USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 151 hydrogens (2 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 70:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.977 1.832 7.743 1.00 0.00 N ATOM 2 CA MET A 1 -13.513 2.301 6.433 1.00 0.00 C ATOM 3 C MET A 1 -12.941 1.454 5.293 1.00 0.00 C ATOM 4 O MET A 1 -13.646 0.697 4.655 1.00 0.00 O ATOM 5 CB MET A 1 -13.047 3.752 6.309 1.00 0.00 C ATOM 6 CG MET A 1 -14.132 4.686 6.846 1.00 0.00 C ATOM 7 SD MET A 1 -14.081 6.254 5.945 1.00 0.00 S ATOM 8 CE MET A 1 -14.444 7.336 7.350 1.00 0.00 C ATOM 0 H1 MET A 1 -13.372 2.414 8.508 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.244 0.838 7.891 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.940 1.916 7.744 1.00 0.00 H new ATOM 0 HA MET A 1 -14.598 2.216 6.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.121 3.896 6.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.833 3.988 5.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.112 4.223 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.981 4.862 7.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.462 8.373 7.015 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.415 7.074 7.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.674 7.214 8.112 1.00 0.00 H new ATOM 20 N ALA A 2 -11.666 1.577 5.034 1.00 0.00 N ATOM 21 CA ALA A 2 -11.045 0.780 3.935 1.00 0.00 C ATOM 22 C ALA A 2 -9.520 0.801 4.063 1.00 0.00 C ATOM 23 O ALA A 2 -8.919 1.841 4.255 1.00 0.00 O ATOM 24 CB ALA A 2 -11.484 1.477 2.646 1.00 0.00 C ATOM 0 H ALA A 2 -11.028 2.195 5.536 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.351 -0.266 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.067 0.950 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.572 1.472 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.126 2.506 2.649 1.00 0.00 H new ATOM 30 N THR A 3 -8.890 -0.340 3.960 1.00 0.00 N ATOM 31 CA THR A 3 -7.403 -0.387 4.075 1.00 0.00 C ATOM 32 C THR A 3 -6.774 -0.639 2.705 1.00 0.00 C ATOM 33 O THR A 3 -5.856 -1.422 2.567 1.00 0.00 O ATOM 34 CB THR A 3 -7.114 -1.551 5.025 1.00 0.00 C ATOM 35 OG1 THR A 3 -7.907 -1.412 6.196 1.00 0.00 O ATOM 36 CG2 THR A 3 -5.634 -1.548 5.405 1.00 0.00 C ATOM 0 H THR A 3 -9.341 -1.241 3.801 1.00 0.00 H new ATOM 0 HA THR A 3 -6.988 0.551 4.445 1.00 0.00 H new ATOM 0 HB THR A 3 -7.356 -2.492 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.725 -2.158 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.430 -2.378 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.027 -1.656 4.506 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.387 -0.608 5.899 1.00 0.00 H new ATOM 44 N LEU A 4 -7.261 0.025 1.693 1.00 0.00 N ATOM 45 CA LEU A 4 -6.693 -0.169 0.333 1.00 0.00 C ATOM 46 C LEU A 4 -5.399 0.630 0.191 1.00 0.00 C ATOM 47 O LEU A 4 -4.367 0.091 -0.153 1.00 0.00 O ATOM 48 CB LEU A 4 -7.762 0.351 -0.630 1.00 0.00 C ATOM 49 CG LEU A 4 -8.920 -0.646 -0.695 1.00 0.00 C ATOM 50 CD1 LEU A 4 -10.191 0.076 -1.145 1.00 0.00 C ATOM 51 CD2 LEU A 4 -8.582 -1.755 -1.694 1.00 0.00 C ATOM 0 H LEU A 4 -8.029 0.694 1.751 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.448 -1.212 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.124 1.324 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.334 0.493 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.080 -1.081 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.016 -0.635 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.432 0.866 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.032 0.512 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.407 -2.466 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.422 -1.320 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.677 -2.270 -1.373 1.00 0.00 H new ATOM 63 N GLU A 5 -5.437 1.908 0.462 1.00 0.00 N ATOM 64 CA GLU A 5 -4.193 2.721 0.349 1.00 0.00 C ATOM 65 C GLU A 5 -3.114 2.118 1.241 1.00 0.00 C ATOM 66 O GLU A 5 -1.949 2.096 0.897 1.00 0.00 O ATOM 67 CB GLU A 5 -4.575 4.126 0.820 1.00 0.00 C ATOM 68 CG GLU A 5 -4.647 5.069 -0.383 1.00 0.00 C ATOM 69 CD GLU A 5 -5.938 4.807 -1.160 1.00 0.00 C ATOM 70 OE1 GLU A 5 -6.104 3.698 -1.640 1.00 0.00 O ATOM 71 OE2 GLU A 5 -6.740 5.722 -1.263 1.00 0.00 O ATOM 0 H GLU A 5 -6.269 2.420 0.754 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.798 2.745 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.537 4.100 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.841 4.492 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.616 6.106 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.783 4.917 -1.030 1.00 0.00 H new ATOM 78 N LYS A 6 -3.501 1.593 2.371 1.00 0.00 N ATOM 79 CA LYS A 6 -2.503 0.954 3.266 1.00 0.00 C ATOM 80 C LYS A 6 -1.912 -0.270 2.559 1.00 0.00 C ATOM 81 O LYS A 6 -0.906 -0.814 2.972 1.00 0.00 O ATOM 82 CB LYS A 6 -3.284 0.533 4.515 1.00 0.00 C ATOM 83 CG LYS A 6 -2.852 1.393 5.705 1.00 0.00 C ATOM 84 CD LYS A 6 -3.902 1.299 6.814 1.00 0.00 C ATOM 85 CE LYS A 6 -3.724 2.466 7.786 1.00 0.00 C ATOM 86 NZ LYS A 6 -4.397 2.028 9.041 1.00 0.00 N ATOM 0 H LYS A 6 -4.463 1.580 2.710 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.679 1.620 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.354 0.645 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.105 -0.520 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.884 1.057 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.731 2.430 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.903 1.320 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.802 0.352 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.669 2.679 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.174 3.378 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.317 2.778 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.401 1.839 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.943 1.162 9.394 1.00 0.00 H new ATOM 100 N LEU A 7 -2.536 -0.706 1.489 1.00 0.00 N ATOM 101 CA LEU A 7 -2.021 -1.884 0.749 1.00 0.00 C ATOM 102 C LEU A 7 -1.171 -1.418 -0.442 1.00 0.00 C ATOM 103 O LEU A 7 -0.282 -2.113 -0.894 1.00 0.00 O ATOM 104 CB LEU A 7 -3.286 -2.648 0.307 1.00 0.00 C ATOM 105 CG LEU A 7 -3.611 -2.384 -1.169 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.802 -3.338 -2.051 1.00 0.00 C ATOM 107 CD2 LEU A 7 -5.107 -2.613 -1.409 1.00 0.00 C ATOM 0 H LEU A 7 -3.383 -0.289 1.102 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.370 -2.523 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.141 -3.717 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.130 -2.347 0.927 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.354 -1.355 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.034 -3.149 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.738 -3.177 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.058 -4.368 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.340 -2.426 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.362 -3.643 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.684 -1.933 -0.782 1.00 0.00 H new ATOM 119 N MET A 8 -1.443 -0.243 -0.947 1.00 0.00 N ATOM 120 CA MET A 8 -0.665 0.281 -2.100 1.00 0.00 C ATOM 121 C MET A 8 0.595 0.993 -1.604 1.00 0.00 C ATOM 122 O MET A 8 1.703 0.627 -1.946 1.00 0.00 O ATOM 123 CB MET A 8 -1.604 1.270 -2.793 1.00 0.00 C ATOM 124 CG MET A 8 -1.256 1.348 -4.281 1.00 0.00 C ATOM 125 SD MET A 8 -2.219 0.116 -5.192 1.00 0.00 S ATOM 126 CE MET A 8 -3.376 1.267 -5.976 1.00 0.00 C ATOM 0 H MET A 8 -2.177 0.378 -0.605 1.00 0.00 H new ATOM 0 HA MET A 8 -0.338 -0.511 -2.774 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.640 0.954 -2.667 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.514 2.255 -2.335 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.469 2.346 -4.663 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.190 1.172 -4.426 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.077 0.711 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.926 1.810 -5.207 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.823 1.974 -6.595 1.00 0.00 H new ATOM 136 N LYS A 9 0.434 2.007 -0.794 1.00 0.00 N ATOM 137 CA LYS A 9 1.621 2.744 -0.267 1.00 0.00 C ATOM 138 C LYS A 9 2.576 1.779 0.441 1.00 0.00 C ATOM 139 O LYS A 9 3.743 2.063 0.610 1.00 0.00 O ATOM 140 CB LYS A 9 1.054 3.764 0.724 1.00 0.00 C ATOM 141 CG LYS A 9 1.155 5.172 0.130 1.00 0.00 C ATOM 142 CD LYS A 9 -0.182 5.558 -0.505 1.00 0.00 C ATOM 143 CE LYS A 9 -0.122 5.314 -2.015 1.00 0.00 C ATOM 144 NZ LYS A 9 0.507 6.541 -2.579 1.00 0.00 N ATOM 0 H LYS A 9 -0.469 2.357 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 9 2.190 3.225 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.014 3.528 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.603 3.715 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.420 5.888 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.948 5.206 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.988 4.972 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.402 6.606 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.466 4.426 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.118 5.155 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.582 6.449 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.078 7.369 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.456 6.663 -2.172 1.00 0.00 H new ATOM 158 N ALA A 10 2.088 0.640 0.857 1.00 0.00 N ATOM 159 CA ALA A 10 2.970 -0.340 1.549 1.00 0.00 C ATOM 160 C ALA A 10 3.926 -0.988 0.543 1.00 0.00 C ATOM 161 O ALA A 10 5.115 -1.077 0.769 1.00 0.00 O ATOM 162 CB ALA A 10 2.021 -1.387 2.132 1.00 0.00 C ATOM 0 H ALA A 10 1.117 0.348 0.747 1.00 0.00 H new ATOM 0 HA ALA A 10 3.583 0.128 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.597 -2.147 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.332 -0.907 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.456 -1.855 1.326 1.00 0.00 H new ATOM 168 N PHE A 11 3.413 -1.441 -0.567 1.00 0.00 N ATOM 169 CA PHE A 11 4.286 -2.088 -1.583 1.00 0.00 C ATOM 170 C PHE A 11 5.324 -1.094 -2.113 1.00 0.00 C ATOM 171 O PHE A 11 6.307 -1.475 -2.717 1.00 0.00 O ATOM 172 CB PHE A 11 3.334 -2.516 -2.702 1.00 0.00 C ATOM 173 CG PHE A 11 2.213 -3.385 -2.155 1.00 0.00 C ATOM 174 CD1 PHE A 11 2.323 -3.996 -0.895 1.00 0.00 C ATOM 175 CD2 PHE A 11 1.056 -3.574 -2.920 1.00 0.00 C ATOM 176 CE1 PHE A 11 1.278 -4.790 -0.408 1.00 0.00 C ATOM 177 CE2 PHE A 11 0.013 -4.369 -2.432 1.00 0.00 C ATOM 178 CZ PHE A 11 0.123 -4.976 -1.176 1.00 0.00 C ATOM 0 H PHE A 11 2.425 -1.390 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 11 4.842 -2.930 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.914 -1.634 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.886 -3.065 -3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.214 -3.853 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.968 -3.105 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.363 -5.259 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.878 -4.514 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.683 -5.588 -0.799 1.00 0.00 H new ATOM 188 N GLU A 12 5.113 0.178 -1.897 1.00 0.00 N ATOM 189 CA GLU A 12 6.088 1.191 -2.398 1.00 0.00 C ATOM 190 C GLU A 12 6.833 1.848 -1.232 1.00 0.00 C ATOM 191 O GLU A 12 8.020 2.093 -1.307 1.00 0.00 O ATOM 192 CB GLU A 12 5.233 2.226 -3.133 1.00 0.00 C ATOM 193 CG GLU A 12 5.560 2.201 -4.626 1.00 0.00 C ATOM 194 CD GLU A 12 5.039 3.479 -5.286 1.00 0.00 C ATOM 195 OE1 GLU A 12 5.166 4.529 -4.679 1.00 0.00 O ATOM 196 OE2 GLU A 12 4.519 3.385 -6.386 1.00 0.00 O ATOM 0 H GLU A 12 4.310 0.558 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 12 6.846 0.745 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.175 2.013 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.420 3.220 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.637 2.117 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.106 1.327 -5.094 1.00 0.00 H new ATOM 203 N SER A 13 6.141 2.154 -0.169 1.00 0.00 N ATOM 204 CA SER A 13 6.802 2.818 0.991 1.00 0.00 C ATOM 205 C SER A 13 7.319 1.793 2.006 1.00 0.00 C ATOM 206 O SER A 13 8.170 2.096 2.821 1.00 0.00 O ATOM 207 CB SER A 13 5.717 3.691 1.618 1.00 0.00 C ATOM 208 OG SER A 13 6.328 4.727 2.374 1.00 0.00 O ATOM 0 H SER A 13 5.144 1.973 -0.053 1.00 0.00 H new ATOM 0 HA SER A 13 7.671 3.396 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.083 4.118 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.074 3.088 2.259 1.00 0.00 H new ATOM 0 HG SER A 13 5.635 5.290 2.777 1.00 0.00 H new ATOM 214 N LEU A 14 6.818 0.591 1.974 1.00 0.00 N ATOM 215 CA LEU A 14 7.291 -0.431 2.948 1.00 0.00 C ATOM 216 C LEU A 14 8.457 -1.235 2.361 1.00 0.00 C ATOM 217 O LEU A 14 8.622 -2.403 2.651 1.00 0.00 O ATOM 218 CB LEU A 14 6.087 -1.338 3.205 1.00 0.00 C ATOM 219 CG LEU A 14 6.063 -1.752 4.678 1.00 0.00 C ATOM 220 CD1 LEU A 14 4.615 -1.902 5.142 1.00 0.00 C ATOM 221 CD2 LEU A 14 6.791 -3.088 4.844 1.00 0.00 C ATOM 0 H LEU A 14 6.104 0.272 1.319 1.00 0.00 H new ATOM 0 HA LEU A 14 7.656 0.026 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.165 -0.817 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.142 -2.222 2.569 1.00 0.00 H new ATOM 0 HG LEU A 14 6.560 -0.989 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.598 -2.197 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.095 -0.952 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.118 -2.665 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.774 -3.384 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.294 -3.850 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.824 -2.983 4.513 1.00 0.00 H new ATOM 233 N LYS A 15 9.270 -0.619 1.543 1.00 0.00 N ATOM 234 CA LYS A 15 10.426 -1.352 0.950 1.00 0.00 C ATOM 235 C LYS A 15 11.400 -1.767 2.050 1.00 0.00 C ATOM 236 O LYS A 15 11.861 -2.890 2.103 1.00 0.00 O ATOM 237 CB LYS A 15 11.088 -0.358 -0.006 1.00 0.00 C ATOM 238 CG LYS A 15 11.484 -1.077 -1.297 1.00 0.00 C ATOM 239 CD LYS A 15 11.302 -0.131 -2.487 1.00 0.00 C ATOM 240 CE LYS A 15 12.396 -0.398 -3.524 1.00 0.00 C ATOM 241 NZ LYS A 15 13.564 0.402 -3.063 1.00 0.00 N ATOM 0 H LYS A 15 9.183 0.357 1.261 1.00 0.00 H new ATOM 0 HA LYS A 15 10.117 -2.261 0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.403 0.460 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.968 0.082 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.521 -1.408 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.872 -1.969 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.319 -0.277 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.349 0.905 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.640 -1.459 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.078 -0.094 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.357 0.271 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.304 1.408 -3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.849 0.086 -2.114 1.00 0.00 H new ATOM 255 N SER A 16 11.708 -0.856 2.930 1.00 0.00 N ATOM 256 CA SER A 16 12.650 -1.144 4.052 1.00 0.00 C ATOM 257 C SER A 16 12.959 0.162 4.776 1.00 0.00 C ATOM 258 O SER A 16 13.148 0.204 5.975 1.00 0.00 O ATOM 259 CB SER A 16 13.916 -1.709 3.403 1.00 0.00 C ATOM 260 OG SER A 16 13.916 -3.125 3.526 1.00 0.00 O ATOM 0 H SER A 16 11.340 0.095 2.920 1.00 0.00 H new ATOM 0 HA SER A 16 12.238 -1.847 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.958 -1.424 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.801 -1.291 3.882 1.00 0.00 H new ATOM 0 HG SER A 16 13.220 -3.503 2.949 1.00 0.00 H new ATOM 266 N PHE A 17 13.001 1.229 4.034 1.00 0.00 N ATOM 267 CA PHE A 17 13.285 2.565 4.635 1.00 0.00 C ATOM 268 C PHE A 17 12.083 3.041 5.456 1.00 0.00 C ATOM 269 O PHE A 17 11.092 2.347 5.571 1.00 0.00 O ATOM 270 CB PHE A 17 13.537 3.514 3.452 1.00 0.00 C ATOM 271 CG PHE A 17 12.505 3.285 2.368 1.00 0.00 C ATOM 272 CD1 PHE A 17 11.168 3.643 2.579 1.00 0.00 C ATOM 273 CD2 PHE A 17 12.890 2.706 1.152 1.00 0.00 C ATOM 274 CE1 PHE A 17 10.220 3.421 1.574 1.00 0.00 C ATOM 275 CE2 PHE A 17 11.942 2.485 0.149 1.00 0.00 C ATOM 276 CZ PHE A 17 10.607 2.843 0.361 1.00 0.00 C ATOM 0 H PHE A 17 12.849 1.236 3.025 1.00 0.00 H new ATOM 0 HA PHE A 17 14.142 2.530 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.495 4.549 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.538 3.350 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.869 4.090 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.921 2.430 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.188 3.696 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.240 2.039 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.874 2.673 -0.413 1.00 0.00 H new HETATM 286 N NH2 A 18 12.128 4.209 6.037 1.00 0.00 N TER 289 NH2 A 18