USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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+ 129:sc= 0.055 (180deg=-0.0696) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.211 5.759 -1.756 1.00 0.00 N ATOM 2 CA VAL A 1 5.766 4.897 -0.682 1.00 0.00 C ATOM 3 C VAL A 1 6.323 3.597 -1.258 1.00 0.00 C ATOM 4 O VAL A 1 5.909 3.157 -2.330 1.00 0.00 O ATOM 5 CB VAL A 1 4.701 4.572 0.385 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.593 3.704 -0.195 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.342 3.906 1.593 1.00 0.00 C ATOM 0 H1 VAL A 1 4.248 6.055 -1.500 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.812 6.599 -1.872 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.184 5.227 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 1 6.575 5.454 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 1 4.250 5.509 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.856 3.490 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.112 4.231 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.017 2.769 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.575 3.684 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.826 2.980 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.084 4.576 2.027 1.00 0.00 H new ATOM 19 N ARG A 2 7.276 3.000 -0.546 1.00 0.00 N ATOM 20 CA ARG A 2 7.910 1.758 -0.984 1.00 0.00 C ATOM 21 C ARG A 2 6.900 0.612 -1.114 1.00 0.00 C ATOM 22 O ARG A 2 6.009 0.655 -1.961 1.00 0.00 O ATOM 23 CB ARG A 2 9.037 1.375 -0.019 1.00 0.00 C ATOM 24 CG ARG A 2 10.142 2.419 0.093 1.00 0.00 C ATOM 25 CD ARG A 2 10.848 2.653 -1.238 1.00 0.00 C ATOM 26 NE ARG A 2 10.001 3.355 -2.200 1.00 0.00 N ATOM 27 CZ ARG A 2 10.373 3.636 -3.445 1.00 0.00 C ATOM 28 NH1 ARG A 2 11.571 3.269 -3.882 1.00 0.00 N ATOM 29 NH2 ARG A 2 9.546 4.282 -4.255 1.00 0.00 N ATOM 0 H ARG A 2 7.628 3.358 0.342 1.00 0.00 H new ATOM 0 HA ARG A 2 8.329 1.931 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.612 1.204 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.475 0.432 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.718 3.358 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.870 2.097 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.757 3.231 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.154 1.695 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 2 9.071 3.646 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.209 2.770 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.854 3.486 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.624 4.564 -3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.832 4.497 -5.210 1.00 0.00 H new ATOM 43 N ARG A 3 7.057 -0.424 -0.289 1.00 0.00 N ATOM 44 CA ARG A 3 6.172 -1.587 -0.332 1.00 0.00 C ATOM 45 C ARG A 3 4.707 -1.188 -0.180 1.00 0.00 C ATOM 46 O ARG A 3 3.842 -1.698 -0.884 1.00 0.00 O ATOM 47 CB ARG A 3 6.542 -2.594 0.763 1.00 0.00 C ATOM 48 CG ARG A 3 7.903 -3.255 0.579 1.00 0.00 C ATOM 49 CD ARG A 3 9.047 -2.280 0.813 1.00 0.00 C ATOM 50 NE ARG A 3 10.350 -2.932 0.720 1.00 0.00 N ATOM 51 CZ ARG A 3 11.506 -2.293 0.877 1.00 0.00 C ATOM 52 NH1 ARG A 3 11.520 -0.990 1.121 1.00 0.00 N ATOM 53 NH2 ARG A 3 12.650 -2.958 0.789 1.00 0.00 N ATOM 0 H ARG A 3 7.790 -0.481 0.418 1.00 0.00 H new ATOM 0 HA ARG A 3 6.303 -2.051 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.526 -2.086 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.777 -3.370 0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.995 -4.094 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.975 -3.663 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.992 -1.474 0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.939 -1.824 1.797 1.00 0.00 H new ATOM 0 HE ARG A 3 10.375 -3.933 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.643 -0.474 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.408 -0.503 1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.644 -3.960 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.536 -2.467 0.910 1.00 0.00 H new ATOM 67 N PHE A 4 4.434 -0.286 0.749 1.00 0.00 N ATOM 68 CA PHE A 4 3.068 0.170 1.003 1.00 0.00 C ATOM 69 C PHE A 4 2.337 0.507 -0.283 1.00 0.00 C ATOM 70 O PHE A 4 1.116 0.428 -0.359 1.00 0.00 O ATOM 71 CB PHE A 4 3.090 1.377 1.933 1.00 0.00 C ATOM 72 CG PHE A 4 3.627 1.056 3.295 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.889 -0.256 3.652 1.00 0.00 C ATOM 74 CD2 PHE A 4 3.876 2.058 4.213 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.389 -0.565 4.893 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.381 1.758 5.462 1.00 0.00 C ATOM 77 CZ PHE A 4 4.640 0.443 5.805 1.00 0.00 C ATOM 0 H PHE A 4 5.140 0.149 1.344 1.00 0.00 H new ATOM 0 HA PHE A 4 2.526 -0.646 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.697 2.163 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.079 1.772 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.697 -1.048 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.674 3.086 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.586 -1.594 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.574 2.549 6.171 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.037 0.205 6.781 1.00 0.00 H new ATOM 87 N ALA A 5 3.086 0.893 -1.288 1.00 0.00 N ATOM 88 CA ALA A 5 2.506 1.257 -2.562 1.00 0.00 C ATOM 89 C ALA A 5 1.603 0.159 -3.131 1.00 0.00 C ATOM 90 O ALA A 5 0.532 0.451 -3.664 1.00 0.00 O ATOM 91 CB ALA A 5 3.612 1.600 -3.535 1.00 0.00 C ATOM 0 H ALA A 5 4.103 0.964 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 5 1.869 2.128 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.178 1.875 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.192 2.437 -3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.264 0.736 -3.665 1.00 0.00 H new ATOM 97 N TRP A 6 2.036 -1.099 -3.037 1.00 0.00 N ATOM 98 CA TRP A 6 1.245 -2.207 -3.573 1.00 0.00 C ATOM 99 C TRP A 6 0.189 -2.719 -2.591 1.00 0.00 C ATOM 100 O TRP A 6 -0.337 -3.816 -2.785 1.00 0.00 O ATOM 101 CB TRP A 6 2.151 -3.370 -4.004 1.00 0.00 C ATOM 102 CG TRP A 6 3.111 -3.790 -2.944 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.437 -3.517 -2.915 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.823 -4.536 -1.753 1.00 0.00 C ATOM 105 NE1 TRP A 6 4.996 -4.033 -1.779 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.026 -4.665 -1.043 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.668 -5.098 -1.215 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.100 -5.331 0.186 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.735 -5.744 0.008 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.936 -5.851 0.696 1.00 0.00 C ATOM 0 H TRP A 6 2.917 -1.374 -2.602 1.00 0.00 H new ATOM 0 HA TRP A 6 0.720 -1.808 -4.441 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.530 -4.222 -4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.708 -3.078 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.974 -2.972 -3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 6 5.980 -3.960 -1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.730 -5.031 -1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.037 -5.432 0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.839 -6.171 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.955 -6.353 1.652 1.00 0.00 H new ATOM 121 N TRP A 7 -0.133 -1.957 -1.536 1.00 0.00 N ATOM 122 CA TRP A 7 -1.127 -2.442 -0.573 1.00 0.00 C ATOM 123 C TRP A 7 -1.626 -1.403 0.411 1.00 0.00 C ATOM 124 O TRP A 7 -2.817 -1.349 0.699 1.00 0.00 O ATOM 125 CB TRP A 7 -0.551 -3.587 0.195 1.00 0.00 C ATOM 126 CG TRP A 7 0.479 -3.149 1.151 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.780 -2.827 0.920 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.253 -2.969 2.509 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.386 -2.498 2.097 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.453 -2.566 3.087 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.866 -3.123 3.287 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.562 -2.314 4.426 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.771 -2.871 4.610 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.438 -2.466 5.186 1.00 0.00 C ATOM 0 H TRP A 7 0.263 -1.039 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.991 -2.736 -1.169 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.348 -4.101 0.732 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.118 -4.308 -0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.260 -2.831 -0.047 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.367 -2.245 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.802 -3.439 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.500 -2.007 4.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.644 -2.984 5.235 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.483 -2.271 6.247 1.00 0.00 H new ATOM 145 N TRP A 8 -0.745 -0.596 0.956 1.00 0.00 N ATOM 146 CA TRP A 8 -1.184 0.405 1.898 1.00 0.00 C ATOM 147 C TRP A 8 -2.348 1.132 1.254 1.00 0.00 C ATOM 148 O TRP A 8 -3.316 1.519 1.910 1.00 0.00 O ATOM 149 CB TRP A 8 -0.047 1.351 2.221 1.00 0.00 C ATOM 150 CG TRP A 8 -0.171 2.684 1.572 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.408 3.098 0.414 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.923 3.778 2.066 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.070 4.406 0.163 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.751 4.845 1.170 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.723 3.947 3.190 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -1.355 6.079 1.368 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -2.326 5.174 3.390 1.00 0.00 C ATOM 158 CH2 TRP A 8 -2.136 6.227 2.480 1.00 0.00 C ATOM 0 H TRP A 8 0.258 -0.611 0.769 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.498 -0.043 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.004 1.487 3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.893 0.893 1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.040 2.489 -0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.378 4.958 -0.638 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.870 3.138 3.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.213 6.891 0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.952 5.325 4.257 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.618 7.176 2.663 1.00 0.00 H new ATOM 169 N ALA A 9 -2.247 1.252 -0.067 1.00 0.00 N ATOM 170 CA ALA A 9 -3.283 1.861 -0.863 1.00 0.00 C ATOM 171 C ALA A 9 -4.441 0.868 -0.985 1.00 0.00 C ATOM 172 O ALA A 9 -5.613 1.228 -0.894 1.00 0.00 O ATOM 173 CB ALA A 9 -2.739 2.245 -2.229 1.00 0.00 C ATOM 0 H ALA A 9 -1.443 0.928 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.640 2.774 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.531 2.704 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.920 2.954 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.375 1.353 -2.740 1.00 0.00 H new ATOM 179 N PHE A 10 -4.066 -0.404 -1.142 1.00 0.00 N ATOM 180 CA PHE A 10 -5.010 -1.523 -1.221 1.00 0.00 C ATOM 181 C PHE A 10 -6.008 -1.425 -0.064 1.00 0.00 C ATOM 182 O PHE A 10 -7.158 -1.849 -0.173 1.00 0.00 O ATOM 183 CB PHE A 10 -4.187 -2.841 -1.176 1.00 0.00 C ATOM 184 CG PHE A 10 -4.872 -4.083 -0.663 1.00 0.00 C ATOM 185 CD1 PHE A 10 -6.194 -4.368 -0.971 1.00 0.00 C ATOM 186 CD2 PHE A 10 -4.160 -4.986 0.130 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.798 -5.518 -0.499 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.764 -6.135 0.602 1.00 0.00 C ATOM 189 CZ PHE A 10 -6.084 -6.401 0.289 1.00 0.00 C ATOM 0 H PHE A 10 -3.090 -0.689 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.586 -1.500 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.831 -3.048 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.307 -2.665 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.758 -3.683 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.128 -4.784 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.828 -5.727 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.205 -6.826 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.557 -7.298 0.660 1.00 0.00 H new ATOM 199 N LEU A 11 -5.549 -0.844 1.043 1.00 0.00 N ATOM 200 CA LEU A 11 -6.379 -0.668 2.230 1.00 0.00 C ATOM 201 C LEU A 11 -7.286 0.556 2.111 1.00 0.00 C ATOM 202 O LEU A 11 -8.501 0.460 2.284 1.00 0.00 O ATOM 203 CB LEU A 11 -5.489 -0.494 3.459 1.00 0.00 C ATOM 204 CG LEU A 11 -4.370 -1.519 3.605 1.00 0.00 C ATOM 205 CD1 LEU A 11 -3.369 -1.050 4.646 1.00 0.00 C ATOM 206 CD2 LEU A 11 -4.935 -2.880 3.981 1.00 0.00 C ATOM 0 H LEU A 11 -4.599 -0.485 1.141 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.003 -1.556 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.046 0.501 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.116 -0.536 4.350 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.859 -1.618 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.573 -1.788 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.943 -0.096 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.872 -0.929 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.120 -3.597 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.469 -2.803 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.622 -3.216 3.204 1.00 0.00 H new ATOM 218 N ARG A 12 -6.677 1.712 1.847 1.00 0.00 N ATOM 219 CA ARG A 12 -7.418 2.967 1.740 1.00 0.00 C ATOM 220 C ARG A 12 -8.562 2.862 0.734 1.00 0.00 C ATOM 221 O ARG A 12 -9.658 3.367 0.976 1.00 0.00 O ATOM 222 CB ARG A 12 -6.482 4.118 1.354 1.00 0.00 C ATOM 223 CG ARG A 12 -5.876 3.983 -0.032 1.00 0.00 C ATOM 224 CD ARG A 12 -5.012 5.184 -0.384 1.00 0.00 C ATOM 225 NE ARG A 12 -4.456 5.085 -1.732 1.00 0.00 N ATOM 226 CZ ARG A 12 -5.195 5.065 -2.840 1.00 0.00 C ATOM 227 NH1 ARG A 12 -6.517 5.154 -2.767 1.00 0.00 N ATOM 228 NH2 ARG A 12 -4.609 4.962 -4.025 1.00 0.00 N ATOM 0 H ARG A 12 -5.671 1.804 1.703 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.849 3.174 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.035 5.056 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.677 4.180 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.275 3.075 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.672 3.878 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.607 6.094 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.199 5.269 0.337 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.442 5.028 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.973 5.238 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.077 5.138 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.593 4.898 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.174 4.947 -4.874 1.00 0.00 H new ATOM 242 N ARG A 13 -8.300 2.210 -0.395 1.00 0.00 N ATOM 243 CA ARG A 13 -9.308 2.048 -1.438 1.00 0.00 C ATOM 244 C ARG A 13 -10.534 1.315 -0.901 1.00 0.00 C ATOM 245 O ARG A 13 -11.553 1.988 -0.641 1.00 0.00 O ATOM 246 CB ARG A 13 -8.721 1.284 -2.628 1.00 0.00 C ATOM 247 CG ARG A 13 -8.419 -0.175 -2.326 1.00 0.00 C ATOM 248 CD ARG A 13 -7.707 -0.848 -3.488 1.00 0.00 C ATOM 249 NE ARG A 13 -7.602 -2.294 -3.305 1.00 0.00 N ATOM 250 CZ ARG A 13 -7.020 -3.107 -4.182 1.00 0.00 C ATOM 251 NH1 ARG A 13 -6.473 -2.616 -5.287 1.00 0.00 N ATOM 252 NH2 ARG A 13 -6.981 -4.413 -3.954 1.00 0.00 N ATOM 0 H ARG A 13 -7.398 1.785 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.617 3.040 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.420 1.336 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.803 1.777 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.801 -0.242 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.348 -0.703 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.245 -0.638 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.709 -0.423 -3.596 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.997 -2.702 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.498 -1.612 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.027 -3.243 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.398 -4.795 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.534 -5.035 -4.628 1.00 0.00 H new HETATM 266 N NH2 A 14 -10.390 0.460 0.105 1.00 0.00 N TER 269 NH2 A 14