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= -0.122 (180deg=-0.428) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.744 -3.408 -5.336 1.00 0.00 N ATOM 2 CA VAL A 1 6.974 -2.671 -4.302 1.00 0.00 C ATOM 3 C VAL A 1 7.892 -2.002 -3.290 1.00 0.00 C ATOM 4 O VAL A 1 8.835 -2.616 -2.790 1.00 0.00 O ATOM 5 CB VAL A 1 6.012 -3.605 -3.536 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.742 -4.855 -3.068 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.385 -2.876 -2.348 1.00 0.00 C ATOM 0 H1 VAL A 1 7.099 -4.013 -5.884 1.00 0.00 H new ATOM 0 H2 VAL A 1 8.207 -2.729 -5.974 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.466 -3.999 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 1 6.402 -1.912 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 1 5.214 -3.905 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.049 -5.501 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.140 -5.388 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.561 -4.572 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.711 -3.551 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.170 -2.545 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.826 -2.011 -2.706 1.00 0.00 H new ATOM 19 N ARG A 2 7.584 -0.752 -2.968 1.00 0.00 N ATOM 20 CA ARG A 2 8.353 -0.012 -1.983 1.00 0.00 C ATOM 21 C ARG A 2 8.100 -0.635 -0.611 1.00 0.00 C ATOM 22 O ARG A 2 8.419 -1.802 -0.396 1.00 0.00 O ATOM 23 CB ARG A 2 7.959 1.469 -2.006 1.00 0.00 C ATOM 24 CG ARG A 2 8.817 2.356 -1.118 1.00 0.00 C ATOM 25 CD ARG A 2 10.283 2.239 -1.482 1.00 0.00 C ATOM 26 NE ARG A 2 11.132 3.091 -0.651 1.00 0.00 N ATOM 27 CZ ARG A 2 11.271 2.944 0.664 1.00 0.00 C ATOM 28 NH1 ARG A 2 10.628 1.975 1.300 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.059 3.766 1.344 1.00 0.00 N ATOM 0 H ARG A 2 6.807 -0.232 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 2 9.417 -0.067 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.019 1.834 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.918 1.561 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.496 3.393 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.675 2.076 -0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.599 1.201 -1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.417 2.508 -2.530 1.00 0.00 H new ATOM 0 HE ARG A 2 11.649 3.843 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.023 1.338 0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.738 1.866 2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.559 4.511 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.165 3.653 2.352 1.00 0.00 H new ATOM 43 N ARG A 3 7.497 0.122 0.303 1.00 0.00 N ATOM 44 CA ARG A 3 7.183 -0.394 1.627 1.00 0.00 C ATOM 45 C ARG A 3 5.914 0.238 2.148 1.00 0.00 C ATOM 46 O ARG A 3 5.735 0.404 3.356 1.00 0.00 O ATOM 47 CB ARG A 3 8.327 -0.134 2.604 1.00 0.00 C ATOM 48 CG ARG A 3 9.629 -0.791 2.191 1.00 0.00 C ATOM 49 CD ARG A 3 9.506 -2.303 2.177 1.00 0.00 C ATOM 50 NE ARG A 3 10.449 -2.909 1.245 1.00 0.00 N ATOM 51 CZ ARG A 3 10.605 -4.222 1.096 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.891 -5.066 1.828 1.00 0.00 N ATOM 53 NH2 ARG A 3 11.475 -4.691 0.211 1.00 0.00 N ATOM 0 H ARG A 3 7.218 1.091 0.149 1.00 0.00 H new ATOM 0 HA ARG A 3 7.040 -1.471 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.483 0.941 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.042 -0.497 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.918 -0.439 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.422 -0.495 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.683 -2.692 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.489 -2.584 1.901 1.00 0.00 H new ATOM 0 HE ARG A 3 11.023 -2.290 0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.220 -4.709 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.013 -6.072 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.025 -4.045 -0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.594 -5.698 0.097 1.00 0.00 H new ATOM 67 N PHE A 4 5.030 0.585 1.228 1.00 0.00 N ATOM 68 CA PHE A 4 3.773 1.196 1.594 1.00 0.00 C ATOM 69 C PHE A 4 2.838 1.303 0.394 1.00 0.00 C ATOM 70 O PHE A 4 1.636 1.111 0.520 1.00 0.00 O ATOM 71 CB PHE A 4 4.022 2.578 2.179 1.00 0.00 C ATOM 72 CG PHE A 4 4.416 3.576 1.142 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.451 4.284 0.443 1.00 0.00 C ATOM 74 CD2 PHE A 4 5.751 3.798 0.859 1.00 0.00 C ATOM 75 CE1 PHE A 4 3.820 5.200 -0.524 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.125 4.711 -0.104 1.00 0.00 C ATOM 77 CZ PHE A 4 5.158 5.416 -0.796 1.00 0.00 C ATOM 0 H PHE A 4 5.163 0.453 0.225 1.00 0.00 H new ATOM 0 HA PHE A 4 3.294 0.563 2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.120 2.922 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.806 2.514 2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.405 4.119 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.509 3.250 1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.063 5.747 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.171 4.875 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.448 6.135 -1.548 1.00 0.00 H new ATOM 87 N ALA A 5 3.396 1.635 -0.760 1.00 0.00 N ATOM 88 CA ALA A 5 2.606 1.799 -1.971 1.00 0.00 C ATOM 89 C ALA A 5 2.206 0.458 -2.587 1.00 0.00 C ATOM 90 O ALA A 5 2.357 0.231 -3.788 1.00 0.00 O ATOM 91 CB ALA A 5 3.374 2.642 -2.960 1.00 0.00 C ATOM 0 H ALA A 5 4.395 1.797 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 5 1.678 2.306 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.784 2.766 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.578 3.620 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.316 2.150 -3.204 1.00 0.00 H new ATOM 97 N TRP A 6 1.678 -0.404 -1.742 1.00 0.00 N ATOM 98 CA TRP A 6 1.208 -1.729 -2.125 1.00 0.00 C ATOM 99 C TRP A 6 -0.045 -2.023 -1.347 1.00 0.00 C ATOM 100 O TRP A 6 -0.982 -2.651 -1.837 1.00 0.00 O ATOM 101 CB TRP A 6 2.198 -2.813 -1.739 1.00 0.00 C ATOM 102 CG TRP A 6 2.576 -2.719 -0.306 1.00 0.00 C ATOM 103 CD1 TRP A 6 3.182 -1.686 0.325 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.325 -3.699 0.671 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.279 -1.946 1.668 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.766 -3.197 1.903 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.756 -4.951 0.605 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.640 -3.924 3.080 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.633 -5.687 1.766 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.070 -5.167 2.993 1.00 0.00 C ATOM 0 H TRP A 6 1.559 -0.203 -0.749 1.00 0.00 H new ATOM 0 HA TRP A 6 1.060 -1.729 -3.205 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.763 -3.792 -1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.091 -2.729 -2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.537 -0.788 -0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.666 -1.317 2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.412 -5.350 -0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.978 -3.526 4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.196 -6.674 1.729 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.955 -5.759 3.889 1.00 0.00 H new ATOM 121 N TRP A 7 -0.014 -1.588 -0.095 1.00 0.00 N ATOM 122 CA TRP A 7 -1.095 -1.800 0.808 1.00 0.00 C ATOM 123 C TRP A 7 -2.230 -0.875 0.525 1.00 0.00 C ATOM 124 O TRP A 7 -3.333 -1.100 0.989 1.00 0.00 O ATOM 125 CB TRP A 7 -0.619 -1.671 2.251 1.00 0.00 C ATOM 126 CG TRP A 7 -0.019 -0.345 2.607 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.251 -0.121 3.002 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.664 0.923 2.638 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.443 1.206 3.283 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.280 1.867 3.063 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.944 1.351 2.347 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -0.022 3.207 3.201 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -2.250 2.667 2.479 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.298 3.593 2.903 1.00 0.00 C ATOM 0 H TRP A 7 0.772 -1.078 0.307 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.464 -2.815 0.662 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.463 -1.860 2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.119 -2.450 2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.012 -0.883 3.085 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.315 1.626 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.694 0.647 2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.719 3.920 3.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.251 3.003 2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.574 4.633 2.997 1.00 0.00 H new ATOM 145 N TRP A 8 -1.975 0.176 -0.224 1.00 0.00 N ATOM 146 CA TRP A 8 -3.039 1.104 -0.512 1.00 0.00 C ATOM 147 C TRP A 8 -4.156 0.359 -1.138 1.00 0.00 C ATOM 148 O TRP A 8 -5.306 0.442 -0.722 1.00 0.00 O ATOM 149 CB TRP A 8 -2.647 2.196 -1.482 1.00 0.00 C ATOM 150 CG TRP A 8 -1.504 2.959 -1.035 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.585 2.516 -0.201 1.00 0.00 C ATOM 152 CD2 TRP A 8 -1.158 4.266 -1.407 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.353 3.491 0.030 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.018 4.593 -0.725 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.744 5.183 -2.249 1.00 0.00 C ATOM 156 CZ2 TRP A 8 0.629 5.835 -0.867 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.151 6.411 -2.399 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.030 6.734 -1.711 1.00 0.00 C ATOM 0 H TRP A 8 -1.068 0.403 -0.632 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.306 1.570 0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.424 1.751 -2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.493 2.868 -1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.572 1.529 0.237 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.158 3.413 0.652 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.652 4.941 -2.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.536 6.080 -0.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.599 7.141 -3.057 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.474 7.709 -1.849 1.00 0.00 H new ATOM 169 N PRO A 9 -3.821 -0.372 -2.196 1.00 0.00 N ATOM 170 CA PRO A 9 -4.789 -1.116 -2.914 1.00 0.00 C ATOM 171 C PRO A 9 -5.805 -1.751 -1.979 1.00 0.00 C ATOM 172 O PRO A 9 -7.010 -1.636 -2.199 1.00 0.00 O ATOM 173 CB PRO A 9 -3.930 -2.140 -3.639 1.00 0.00 C ATOM 174 CG PRO A 9 -2.718 -1.367 -3.997 1.00 0.00 C ATOM 175 CD PRO A 9 -2.473 -0.497 -2.809 1.00 0.00 C ATOM 0 HA PRO A 9 -5.399 -0.520 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.692 -2.991 -3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.432 -2.535 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.870 -2.024 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.875 -0.775 -4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.758 -0.947 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.070 0.474 -3.097 1.00 0.00 H new ATOM 183 N PHE A 10 -5.323 -2.375 -0.904 1.00 0.00 N ATOM 184 CA PHE A 10 -6.242 -2.955 0.073 1.00 0.00 C ATOM 185 C PHE A 10 -6.580 -1.940 1.161 1.00 0.00 C ATOM 186 O PHE A 10 -7.739 -1.574 1.348 1.00 0.00 O ATOM 187 CB PHE A 10 -5.692 -4.209 0.739 1.00 0.00 C ATOM 188 CG PHE A 10 -4.247 -4.502 0.493 1.00 0.00 C ATOM 189 CD1 PHE A 10 -3.791 -4.891 -0.755 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.346 -4.405 1.533 1.00 0.00 C ATOM 191 CE1 PHE A 10 -2.456 -5.174 -0.956 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.019 -4.692 1.343 1.00 0.00 C ATOM 193 CZ PHE A 10 -1.567 -5.077 0.095 1.00 0.00 C ATOM 0 H PHE A 10 -4.332 -2.490 -0.691 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.135 -3.232 -0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.847 -4.123 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.278 -5.063 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.486 -4.974 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.691 -4.099 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.107 -5.471 -1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.327 -4.617 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.522 -5.301 -0.057 1.00 0.00 H new ATOM 203 N LEU A 11 -5.557 -1.501 1.887 1.00 0.00 N ATOM 204 CA LEU A 11 -5.734 -0.536 2.963 1.00 0.00 C ATOM 205 C LEU A 11 -6.529 0.681 2.496 1.00 0.00 C ATOM 206 O LEU A 11 -7.562 1.025 3.071 1.00 0.00 O ATOM 207 CB LEU A 11 -4.394 -0.081 3.518 1.00 0.00 C ATOM 208 CG LEU A 11 -3.495 -1.171 4.119 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.349 -0.519 4.860 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.280 -2.091 5.044 1.00 0.00 C ATOM 0 H LEU A 11 -4.592 -1.801 1.747 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.294 -1.039 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.843 0.412 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.580 0.669 4.286 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.101 -1.786 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.708 -1.289 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.769 0.092 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.743 0.111 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.614 -2.851 5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.708 -1.508 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.081 -2.574 4.483 1.00 0.00 H new ATOM 222 N ARG A 12 -6.030 1.323 1.448 1.00 0.00 N ATOM 223 CA ARG A 12 -6.664 2.507 0.874 1.00 0.00 C ATOM 224 C ARG A 12 -7.910 2.164 0.061 1.00 0.00 C ATOM 225 O ARG A 12 -8.635 3.064 -0.362 1.00 0.00 O ATOM 226 CB ARG A 12 -5.670 3.248 -0.018 1.00 0.00 C ATOM 227 CG ARG A 12 -4.640 4.029 0.732 1.00 0.00 C ATOM 228 CD ARG A 12 -4.179 5.225 -0.074 1.00 0.00 C ATOM 229 NE ARG A 12 -5.230 6.229 -0.212 1.00 0.00 N ATOM 230 CZ ARG A 12 -5.065 7.391 -0.839 1.00 0.00 C ATOM 231 NH1 ARG A 12 -3.893 7.695 -1.379 1.00 0.00 N ATOM 232 NH2 ARG A 12 -6.070 8.251 -0.922 1.00 0.00 N ATOM 0 H ARG A 12 -5.175 1.039 0.970 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.973 3.140 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.166 2.526 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.220 3.926 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.053 4.364 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.788 3.389 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.310 5.674 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.861 4.895 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.143 6.028 0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.116 7.038 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.769 8.586 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.972 8.023 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.941 9.141 -1.403 1.00 0.00 H new ATOM 246 N ARG A 13 -8.142 0.872 -0.174 1.00 0.00 N ATOM 247 CA ARG A 13 -9.298 0.428 -0.961 1.00 0.00 C ATOM 248 C ARG A 13 -10.550 1.223 -0.606 1.00 0.00 C ATOM 249 O ARG A 13 -10.963 1.174 0.572 1.00 0.00 O ATOM 250 CB ARG A 13 -9.564 -1.063 -0.749 1.00 0.00 C ATOM 251 CG ARG A 13 -10.746 -1.590 -1.547 1.00 0.00 C ATOM 252 CD ARG A 13 -10.998 -3.063 -1.267 1.00 0.00 C ATOM 253 NE ARG A 13 -9.860 -3.897 -1.644 1.00 0.00 N ATOM 254 CZ ARG A 13 -9.830 -5.218 -1.490 1.00 0.00 C ATOM 255 NH1 ARG A 13 -10.870 -5.852 -0.964 1.00 0.00 N ATOM 256 NH2 ARG A 13 -8.760 -5.907 -1.863 1.00 0.00 N ATOM 0 H ARG A 13 -7.549 0.116 0.167 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.059 0.603 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.671 -1.625 -1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.742 -1.245 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.638 -1.014 -1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.559 -1.448 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.211 -3.199 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.883 -3.389 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.042 -3.441 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.696 -5.326 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.844 -6.865 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.958 -5.424 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.739 -6.920 -1.744 1.00 0.00 H new HETATM 270 N NH2 A 14 -10.876 2.264 -1.359 1.00 0.00 N TER 273 NH2 A 14