USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 hydrogens (0 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 ARG N :NH3+ -177:sc= -0.315 (180deg=-0.366) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.056 -9.853 -8.747 1.00 0.00 N ATOM 2 CA ARG A 1 4.896 -8.642 -8.586 1.00 0.00 C ATOM 3 C ARG A 1 4.436 -7.808 -7.394 1.00 0.00 C ATOM 4 O ARG A 1 4.797 -6.638 -7.268 1.00 0.00 O ATOM 5 CB ARG A 1 4.844 -7.780 -9.846 1.00 0.00 C ATOM 6 CG ARG A 1 5.291 -8.496 -11.108 1.00 0.00 C ATOM 7 CD ARG A 1 5.191 -7.582 -12.314 1.00 0.00 C ATOM 8 NE ARG A 1 3.847 -7.028 -12.468 1.00 0.00 N ATOM 9 CZ ARG A 1 3.593 -5.803 -12.922 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.587 -5.021 -13.326 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.342 -5.370 -12.986 1.00 0.00 N ATOM 0 H1 ARG A 1 4.422 -10.427 -9.533 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.080 -10.411 -7.870 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.076 -9.571 -8.951 1.00 0.00 H new ATOM 0 HA ARG A 1 5.919 -8.976 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.824 -7.422 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.472 -6.902 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.319 -8.839 -10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.675 -9.381 -11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.910 -6.769 -12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.460 -8.136 -13.213 1.00 0.00 H new ATOM 0 HE ARG A 1 3.055 -7.617 -12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.549 -5.359 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.389 -4.083 -13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 1 1.577 -5.975 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.144 -4.432 -13.333 1.00 0.00 H new ATOM 27 N GLY A 2 3.631 -8.403 -6.524 1.00 0.00 N ATOM 28 CA GLY A 2 3.140 -7.688 -5.366 1.00 0.00 C ATOM 29 C GLY A 2 1.722 -7.208 -5.562 1.00 0.00 C ATOM 30 O GLY A 2 0.778 -7.830 -5.076 1.00 0.00 O ATOM 0 H GLY A 2 3.310 -9.368 -6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.186 -8.337 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.788 -6.835 -5.164 1.00 0.00 H new ATOM 34 N GLY A 3 1.570 -6.115 -6.293 1.00 0.00 N ATOM 35 CA GLY A 3 0.252 -5.581 -6.565 1.00 0.00 C ATOM 36 C GLY A 3 -0.433 -5.055 -5.322 1.00 0.00 C ATOM 37 O GLY A 3 -1.593 -5.377 -5.064 1.00 0.00 O ATOM 0 H GLY A 3 2.339 -5.586 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.334 -4.778 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.365 -6.359 -7.013 1.00 0.00 H new ATOM 41 N ARG A 4 0.286 -4.253 -4.545 1.00 0.00 N ATOM 42 CA ARG A 4 -0.278 -3.644 -3.348 1.00 0.00 C ATOM 43 C ARG A 4 0.050 -2.155 -3.300 1.00 0.00 C ATOM 44 O ARG A 4 1.205 -1.755 -3.452 1.00 0.00 O ATOM 45 CB ARG A 4 0.235 -4.343 -2.079 1.00 0.00 C ATOM 46 CG ARG A 4 1.740 -4.246 -1.876 1.00 0.00 C ATOM 47 CD ARG A 4 2.155 -4.769 -0.510 1.00 0.00 C ATOM 48 NE ARG A 4 1.889 -6.197 -0.358 1.00 0.00 N ATOM 49 CZ ARG A 4 1.861 -6.832 0.816 1.00 0.00 C ATOM 50 NH1 ARG A 4 2.028 -6.158 1.948 1.00 0.00 N ATOM 51 NH2 ARG A 4 1.653 -8.143 0.857 1.00 0.00 N ATOM 0 H ARG A 4 1.260 -4.010 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.361 -3.763 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.265 -3.911 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.048 -5.395 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.250 -4.814 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.056 -3.208 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.218 -4.582 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.622 -4.218 0.265 1.00 0.00 H new ATOM 0 HE ARG A 4 1.714 -6.743 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.179 -5.149 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.006 -6.649 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.515 -8.665 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.632 -8.628 1.754 1.00 0.00 H new ATOM 65 N LEU A 5 -0.973 -1.340 -3.103 1.00 0.00 N ATOM 66 CA LEU A 5 -0.799 0.102 -3.007 1.00 0.00 C ATOM 67 C LEU A 5 -1.314 0.589 -1.665 1.00 0.00 C ATOM 68 O LEU A 5 -2.465 0.335 -1.301 1.00 0.00 O ATOM 69 CB LEU A 5 -1.542 0.809 -4.144 1.00 0.00 C ATOM 70 CG LEU A 5 -1.088 0.424 -5.553 1.00 0.00 C ATOM 71 CD1 LEU A 5 -1.949 1.114 -6.598 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.380 0.771 -5.759 1.00 0.00 C ATOM 0 H LEU A 5 -1.939 -1.654 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 5 0.262 0.336 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.607 0.594 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.422 1.885 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.204 -0.654 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.611 0.828 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.989 0.815 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.865 2.195 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.682 0.489 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.523 1.843 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.987 0.230 -5.033 1.00 0.00 H new ATOM 84 N CYS A 6 -0.468 1.287 -0.927 1.00 0.00 N ATOM 85 CA CYS A 6 -0.818 1.707 0.417 1.00 0.00 C ATOM 86 C CYS A 6 -0.975 3.219 0.479 1.00 0.00 C ATOM 87 O CYS A 6 -0.049 3.966 0.154 1.00 0.00 O ATOM 88 CB CYS A 6 0.250 1.247 1.410 1.00 0.00 C ATOM 89 SG CYS A 6 0.826 -0.473 1.174 1.00 0.00 S ATOM 0 H CYS A 6 0.461 1.573 -1.235 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.769 1.248 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.107 1.916 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.146 1.347 2.421 1.00 0.00 H new ATOM 94 N TYR A 7 -2.149 3.660 0.906 1.00 0.00 N ATOM 95 CA TYR A 7 -2.485 5.073 0.922 1.00 0.00 C ATOM 96 C TYR A 7 -2.642 5.567 2.352 1.00 0.00 C ATOM 97 O TYR A 7 -3.436 5.026 3.126 1.00 0.00 O ATOM 98 CB TYR A 7 -3.794 5.318 0.167 1.00 0.00 C ATOM 99 CG TYR A 7 -3.780 4.874 -1.276 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.207 3.601 -1.638 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.356 5.732 -2.279 1.00 0.00 C ATOM 102 CE1 TYR A 7 -4.207 3.199 -2.960 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.354 5.336 -3.601 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.780 4.072 -3.937 1.00 0.00 C ATOM 105 OH TYR A 7 -3.780 3.680 -5.256 1.00 0.00 O ATOM 0 H TYR A 7 -2.891 3.050 1.249 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.675 5.617 0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.600 4.798 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.026 6.382 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.544 2.916 -0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.022 6.726 -2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.540 2.207 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.019 6.017 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.451 4.414 -5.815 1.00 0.00 H new ATOM 115 N CYS A 8 -1.899 6.601 2.700 1.00 0.00 N ATOM 116 CA CYS A 8 -2.010 7.202 4.013 1.00 0.00 C ATOM 117 C CYS A 8 -2.713 8.546 3.890 1.00 0.00 C ATOM 118 O CYS A 8 -2.247 9.441 3.187 1.00 0.00 O ATOM 119 CB CYS A 8 -0.631 7.380 4.652 1.00 0.00 C ATOM 120 SG CYS A 8 0.352 5.843 4.822 1.00 0.00 S ATOM 0 H CYS A 8 -1.211 7.042 2.089 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.592 6.542 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.061 8.093 4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.760 7.821 5.640 1.00 0.00 H new ATOM 125 N ARG A 9 -3.848 8.675 4.560 1.00 0.00 N ATOM 126 CA ARG A 9 -4.684 9.856 4.427 1.00 0.00 C ATOM 127 C ARG A 9 -5.088 10.388 5.797 1.00 0.00 C ATOM 128 O ARG A 9 -5.810 9.724 6.544 1.00 0.00 O ATOM 129 CB ARG A 9 -5.929 9.512 3.607 1.00 0.00 C ATOM 130 CG ARG A 9 -6.847 10.691 3.341 1.00 0.00 C ATOM 131 CD ARG A 9 -8.083 10.258 2.567 1.00 0.00 C ATOM 132 NE ARG A 9 -8.874 9.276 3.312 1.00 0.00 N ATOM 133 CZ ARG A 9 -9.365 8.148 2.790 1.00 0.00 C ATOM 134 NH1 ARG A 9 -9.162 7.851 1.512 1.00 0.00 N ATOM 135 NH2 ARG A 9 -10.068 7.317 3.551 1.00 0.00 N ATOM 0 H ARG A 9 -4.212 7.972 5.204 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.116 10.633 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.616 9.088 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.492 8.739 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.146 11.144 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.310 11.454 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.699 11.130 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.782 9.832 1.610 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.063 9.466 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.627 8.486 0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.541 6.988 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.233 7.540 4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.443 6.456 3.154 1.00 0.00 H new ATOM 149 N GLY A 10 -4.604 11.573 6.126 1.00 0.00 N ATOM 150 CA GLY A 10 -4.955 12.201 7.383 1.00 0.00 C ATOM 151 C GLY A 10 -4.412 11.449 8.579 1.00 0.00 C ATOM 152 O GLY A 10 -3.198 11.366 8.776 1.00 0.00 O ATOM 0 H GLY A 10 -3.969 12.116 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.572 13.221 7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.040 12.267 7.462 1.00 0.00 H new ATOM 156 N TRP A 11 -5.311 10.872 9.360 1.00 0.00 N ATOM 157 CA TRP A 11 -4.940 10.198 10.596 1.00 0.00 C ATOM 158 C TRP A 11 -4.969 8.680 10.426 1.00 0.00 C ATOM 159 O TRP A 11 -4.681 7.936 11.365 1.00 0.00 O ATOM 160 CB TRP A 11 -5.884 10.629 11.728 1.00 0.00 C ATOM 161 CG TRP A 11 -7.315 10.227 11.512 1.00 0.00 C ATOM 162 CD1 TRP A 11 -7.974 9.204 12.130 1.00 0.00 C ATOM 163 CD2 TRP A 11 -8.264 10.835 10.622 1.00 0.00 C ATOM 164 NE1 TRP A 11 -9.267 9.130 11.672 1.00 0.00 N ATOM 165 CE2 TRP A 11 -9.470 10.121 10.750 1.00 0.00 C ATOM 166 CE3 TRP A 11 -8.212 11.908 9.729 1.00 0.00 C ATOM 167 CZ2 TRP A 11 -10.610 10.446 10.020 1.00 0.00 C ATOM 168 CZ3 TRP A 11 -9.344 12.230 9.006 1.00 0.00 C ATOM 169 CH2 TRP A 11 -10.529 11.502 9.155 1.00 0.00 C ATOM 0 H TRP A 11 -6.311 10.857 9.158 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.920 10.485 10.852 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.533 10.197 12.665 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.834 11.712 11.838 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.542 8.548 12.871 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.963 8.447 11.971 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.302 12.476 9.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.525 9.884 10.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -9.314 13.058 8.314 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.397 11.779 8.575 1.00 0.00 H new ATOM 180 N ILE A 12 -5.313 8.226 9.226 1.00 0.00 N ATOM 181 CA ILE A 12 -5.399 6.798 8.939 1.00 0.00 C ATOM 182 C ILE A 12 -4.590 6.440 7.700 1.00 0.00 C ATOM 183 O ILE A 12 -4.368 7.281 6.828 1.00 0.00 O ATOM 184 CB ILE A 12 -6.859 6.328 8.729 1.00 0.00 C ATOM 185 CG1 ILE A 12 -7.524 7.112 7.592 1.00 0.00 C ATOM 186 CG2 ILE A 12 -7.654 6.469 10.018 1.00 0.00 C ATOM 187 CD1 ILE A 12 -8.919 6.628 7.255 1.00 0.00 C ATOM 0 H ILE A 12 -5.538 8.828 8.434 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.990 6.288 9.811 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.843 5.275 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.571 8.166 7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.900 7.043 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.678 6.134 9.852 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.195 5.861 10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.660 7.514 10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.326 7.229 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.877 5.583 6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.559 6.723 8.132 1.00 0.00 H new ATOM 199 N CYS A 13 -4.114 5.211 7.642 1.00 0.00 N ATOM 200 CA CYS A 13 -3.435 4.721 6.455 1.00 0.00 C ATOM 201 C CYS A 13 -3.855 3.285 6.166 1.00 0.00 C ATOM 202 O CYS A 13 -3.801 2.423 7.043 1.00 0.00 O ATOM 203 CB CYS A 13 -1.914 4.817 6.608 1.00 0.00 C ATOM 204 SG CYS A 13 -1.001 4.349 5.101 1.00 0.00 S ATOM 0 H CYS A 13 -4.184 4.533 8.401 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.725 5.349 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.648 5.838 6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.598 4.174 7.429 1.00 0.00 H new ATOM 209 N PHE A 14 -4.276 3.037 4.936 1.00 0.00 N ATOM 210 CA PHE A 14 -4.790 1.734 4.538 1.00 0.00 C ATOM 211 C PHE A 14 -4.083 1.263 3.274 1.00 0.00 C ATOM 212 O PHE A 14 -3.635 2.079 2.470 1.00 0.00 O ATOM 213 CB PHE A 14 -6.304 1.809 4.304 1.00 0.00 C ATOM 214 CG PHE A 14 -6.691 2.668 3.132 1.00 0.00 C ATOM 215 CD1 PHE A 14 -6.982 2.090 1.908 1.00 0.00 C ATOM 216 CD2 PHE A 14 -6.752 4.048 3.250 1.00 0.00 C ATOM 217 CE1 PHE A 14 -7.322 2.869 0.823 1.00 0.00 C ATOM 218 CE2 PHE A 14 -7.096 4.833 2.167 1.00 0.00 C ATOM 219 CZ PHE A 14 -7.380 4.243 0.951 1.00 0.00 C ATOM 0 H PHE A 14 -4.272 3.730 4.187 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.598 1.019 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.689 0.801 4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.783 2.198 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.942 1.016 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.528 4.514 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.543 2.405 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.143 5.907 2.271 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.647 4.855 0.102 1.00 0.00 H new ATOM 229 N CYS A 15 -3.968 -0.038 3.096 1.00 0.00 N ATOM 230 CA CYS A 15 -3.278 -0.567 1.932 1.00 0.00 C ATOM 231 C CYS A 15 -4.114 -1.627 1.227 1.00 0.00 C ATOM 232 O CYS A 15 -4.637 -2.546 1.859 1.00 0.00 O ATOM 233 CB CYS A 15 -1.916 -1.138 2.332 1.00 0.00 C ATOM 234 SG CYS A 15 -0.859 -1.583 0.915 1.00 0.00 S ATOM 0 H CYS A 15 -4.338 -0.743 3.733 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.122 0.255 1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.393 -0.407 2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.071 -2.023 2.950 1.00 0.00 H new ATOM 239 N VAL A 16 -4.235 -1.492 -0.087 1.00 0.00 N ATOM 240 CA VAL A 16 -5.015 -2.425 -0.888 1.00 0.00 C ATOM 241 C VAL A 16 -4.098 -3.207 -1.821 1.00 0.00 C ATOM 242 O VAL A 16 -3.419 -2.626 -2.673 1.00 0.00 O ATOM 243 CB VAL A 16 -6.089 -1.692 -1.727 1.00 0.00 C ATOM 244 CG1 VAL A 16 -6.955 -2.684 -2.488 1.00 0.00 C ATOM 245 CG2 VAL A 16 -6.948 -0.799 -0.843 1.00 0.00 C ATOM 0 H VAL A 16 -3.800 -0.741 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.518 -3.107 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.576 -1.062 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.702 -2.144 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.330 -3.273 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.455 -3.347 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.696 -0.294 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.446 -1.406 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.317 -0.057 -0.354 1.00 0.00 H new ATOM 255 N GLY A 17 -4.080 -4.519 -1.661 1.00 0.00 N ATOM 256 CA GLY A 17 -3.226 -5.351 -2.476 1.00 0.00 C ATOM 257 C GLY A 17 -3.649 -6.800 -2.462 1.00 0.00 C ATOM 258 O GLY A 17 -3.980 -7.345 -1.408 1.00 0.00 O ATOM 0 H GLY A 17 -4.644 -5.024 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.236 -4.982 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.199 -5.272 -2.119 1.00 0.00 H new ATOM 262 N ARG A 18 -3.639 -7.424 -3.625 1.00 0.00 N ATOM 263 CA ARG A 18 -4.040 -8.815 -3.749 1.00 0.00 C ATOM 264 C ARG A 18 -3.001 -9.581 -4.554 1.00 0.00 C ATOM 265 O ARG A 18 -3.079 -9.566 -5.799 1.00 0.00 O ATOM 266 CB ARG A 18 -5.414 -8.905 -4.421 1.00 0.00 C ATOM 267 CG ARG A 18 -6.018 -10.298 -4.425 1.00 0.00 C ATOM 268 CD ARG A 18 -7.385 -10.297 -5.088 1.00 0.00 C ATOM 269 NE ARG A 18 -8.296 -9.348 -4.452 1.00 0.00 N ATOM 270 CZ ARG A 18 -9.420 -8.897 -5.011 1.00 0.00 C ATOM 271 NH1 ARG A 18 -9.781 -9.312 -6.219 1.00 0.00 N ATOM 272 NH2 ARG A 18 -10.177 -8.028 -4.363 1.00 0.00 N ATOM 273 OXT ARG A 18 -2.089 -10.170 -3.938 1.00 0.00 O ATOM 0 H ARG A 18 -3.356 -6.988 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.110 -9.260 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.099 -8.226 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.325 -8.557 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.355 -10.984 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.106 -10.663 -3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.277 -10.046 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.813 -11.299 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.057 -9.008 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.198 -9.979 -6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.642 -8.964 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.901 -7.703 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.037 -7.683 -4.790 1.00 0.00 H new TER 287 ARG A 18