USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 165 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 VAL N :NH3+ -161:sc= -0.0899 (180deg=-0.869) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 134:sc=-0.00411 (180deg=-0.318) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -40:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.866 -0.818 -0.440 1.00 0.00 N ATOM 2 CA VAL A 1 2.477 -0.484 -1.720 1.00 0.00 C ATOM 3 C VAL A 1 2.289 -1.611 -2.730 1.00 0.00 C ATOM 4 O VAL A 1 2.130 -1.366 -3.926 1.00 0.00 O ATOM 5 CB VAL A 1 3.982 -0.194 -1.565 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.565 0.318 -2.873 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.219 0.802 -0.440 1.00 0.00 C ATOM 0 H1 VAL A 1 1.719 0.051 0.112 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.950 -1.283 -0.603 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.492 -1.461 0.086 1.00 0.00 H new ATOM 0 HA VAL A 1 1.977 0.413 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 1 4.489 -1.124 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.629 0.517 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.428 -0.433 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.056 1.237 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.287 0.995 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.700 1.734 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.839 0.391 0.496 1.00 0.00 H new ATOM 17 N SER A 2 2.308 -2.846 -2.240 1.00 0.00 N ATOM 18 CA SER A 2 2.142 -4.012 -3.099 1.00 0.00 C ATOM 19 C SER A 2 0.669 -4.247 -3.419 1.00 0.00 C ATOM 20 O SER A 2 0.333 -4.930 -4.387 1.00 0.00 O ATOM 21 CB SER A 2 2.735 -5.254 -2.430 1.00 0.00 C ATOM 22 OG SER A 2 3.253 -6.154 -3.394 1.00 0.00 O ATOM 0 H SER A 2 2.437 -3.065 -1.252 1.00 0.00 H new ATOM 0 HA SER A 2 2.672 -3.823 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.527 -4.957 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.968 -5.753 -1.837 1.00 0.00 H new ATOM 0 HG SER A 2 3.627 -6.938 -2.941 1.00 0.00 H new ATOM 28 N VAL A 3 -0.206 -3.675 -2.598 1.00 0.00 N ATOM 29 CA VAL A 3 -1.644 -3.820 -2.793 1.00 0.00 C ATOM 30 C VAL A 3 -2.160 -2.833 -3.833 1.00 0.00 C ATOM 31 O VAL A 3 -3.239 -3.018 -4.397 1.00 0.00 O ATOM 32 CB VAL A 3 -2.413 -3.609 -1.475 1.00 0.00 C ATOM 33 CG1 VAL A 3 -3.900 -3.857 -1.678 1.00 0.00 C ATOM 34 CG2 VAL A 3 -1.858 -4.513 -0.384 1.00 0.00 C ATOM 0 H VAL A 3 0.055 -3.107 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.814 -4.837 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.281 -2.574 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.426 -3.703 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.285 -3.165 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.055 -4.881 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.413 -4.351 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.958 -5.555 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.805 -4.282 -0.220 1.00 0.00 H new ATOM 44 N ASP A 4 -1.383 -1.785 -4.083 1.00 0.00 N ATOM 45 CA ASP A 4 -1.761 -0.768 -5.058 1.00 0.00 C ATOM 46 C ASP A 4 -1.853 -1.366 -6.458 1.00 0.00 C ATOM 47 O ASP A 4 -2.860 -1.230 -7.153 1.00 0.00 O ATOM 48 CB ASP A 4 -0.752 0.381 -5.045 1.00 0.00 C ATOM 49 CG ASP A 4 -0.680 1.103 -6.376 1.00 0.00 C ATOM 50 OD1 ASP A 4 -1.749 1.416 -6.940 1.00 0.00 O ATOM 51 OD2 ASP A 4 0.446 1.356 -6.853 1.00 0.00 O ATOM 0 H ASP A 4 -0.488 -1.617 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.742 -0.382 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.024 1.091 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.234 -0.008 -4.792 1.00 0.00 H new ATOM 56 N PRO A 5 -0.776 -2.042 -6.885 1.00 0.00 N ATOM 57 CA PRO A 5 -0.710 -2.674 -8.206 1.00 0.00 C ATOM 58 C PRO A 5 -1.635 -3.880 -8.319 1.00 0.00 C ATOM 59 O PRO A 5 -1.793 -4.456 -9.396 1.00 0.00 O ATOM 60 CB PRO A 5 0.753 -3.109 -8.319 1.00 0.00 C ATOM 61 CG PRO A 5 1.209 -3.273 -6.911 1.00 0.00 C ATOM 62 CD PRO A 5 0.460 -2.244 -6.110 1.00 0.00 C ATOM 0 HA PRO A 5 -1.030 -1.997 -8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.847 -4.041 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.349 -2.362 -8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.999 -4.279 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.286 -3.123 -6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.248 -2.597 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.029 -1.319 -6.012 1.00 0.00 H new ATOM 70 N PHE A 6 -2.246 -4.259 -7.201 1.00 0.00 N ATOM 71 CA PHE A 6 -3.156 -5.398 -7.175 1.00 0.00 C ATOM 72 C PHE A 6 -4.606 -4.934 -7.079 1.00 0.00 C ATOM 73 O PHE A 6 -5.535 -5.732 -7.208 1.00 0.00 O ATOM 74 CB PHE A 6 -2.823 -6.316 -5.996 1.00 0.00 C ATOM 75 CG PHE A 6 -2.000 -7.512 -6.382 1.00 0.00 C ATOM 76 CD1 PHE A 6 -2.607 -8.664 -6.853 1.00 0.00 C ATOM 77 CD2 PHE A 6 -0.619 -7.483 -6.272 1.00 0.00 C ATOM 78 CE1 PHE A 6 -1.852 -9.767 -7.208 1.00 0.00 C ATOM 79 CE2 PHE A 6 0.141 -8.581 -6.627 1.00 0.00 C ATOM 80 CZ PHE A 6 -0.476 -9.725 -7.094 1.00 0.00 C ATOM 0 H PHE A 6 -2.127 -3.794 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.032 -5.952 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.285 -5.743 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.751 -6.656 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.682 -8.702 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.131 -6.592 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.337 -10.660 -7.574 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.217 -8.545 -6.539 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.116 -10.585 -7.370 1.00 0.00 H new ATOM 90 N TYR A 7 -4.792 -3.639 -6.851 1.00 0.00 N ATOM 91 CA TYR A 7 -6.129 -3.068 -6.734 1.00 0.00 C ATOM 92 C TYR A 7 -6.934 -3.300 -8.009 1.00 0.00 C ATOM 93 O TYR A 7 -8.032 -3.854 -7.970 1.00 0.00 O ATOM 94 CB TYR A 7 -6.042 -1.569 -6.438 1.00 0.00 C ATOM 95 CG TYR A 7 -6.186 -1.233 -4.971 1.00 0.00 C ATOM 96 CD1 TYR A 7 -7.157 -1.846 -4.189 1.00 0.00 C ATOM 97 CD2 TYR A 7 -5.352 -0.300 -4.367 1.00 0.00 C ATOM 98 CE1 TYR A 7 -7.293 -1.541 -2.849 1.00 0.00 C ATOM 99 CE2 TYR A 7 -5.480 0.010 -3.027 1.00 0.00 C ATOM 100 CZ TYR A 7 -6.452 -0.613 -2.272 1.00 0.00 C ATOM 101 OH TYR A 7 -6.583 -0.306 -0.937 1.00 0.00 O ATOM 0 H TYR A 7 -4.034 -2.965 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.638 -3.566 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.084 -1.191 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.819 -1.051 -6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.817 -2.574 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.591 0.191 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.054 -2.027 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.822 0.736 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.913 0.365 -0.688 1.00 0.00 H new ATOM 111 N GLU A 8 -6.378 -2.872 -9.138 1.00 0.00 N ATOM 112 CA GLU A 8 -7.043 -3.033 -10.426 1.00 0.00 C ATOM 113 C GLU A 8 -7.300 -4.507 -10.725 1.00 0.00 C ATOM 114 O GLU A 8 -8.161 -4.845 -11.536 1.00 0.00 O ATOM 115 CB GLU A 8 -6.199 -2.414 -11.542 1.00 0.00 C ATOM 116 CG GLU A 8 -4.936 -3.198 -11.856 1.00 0.00 C ATOM 117 CD GLU A 8 -3.799 -2.310 -12.320 1.00 0.00 C ATOM 118 OE1 GLU A 8 -4.032 -1.464 -13.209 1.00 0.00 O ATOM 119 OE2 GLU A 8 -2.675 -2.460 -11.796 1.00 0.00 O ATOM 0 H GLU A 8 -5.469 -2.411 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.002 -2.517 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.804 -2.340 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.925 -1.398 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.624 -3.748 -10.968 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.154 -3.936 -12.628 1.00 0.00 H new ATOM 126 N MET A 9 -6.546 -5.379 -10.063 1.00 0.00 N ATOM 127 CA MET A 9 -6.692 -6.817 -10.258 1.00 0.00 C ATOM 128 C MET A 9 -7.861 -7.360 -9.441 1.00 0.00 C ATOM 129 O MET A 9 -8.837 -7.866 -9.996 1.00 0.00 O ATOM 130 CB MET A 9 -5.402 -7.540 -9.867 1.00 0.00 C ATOM 131 CG MET A 9 -4.141 -6.801 -10.284 1.00 0.00 C ATOM 132 SD MET A 9 -4.031 -6.568 -12.069 1.00 0.00 S ATOM 133 CE MET A 9 -2.348 -5.976 -12.230 1.00 0.00 C ATOM 0 H MET A 9 -5.829 -5.115 -9.388 1.00 0.00 H new ATOM 0 HA MET A 9 -6.895 -6.997 -11.314 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.389 -7.683 -8.787 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.399 -8.531 -10.320 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.115 -5.829 -9.792 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.268 -7.356 -9.939 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.853 -6.503 -13.046 1.00 0.00 H new ATOM 0 HE2 MET A 9 -2.357 -4.907 -12.441 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.808 -6.158 -11.301 1.00 0.00 H new ATOM 143 N LEU A 10 -7.755 -7.252 -8.121 1.00 0.00 N ATOM 144 CA LEU A 10 -8.803 -7.732 -7.228 1.00 0.00 C ATOM 145 C LEU A 10 -10.114 -6.995 -7.480 1.00 0.00 C ATOM 146 O LEU A 10 -11.179 -7.607 -7.548 1.00 0.00 O ATOM 147 CB LEU A 10 -8.378 -7.556 -5.769 1.00 0.00 C ATOM 148 CG LEU A 10 -6.984 -8.072 -5.409 1.00 0.00 C ATOM 149 CD1 LEU A 10 -6.370 -7.226 -4.304 1.00 0.00 C ATOM 150 CD2 LEU A 10 -7.048 -9.533 -4.991 1.00 0.00 C ATOM 0 H LEU A 10 -6.954 -6.836 -7.646 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.959 -8.792 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.426 -6.495 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.106 -8.063 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.350 -7.995 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.378 -7.608 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.288 -6.192 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.003 -7.270 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.047 -9.883 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.698 -9.635 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.445 -10.129 -5.813 1.00 0.00 H new ATOM 162 N ALA A 11 -10.028 -5.676 -7.619 1.00 0.00 N ATOM 163 CA ALA A 11 -11.206 -4.855 -7.868 1.00 0.00 C ATOM 164 C ALA A 11 -11.784 -5.130 -9.252 1.00 0.00 C ATOM 165 O ALA A 11 -12.865 -5.704 -9.381 1.00 0.00 O ATOM 166 CB ALA A 11 -10.863 -3.380 -7.722 1.00 0.00 C ATOM 0 H ALA A 11 -9.154 -5.153 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.962 -5.116 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.753 -2.779 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.504 -3.188 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.087 -3.114 -8.439 1.00 0.00 H new ATOM 172 N ALA A 12 -11.058 -4.717 -10.285 1.00 0.00 N ATOM 173 CA ALA A 12 -11.498 -4.920 -11.660 1.00 0.00 C ATOM 174 C ALA A 12 -11.343 -6.379 -12.076 1.00 0.00 C ATOM 175 O ALA A 12 -10.229 -6.895 -12.159 1.00 0.00 O ATOM 176 CB ALA A 12 -10.720 -4.015 -12.603 1.00 0.00 C ATOM 0 H ALA A 12 -10.161 -4.239 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.556 -4.663 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.059 -4.178 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.886 -2.974 -12.327 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.657 -4.244 -12.533 1.00 0.00 H new ATOM 182 N ARG A 13 -12.467 -7.038 -12.336 1.00 0.00 N ATOM 183 CA ARG A 13 -12.456 -8.438 -12.741 1.00 0.00 C ATOM 184 C ARG A 13 -12.152 -8.571 -14.230 1.00 0.00 C ATOM 185 O ARG A 13 -12.138 -9.674 -14.777 1.00 0.00 O ATOM 186 CB ARG A 13 -13.801 -9.094 -12.423 1.00 0.00 C ATOM 187 CG ARG A 13 -13.765 -9.996 -11.200 1.00 0.00 C ATOM 188 CD ARG A 13 -13.584 -9.194 -9.921 1.00 0.00 C ATOM 189 NE ARG A 13 -13.180 -10.037 -8.799 1.00 0.00 N ATOM 190 CZ ARG A 13 -11.981 -10.599 -8.697 1.00 0.00 C ATOM 191 NH1 ARG A 13 -11.073 -10.409 -9.645 1.00 0.00 N ATOM 192 NH2 ARG A 13 -11.688 -11.353 -7.645 1.00 0.00 N ATOM 0 H ARG A 13 -13.397 -6.625 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.671 -8.946 -12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.548 -8.315 -12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.124 -9.678 -13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.690 -10.570 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.950 -10.713 -11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.833 -8.420 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.517 -8.687 -9.676 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.855 -10.203 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.295 -9.830 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.153 -10.842 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.384 -11.501 -6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.767 -11.784 -7.567 1.00 0.00 H new ATOM 206 N LYS A 14 -11.911 -7.438 -14.882 1.00 0.00 N ATOM 207 CA LYS A 14 -11.607 -7.426 -16.308 1.00 0.00 C ATOM 208 C LYS A 14 -10.314 -8.183 -16.596 1.00 0.00 C ATOM 209 O LYS A 14 -10.043 -8.559 -17.737 1.00 0.00 O ATOM 210 CB LYS A 14 -11.490 -5.986 -16.813 1.00 0.00 C ATOM 211 CG LYS A 14 -10.456 -5.162 -16.066 1.00 0.00 C ATOM 212 CD LYS A 14 -9.096 -5.227 -16.741 1.00 0.00 C ATOM 213 CE LYS A 14 -7.966 -5.181 -15.724 1.00 0.00 C ATOM 214 NZ LYS A 14 -6.832 -4.338 -16.193 1.00 0.00 N ATOM 0 H LYS A 14 -11.920 -6.516 -14.445 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.423 -7.924 -16.832 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.234 -6.001 -17.872 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.462 -5.499 -16.727 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.787 -4.125 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.372 -5.524 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.023 -6.143 -17.327 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.994 -4.395 -17.437 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.343 -4.789 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.610 -6.193 -15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.082 -4.332 -15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.455 -4.726 -17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.165 -3.366 -16.354 1.00 0.00 H new ATOM 228 N LYS A 15 -9.520 -8.406 -15.554 1.00 0.00 N ATOM 229 CA LYS A 15 -8.257 -9.122 -15.693 1.00 0.00 C ATOM 230 C LYS A 15 -8.487 -10.532 -16.227 1.00 0.00 C ATOM 231 O LYS A 15 -8.040 -10.871 -17.323 1.00 0.00 O ATOM 232 CB LYS A 15 -7.533 -9.186 -14.347 1.00 0.00 C ATOM 233 CG LYS A 15 -6.213 -9.936 -14.401 1.00 0.00 C ATOM 234 CD LYS A 15 -6.154 -11.036 -13.354 1.00 0.00 C ATOM 235 CE LYS A 15 -5.729 -10.493 -11.999 1.00 0.00 C ATOM 236 NZ LYS A 15 -5.755 -11.546 -10.946 1.00 0.00 N ATOM 0 H LYS A 15 -9.729 -8.101 -14.603 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.637 -8.579 -16.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.350 -8.171 -13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.184 -9.666 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.079 -10.369 -15.393 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.390 -9.238 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.132 -11.510 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.453 -11.807 -13.674 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.724 -10.078 -12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.390 -9.676 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.459 -11.136 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.720 -11.924 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.105 -12.314 -11.207 1.00 0.00 H new ATOM 250 N ARG A 16 -9.186 -11.349 -15.446 1.00 0.00 N ATOM 251 CA ARG A 16 -9.475 -12.722 -15.841 1.00 0.00 C ATOM 252 C ARG A 16 -10.285 -12.757 -17.133 1.00 0.00 C ATOM 253 O ARG A 16 -10.331 -13.778 -17.821 1.00 0.00 O ATOM 254 CB ARG A 16 -10.237 -13.446 -14.729 1.00 0.00 C ATOM 255 CG ARG A 16 -11.688 -13.011 -14.602 1.00 0.00 C ATOM 256 CD ARG A 16 -12.278 -13.423 -13.263 1.00 0.00 C ATOM 257 NE ARG A 16 -13.679 -13.818 -13.380 1.00 0.00 N ATOM 258 CZ ARG A 16 -14.080 -14.936 -13.974 1.00 0.00 C ATOM 259 NH1 ARG A 16 -13.191 -15.766 -14.502 1.00 0.00 N ATOM 260 NH2 ARG A 16 -15.373 -15.226 -14.041 1.00 0.00 N ATOM 0 H ARG A 16 -9.563 -11.084 -14.536 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.527 -13.231 -16.013 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.203 -14.519 -14.916 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.730 -13.272 -13.780 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.756 -11.929 -14.713 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.273 -13.451 -15.409 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.701 -14.252 -12.852 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.192 -12.595 -12.559 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.388 -13.201 -12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.196 -15.547 -14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.502 -16.624 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.060 -14.590 -13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.680 -16.085 -14.497 1.00 0.00 H new ATOM 274 N ILE A 17 -10.923 -11.638 -17.456 1.00 0.00 N ATOM 275 CA ILE A 17 -11.731 -11.541 -18.666 1.00 0.00 C ATOM 276 C ILE A 17 -10.858 -11.286 -19.890 1.00 0.00 C ATOM 277 O ILE A 17 -11.100 -11.839 -20.963 1.00 0.00 O ATOM 278 CB ILE A 17 -12.779 -10.418 -18.554 1.00 0.00 C ATOM 279 CG1 ILE A 17 -13.700 -10.667 -17.358 1.00 0.00 C ATOM 280 CG2 ILE A 17 -13.588 -10.319 -19.839 1.00 0.00 C ATOM 281 CD1 ILE A 17 -14.592 -9.491 -17.026 1.00 0.00 C ATOM 0 H ILE A 17 -10.896 -10.785 -16.897 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.244 -12.496 -18.781 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.260 -9.472 -18.399 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.322 -11.538 -17.564 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.092 -10.909 -16.486 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -14.325 -9.521 -19.745 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.921 -10.100 -20.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -14.099 -11.265 -20.021 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.217 -9.739 -16.168 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.977 -8.623 -16.788 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.226 -9.262 -17.883 1.00 0.00 H new ATOM 293 N SER A 18 -9.842 -10.447 -19.722 1.00 0.00 N ATOM 294 CA SER A 18 -8.933 -10.117 -20.814 1.00 0.00 C ATOM 295 C SER A 18 -7.882 -11.208 -20.994 1.00 0.00 C ATOM 296 O SER A 18 -7.000 -11.102 -21.847 1.00 0.00 O ATOM 297 CB SER A 18 -8.251 -8.774 -20.550 1.00 0.00 C ATOM 298 OG SER A 18 -7.590 -8.301 -21.710 1.00 0.00 O ATOM 0 H SER A 18 -9.627 -9.983 -18.840 1.00 0.00 H new ATOM 0 HA SER A 18 -9.517 -10.045 -21.731 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.993 -8.043 -20.227 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.533 -8.881 -19.737 1.00 0.00 H new ATOM 0 HG SER A 18 -7.158 -9.051 -22.169 1.00 0.00 H new ATOM 304 N VAL A 19 -7.983 -12.258 -20.185 1.00 0.00 N ATOM 305 CA VAL A 19 -7.043 -13.370 -20.255 1.00 0.00 C ATOM 306 C VAL A 19 -7.054 -14.013 -21.637 1.00 0.00 C ATOM 307 O VAL A 19 -8.108 -14.170 -22.253 1.00 0.00 O ATOM 308 CB VAL A 19 -7.364 -14.444 -19.199 1.00 0.00 C ATOM 309 CG1 VAL A 19 -8.602 -15.232 -19.598 1.00 0.00 C ATOM 310 CG2 VAL A 19 -6.173 -15.370 -19.002 1.00 0.00 C ATOM 0 H VAL A 19 -8.707 -12.362 -19.474 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.053 -12.960 -20.056 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.569 -13.947 -18.251 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.813 -15.986 -18.840 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.452 -14.555 -19.683 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.429 -15.720 -20.557 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.417 -16.123 -18.252 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.934 -15.861 -19.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.313 -14.790 -18.667 1.00 0.00 H new