USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 142 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.089 0.733 -5.039 1.00 0.00 N ATOM 2 CA LEU A 1 0.334 1.290 -3.922 1.00 0.00 C ATOM 3 C LEU A 1 -1.070 0.695 -3.864 1.00 0.00 C ATOM 4 O LEU A 1 -1.909 0.972 -4.720 1.00 0.00 O ATOM 5 CB LEU A 1 0.249 2.812 -4.046 1.00 0.00 C ATOM 6 CG LEU A 1 -0.689 3.515 -3.064 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.118 3.471 -1.655 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.935 4.952 -3.497 1.00 0.00 C ATOM 0 H1 LEU A 1 2.041 1.152 -5.058 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.167 -0.298 -4.925 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.598 0.947 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 1 0.856 1.035 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.250 3.223 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.069 3.057 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.643 2.989 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.799 3.976 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.005 2.433 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.850 3.972 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.605 5.437 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.012 5.490 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.389 4.961 -4.488 1.00 0.00 H new ATOM 20 N GLY A 2 -1.318 -0.124 -2.846 1.00 0.00 N ATOM 21 CA GLY A 2 -2.621 -0.744 -2.694 1.00 0.00 C ATOM 22 C GLY A 2 -2.609 -2.216 -3.056 1.00 0.00 C ATOM 23 O GLY A 2 -1.545 -2.819 -3.197 1.00 0.00 O ATOM 0 H GLY A 2 -0.640 -0.369 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.956 -0.629 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.343 -0.224 -3.324 1.00 0.00 H new ATOM 27 N ARG A 3 -3.795 -2.797 -3.207 1.00 0.00 N ATOM 28 CA ARG A 3 -3.916 -4.208 -3.552 1.00 0.00 C ATOM 29 C ARG A 3 -3.134 -4.526 -4.823 1.00 0.00 C ATOM 30 O ARG A 3 -3.025 -3.693 -5.722 1.00 0.00 O ATOM 31 CB ARG A 3 -5.387 -4.585 -3.738 1.00 0.00 C ATOM 32 CG ARG A 3 -6.190 -4.559 -2.447 1.00 0.00 C ATOM 33 CD ARG A 3 -6.818 -3.194 -2.209 1.00 0.00 C ATOM 34 NE ARG A 3 -7.937 -3.262 -1.274 1.00 0.00 N ATOM 35 CZ ARG A 3 -8.483 -2.195 -0.701 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.015 -0.984 -0.968 1.00 0.00 N ATOM 37 NH2 ARG A 3 -9.500 -2.338 0.139 1.00 0.00 N ATOM 0 H ARG A 3 -4.685 -2.312 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.498 -4.794 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.842 -3.899 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.446 -5.583 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.971 -5.318 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.542 -4.814 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.063 -2.510 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.163 -2.783 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.321 -4.180 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.234 -0.870 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.436 -0.166 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.864 -3.268 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.918 -1.518 0.578 1.00 0.00 H new ATOM 51 N VAL A 4 -2.591 -5.737 -4.889 1.00 0.00 N ATOM 52 CA VAL A 4 -1.819 -6.166 -6.050 1.00 0.00 C ATOM 53 C VAL A 4 -2.719 -6.370 -7.263 1.00 0.00 C ATOM 54 O VAL A 4 -2.238 -6.544 -8.383 1.00 0.00 O ATOM 55 CB VAL A 4 -1.057 -7.474 -5.765 1.00 0.00 C ATOM 56 CG1 VAL A 4 -0.090 -7.786 -6.896 1.00 0.00 C ATOM 57 CG2 VAL A 4 -0.323 -7.384 -4.435 1.00 0.00 C ATOM 0 H VAL A 4 -2.671 -6.438 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.101 -5.374 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.779 -8.288 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.439 -8.713 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.644 -7.896 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.629 -6.973 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.210 -8.317 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.389 -6.559 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.042 -7.211 -3.634 1.00 0.00 H new ATOM 67 N ASP A 5 -4.027 -6.345 -7.034 1.00 0.00 N ATOM 68 CA ASP A 5 -4.996 -6.525 -8.109 1.00 0.00 C ATOM 69 C ASP A 5 -6.027 -5.401 -8.104 1.00 0.00 C ATOM 70 O ASP A 5 -6.316 -4.814 -7.061 1.00 0.00 O ATOM 71 CB ASP A 5 -5.696 -7.878 -7.972 1.00 0.00 C ATOM 72 CG ASP A 5 -4.863 -9.019 -8.523 1.00 0.00 C ATOM 73 OD1 ASP A 5 -3.914 -9.447 -7.834 1.00 0.00 O ATOM 74 OD2 ASP A 5 -5.162 -9.484 -9.643 1.00 0.00 O ATOM 0 H ASP A 5 -4.441 -6.202 -6.113 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.460 -6.497 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.914 -8.066 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.652 -7.844 -8.495 1.00 0.00 H new ATOM 79 N ILE A 6 -6.579 -5.107 -9.277 1.00 0.00 N ATOM 80 CA ILE A 6 -7.579 -4.054 -9.407 1.00 0.00 C ATOM 81 C ILE A 6 -8.780 -4.533 -10.216 1.00 0.00 C ATOM 82 O ILE A 6 -8.636 -5.315 -11.157 1.00 0.00 O ATOM 83 CB ILE A 6 -6.990 -2.799 -10.078 1.00 0.00 C ATOM 84 CG1 ILE A 6 -5.713 -2.361 -9.358 1.00 0.00 C ATOM 85 CG2 ILE A 6 -8.013 -1.673 -10.085 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.459 -3.004 -9.908 1.00 0.00 C ATOM 0 H ILE A 6 -6.351 -5.583 -10.150 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.902 -3.799 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.738 -3.041 -11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.618 -1.278 -9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.801 -2.603 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.582 -0.793 -10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.898 -1.989 -10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.293 -1.429 -9.060 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.593 -2.648 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.533 -4.087 -9.811 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.347 -2.741 -10.960 1.00 0.00 H new ATOM 98 N HIS A 7 -9.964 -4.058 -9.844 1.00 0.00 N ATOM 99 CA HIS A 7 -11.191 -4.436 -10.537 1.00 0.00 C ATOM 100 C HIS A 7 -11.100 -4.104 -12.024 1.00 0.00 C ATOM 101 O HIS A 7 -11.273 -4.975 -12.876 1.00 0.00 O ATOM 102 CB HIS A 7 -12.392 -3.723 -9.916 1.00 0.00 C ATOM 103 CG HIS A 7 -13.669 -4.498 -10.022 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.672 -4.429 -9.078 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.105 -5.363 -10.968 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.669 -5.218 -9.439 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.349 -5.796 -10.582 1.00 0.00 N ATOM 0 H HIS A 7 -10.100 -3.411 -9.067 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.322 -5.513 -10.431 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.183 -3.525 -8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.522 -2.756 -10.403 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.573 -5.658 -11.860 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.589 -5.365 -8.892 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.932 -6.457 -11.095 1.00 0.00 H new ATOM 115 N VAL A 8 -10.827 -2.839 -12.327 1.00 0.00 N ATOM 116 CA VAL A 8 -10.713 -2.392 -13.710 1.00 0.00 C ATOM 117 C VAL A 8 -9.581 -3.116 -14.430 1.00 0.00 C ATOM 118 O VAL A 8 -8.663 -3.638 -13.797 1.00 0.00 O ATOM 119 CB VAL A 8 -10.468 -0.873 -13.791 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.664 -0.110 -13.241 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.197 -0.498 -13.045 1.00 0.00 C ATOM 0 H VAL A 8 -10.681 -2.106 -11.633 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.659 -2.627 -14.197 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.342 -0.598 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.473 0.961 -13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.552 -0.357 -13.823 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.825 -0.387 -12.199 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.040 0.578 -13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.291 -0.786 -11.998 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.348 -1.017 -13.489 1.00 0.00 H new ATOM 131 N TRP A 9 -9.652 -3.144 -15.756 1.00 0.00 N ATOM 132 CA TRP A 9 -8.633 -3.805 -16.562 1.00 0.00 C ATOM 133 C TRP A 9 -8.070 -2.855 -17.613 1.00 0.00 C ATOM 134 O TRP A 9 -8.816 -2.278 -18.405 1.00 0.00 O ATOM 135 CB TRP A 9 -9.215 -5.047 -17.239 1.00 0.00 C ATOM 136 CG TRP A 9 -8.203 -5.823 -18.027 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.127 -5.926 -19.387 1.00 0.00 C ATOM 138 CD2 TRP A 9 -7.125 -6.606 -17.503 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.067 -6.725 -19.740 1.00 0.00 N ATOM 140 CE2 TRP A 9 -6.436 -7.154 -18.602 1.00 0.00 C ATOM 141 CE3 TRP A 9 -6.674 -6.896 -16.212 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -5.322 -7.975 -18.447 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -5.569 -7.711 -16.060 1.00 0.00 C ATOM 144 CH2 TRP A 9 -4.902 -8.242 -17.172 1.00 0.00 C ATOM 0 H TRP A 9 -10.405 -2.717 -16.295 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.821 -4.107 -15.900 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.649 -5.697 -16.479 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.026 -4.745 -17.901 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.802 -5.449 -20.083 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -6.794 -6.961 -20.694 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.180 -6.490 -15.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.808 -8.387 -19.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.213 -7.943 -15.067 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.040 -8.874 -17.020 1.00 0.00 H new ATOM 155 N ASP A 10 -6.751 -2.697 -17.616 1.00 0.00 N ATOM 156 CA ASP A 10 -6.088 -1.817 -18.572 1.00 0.00 C ATOM 157 C ASP A 10 -6.619 -0.391 -18.456 1.00 0.00 C ATOM 158 O ASP A 10 -6.613 0.365 -19.427 1.00 0.00 O ATOM 159 CB ASP A 10 -6.288 -2.334 -19.997 1.00 0.00 C ATOM 160 CG ASP A 10 -5.398 -1.626 -21.000 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.204 -1.981 -21.090 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.897 -0.716 -21.695 1.00 0.00 O ATOM 0 H ASP A 10 -6.120 -3.167 -16.967 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.022 -1.809 -18.343 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.082 -3.404 -20.024 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.331 -2.203 -20.285 1.00 0.00 H new ATOM 167 N GLY A 11 -7.078 -0.031 -17.261 1.00 0.00 N ATOM 168 CA GLY A 11 -7.607 1.303 -17.041 1.00 0.00 C ATOM 169 C GLY A 11 -9.118 1.316 -16.934 1.00 0.00 C ATOM 170 O GLY A 11 -9.682 2.010 -16.087 1.00 0.00 O ATOM 0 H GLY A 11 -7.093 -0.639 -16.442 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.178 1.715 -16.128 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.298 1.953 -17.860 1.00 0.00 H new ATOM 174 N VAL A 12 -9.778 0.549 -17.796 1.00 0.00 N ATOM 175 CA VAL A 12 -11.235 0.476 -17.795 1.00 0.00 C ATOM 176 C VAL A 12 -11.714 -0.937 -18.106 1.00 0.00 C ATOM 177 O VAL A 12 -11.322 -1.530 -19.111 1.00 0.00 O ATOM 178 CB VAL A 12 -11.846 1.451 -18.819 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.689 2.888 -18.347 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.208 1.256 -20.186 1.00 0.00 C ATOM 0 H VAL A 12 -9.327 -0.031 -18.504 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.566 0.757 -16.795 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.911 1.238 -18.908 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.126 3.563 -19.083 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.198 3.015 -17.391 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.630 3.118 -18.228 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.651 1.953 -20.897 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.136 1.441 -20.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.379 0.234 -20.525 1.00 0.00 H new ATOM 190 N TYR A 13 -12.564 -1.472 -17.237 1.00 0.00 N ATOM 191 CA TYR A 13 -13.097 -2.817 -17.418 1.00 0.00 C ATOM 192 C TYR A 13 -13.889 -2.920 -18.717 1.00 0.00 C ATOM 193 O TYR A 13 -14.580 -1.981 -19.111 1.00 0.00 O ATOM 194 CB TYR A 13 -13.986 -3.200 -16.234 1.00 0.00 C ATOM 195 CG TYR A 13 -15.177 -2.285 -16.051 1.00 0.00 C ATOM 196 CD1 TYR A 13 -16.345 -2.479 -16.778 1.00 0.00 C ATOM 197 CD2 TYR A 13 -15.133 -1.227 -15.151 1.00 0.00 C ATOM 198 CE1 TYR A 13 -17.434 -1.646 -16.615 1.00 0.00 C ATOM 199 CE2 TYR A 13 -16.218 -0.390 -14.980 1.00 0.00 C ATOM 200 CZ TYR A 13 -17.367 -0.603 -15.714 1.00 0.00 C ATOM 201 OH TYR A 13 -18.449 0.230 -15.548 1.00 0.00 O ATOM 0 H TYR A 13 -12.899 -0.995 -16.400 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.256 -3.508 -17.471 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.341 -4.221 -16.372 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.388 -3.191 -15.323 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.402 -3.295 -17.483 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.235 -1.056 -14.576 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.334 -1.810 -17.190 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.168 0.427 -14.275 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.237 0.911 -14.876 1.00 0.00 H new ATOM 211 N ILE A 14 -13.782 -4.068 -19.378 1.00 0.00 N ATOM 212 CA ILE A 14 -14.489 -4.295 -20.632 1.00 0.00 C ATOM 213 C ILE A 14 -15.999 -4.310 -20.417 1.00 0.00 C ATOM 214 O ILE A 14 -16.511 -5.065 -19.591 1.00 0.00 O ATOM 215 CB ILE A 14 -14.062 -5.622 -21.287 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.536 -5.714 -21.355 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.668 -5.746 -22.677 1.00 0.00 C ATOM 218 CD1 ILE A 14 -11.896 -4.579 -22.122 1.00 0.00 C ATOM 0 H ILE A 14 -13.213 -4.855 -19.066 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.227 -3.471 -21.295 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.430 -6.447 -20.677 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.135 -5.728 -20.341 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.257 -6.659 -21.821 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.357 -6.689 -23.127 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.755 -5.720 -22.604 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.327 -4.918 -23.298 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.814 -4.709 -22.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.268 -4.577 -23.147 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.144 -3.631 -21.644 1.00 0.00 H new ATOM 230 N ARG A 15 -16.706 -3.473 -21.169 1.00 0.00 N ATOM 231 CA ARG A 15 -18.158 -3.390 -21.061 1.00 0.00 C ATOM 232 C ARG A 15 -18.831 -4.358 -22.029 1.00 0.00 C ATOM 233 O ARG A 15 -18.469 -4.432 -23.202 1.00 0.00 O ATOM 234 CB ARG A 15 -18.631 -1.962 -21.340 1.00 0.00 C ATOM 235 CG ARG A 15 -19.964 -1.625 -20.693 1.00 0.00 C ATOM 236 CD ARG A 15 -21.130 -1.975 -21.603 1.00 0.00 C ATOM 237 NE ARG A 15 -21.069 -1.256 -22.873 1.00 0.00 N ATOM 238 CZ ARG A 15 -21.964 -1.401 -23.843 1.00 0.00 C ATOM 239 NH1 ARG A 15 -22.984 -2.235 -23.690 1.00 0.00 N ATOM 240 NH2 ARG A 15 -21.841 -0.711 -24.970 1.00 0.00 N ATOM 0 H ARG A 15 -16.297 -2.843 -21.859 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.438 -3.666 -20.044 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.876 -1.262 -20.983 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.713 -1.820 -22.418 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.060 -2.167 -19.752 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.995 -0.562 -20.453 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.131 -3.048 -21.794 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -22.067 -1.740 -21.098 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.297 -0.607 -23.023 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -23.082 -2.767 -22.825 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.670 -2.344 -24.437 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.058 -0.068 -25.092 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.529 -0.823 -25.714 1.00 0.00 H new ATOM 254 N GLY A 16 -19.814 -5.101 -21.528 1.00 0.00 N ATOM 255 CA GLY A 16 -20.521 -6.056 -22.361 1.00 0.00 C ATOM 256 C GLY A 16 -19.587 -7.042 -23.034 1.00 0.00 C ATOM 257 O GLY A 16 -19.539 -7.123 -24.261 1.00 0.00 O ATOM 0 H GLY A 16 -20.133 -5.058 -20.560 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.242 -6.601 -21.752 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.088 -5.520 -23.122 1.00 0.00 H new ATOM 261 N ARG A 17 -18.843 -7.793 -22.228 1.00 0.00 N ATOM 262 CA ARG A 17 -17.904 -8.777 -22.753 1.00 0.00 C ATOM 263 C ARG A 17 -18.644 -9.974 -23.344 1.00 0.00 C ATOM 264 O ARG A 17 -19.011 -10.905 -22.628 1.00 0.00 O ATOM 265 CB ARG A 17 -16.954 -9.246 -21.649 1.00 0.00 C ATOM 266 CG ARG A 17 -15.645 -9.813 -22.173 1.00 0.00 C ATOM 267 CD ARG A 17 -15.769 -11.293 -22.499 1.00 0.00 C ATOM 268 NE ARG A 17 -14.573 -11.811 -23.158 1.00 0.00 N ATOM 269 CZ ARG A 17 -14.418 -13.084 -23.504 1.00 0.00 C ATOM 270 NH1 ARG A 17 -15.378 -13.964 -23.255 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.300 -13.479 -24.101 1.00 0.00 N ATOM 0 H ARG A 17 -18.872 -7.739 -21.210 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.325 -8.303 -23.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.738 -8.408 -20.987 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.455 -10.006 -21.049 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.343 -9.267 -23.066 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.861 -9.668 -21.430 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.948 -11.853 -21.581 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.635 -11.451 -23.142 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.815 -11.160 -23.364 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.238 -13.664 -22.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.256 -14.941 -23.522 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.559 -12.805 -24.294 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.182 -14.457 -24.366 1.00 0.00 H new TER 285 ARG A 17