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+ 168:sc= -0.082 (180deg=-0.508) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.974 -3.306 -5.481 1.00 0.00 N ATOM 2 CA VAL A 1 6.552 -2.817 -4.143 1.00 0.00 C ATOM 3 C VAL A 1 7.691 -2.896 -3.136 1.00 0.00 C ATOM 4 O VAL A 1 8.208 -3.977 -2.853 1.00 0.00 O ATOM 5 CB VAL A 1 5.355 -3.633 -3.602 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.619 -5.125 -3.743 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.065 -3.281 -2.145 1.00 0.00 C ATOM 0 H1 VAL A 1 6.137 -3.431 -6.085 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.615 -2.613 -5.918 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.466 -4.216 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 1 6.256 -1.776 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 1 4.477 -3.376 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.766 -5.683 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.768 -5.370 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.512 -5.391 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.219 -3.869 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.942 -3.502 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.827 -2.220 -2.067 1.00 0.00 H new ATOM 19 N ARG A 2 8.061 -1.751 -2.573 1.00 0.00 N ATOM 20 CA ARG A 2 9.115 -1.716 -1.572 1.00 0.00 C ATOM 21 C ARG A 2 8.600 -2.363 -0.298 1.00 0.00 C ATOM 22 O ARG A 2 9.053 -3.439 0.094 1.00 0.00 O ATOM 23 CB ARG A 2 9.554 -0.278 -1.292 1.00 0.00 C ATOM 24 CG ARG A 2 10.094 0.448 -2.513 1.00 0.00 C ATOM 25 CD ARG A 2 10.589 1.840 -2.152 1.00 0.00 C ATOM 26 NE ARG A 2 11.091 2.565 -3.316 1.00 0.00 N ATOM 27 CZ ARG A 2 11.613 3.786 -3.254 1.00 0.00 C ATOM 28 NH1 ARG A 2 11.712 4.412 -2.088 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.038 4.383 -4.359 1.00 0.00 N ATOM 0 H ARG A 2 7.650 -0.844 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 2 9.982 -2.263 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.706 0.280 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.321 -0.287 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.909 -0.128 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.313 0.522 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.777 2.406 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.380 1.761 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 2 11.038 2.109 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.387 3.956 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 2 12.113 5.349 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.964 3.905 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.438 5.320 -4.311 1.00 0.00 H new ATOM 43 N ARG A 3 7.621 -1.710 0.323 1.00 0.00 N ATOM 44 CA ARG A 3 7.003 -2.226 1.536 1.00 0.00 C ATOM 45 C ARG A 3 5.857 -1.335 2.009 1.00 0.00 C ATOM 46 O ARG A 3 5.507 -1.343 3.190 1.00 0.00 O ATOM 47 CB ARG A 3 8.049 -2.404 2.644 1.00 0.00 C ATOM 48 CG ARG A 3 8.877 -1.161 2.944 1.00 0.00 C ATOM 49 CD ARG A 3 8.063 -0.088 3.652 1.00 0.00 C ATOM 50 NE ARG A 3 8.902 0.987 4.176 1.00 0.00 N ATOM 51 CZ ARG A 3 9.820 0.816 5.125 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.003 -0.379 5.671 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.552 1.844 5.532 1.00 0.00 N ATOM 0 H ARG A 3 7.239 -0.820 0.003 1.00 0.00 H new ATOM 0 HA ARG A 3 6.580 -3.203 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.542 -2.715 3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.723 -3.213 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.731 -1.436 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.275 -0.758 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.333 0.329 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.503 -0.540 4.470 1.00 0.00 H new ATOM 0 HE ARG A 3 8.777 1.924 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.439 -1.172 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.708 -0.505 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.412 2.766 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.255 1.713 6.259 1.00 0.00 H new ATOM 67 N PHE A 4 5.254 -0.582 1.090 1.00 0.00 N ATOM 68 CA PHE A 4 4.140 0.284 1.454 1.00 0.00 C ATOM 69 C PHE A 4 3.218 0.540 0.266 1.00 0.00 C ATOM 70 O PHE A 4 2.005 0.606 0.420 1.00 0.00 O ATOM 71 CB PHE A 4 4.636 1.611 2.048 1.00 0.00 C ATOM 72 CG PHE A 4 5.065 2.636 1.032 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.126 3.318 0.265 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.407 2.923 0.852 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.528 4.262 -0.662 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.812 3.865 -0.074 1.00 0.00 C ATOM 77 CZ PHE A 4 5.871 4.535 -0.832 1.00 0.00 C ATOM 0 H PHE A 4 5.514 -0.555 0.104 1.00 0.00 H new ATOM 0 HA PHE A 4 3.564 -0.237 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.842 2.038 2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.475 1.405 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.074 3.108 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.147 2.404 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.792 4.786 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.863 4.077 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.185 5.271 -1.557 1.00 0.00 H new ATOM 87 N ALA A 5 3.792 0.695 -0.917 1.00 0.00 N ATOM 88 CA ALA A 5 2.997 0.956 -2.109 1.00 0.00 C ATOM 89 C ALA A 5 2.399 -0.331 -2.680 1.00 0.00 C ATOM 90 O ALA A 5 2.597 -0.671 -3.846 1.00 0.00 O ATOM 91 CB ALA A 5 3.838 1.668 -3.142 1.00 0.00 C ATOM 0 H ALA A 5 4.798 0.645 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 5 2.163 1.600 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.237 1.860 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.193 2.614 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.691 1.045 -3.409 1.00 0.00 H new ATOM 97 N TRP A 6 1.662 -1.024 -1.830 1.00 0.00 N ATOM 98 CA TRP A 6 0.994 -2.276 -2.170 1.00 0.00 C ATOM 99 C TRP A 6 -0.278 -2.367 -1.372 1.00 0.00 C ATOM 100 O TRP A 6 -1.302 -2.865 -1.836 1.00 0.00 O ATOM 101 CB TRP A 6 1.819 -3.484 -1.760 1.00 0.00 C ATOM 102 CG TRP A 6 2.240 -3.396 -0.338 1.00 0.00 C ATOM 103 CD1 TRP A 6 2.988 -2.430 0.244 1.00 0.00 C ATOM 104 CD2 TRP A 6 1.891 -4.301 0.681 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.093 -2.657 1.590 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.429 -3.819 1.883 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.163 -5.470 0.678 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.246 -4.478 3.088 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.982 -6.141 1.870 1.00 0.00 C ATOM 110 CH2 TRP A 6 1.519 -5.638 3.064 1.00 0.00 C ATOM 0 H TRP A 6 1.506 -0.730 -0.866 1.00 0.00 H new ATOM 0 HA TRP A 6 0.832 -2.278 -3.248 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.237 -4.393 -1.913 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.700 -3.558 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.438 -1.599 -0.279 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.582 -2.063 2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.742 -5.854 -0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.660 -4.093 4.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.421 -7.064 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.355 -6.178 3.985 1.00 0.00 H new ATOM 121 N TRP A 7 -0.167 -1.918 -0.131 1.00 0.00 N ATOM 122 CA TRP A 7 -1.253 -1.955 0.790 1.00 0.00 C ATOM 123 C TRP A 7 -2.253 -0.892 0.493 1.00 0.00 C ATOM 124 O TRP A 7 -3.366 -0.944 0.983 1.00 0.00 O ATOM 125 CB TRP A 7 -0.742 -1.846 2.220 1.00 0.00 C ATOM 126 CG TRP A 7 0.050 -0.608 2.514 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.346 -0.558 2.872 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.406 0.739 2.510 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.738 0.735 3.098 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.675 1.552 2.878 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.619 1.335 2.230 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.570 2.927 2.971 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.731 2.685 2.317 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.647 3.480 2.685 1.00 0.00 C ATOM 0 H TRP A 7 0.690 -1.519 0.251 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.758 -2.915 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.594 -1.885 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.122 -2.716 2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.990 -1.420 2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.671 1.034 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.470 0.734 1.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.413 3.538 3.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.679 3.153 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.771 4.551 2.745 1.00 0.00 H new ATOM 145 N TRP A 8 -1.869 0.085 -0.297 1.00 0.00 N ATOM 146 CA TRP A 8 -2.799 1.142 -0.599 1.00 0.00 C ATOM 147 C TRP A 8 -4.020 0.538 -1.181 1.00 0.00 C ATOM 148 O TRP A 8 -5.138 0.785 -0.743 1.00 0.00 O ATOM 149 CB TRP A 8 -2.274 2.137 -1.608 1.00 0.00 C ATOM 150 CG TRP A 8 -1.029 2.748 -1.198 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.156 2.200 -0.376 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.525 3.992 -1.599 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.905 3.049 -0.180 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.699 4.173 -0.948 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.007 4.966 -2.445 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.461 5.324 -1.124 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -0.264 6.104 -2.628 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.964 6.282 -1.970 1.00 0.00 C ATOM 0 H TRP A 8 -0.949 0.168 -0.729 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.985 1.673 0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.129 1.635 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.021 2.915 -1.766 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.260 1.225 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.706 2.877 0.428 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.951 4.836 -2.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.404 5.457 -0.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -0.629 6.876 -3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.527 7.189 -2.133 1.00 0.00 H new ATOM 169 N PRO A 9 -3.812 -0.258 -2.223 1.00 0.00 N ATOM 170 CA PRO A 9 -4.889 -0.883 -2.897 1.00 0.00 C ATOM 171 C PRO A 9 -5.960 -1.351 -1.925 1.00 0.00 C ATOM 172 O PRO A 9 -7.144 -1.099 -2.138 1.00 0.00 O ATOM 173 CB PRO A 9 -4.195 -2.031 -3.611 1.00 0.00 C ATOM 174 CG PRO A 9 -2.901 -1.437 -4.020 1.00 0.00 C ATOM 175 CD PRO A 9 -2.510 -0.579 -2.861 1.00 0.00 C ATOM 0 HA PRO A 9 -5.430 -0.227 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.055 -2.889 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.769 -2.378 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.154 -2.206 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.003 -0.851 -4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.845 -1.105 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.987 0.321 -3.184 1.00 0.00 H new ATOM 183 N PHE A 10 -5.543 -1.988 -0.829 1.00 0.00 N ATOM 184 CA PHE A 10 -6.512 -2.413 0.181 1.00 0.00 C ATOM 185 C PHE A 10 -6.687 -1.335 1.247 1.00 0.00 C ATOM 186 O PHE A 10 -7.784 -0.820 1.452 1.00 0.00 O ATOM 187 CB PHE A 10 -6.126 -3.714 0.871 1.00 0.00 C ATOM 188 CG PHE A 10 -4.740 -4.210 0.616 1.00 0.00 C ATOM 189 CD1 PHE A 10 -4.362 -4.690 -0.627 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.817 -4.211 1.641 1.00 0.00 C ATOM 191 CE1 PHE A 10 -3.082 -5.159 -0.837 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.545 -4.685 1.442 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.171 -5.160 0.200 1.00 0.00 C ATOM 0 H PHE A 10 -4.571 -2.216 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.446 -2.579 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.250 -3.582 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.829 -4.487 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.075 -4.697 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.099 -3.834 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.793 -5.525 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.836 -4.687 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.169 -5.531 0.041 1.00 0.00 H new ATOM 203 N LEU A 11 -5.595 -1.010 1.931 1.00 0.00 N ATOM 204 CA LEU A 11 -5.619 -0.001 2.981 1.00 0.00 C ATOM 205 C LEU A 11 -6.255 1.294 2.486 1.00 0.00 C ATOM 206 O LEU A 11 -7.222 1.791 3.064 1.00 0.00 O ATOM 207 CB LEU A 11 -4.217 0.287 3.495 1.00 0.00 C ATOM 208 CG LEU A 11 -3.457 -0.897 4.109 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.228 -0.383 4.822 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.340 -1.689 5.064 1.00 0.00 C ATOM 0 H LEU A 11 -4.680 -1.433 1.775 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.221 -0.400 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.625 0.681 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.283 1.076 4.245 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.158 -1.574 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.685 -1.220 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.585 0.135 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.527 0.308 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.771 -2.520 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.677 -1.039 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.204 -2.076 4.524 1.00 0.00 H new ATOM 222 N ARG A 12 -5.695 1.826 1.409 1.00 0.00 N ATOM 223 CA ARG A 12 -6.175 3.062 0.799 1.00 0.00 C ATOM 224 C ARG A 12 -7.472 2.856 0.020 1.00 0.00 C ATOM 225 O ARG A 12 -8.092 3.827 -0.413 1.00 0.00 O ATOM 226 CB ARG A 12 -5.107 3.625 -0.136 1.00 0.00 C ATOM 227 CG ARG A 12 -3.982 4.312 0.568 1.00 0.00 C ATOM 228 CD ARG A 12 -3.379 5.392 -0.305 1.00 0.00 C ATOM 229 NE ARG A 12 -4.325 6.472 -0.581 1.00 0.00 N ATOM 230 CZ ARG A 12 -4.842 7.265 0.355 1.00 0.00 C ATOM 231 NH1 ARG A 12 -4.502 7.110 1.629 1.00 0.00 N ATOM 232 NH2 ARG A 12 -5.701 8.217 0.015 1.00 0.00 N ATOM 0 H ARG A 12 -4.894 1.414 0.931 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.380 3.765 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.702 2.812 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.576 4.329 -0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.343 4.750 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.216 3.584 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.496 5.802 0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.047 4.953 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.606 6.627 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.841 6.380 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.902 7.721 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.965 8.341 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.098 8.825 0.731 1.00 0.00 H new ATOM 246 N ARG A 13 -7.863 1.597 -0.174 1.00 0.00 N ATOM 247 CA ARG A 13 -9.081 1.273 -0.925 1.00 0.00 C ATOM 248 C ARG A 13 -10.222 2.218 -0.568 1.00 0.00 C ATOM 249 O ARG A 13 -10.830 2.026 0.506 1.00 0.00 O ATOM 250 CB ARG A 13 -9.512 -0.171 -0.664 1.00 0.00 C ATOM 251 CG ARG A 13 -10.723 -0.604 -1.475 1.00 0.00 C ATOM 252 CD ARG A 13 -11.078 -2.058 -1.210 1.00 0.00 C ATOM 253 NE ARG A 13 -12.216 -2.498 -2.012 1.00 0.00 N ATOM 254 CZ ARG A 13 -12.693 -3.739 -1.999 1.00 0.00 C ATOM 255 NH1 ARG A 13 -12.129 -4.663 -1.232 1.00 0.00 N ATOM 256 NH2 ARG A 13 -13.734 -4.058 -2.756 1.00 0.00 N ATOM 0 H ARG A 13 -7.357 0.784 0.177 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.850 1.392 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.678 -0.836 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.735 -0.288 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.574 0.031 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.520 -0.465 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.215 -2.687 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.308 -2.188 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.671 -1.814 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.327 -4.422 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.498 -5.614 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.169 -3.351 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.099 -5.010 -2.746 1.00 0.00 H new HETATM 270 N NH2 A 14 -10.448 3.265 -1.349 1.00 0.00 N TER 273 NH2 A 14