USER MOD reduce.3.24.130724 H: found=0, std=0, add=156, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 156 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 LYS N :NH3+ -130:sc= -0.0304 (180deg=-2.21!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.344 4.314 2.256 1.00 0.00 N ATOM 2 CA LYS A 1 -6.402 3.812 3.657 1.00 0.00 C ATOM 3 C LYS A 1 -6.808 2.355 3.711 1.00 0.00 C ATOM 4 O LYS A 1 -6.433 1.618 4.620 1.00 0.00 O ATOM 5 CB LYS A 1 -7.398 4.657 4.450 1.00 0.00 C ATOM 6 CG LYS A 1 -8.824 4.603 3.919 1.00 0.00 C ATOM 7 CD LYS A 1 -9.464 5.983 3.896 1.00 0.00 C ATOM 8 CE LYS A 1 -10.821 5.958 3.212 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.891 5.457 4.117 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.436 4.797 2.097 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.431 3.514 1.597 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.124 4.982 2.094 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.406 3.894 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.396 4.323 5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.061 5.693 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.823 4.185 2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.420 3.935 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.577 6.350 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.807 6.681 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.074 6.962 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.769 5.325 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.800 5.456 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.663 4.489 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.959 6.076 4.950 1.00 0.00 H new ATOM 25 N TRP A 2 -7.628 1.979 2.766 1.00 0.00 N ATOM 26 CA TRP A 2 -8.181 0.634 2.716 1.00 0.00 C ATOM 27 C TRP A 2 -7.286 -0.530 2.218 1.00 0.00 C ATOM 28 O TRP A 2 -6.444 -1.022 2.968 1.00 0.00 O ATOM 29 CB TRP A 2 -9.521 0.629 1.999 1.00 0.00 C ATOM 30 CG TRP A 2 -9.665 1.785 1.114 1.00 0.00 C ATOM 31 CD1 TRP A 2 -10.739 2.532 0.921 1.00 0.00 C ATOM 32 CD2 TRP A 2 -8.634 2.340 0.363 1.00 0.00 C ATOM 33 NE1 TRP A 2 -10.461 3.524 0.006 1.00 0.00 N ATOM 34 CE2 TRP A 2 -9.142 3.421 -0.345 1.00 0.00 C ATOM 35 CE3 TRP A 2 -7.327 1.983 0.238 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -8.347 4.172 -1.204 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -6.529 2.706 -0.582 1.00 0.00 C ATOM 38 CH2 TRP A 2 -7.030 3.797 -1.311 1.00 0.00 C ATOM 0 H TRP A 2 -7.936 2.587 2.007 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.286 0.396 3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.620 -0.288 1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.327 0.630 2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -11.692 2.386 1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -11.123 4.215 -0.348 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -6.933 1.138 0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -8.745 5.008 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -5.487 2.439 -0.678 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -6.371 4.349 -1.965 1.00 0.00 H new ATOM 49 N LYS A 3 -7.526 -1.028 0.984 1.00 0.00 N ATOM 50 CA LYS A 3 -6.802 -2.193 0.464 1.00 0.00 C ATOM 51 C LYS A 3 -5.545 -1.818 -0.259 1.00 0.00 C ATOM 52 O LYS A 3 -4.679 -2.648 -0.528 1.00 0.00 O ATOM 53 CB LYS A 3 -7.706 -3.019 -0.454 1.00 0.00 C ATOM 54 CG LYS A 3 -8.939 -3.571 0.243 1.00 0.00 C ATOM 55 CD LYS A 3 -8.605 -4.807 1.061 1.00 0.00 C ATOM 56 CE LYS A 3 -9.856 -5.440 1.652 1.00 0.00 C ATOM 57 NZ LYS A 3 -10.113 -6.793 1.085 1.00 0.00 N ATOM 0 H LYS A 3 -8.213 -0.639 0.338 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.511 -2.792 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.020 -2.399 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.131 -3.848 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.365 -2.806 0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.699 -3.818 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.091 -5.533 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.918 -4.539 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.749 -5.514 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.714 -4.796 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.973 -7.191 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.240 -6.720 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.305 -7.415 1.290 1.00 0.00 H new ATOM 71 N LEU A 4 -5.446 -0.568 -0.533 1.00 0.00 N ATOM 72 CA LEU A 4 -4.280 -0.036 -1.184 1.00 0.00 C ATOM 73 C LEU A 4 -3.362 0.561 -0.142 1.00 0.00 C ATOM 74 O LEU A 4 -2.146 0.569 -0.310 1.00 0.00 O ATOM 75 CB LEU A 4 -4.643 1.005 -2.201 1.00 0.00 C ATOM 76 CG LEU A 4 -4.312 0.653 -3.652 1.00 0.00 C ATOM 77 CD1 LEU A 4 -5.445 -0.140 -4.283 1.00 0.00 C ATOM 78 CD2 LEU A 4 -4.028 1.914 -4.455 1.00 0.00 C ATOM 0 H LEU A 4 -6.164 0.124 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.776 -0.848 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.713 1.201 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.131 1.932 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.416 0.032 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.190 -0.381 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.600 -1.062 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.359 0.453 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.794 1.645 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.905 2.561 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.181 2.441 -4.017 1.00 0.00 H new ATOM 90 N PHE A 5 -3.941 1.006 0.979 1.00 0.00 N ATOM 91 CA PHE A 5 -3.134 1.535 2.058 1.00 0.00 C ATOM 92 C PHE A 5 -2.262 0.416 2.554 1.00 0.00 C ATOM 93 O PHE A 5 -1.188 0.620 3.121 1.00 0.00 O ATOM 94 CB PHE A 5 -4.006 2.062 3.183 1.00 0.00 C ATOM 95 CG PHE A 5 -3.208 2.638 4.320 1.00 0.00 C ATOM 96 CD1 PHE A 5 -2.880 1.866 5.422 1.00 0.00 C ATOM 97 CD2 PHE A 5 -2.754 3.945 4.263 1.00 0.00 C ATOM 98 CE1 PHE A 5 -2.112 2.389 6.447 1.00 0.00 C ATOM 99 CE2 PHE A 5 -1.991 4.476 5.285 1.00 0.00 C ATOM 100 CZ PHE A 5 -1.668 3.697 6.379 1.00 0.00 C ATOM 0 H PHE A 5 -4.946 1.007 1.151 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.530 2.370 1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.674 2.828 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.634 1.254 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.227 0.845 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.000 4.557 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.859 1.776 7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.648 5.498 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.070 4.108 7.179 1.00 0.00 H new ATOM 110 N LYS A 6 -2.739 -0.779 2.265 1.00 0.00 N ATOM 111 CA LYS A 6 -2.051 -1.982 2.596 1.00 0.00 C ATOM 112 C LYS A 6 -1.087 -2.299 1.466 1.00 0.00 C ATOM 113 O LYS A 6 -0.031 -2.893 1.682 1.00 0.00 O ATOM 114 CB LYS A 6 -3.051 -3.116 2.838 1.00 0.00 C ATOM 115 CG LYS A 6 -3.628 -3.731 1.576 1.00 0.00 C ATOM 116 CD LYS A 6 -3.661 -5.249 1.658 1.00 0.00 C ATOM 117 CE LYS A 6 -2.263 -5.841 1.596 1.00 0.00 C ATOM 118 NZ LYS A 6 -2.198 -7.020 0.687 1.00 0.00 N ATOM 0 H LYS A 6 -3.628 -0.929 1.787 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.485 -1.863 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.559 -3.899 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.870 -2.736 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.637 -3.353 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.032 -3.425 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.145 -5.554 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.262 -5.646 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.561 -5.080 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.949 -6.137 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.228 -7.394 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.848 -7.757 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.472 -6.733 -0.274 1.00 0.00 H new ATOM 132 N LYS A 7 -1.438 -1.846 0.252 1.00 0.00 N ATOM 133 CA LYS A 7 -0.571 -2.041 -0.889 1.00 0.00 C ATOM 134 C LYS A 7 0.435 -0.920 -0.952 1.00 0.00 C ATOM 135 O LYS A 7 1.374 -0.955 -1.746 1.00 0.00 O ATOM 136 CB LYS A 7 -1.374 -2.121 -2.189 1.00 0.00 C ATOM 137 CG LYS A 7 -0.927 -3.241 -3.114 1.00 0.00 C ATOM 138 CD LYS A 7 0.209 -2.796 -4.021 1.00 0.00 C ATOM 139 CE LYS A 7 -0.230 -1.682 -4.956 1.00 0.00 C ATOM 140 NZ LYS A 7 0.603 -1.626 -6.189 1.00 0.00 N ATOM 0 H LYS A 7 -2.307 -1.351 0.050 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.046 -2.989 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.428 -2.260 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.291 -1.171 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.606 -4.097 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.770 -3.571 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.048 -2.454 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.563 -3.645 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.274 -1.830 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.170 -0.727 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.269 -0.852 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.596 -1.459 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.526 -2.528 -6.701 1.00 0.00 H new ATOM 154 N ILE A 8 0.242 0.075 -0.096 1.00 0.00 N ATOM 155 CA ILE A 8 1.147 1.195 -0.065 1.00 0.00 C ATOM 156 C ILE A 8 2.211 1.006 0.999 1.00 0.00 C ATOM 157 O ILE A 8 3.359 1.420 0.835 1.00 0.00 O ATOM 158 CB ILE A 8 0.391 2.524 0.158 1.00 0.00 C ATOM 159 CG1 ILE A 8 -0.378 2.910 -1.106 1.00 0.00 C ATOM 160 CG2 ILE A 8 1.351 3.637 0.562 1.00 0.00 C ATOM 161 CD1 ILE A 8 -1.398 4.002 -0.878 1.00 0.00 C ATOM 0 H ILE A 8 -0.525 0.122 0.574 1.00 0.00 H new ATOM 0 HA ILE A 8 1.638 1.245 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.320 2.383 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.330 3.238 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.883 2.028 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.794 4.561 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.857 3.363 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.090 3.783 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.907 4.226 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.128 3.670 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.896 4.898 -0.514 1.00 0.00 H new ATOM 173 N GLY A 9 1.821 0.359 2.075 1.00 0.00 N ATOM 174 CA GLY A 9 2.748 0.094 3.151 1.00 0.00 C ATOM 175 C GLY A 9 3.853 -0.836 2.703 1.00 0.00 C ATOM 176 O GLY A 9 5.012 -0.694 3.097 1.00 0.00 O ATOM 0 H GLY A 9 0.875 0.009 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.178 1.031 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.215 -0.348 3.993 1.00 0.00 H new ATOM 180 N ALA A 10 3.512 -1.791 1.856 1.00 0.00 N ATOM 181 CA ALA A 10 4.512 -2.710 1.372 1.00 0.00 C ATOM 182 C ALA A 10 5.386 -2.036 0.345 1.00 0.00 C ATOM 183 O ALA A 10 6.588 -2.280 0.299 1.00 0.00 O ATOM 184 CB ALA A 10 3.893 -3.979 0.813 1.00 0.00 C ATOM 0 H ALA A 10 2.569 -1.945 1.498 1.00 0.00 H new ATOM 0 HA ALA A 10 5.131 -3.005 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.682 -4.643 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.320 -4.479 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.232 -3.727 -0.016 1.00 0.00 H new ATOM 190 N VAL A 11 4.807 -1.143 -0.450 1.00 0.00 N ATOM 191 CA VAL A 11 5.613 -0.417 -1.412 1.00 0.00 C ATOM 192 C VAL A 11 6.731 0.270 -0.646 1.00 0.00 C ATOM 193 O VAL A 11 7.850 0.421 -1.135 1.00 0.00 O ATOM 194 CB VAL A 11 4.801 0.621 -2.199 1.00 0.00 C ATOM 195 CG1 VAL A 11 5.697 1.368 -3.172 1.00 0.00 C ATOM 196 CG2 VAL A 11 3.648 -0.050 -2.924 1.00 0.00 C ATOM 0 H VAL A 11 3.813 -0.912 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 11 6.004 -1.121 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 11 4.385 1.346 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.106 2.100 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.486 1.879 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.143 0.661 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.081 0.699 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.038 -0.795 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.995 -0.536 -2.199 1.00 0.00 H new ATOM 206 N LEU A 12 6.413 0.617 0.598 1.00 0.00 N ATOM 207 CA LEU A 12 7.369 1.215 1.509 1.00 0.00 C ATOM 208 C LEU A 12 8.599 0.329 1.561 1.00 0.00 C ATOM 209 O LEU A 12 9.733 0.794 1.679 1.00 0.00 O ATOM 210 CB LEU A 12 6.748 1.280 2.901 1.00 0.00 C ATOM 211 CG LEU A 12 7.604 1.962 3.971 1.00 0.00 C ATOM 212 CD1 LEU A 12 6.853 3.134 4.590 1.00 0.00 C ATOM 213 CD2 LEU A 12 8.013 0.963 5.045 1.00 0.00 C ATOM 0 H LEU A 12 5.483 0.489 0.998 1.00 0.00 H new ATOM 0 HA LEU A 12 7.637 2.217 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.796 1.807 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.527 0.264 3.230 1.00 0.00 H new ATOM 0 HG LEU A 12 8.507 2.345 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.477 3.606 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.611 3.861 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.933 2.774 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.621 1.466 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.121 0.550 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.590 0.157 4.592 1.00 0.00 H new ATOM 225 N LYS A 13 8.330 -0.965 1.455 1.00 0.00 N ATOM 226 CA LYS A 13 9.359 -1.988 1.473 1.00 0.00 C ATOM 227 C LYS A 13 10.036 -2.069 0.117 1.00 0.00 C ATOM 228 O LYS A 13 11.250 -2.240 0.011 1.00 0.00 O ATOM 229 CB LYS A 13 8.733 -3.339 1.808 1.00 0.00 C ATOM 230 CG LYS A 13 9.750 -4.447 2.027 1.00 0.00 C ATOM 231 CD LYS A 13 10.286 -4.438 3.450 1.00 0.00 C ATOM 232 CE LYS A 13 10.971 -5.750 3.797 1.00 0.00 C ATOM 233 NZ LYS A 13 12.453 -5.606 3.854 1.00 0.00 N ATOM 0 H LYS A 13 7.384 -1.334 1.354 1.00 0.00 H new ATOM 0 HA LYS A 13 10.101 -1.731 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.124 -3.234 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.062 -3.629 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.289 -5.412 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.576 -4.328 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.992 -3.616 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.467 -4.259 4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.604 -6.108 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.708 -6.504 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.882 -6.523 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.807 -5.289 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.706 -4.905 4.580 1.00 0.00 H new ATOM 247 N VAL A 14 9.218 -1.941 -0.915 1.00 0.00 N ATOM 248 CA VAL A 14 9.678 -1.990 -2.284 1.00 0.00 C ATOM 249 C VAL A 14 10.401 -0.699 -2.659 1.00 0.00 C ATOM 250 O VAL A 14 11.020 -0.596 -3.719 1.00 0.00 O ATOM 251 CB VAL A 14 8.475 -2.226 -3.221 1.00 0.00 C ATOM 252 CG1 VAL A 14 8.723 -1.670 -4.619 1.00 0.00 C ATOM 253 CG2 VAL A 14 8.137 -3.707 -3.286 1.00 0.00 C ATOM 0 H VAL A 14 8.212 -1.800 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 14 10.385 -2.813 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 14 7.624 -1.687 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.851 -1.858 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.901 -0.596 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.595 -2.158 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.286 -3.857 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.996 -4.260 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.886 -4.067 -2.288 1.00 0.00 H new ATOM 263 N LEU A 15 10.306 0.279 -1.774 1.00 0.00 N ATOM 264 CA LEU A 15 10.925 1.577 -1.973 1.00 0.00 C ATOM 265 C LEU A 15 12.423 1.526 -1.681 1.00 0.00 C ATOM 266 O LEU A 15 13.196 2.142 -2.446 1.00 0.00 O ATOM 267 CB LEU A 15 10.240 2.594 -1.065 1.00 0.00 C ATOM 268 CG LEU A 15 9.857 3.913 -1.738 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.847 3.672 -2.848 1.00 0.00 C ATOM 270 CD2 LEU A 15 9.302 4.891 -0.713 1.00 0.00 C ATOM 271 OXT LEU A 15 12.810 0.875 -0.688 1.00 0.00 O ATOM 0 H LEU A 15 9.796 0.194 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 15 10.806 1.872 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.339 2.140 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.901 2.811 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 15 10.754 4.348 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.586 4.622 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.279 3.007 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.950 3.215 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.034 5.824 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.417 4.463 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.057 5.088 0.048 1.00 0.00 H new TER 283 LEU A 15