0.00 C ATOM 253 O ARG A 13 -10.537 -3.300 1.697 1.00 0.00 O ATOM 254 CB ARG A 13 -7.277 -4.143 2.092 1.00 0.00 C ATOM 255 CG ARG A 13 -7.897 -4.816 3.301 1.00 0.00 C ATOM 256 CD ARG A 13 -8.662 -6.074 2.917 1.00 0.00 C ATOM 257 NE ARG A 13 -9.272 -6.724 4.075 1.00 0.00 N ATOM 258 CZ ARG A 13 -10.216 -6.163 4.828 1.00 0.00 C ATOM 259 NH1 ARG A 13 -10.672 -4.952 4.538 1.00 0.00 N ATOM 260 NH2 ARG A 13 -10.711 -6.818 5.870 1.00 0.00 N ATOM 0 H ARG A 13 -6.721 -2.596 0.224 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.773 -4.609 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.553 -4.822 1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.726 -3.263 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.115 -5.070 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.571 -4.119 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.438 -5.819 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.985 -6.773 2.425 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.956 -7.662 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.300 -4.446 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.395 -4.527 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.368 -7.752 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.434 -6.388 6.446 1.00 0.00 H new HETATM 274 N NH2 A 14 -9.181 -1.534 1.718 1.00 0.00 N TER 277 NH2 A 14