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+ 139:sc= -0.807! (180deg=-1.3!) 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 -5.305 3.943 4.927 1.00 0.00 N ATOM 2 CA LYS A 1 -6.449 3.567 4.046 1.00 0.00 C ATOM 3 C LYS A 1 -6.740 2.066 4.105 1.00 0.00 C ATOM 4 O LYS A 1 -6.217 1.354 4.963 1.00 0.00 O ATOM 5 CB LYS A 1 -6.142 4.000 2.606 1.00 0.00 C ATOM 6 CG LYS A 1 -7.278 4.762 1.946 1.00 0.00 C ATOM 7 CD LYS A 1 -7.640 6.016 2.727 1.00 0.00 C ATOM 8 CE LYS A 1 -9.029 5.912 3.339 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.098 6.160 2.333 1.00 0.00 N ATOM 0 H1 LYS A 1 -4.706 4.639 4.440 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.668 4.356 5.810 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.743 3.096 5.147 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.342 4.081 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.248 4.624 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.914 3.116 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.992 5.035 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.153 4.116 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.905 6.179 3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.596 6.882 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.161 4.921 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.122 6.631 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.029 6.080 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.987 7.115 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.025 5.458 1.569 1.00 0.00 H new ATOM 25 N TRP A 2 -7.625 1.609 3.227 1.00 0.00 N ATOM 26 CA TRP A 2 -8.066 0.211 3.212 1.00 0.00 C ATOM 27 C TRP A 2 -7.109 -0.877 2.662 1.00 0.00 C ATOM 28 O TRP A 2 -6.180 -1.287 3.358 1.00 0.00 O ATOM 29 CB TRP A 2 -9.442 0.085 2.576 1.00 0.00 C ATOM 30 CG TRP A 2 -9.741 1.210 1.693 1.00 0.00 C ATOM 31 CD1 TRP A 2 -10.894 1.845 1.555 1.00 0.00 C ATOM 32 CD2 TRP A 2 -8.814 1.850 0.883 1.00 0.00 C ATOM 33 NE1 TRP A 2 -10.765 2.847 0.621 1.00 0.00 N ATOM 34 CE2 TRP A 2 -9.462 2.868 0.198 1.00 0.00 C ATOM 35 CE3 TRP A 2 -7.486 1.618 0.690 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -8.791 3.683 -0.709 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -6.809 2.406 -0.177 1.00 0.00 C ATOM 38 CH2 TRP A 2 -7.452 3.437 -0.884 1.00 0.00 C ATOM 0 H TRP A 2 -8.057 2.189 2.508 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.085 -0.024 4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.496 -0.845 2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.199 0.027 3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -11.800 1.612 2.095 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -11.509 3.466 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -6.983 0.821 1.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -9.298 4.469 -1.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -5.753 2.239 -0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -6.885 4.044 -1.574 1.00 0.00 H new ATOM 49 N LYS A 3 -7.390 -1.411 1.451 1.00 0.00 N ATOM 50 CA LYS A 3 -6.607 -2.519 0.892 1.00 0.00 C ATOM 51 C LYS A 3 -5.460 -2.053 0.048 1.00 0.00 C ATOM 52 O LYS A 3 -4.577 -2.821 -0.327 1.00 0.00 O ATOM 53 CB LYS A 3 -7.508 -3.462 0.091 1.00 0.00 C ATOM 54 CG LYS A 3 -7.983 -4.668 0.885 1.00 0.00 C ATOM 55 CD LYS A 3 -9.344 -5.147 0.411 1.00 0.00 C ATOM 56 CE LYS A 3 -10.136 -5.783 1.542 1.00 0.00 C ATOM 57 NZ LYS A 3 -10.961 -6.929 1.068 1.00 0.00 N ATOM 0 H LYS A 3 -8.150 -1.090 0.851 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.180 -3.058 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.376 -2.907 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.967 -3.807 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.258 -5.476 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.035 -4.411 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.904 -4.307 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.216 -5.869 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.450 -6.126 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.783 -5.034 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.485 -7.334 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.633 -6.598 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.342 -7.656 0.656 1.00 0.00 H new ATOM 71 N LEU A 4 -5.454 -0.793 -0.195 1.00 0.00 N ATOM 72 CA LEU A 4 -4.387 -0.184 -0.933 1.00 0.00 C ATOM 73 C LEU A 4 -3.423 0.432 0.054 1.00 0.00 C ATOM 74 O LEU A 4 -2.229 0.523 -0.206 1.00 0.00 O ATOM 75 CB LEU A 4 -4.894 0.857 -1.883 1.00 0.00 C ATOM 76 CG LEU A 4 -4.670 0.561 -3.368 1.00 0.00 C ATOM 77 CD1 LEU A 4 -6.000 0.462 -4.102 1.00 0.00 C ATOM 78 CD2 LEU A 4 -3.789 1.628 -4.002 1.00 0.00 C ATOM 0 H LEU A 4 -6.184 -0.148 0.108 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.887 -0.945 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.963 0.988 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.415 1.806 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.160 -0.399 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.819 0.251 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.596 -0.341 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.539 1.405 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.642 1.399 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.270 2.601 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.823 1.649 -3.498 1.00 0.00 H new ATOM 90 N PHE A 5 -3.940 0.788 1.236 1.00 0.00 N ATOM 91 CA PHE A 5 -3.095 1.321 2.285 1.00 0.00 C ATOM 92 C PHE A 5 -2.088 0.258 2.615 1.00 0.00 C ATOM 93 O PHE A 5 -0.969 0.520 3.056 1.00 0.00 O ATOM 94 CB PHE A 5 -3.926 1.641 3.514 1.00 0.00 C ATOM 95 CG PHE A 5 -3.118 1.768 4.776 1.00 0.00 C ATOM 96 CD1 PHE A 5 -2.491 2.960 5.092 1.00 0.00 C ATOM 97 CD2 PHE A 5 -2.974 0.690 5.634 1.00 0.00 C ATOM 98 CE1 PHE A 5 -1.732 3.076 6.242 1.00 0.00 C ATOM 99 CE2 PHE A 5 -2.218 0.800 6.786 1.00 0.00 C ATOM 100 CZ PHE A 5 -1.596 1.994 7.089 1.00 0.00 C ATOM 0 H PHE A 5 -4.928 0.714 1.478 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.607 2.240 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.466 2.573 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.674 0.859 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.595 3.809 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.458 -0.247 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.246 4.011 6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.114 -0.047 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.003 2.082 7.988 1.00 0.00 H new ATOM 110 N LYS A 6 -2.525 -0.952 2.350 1.00 0.00 N ATOM 111 CA LYS A 6 -1.731 -2.116 2.556 1.00 0.00 C ATOM 112 C LYS A 6 -0.849 -2.325 1.338 1.00 0.00 C ATOM 113 O LYS A 6 0.249 -2.874 1.440 1.00 0.00 O ATOM 114 CB LYS A 6 -2.632 -3.321 2.832 1.00 0.00 C ATOM 115 CG LYS A 6 -3.299 -3.900 1.599 1.00 0.00 C ATOM 116 CD LYS A 6 -3.267 -5.420 1.605 1.00 0.00 C ATOM 117 CE LYS A 6 -4.383 -5.998 2.462 1.00 0.00 C ATOM 118 NZ LYS A 6 -3.895 -6.404 3.808 1.00 0.00 N ATOM 0 H LYS A 6 -3.456 -1.146 1.981 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.088 -1.993 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.039 -4.101 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.404 -3.027 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.333 -3.558 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.797 -3.529 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.361 -5.791 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.303 -5.763 1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.177 -5.259 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.818 -6.861 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.685 -6.793 4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.155 -7.128 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.503 -5.576 4.300 1.00 0.00 H new ATOM 132 N LYS A 7 -1.317 -1.840 0.179 1.00 0.00 N ATOM 133 CA LYS A 7 -0.533 -1.945 -1.034 1.00 0.00 C ATOM 134 C LYS A 7 0.421 -0.779 -1.123 1.00 0.00 C ATOM 135 O LYS A 7 1.409 -0.821 -1.858 1.00 0.00 O ATOM 136 CB LYS A 7 -1.441 -2.047 -2.274 1.00 0.00 C ATOM 137 CG LYS A 7 -1.537 -0.777 -3.113 1.00 0.00 C ATOM 138 CD LYS A 7 -1.831 -1.094 -4.571 1.00 0.00 C ATOM 139 CE LYS A 7 -1.267 -0.027 -5.495 1.00 0.00 C ATOM 140 NZ LYS A 7 -1.312 -0.450 -6.923 1.00 0.00 N ATOM 0 H LYS A 7 -2.221 -1.380 0.068 1.00 0.00 H new ATOM 0 HA LYS A 7 0.055 -2.863 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.075 -2.855 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.443 -2.326 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.322 -0.134 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.602 -0.221 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.403 -2.063 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.908 -1.172 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.833 0.896 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.237 0.190 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.919 0.304 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.751 -1.317 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.298 -0.633 -7.200 1.00 0.00 H new ATOM 154 N ILE A 8 0.137 0.256 -0.354 1.00 0.00 N ATOM 155 CA ILE A 8 0.990 1.417 -0.355 1.00 0.00 C ATOM 156 C ILE A 8 2.045 1.309 0.732 1.00 0.00 C ATOM 157 O ILE A 8 3.155 1.821 0.596 1.00 0.00 O ATOM 158 CB ILE A 8 0.178 2.725 -0.203 1.00 0.00 C ATOM 159 CG1 ILE A 8 -0.494 3.083 -1.530 1.00 0.00 C ATOM 160 CG2 ILE A 8 1.063 3.870 0.271 1.00 0.00 C ATOM 161 CD1 ILE A 8 -1.832 3.772 -1.364 1.00 0.00 C ATOM 0 H ILE A 8 -0.668 0.312 0.270 1.00 0.00 H new ATOM 0 HA ILE A 8 1.491 1.454 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.591 2.563 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.171 3.731 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.633 2.174 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.465 4.776 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.499 3.617 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.860 4.038 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.250 3.996 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.513 3.118 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.697 4.699 -0.807 1.00 0.00 H new ATOM 173 N GLY A 9 1.690 0.617 1.791 1.00 0.00 N ATOM 174 CA GLY A 9 2.616 0.415 2.883 1.00 0.00 C ATOM 175 C GLY A 9 3.698 -0.567 2.499 1.00 0.00 C ATOM 176 O GLY A 9 4.852 -0.448 2.912 1.00 0.00 O ATOM 0 H GLY A 9 0.774 0.187 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.067 1.367 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.079 0.047 3.757 1.00 0.00 H new ATOM 180 N ALA A 10 3.340 -1.542 1.680 1.00 0.00 N ATOM 181 CA ALA A 10 4.315 -2.517 1.251 1.00 0.00 C ATOM 182 C ALA A 10 5.284 -1.885 0.286 1.00 0.00 C ATOM 183 O ALA A 10 6.461 -2.236 0.267 1.00 0.00 O ATOM 184 CB ALA A 10 3.661 -3.744 0.643 1.00 0.00 C ATOM 0 H ALA A 10 2.400 -1.675 1.308 1.00 0.00 H new ATOM 0 HA ALA A 10 4.862 -2.855 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.431 -4.451 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.012 -4.214 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.070 -3.449 -0.224 1.00 0.00 H new ATOM 190 N VAL A 11 4.815 -0.911 -0.488 1.00 0.00 N ATOM 191 CA VAL A 11 5.713 -0.220 -1.392 1.00 0.00 C ATOM 192 C VAL A 11 6.869 0.318 -0.567 1.00 0.00 C ATOM 193 O VAL A 11 8.014 0.362 -1.014 1.00 0.00 O ATOM 194 CB VAL A 11 5.023 0.930 -2.140 1.00 0.00 C ATOM 195 CG1 VAL A 11 6.011 1.632 -3.056 1.00 0.00 C ATOM 196 CG2 VAL A 11 3.829 0.410 -2.920 1.00 0.00 C ATOM 0 H VAL A 11 3.846 -0.593 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 11 6.057 -0.921 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 11 4.661 1.657 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.508 2.445 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.833 2.035 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.403 0.920 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.350 1.236 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.163 -0.335 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.116 -0.046 -2.233 1.00 0.00 H new ATOM 206 N LEU A 12 6.549 0.660 0.680 1.00 0.00 N ATOM 207 CA LEU A 12 7.537 1.121 1.638 1.00 0.00 C ATOM 208 C LEU A 12 8.661 0.106 1.690 1.00 0.00 C ATOM 209 O LEU A 12 9.835 0.439 1.845 1.00 0.00 O ATOM 210 CB LEU A 12 6.891 1.210 3.016 1.00 0.00 C ATOM 211 CG LEU A 12 7.790 1.759 4.126 1.00 0.00 C ATOM 212 CD1 LEU A 12 8.023 3.250 3.935 1.00 0.00 C ATOM 213 CD2 LEU A 12 7.178 1.484 5.492 1.00 0.00 C ATOM 0 H LEU A 12 5.599 0.623 1.048 1.00 0.00 H new ATOM 0 HA LEU A 12 7.919 2.099 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.005 1.841 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.551 0.215 3.305 1.00 0.00 H new ATOM 0 HG LEU A 12 8.753 1.252 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.664 3.623 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.504 3.423 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.068 3.774 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.830 1.881 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.202 1.965 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.063 0.409 5.629 1.00 0.00 H new ATOM 225 N LYS A 13 8.255 -1.148 1.541 1.00 0.00 N ATOM 226 CA LYS A 13 9.166 -2.274 1.549 1.00 0.00 C ATOM 227 C LYS A 13 9.912 -2.349 0.230 1.00 0.00 C ATOM 228 O LYS A 13 11.108 -2.636 0.181 1.00 0.00 O ATOM 229 CB LYS A 13 8.383 -3.567 1.764 1.00 0.00 C ATOM 230 CG LYS A 13 9.256 -4.759 2.121 1.00 0.00 C ATOM 231 CD LYS A 13 9.848 -4.621 3.516 1.00 0.00 C ATOM 232 CE LYS A 13 9.198 -5.583 4.497 1.00 0.00 C ATOM 233 NZ LYS A 13 9.780 -6.950 4.401 1.00 0.00 N ATOM 0 H LYS A 13 7.278 -1.409 1.411 1.00 0.00 H new ATOM 0 HA LYS A 13 9.883 -2.143 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.653 -3.411 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.823 -3.797 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.665 -5.673 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.060 -4.853 1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.921 -4.810 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.717 -3.598 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.322 -5.206 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.126 -5.630 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.310 -7.576 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.639 -7.321 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.798 -6.909 4.611 1.00 0.00 H new ATOM 247 N VAL A 14 9.176 -2.084 -0.838 1.00 0.00 N ATOM 248 CA VAL A 14 9.714 -2.106 -2.178 1.00 0.00 C ATOM 249 C VAL A 14 10.551 -0.858 -2.449 1.00 0.00 C ATOM 250 O VAL A 14 11.232 -0.753 -3.469 1.00 0.00 O ATOM 251 CB VAL A 14 8.556 -2.223 -3.197 1.00 0.00 C ATOM 252 CG1 VAL A 14 8.767 -1.327 -4.414 1.00 0.00 C ATOM 253 CG2 VAL A 14 8.371 -3.671 -3.624 1.00 0.00 C ATOM 0 H VAL A 14 8.185 -1.847 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 14 10.369 -2.971 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 14 7.649 -1.880 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.929 -1.443 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.832 -0.287 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.691 -1.610 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.553 -3.737 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.289 -4.034 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.139 -4.281 -2.751 1.00 0.00 H new ATOM 263 N LEU A 15 10.485 0.082 -1.520 1.00 0.00 N ATOM 264 CA LEU A 15 11.212 1.334 -1.624 1.00 0.00 C ATOM 265 C LEU A 15 12.653 1.177 -1.147 1.00 0.00 C ATOM 266 O LEU A 15 13.427 2.148 -1.272 1.00 0.00 O ATOM 267 CB LEU A 15 10.491 2.398 -0.798 1.00 0.00 C ATOM 268 CG LEU A 15 10.182 3.699 -1.541 1.00 0.00 C ATOM 269 CD1 LEU A 15 9.412 3.414 -2.821 1.00 0.00 C ATOM 270 CD2 LEU A 15 9.399 4.649 -0.646 1.00 0.00 C ATOM 271 OXT LEU A 15 12.994 0.081 -0.652 1.00 0.00 O ATOM 0 H LEU A 15 9.925 -0.003 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 15 11.244 1.638 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.555 1.977 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.100 2.632 0.075 1.00 0.00 H new ATOM 0 HG LEU A 15 11.125 4.176 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.202 4.352 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.008 2.771 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.474 2.915 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.187 5.570 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.461 4.179 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.987 4.879 0.243 1.00 0.00 H new TER 283 LEU A 15