USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=3 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+ -163:sc= -0.0852 (180deg=-0.487) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -12.459 -2.692 -0.457 1.00 0.00 N ATOM 2 CA VAL A 1 -11.112 -3.045 -0.972 1.00 0.00 C ATOM 3 C VAL A 1 -10.158 -1.859 -0.869 1.00 0.00 C ATOM 4 O VAL A 1 -10.523 -0.727 -1.188 1.00 0.00 O ATOM 5 CB VAL A 1 -11.179 -3.507 -2.441 1.00 0.00 C ATOM 6 CG1 VAL A 1 -9.801 -3.913 -2.942 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.168 -4.653 -2.595 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.997 -3.562 -0.267 1.00 0.00 H new ATOM 0 H2 VAL A 1 -12.362 -2.146 0.423 1.00 0.00 H new ATOM 0 H3 VAL A 1 -12.963 -2.121 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 1 -10.740 -3.863 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.526 -2.671 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -9.872 -4.236 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.123 -3.062 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -9.419 -4.732 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.202 -4.966 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.852 -5.492 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -13.159 -4.323 -2.283 1.00 0.00 H new ATOM 19 N ARG A 2 -8.935 -2.128 -0.423 1.00 0.00 N ATOM 20 CA ARG A 2 -7.925 -1.085 -0.279 1.00 0.00 C ATOM 21 C ARG A 2 -6.555 -1.684 0.016 1.00 0.00 C ATOM 22 O ARG A 2 -5.545 -1.212 -0.499 1.00 0.00 O ATOM 23 CB ARG A 2 -8.304 -0.113 0.837 1.00 0.00 C ATOM 24 CG ARG A 2 -7.271 0.981 1.047 1.00 0.00 C ATOM 25 CD ARG A 2 -7.651 1.903 2.189 1.00 0.00 C ATOM 26 NE ARG A 2 -8.897 2.619 1.929 1.00 0.00 N ATOM 27 CZ ARG A 2 -9.437 3.492 2.774 1.00 0.00 C ATOM 28 NH1 ARG A 2 -8.845 3.751 3.933 1.00 0.00 N ATOM 29 NH2 ARG A 2 -10.569 4.107 2.463 1.00 0.00 N ATOM 0 H ARG A 2 -8.619 -3.060 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.878 -0.545 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.266 0.343 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.432 -0.668 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.300 0.530 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.165 1.562 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.753 1.321 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.849 2.622 2.356 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.380 2.439 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.974 3.280 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.261 4.421 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.028 3.911 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.981 4.776 3.113 1.00 0.00 H new ATOM 43 N ARG A 3 -6.529 -2.714 0.855 1.00 0.00 N ATOM 44 CA ARG A 3 -5.279 -3.370 1.231 1.00 0.00 C ATOM 45 C ARG A 3 -4.408 -3.660 0.011 1.00 0.00 C ATOM 46 O ARG A 3 -4.903 -4.090 -1.031 1.00 0.00 O ATOM 47 CB ARG A 3 -5.570 -4.672 1.980 1.00 0.00 C ATOM 48 CG ARG A 3 -6.376 -4.476 3.253 1.00 0.00 C ATOM 49 CD ARG A 3 -6.616 -5.788 3.991 1.00 0.00 C ATOM 50 NE ARG A 3 -7.431 -6.729 3.219 1.00 0.00 N ATOM 51 CZ ARG A 3 -6.947 -7.542 2.281 1.00 0.00 C ATOM 52 NH1 ARG A 3 -5.643 -7.588 2.040 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.768 -8.328 1.598 1.00 0.00 N ATOM 0 H ARG A 3 -7.361 -3.114 1.289 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.732 -2.689 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.111 -5.349 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.626 -5.157 2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.851 -3.782 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.335 -4.019 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.657 -6.250 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.109 -5.581 4.941 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.432 -6.764 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.005 -6.999 2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.279 -8.213 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.769 -8.310 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.398 -8.951 0.880 1.00 0.00 H new ATOM 67 N TYR A 4 -3.106 -3.423 0.155 1.00 0.00 N ATOM 68 CA TYR A 4 -2.158 -3.662 -0.928 1.00 0.00 C ATOM 69 C TYR A 4 -0.796 -4.131 -0.377 1.00 0.00 C ATOM 70 O TYR A 4 -0.710 -4.516 0.789 1.00 0.00 O ATOM 71 CB TYR A 4 -1.976 -2.415 -1.804 1.00 0.00 C ATOM 72 CG TYR A 4 -2.656 -1.147 -1.380 1.00 0.00 C ATOM 73 CD1 TYR A 4 -2.593 -0.675 -0.078 1.00 0.00 C ATOM 74 CD2 TYR A 4 -3.300 -0.377 -2.330 1.00 0.00 C ATOM 75 CE1 TYR A 4 -3.165 0.529 0.264 1.00 0.00 C ATOM 76 CE2 TYR A 4 -3.877 0.821 -2.001 1.00 0.00 C ATOM 77 CZ TYR A 4 -3.809 1.278 -0.701 1.00 0.00 C ATOM 78 OH TYR A 4 -4.383 2.484 -0.366 1.00 0.00 O ATOM 0 H TYR A 4 -2.684 -3.065 1.012 1.00 0.00 H new ATOM 0 HA TYR A 4 -2.573 -4.454 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.908 -2.212 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.323 -2.660 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.089 -1.259 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.349 -0.726 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.111 0.886 1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.383 1.405 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.794 2.883 -1.161 1.00 0.00 H new ATOM 88 N PRO A 5 0.296 -4.115 -1.198 1.00 0.00 N ATOM 89 CA PRO A 5 1.626 -4.549 -0.752 1.00 0.00 C ATOM 90 C PRO A 5 2.049 -3.929 0.563 1.00 0.00 C ATOM 91 O PRO A 5 1.576 -2.859 0.925 1.00 0.00 O ATOM 92 CB PRO A 5 2.546 -4.041 -1.843 1.00 0.00 C ATOM 93 CG PRO A 5 1.715 -4.048 -3.060 1.00 0.00 C ATOM 94 CD PRO A 5 0.335 -3.684 -2.614 1.00 0.00 C ATOM 0 HA PRO A 5 1.646 -5.627 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.912 -3.039 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.420 -4.682 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.090 -3.334 -3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.726 -5.029 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.152 -2.614 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.424 -4.192 -3.208 1.00 0.00 H new ATOM 102 N TRP A 6 2.972 -4.583 1.257 1.00 0.00 N ATOM 103 CA TRP A 6 3.482 -4.042 2.505 1.00 0.00 C ATOM 104 C TRP A 6 4.211 -2.743 2.196 1.00 0.00 C ATOM 105 O TRP A 6 4.183 -1.791 2.976 1.00 0.00 O ATOM 106 CB TRP A 6 4.421 -5.035 3.193 1.00 0.00 C ATOM 107 CG TRP A 6 5.600 -5.418 2.363 1.00 0.00 C ATOM 108 CD1 TRP A 6 5.628 -6.298 1.321 1.00 0.00 C ATOM 109 CD2 TRP A 6 6.932 -4.946 2.530 1.00 0.00 C ATOM 110 NE1 TRP A 6 6.906 -6.394 0.823 1.00 0.00 N ATOM 111 CE2 TRP A 6 7.726 -5.571 1.552 1.00 0.00 C ATOM 112 CE3 TRP A 6 7.525 -4.050 3.412 1.00 0.00 C ATOM 113 CZ2 TRP A 6 9.091 -5.324 1.438 1.00 0.00 C ATOM 114 CZ3 TRP A 6 8.872 -3.805 3.301 1.00 0.00 C ATOM 115 CH2 TRP A 6 9.648 -4.438 2.320 1.00 0.00 C ATOM 0 H TRP A 6 3.377 -5.477 0.980 1.00 0.00 H new ATOM 0 HA TRP A 6 2.654 -3.855 3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.772 -4.601 4.129 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.860 -5.934 3.449 1.00 0.00 H new ATOM 0 HD1 TRP A 6 4.773 -6.839 0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 6 7.196 -6.980 0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 6 6.937 -3.555 4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 9.688 -5.813 0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.342 -3.112 3.982 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.705 -4.223 2.259 1.00 0.00 H new ATOM 126 N TRP A 7 4.844 -2.716 1.022 1.00 0.00 N ATOM 127 CA TRP A 7 5.565 -1.539 0.557 1.00 0.00 C ATOM 128 C TRP A 7 4.631 -0.540 -0.056 1.00 0.00 C ATOM 129 O TRP A 7 5.006 0.609 -0.288 1.00 0.00 O ATOM 130 CB TRP A 7 6.620 -1.890 -0.489 1.00 0.00 C ATOM 131 CG TRP A 7 6.226 -2.959 -1.456 1.00 0.00 C ATOM 132 CD1 TRP A 7 6.567 -4.246 -1.367 1.00 0.00 C ATOM 133 CD2 TRP A 7 5.460 -2.842 -2.640 1.00 0.00 C ATOM 134 NE1 TRP A 7 6.103 -4.962 -2.434 1.00 0.00 N ATOM 135 CE2 TRP A 7 5.407 -4.119 -3.237 1.00 0.00 C ATOM 136 CE3 TRP A 7 4.822 -1.796 -3.255 1.00 0.00 C ATOM 137 CZ2 TRP A 7 4.738 -4.362 -4.427 1.00 0.00 C ATOM 138 CZ3 TRP A 7 4.153 -2.035 -4.422 1.00 0.00 C ATOM 139 CH2 TRP A 7 4.111 -3.304 -5.008 1.00 0.00 C ATOM 0 H TRP A 7 4.869 -3.504 0.375 1.00 0.00 H new ATOM 0 HA TRP A 7 6.050 -1.117 1.437 1.00 0.00 H new ATOM 0 HB2 TRP A 7 6.867 -0.988 -1.049 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.528 -2.204 0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 7 7.138 -4.669 -0.554 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.254 -5.957 -2.598 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.848 -0.805 -2.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 4.716 -5.346 -4.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.640 -1.218 -4.907 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.574 -3.446 -5.934 1.00 0.00 H new ATOM 150 N TRP A 8 3.436 -0.982 -0.380 1.00 0.00 N ATOM 151 CA TRP A 8 2.516 -0.103 -1.030 1.00 0.00 C ATOM 152 C TRP A 8 2.194 1.146 -0.204 1.00 0.00 C ATOM 153 O TRP A 8 2.176 2.248 -0.739 1.00 0.00 O ATOM 154 CB TRP A 8 1.229 -0.801 -1.397 1.00 0.00 C ATOM 155 CG TRP A 8 0.400 0.027 -2.276 1.00 0.00 C ATOM 156 CD1 TRP A 8 -0.460 1.001 -1.911 1.00 0.00 C ATOM 157 CD2 TRP A 8 0.357 -0.061 -3.668 1.00 0.00 C ATOM 158 NE1 TRP A 8 -1.062 1.527 -3.021 1.00 0.00 N ATOM 159 CE2 TRP A 8 -0.566 0.882 -4.119 1.00 0.00 C ATOM 160 CE3 TRP A 8 1.019 -0.862 -4.569 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -0.850 1.045 -5.450 1.00 0.00 C ATOM 162 CZ3 TRP A 8 0.745 -0.708 -5.908 1.00 0.00 C ATOM 163 CH2 TRP A 8 -0.191 0.244 -6.342 1.00 0.00 C ATOM 0 H TRP A 8 3.092 -1.926 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 8 3.024 0.215 -1.941 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.455 -1.746 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.673 -1.041 -0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.645 1.318 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.760 2.271 -3.028 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.737 -1.595 -4.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.568 1.780 -5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.255 -1.326 -6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.394 0.346 -7.398 1.00 0.00 H new ATOM 174 N PRO A 9 1.890 0.997 1.097 1.00 0.00 N ATOM 175 CA PRO A 9 1.539 2.128 1.948 1.00 0.00 C ATOM 176 C PRO A 9 2.424 3.347 1.702 1.00 0.00 C ATOM 177 O PRO A 9 1.931 4.463 1.577 1.00 0.00 O ATOM 178 CB PRO A 9 1.760 1.590 3.360 1.00 0.00 C ATOM 179 CG PRO A 9 1.551 0.116 3.258 1.00 0.00 C ATOM 180 CD PRO A 9 1.819 -0.278 1.826 1.00 0.00 C ATOM 0 HA PRO A 9 0.523 2.475 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.764 1.821 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.061 2.038 4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.221 -0.415 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.533 -0.148 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.750 -0.838 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.025 -0.915 1.435 1.00 0.00 H new ATOM 188 N TYR A 10 3.729 3.125 1.624 1.00 0.00 N ATOM 189 CA TYR A 10 4.672 4.214 1.383 1.00 0.00 C ATOM 190 C TYR A 10 4.348 4.893 0.059 1.00 0.00 C ATOM 191 O TYR A 10 4.478 6.109 -0.086 1.00 0.00 O ATOM 192 CB TYR A 10 6.116 3.697 1.343 1.00 0.00 C ATOM 193 CG TYR A 10 6.470 2.741 2.461 1.00 0.00 C ATOM 194 CD1 TYR A 10 5.988 1.440 2.462 1.00 0.00 C ATOM 195 CD2 TYR A 10 7.288 3.137 3.512 1.00 0.00 C ATOM 196 CE1 TYR A 10 6.305 0.560 3.474 1.00 0.00 C ATOM 197 CE2 TYR A 10 7.612 2.261 4.531 1.00 0.00 C ATOM 198 CZ TYR A 10 7.118 0.973 4.508 1.00 0.00 C ATOM 199 OH TYR A 10 7.438 0.097 5.520 1.00 0.00 O ATOM 0 H TYR A 10 4.160 2.206 1.723 1.00 0.00 H new ATOM 0 HA TYR A 10 4.579 4.928 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.284 3.198 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.795 4.549 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.352 1.110 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.677 4.144 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.918 -0.448 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.249 2.583 5.341 1.00 0.00 H new ATOM 0 HH TYR A 10 8.020 0.545 6.169 1.00 0.00 H new ATOM 209 N LEU A 11 3.941 4.078 -0.906 1.00 0.00 N ATOM 210 CA LEU A 11 3.607 4.550 -2.241 1.00 0.00 C ATOM 211 C LEU A 11 2.486 5.589 -2.224 1.00 0.00 C ATOM 212 O LEU A 11 2.549 6.584 -2.947 1.00 0.00 O ATOM 213 CB LEU A 11 3.190 3.367 -3.119 1.00 0.00 C ATOM 214 CG LEU A 11 4.065 2.112 -2.995 1.00 0.00 C ATOM 215 CD1 LEU A 11 3.701 1.121 -4.081 1.00 0.00 C ATOM 216 CD2 LEU A 11 5.550 2.440 -3.061 1.00 0.00 C ATOM 0 H LEU A 11 3.834 3.071 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 11 4.497 5.029 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.163 3.098 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.194 3.690 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 11 3.873 1.671 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.326 0.233 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.653 0.840 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.862 1.576 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.130 1.522 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.775 2.917 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.810 3.116 -2.247 1.00 0.00 H new ATOM 228 N ARG A 12 1.449 5.349 -1.423 1.00 0.00 N ATOM 229 CA ARG A 12 0.317 6.271 -1.362 1.00 0.00 C ATOM 230 C ARG A 12 -0.150 6.527 0.067 1.00 0.00 C ATOM 231 O ARG A 12 -0.331 7.678 0.465 1.00 0.00 O ATOM 232 CB ARG A 12 -0.842 5.721 -2.191 1.00 0.00 C ATOM 233 CG ARG A 12 -0.493 5.528 -3.656 1.00 0.00 C ATOM 234 CD ARG A 12 -1.664 4.957 -4.441 1.00 0.00 C ATOM 235 NE ARG A 12 -1.346 4.779 -5.857 1.00 0.00 N ATOM 236 CZ ARG A 12 -1.027 5.776 -6.679 1.00 0.00 C ATOM 237 NH1 ARG A 12 -0.984 7.026 -6.234 1.00 0.00 N ATOM 238 NH2 ARG A 12 -0.753 5.523 -7.951 1.00 0.00 N ATOM 0 H ARG A 12 1.369 4.534 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 12 0.653 7.224 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.159 4.766 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.690 6.401 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.196 6.483 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.363 4.859 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.953 3.998 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.523 5.621 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.370 3.833 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.196 7.227 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.739 7.785 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.787 4.565 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.508 6.286 -8.582 1.00 0.00 H new ATOM 252 N ARG A 13 -0.353 5.461 0.836 1.00 0.00 N ATOM 253 CA ARG A 13 -0.807 5.605 2.216 1.00 0.00 C ATOM 254 C ARG A 13 0.246 6.316 3.066 1.00 0.00 C ATOM 255 O ARG A 13 1.016 5.620 3.760 1.00 0.00 O ATOM 256 CB ARG A 13 -1.139 4.237 2.820 1.00 0.00 C ATOM 257 CG ARG A 13 -1.700 4.316 4.233 1.00 0.00 C ATOM 258 CD ARG A 13 -2.998 5.109 4.272 1.00 0.00 C ATOM 259 NE ARG A 13 -3.513 5.257 5.631 1.00 0.00 N ATOM 260 CZ ARG A 13 -4.631 5.913 5.928 1.00 0.00 C ATOM 261 NH1 ARG A 13 -5.350 6.477 4.965 1.00 0.00 N ATOM 262 NH2 ARG A 13 -5.031 6.008 7.188 1.00 0.00 N ATOM 0 H ARG A 13 -0.212 4.498 0.532 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.711 6.213 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.861 3.731 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.237 3.625 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.875 3.310 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.967 4.782 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.832 6.095 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.745 4.611 3.654 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.986 4.834 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.045 6.408 3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.207 6.979 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.481 5.578 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.889 6.512 7.414 1.00 0.00 H new HETATM 276 N NH2 A 14 1.322 6.825 2.476 1.00 0.00 N TER 279 NH2 A 14