USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 290 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 Set 1.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -150:sc= -0.185 (180deg=-0.814) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -47:sc= 0.853 USER MOD Single : A 10 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.312 (180deg=-0.738) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -0.980 6.997 -2.631 1.00 44.30 N ATOM 66 CA TRP A 4 -2.001 7.876 -2.072 1.00 73.43 C ATOM 67 C TRP A 4 -1.688 9.337 -2.375 1.00 71.32 C ATOM 68 O TRP A 4 -2.590 10.167 -2.472 1.00 53.44 O ATOM 69 CB TRP A 4 -2.111 7.667 -0.561 1.00 10.40 C ATOM 70 CG TRP A 4 -2.394 6.247 -0.176 1.00 72.21 C ATOM 71 CD1 TRP A 4 -1.503 5.340 0.322 1.00 32.51 C ATOM 72 CD2 TRP A 4 -3.654 5.571 -0.260 1.00 24.01 C ATOM 73 NE1 TRP A 4 -2.133 4.140 0.553 1.00 50.30 N ATOM 74 CE2 TRP A 4 -3.453 4.256 0.205 1.00 43.51 C ATOM 75 CE3 TRP A 4 -4.932 5.949 -0.680 1.00 64.33 C ATOM 76 CZ2 TRP A 4 -4.482 3.321 0.259 1.00 74.12 C ATOM 77 CZ3 TRP A 4 -5.952 5.019 -0.627 1.00 34.24 C ATOM 78 CH2 TRP A 4 -5.723 3.718 -0.159 1.00 75.22 C ATOM 0 HA TRP A 4 -2.955 7.625 -2.537 1.00 73.43 H new ATOM 0 HB2 TRP A 4 -1.181 7.985 -0.089 1.00 10.40 H new ATOM 0 HB3 TRP A 4 -2.902 8.306 -0.170 1.00 10.40 H new ATOM 0 HD1 TRP A 4 -0.457 5.536 0.507 1.00 32.51 H new ATOM 0 HE1 TRP A 4 -1.689 3.300 0.923 1.00 50.30 H new ATOM 0 HE3 TRP A 4 -5.119 6.950 -1.040 1.00 64.33 H new ATOM 0 HZ2 TRP A 4 -4.307 2.318 0.618 1.00 74.12 H new ATOM 0 HZ3 TRP A 4 -6.943 5.299 -0.952 1.00 34.24 H new ATOM 0 HH2 TRP A 4 -6.542 3.015 -0.128 1.00 75.22 H new ATOM 89 N GLY A 5 -0.403 9.644 -2.524 1.00 20.21 N ATOM 90 CA GLY A 5 0.005 11.006 -2.815 1.00 25.35 C ATOM 91 C GLY A 5 -0.632 11.545 -4.080 1.00 32.24 C ATOM 92 O GLY A 5 -0.844 12.750 -4.212 1.00 50.34 O ATOM 0 H GLY A 5 0.362 8.974 -2.448 1.00 20.21 H new ATOM 0 HA2 GLY A 5 -0.261 11.649 -1.976 1.00 25.35 H new ATOM 0 HA3 GLY A 5 1.090 11.044 -2.914 1.00 25.35 H new ATOM 96 N LYS A 6 -0.938 10.650 -5.013 1.00 51.55 N ATOM 97 CA LYS A 6 -1.555 11.042 -6.275 1.00 61.34 C ATOM 98 C LYS A 6 -2.947 11.621 -6.044 1.00 2.20 C ATOM 99 O LYS A 6 -3.238 12.746 -6.452 1.00 42.32 O ATOM 100 CB LYS A 6 -1.642 9.840 -7.219 1.00 23.34 C ATOM 101 CG LYS A 6 -1.886 10.221 -8.668 1.00 74.34 C ATOM 102 CD LYS A 6 -2.166 8.998 -9.527 1.00 14.44 C ATOM 103 CE LYS A 6 -3.460 9.153 -10.312 1.00 1.12 C ATOM 104 NZ LYS A 6 -3.272 9.986 -11.532 1.00 22.02 N ATOM 0 H LYS A 6 -0.769 9.648 -4.919 1.00 51.55 H new ATOM 0 HA LYS A 6 -0.932 11.811 -6.731 1.00 61.34 H new ATOM 0 HB2 LYS A 6 -0.716 9.269 -7.153 1.00 23.34 H new ATOM 0 HB3 LYS A 6 -2.445 9.183 -6.885 1.00 23.34 H new ATOM 0 HG2 LYS A 6 -2.729 10.909 -8.727 1.00 74.34 H new ATOM 0 HG3 LYS A 6 -1.016 10.749 -9.058 1.00 74.34 H new ATOM 0 HD2 LYS A 6 -1.337 8.839 -10.217 1.00 14.44 H new ATOM 0 HD3 LYS A 6 -2.227 8.113 -8.893 1.00 14.44 H new ATOM 0 HE2 LYS A 6 -3.831 8.169 -10.598 1.00 1.12 H new ATOM 0 HE3 LYS A 6 -4.219 9.608 -9.675 1.00 1.12 H new ATOM 0 HZ1 LYS A 6 -4.176 10.068 -12.039 1.00 22.02 H new ATOM 0 HZ2 LYS A 6 -2.942 10.933 -11.258 1.00 22.02 H new ATOM 0 HZ3 LYS A 6 -2.567 9.539 -12.152 1.00 22.02 H new ATOM 118 N LEU A 7 -3.803 10.847 -5.386 1.00 1.20 N ATOM 119 CA LEU A 7 -5.165 11.285 -5.099 1.00 24.45 C ATOM 120 C LEU A 7 -5.163 12.512 -4.192 1.00 64.45 C ATOM 121 O LEU A 7 -5.898 13.471 -4.428 1.00 5.15 O ATOM 122 CB LEU A 7 -5.957 10.153 -4.442 1.00 22.22 C ATOM 123 CG LEU A 7 -7.329 9.855 -5.047 1.00 31.00 C ATOM 124 CD1 LEU A 7 -7.750 8.427 -4.738 1.00 71.43 C ATOM 125 CD2 LEU A 7 -8.366 10.842 -4.530 1.00 24.00 C ATOM 0 H LEU A 7 -3.579 9.914 -5.041 1.00 1.20 H new ATOM 0 HA LEU A 7 -5.640 11.554 -6.042 1.00 24.45 H new ATOM 0 HB2 LEU A 7 -5.357 9.244 -4.486 1.00 22.22 H new ATOM 0 HB3 LEU A 7 -6.092 10.395 -3.388 1.00 22.22 H new ATOM 0 HG LEU A 7 -7.259 9.965 -6.129 1.00 31.00 H new ATOM 0 HD11 LEU A 7 -8.729 8.233 -5.177 1.00 71.43 H new ATOM 0 HD12 LEU A 7 -7.021 7.734 -5.157 1.00 71.43 H new ATOM 0 HD13 LEU A 7 -7.803 8.289 -3.658 1.00 71.43 H new ATOM 0 HD21 LEU A 7 -9.336 10.615 -4.971 1.00 24.00 H new ATOM 0 HD22 LEU A 7 -8.433 10.764 -3.445 1.00 24.00 H new ATOM 0 HD23 LEU A 7 -8.072 11.855 -4.803 1.00 24.00 H new ATOM 137 N PHE A 8 -4.330 12.475 -3.157 1.00 75.21 N ATOM 138 CA PHE A 8 -4.232 13.584 -2.216 1.00 5.40 C ATOM 139 C PHE A 8 -3.848 14.874 -2.935 1.00 4.54 C ATOM 140 O PHE A 8 -4.478 15.914 -2.745 1.00 54.45 O ATOM 141 CB PHE A 8 -3.203 13.268 -1.128 1.00 33.10 C ATOM 142 CG PHE A 8 -3.815 13.023 0.222 1.00 42.51 C ATOM 143 CD1 PHE A 8 -4.711 11.984 0.413 1.00 1.02 C ATOM 144 CD2 PHE A 8 -3.493 13.833 1.300 1.00 73.43 C ATOM 145 CE1 PHE A 8 -5.276 11.758 1.654 1.00 24.51 C ATOM 146 CE2 PHE A 8 -4.055 13.611 2.543 1.00 24.32 C ATOM 147 CZ PHE A 8 -4.946 12.571 2.721 1.00 71.03 C ATOM 0 H PHE A 8 -3.714 11.689 -2.949 1.00 75.21 H new ATOM 0 HA PHE A 8 -5.209 13.723 -1.753 1.00 5.40 H new ATOM 0 HB2 PHE A 8 -2.631 12.388 -1.424 1.00 33.10 H new ATOM 0 HB3 PHE A 8 -2.498 14.096 -1.054 1.00 33.10 H new ATOM 0 HD1 PHE A 8 -4.971 11.344 -0.417 1.00 1.02 H new ATOM 0 HD2 PHE A 8 -2.795 14.647 1.167 1.00 73.43 H new ATOM 0 HE1 PHE A 8 -5.975 10.946 1.789 1.00 24.51 H new ATOM 0 HE2 PHE A 8 -3.798 14.250 3.374 1.00 24.32 H new ATOM 0 HZ PHE A 8 -5.384 12.394 3.692 1.00 71.03 H new ATOM 157 N SER A 9 -2.808 14.798 -3.759 1.00 51.55 N ATOM 158 CA SER A 9 -2.336 15.960 -4.504 1.00 12.33 C ATOM 159 C SER A 9 -3.427 16.493 -5.428 1.00 1.10 C ATOM 160 O SER A 9 -3.733 17.686 -5.425 1.00 3.02 O ATOM 161 CB SER A 9 -1.093 15.600 -5.318 1.00 65.15 C ATOM 162 OG SER A 9 -1.411 14.698 -6.364 1.00 35.12 O ATOM 0 H SER A 9 -2.276 13.944 -3.928 1.00 51.55 H new ATOM 0 HA SER A 9 -2.078 16.740 -3.787 1.00 12.33 H new ATOM 0 HB2 SER A 9 -0.653 16.506 -5.736 1.00 65.15 H new ATOM 0 HB3 SER A 9 -0.343 15.154 -4.664 1.00 65.15 H new ATOM 0 HG SER A 9 -1.963 13.969 -6.011 1.00 35.12 H new ATOM 168 N THR A 10 -4.011 15.599 -6.220 1.00 14.41 N ATOM 169 CA THR A 10 -5.067 15.978 -7.151 1.00 30.32 C ATOM 170 C THR A 10 -6.190 16.720 -6.436 1.00 53.11 C ATOM 171 O THR A 10 -6.486 17.872 -6.753 1.00 61.21 O ATOM 172 CB THR A 10 -5.654 14.746 -7.865 1.00 73.21 C ATOM 173 OG1 THR A 10 -4.614 14.026 -8.536 1.00 41.31 O ATOM 174 CG2 THR A 10 -6.720 15.159 -8.868 1.00 55.23 C ATOM 0 H THR A 10 -3.771 14.608 -6.235 1.00 14.41 H new ATOM 0 HA THR A 10 -4.614 16.637 -7.892 1.00 30.32 H new ATOM 0 HB THR A 10 -6.113 14.103 -7.114 1.00 73.21 H new ATOM 0 HG1 THR A 10 -4.073 13.543 -7.877 1.00 41.31 H new ATOM 0 HG21 THR A 10 -7.120 14.272 -9.360 1.00 55.23 H new ATOM 0 HG22 THR A 10 -7.525 15.681 -8.350 1.00 55.23 H new ATOM 0 HG23 THR A 10 -6.280 15.821 -9.614 1.00 55.23 H new ATOM 182 N ALA A 11 -6.813 16.053 -5.470 1.00 2.24 N ATOM 183 CA ALA A 11 -7.902 16.651 -4.708 1.00 11.51 C ATOM 184 C ALA A 11 -7.487 17.995 -4.118 1.00 65.03 C ATOM 185 O ALA A 11 -8.173 19.001 -4.294 1.00 55.43 O ATOM 186 CB ALA A 11 -8.356 15.707 -3.605 1.00 72.32 C ATOM 0 H ALA A 11 -6.582 15.098 -5.197 1.00 2.24 H new ATOM 0 HA ALA A 11 -8.735 16.824 -5.389 1.00 11.51 H new ATOM 0 HB1 ALA A 11 -9.170 16.167 -3.044 1.00 72.32 H new ATOM 0 HB2 ALA A 11 -8.702 14.772 -4.046 1.00 72.32 H new ATOM 0 HB3 ALA A 11 -7.522 15.504 -2.933 1.00 72.32 H new ATOM 192 N LYS A 12 -6.358 18.004 -3.417 1.00 11.32 N ATOM 193 CA LYS A 12 -5.850 19.224 -2.801 1.00 4.12 C ATOM 194 C LYS A 12 -5.727 20.343 -3.830 1.00 65.02 C ATOM 195 O LYS A 12 -6.071 21.493 -3.557 1.00 32.11 O ATOM 196 CB LYS A 12 -4.489 18.963 -2.151 1.00 21.31 C ATOM 197 CG LYS A 12 -4.119 19.979 -1.084 1.00 71.03 C ATOM 198 CD LYS A 12 -2.832 20.708 -1.431 1.00 41.12 C ATOM 199 CE LYS A 12 -1.609 19.929 -0.972 1.00 61.35 C ATOM 200 NZ LYS A 12 -1.416 18.683 -1.765 1.00 44.13 N ATOM 0 H LYS A 12 -5.777 17.180 -3.261 1.00 11.32 H new ATOM 0 HA LYS A 12 -6.559 19.536 -2.034 1.00 4.12 H new ATOM 0 HB2 LYS A 12 -4.493 17.968 -1.707 1.00 21.31 H new ATOM 0 HB3 LYS A 12 -3.720 18.964 -2.924 1.00 21.31 H new ATOM 0 HG2 LYS A 12 -4.928 20.701 -0.971 1.00 71.03 H new ATOM 0 HG3 LYS A 12 -4.005 19.475 -0.124 1.00 71.03 H new ATOM 0 HD2 LYS A 12 -2.781 20.866 -2.508 1.00 41.12 H new ATOM 0 HD3 LYS A 12 -2.833 21.693 -0.964 1.00 41.12 H new ATOM 0 HE2 LYS A 12 -0.723 20.558 -1.062 1.00 61.35 H new ATOM 0 HE3 LYS A 12 -1.714 19.676 0.083 1.00 61.35 H new ATOM 0 HZ1 LYS A 12 -0.445 18.334 -1.632 1.00 44.13 H new ATOM 0 HZ2 LYS A 12 -2.091 17.960 -1.445 1.00 44.13 H new ATOM 0 HZ3 LYS A 12 -1.577 18.884 -2.773 1.00 44.13 H new ATOM 214 N LYS A 13 -5.234 19.999 -5.015 1.00 74.25 N ATOM 215 CA LYS A 13 -5.068 20.973 -6.088 1.00 33.14 C ATOM 216 C LYS A 13 -6.412 21.570 -6.493 1.00 71.13 C ATOM 217 O LYS A 13 -6.592 22.788 -6.477 1.00 10.45 O ATOM 218 CB LYS A 13 -4.402 20.319 -7.300 1.00 61.21 C ATOM 219 CG LYS A 13 -3.210 21.095 -7.832 1.00 2.54 C ATOM 220 CD LYS A 13 -2.095 20.166 -8.282 1.00 3.55 C ATOM 221 CE LYS A 13 -2.209 19.835 -9.762 1.00 23.25 C ATOM 222 NZ LYS A 13 -1.229 20.602 -10.579 1.00 41.31 N ATOM 0 H LYS A 13 -4.942 19.052 -5.257 1.00 74.25 H new ATOM 0 HA LYS A 13 -4.429 21.776 -5.720 1.00 33.14 H new ATOM 0 HB2 LYS A 13 -4.079 19.314 -7.028 1.00 61.21 H new ATOM 0 HB3 LYS A 13 -5.139 20.212 -8.095 1.00 61.21 H new ATOM 0 HG2 LYS A 13 -3.525 21.719 -8.669 1.00 2.54 H new ATOM 0 HG3 LYS A 13 -2.836 21.765 -7.058 1.00 2.54 H new ATOM 0 HD2 LYS A 13 -1.130 20.633 -8.086 1.00 3.55 H new ATOM 0 HD3 LYS A 13 -2.129 19.246 -7.699 1.00 3.55 H new ATOM 0 HE2 LYS A 13 -2.047 18.767 -9.909 1.00 23.25 H new ATOM 0 HE3 LYS A 13 -3.220 20.055 -10.106 1.00 23.25 H new ATOM 0 HZ1 LYS A 13 -1.339 20.348 -11.582 1.00 41.31 H new ATOM 0 HZ2 LYS A 13 -1.399 21.621 -10.459 1.00 41.31 H new ATOM 0 HZ3 LYS A 13 -0.263 20.373 -10.268 1.00 41.31 H new ATOM 236 N LEU A 14 -7.353 20.705 -6.856 1.00 10.20 N ATOM 237 CA LEU A 14 -8.682 21.147 -7.265 1.00 1.35 C ATOM 238 C LEU A 14 -9.288 22.083 -6.224 1.00 14.02 C ATOM 239 O LEU A 14 -9.827 23.137 -6.561 1.00 51.51 O ATOM 240 CB LEU A 14 -9.599 19.942 -7.479 1.00 25.42 C ATOM 241 CG LEU A 14 -9.969 19.629 -8.929 1.00 41.31 C ATOM 242 CD1 LEU A 14 -10.893 18.423 -8.996 1.00 42.22 C ATOM 243 CD2 LEU A 14 -10.619 20.838 -9.586 1.00 3.42 C ATOM 0 H LEU A 14 -7.220 19.694 -6.875 1.00 10.20 H new ATOM 0 HA LEU A 14 -8.584 21.692 -8.204 1.00 1.35 H new ATOM 0 HB2 LEU A 14 -9.117 19.063 -7.050 1.00 25.42 H new ATOM 0 HB3 LEU A 14 -10.519 20.107 -6.918 1.00 25.42 H new ATOM 0 HG LEU A 14 -9.055 19.391 -9.474 1.00 41.31 H new ATOM 0 HD11 LEU A 14 -11.146 18.215 -10.036 1.00 42.22 H new ATOM 0 HD12 LEU A 14 -10.392 17.556 -8.564 1.00 42.22 H new ATOM 0 HD13 LEU A 14 -11.805 18.632 -8.436 1.00 42.22 H new ATOM 0 HD21 LEU A 14 -10.876 20.597 -10.618 1.00 3.42 H new ATOM 0 HD22 LEU A 14 -11.523 21.106 -9.040 1.00 3.42 H new ATOM 0 HD23 LEU A 14 -9.924 21.678 -9.572 1.00 3.42 H new ATOM 255 N TYR A 15 -9.195 21.691 -4.958 1.00 11.20 N ATOM 256 CA TYR A 15 -9.735 22.495 -3.867 1.00 63.35 C ATOM 257 C TYR A 15 -9.096 23.880 -3.843 1.00 65.23 C ATOM 258 O TYR A 15 -9.781 24.896 -3.964 1.00 22.42 O ATOM 259 CB TYR A 15 -9.507 21.792 -2.528 1.00 14.53 C ATOM 260 CG TYR A 15 -9.858 22.646 -1.330 1.00 31.33 C ATOM 261 CD1 TYR A 15 -8.915 23.485 -0.749 1.00 71.25 C ATOM 262 CD2 TYR A 15 -11.133 22.613 -0.779 1.00 13.24 C ATOM 263 CE1 TYR A 15 -9.231 24.265 0.346 1.00 51.34 C ATOM 264 CE2 TYR A 15 -11.459 23.391 0.315 1.00 3.45 C ATOM 265 CZ TYR A 15 -10.504 24.215 0.874 1.00 11.33 C ATOM 266 OH TYR A 15 -10.823 24.992 1.964 1.00 12.42 O ATOM 0 H TYR A 15 -8.751 20.822 -4.662 1.00 11.20 H new ATOM 0 HA TYR A 15 -10.806 22.612 -4.031 1.00 63.35 H new ATOM 0 HB2 TYR A 15 -10.102 20.879 -2.500 1.00 14.53 H new ATOM 0 HB3 TYR A 15 -8.461 21.493 -2.457 1.00 14.53 H new ATOM 0 HD1 TYR A 15 -7.918 23.528 -1.161 1.00 71.25 H new ATOM 0 HD2 TYR A 15 -11.882 21.968 -1.214 1.00 13.24 H new ATOM 0 HE1 TYR A 15 -8.485 24.910 0.786 1.00 51.34 H new ATOM 0 HE2 TYR A 15 -12.455 23.354 0.730 1.00 3.45 H new ATOM 0 HH TYR A 15 -11.759 24.840 2.211 1.00 12.42 H new ATOM 276 N LYS A 16 -7.776 23.913 -3.687 1.00 74.32 N ATOM 277 CA LYS A 16 -7.041 25.171 -3.649 1.00 12.22 C ATOM 278 C LYS A 16 -7.371 26.031 -4.864 1.00 51.45 C ATOM 279 O LYS A 16 -7.633 27.228 -4.739 1.00 34.21 O ATOM 280 CB LYS A 16 -5.535 24.904 -3.593 1.00 53.41 C ATOM 281 CG LYS A 16 -4.873 25.416 -2.326 1.00 13.54 C ATOM 282 CD LYS A 16 -5.116 26.904 -2.131 1.00 71.25 C ATOM 283 CE LYS A 16 -4.036 27.537 -1.267 1.00 35.41 C ATOM 284 NZ LYS A 16 -2.910 28.066 -2.085 1.00 32.21 N ATOM 0 H LYS A 16 -7.194 23.082 -3.585 1.00 74.32 H new ATOM 0 HA LYS A 16 -7.341 25.712 -2.751 1.00 12.22 H new ATOM 0 HB2 LYS A 16 -5.362 23.831 -3.675 1.00 53.41 H new ATOM 0 HB3 LYS A 16 -5.059 25.371 -4.456 1.00 53.41 H new ATOM 0 HG2 LYS A 16 -5.258 24.868 -1.466 1.00 13.54 H new ATOM 0 HG3 LYS A 16 -3.801 25.225 -2.372 1.00 13.54 H new ATOM 0 HD2 LYS A 16 -5.144 27.399 -3.102 1.00 71.25 H new ATOM 0 HD3 LYS A 16 -6.090 27.057 -1.667 1.00 71.25 H new ATOM 0 HE2 LYS A 16 -4.469 28.346 -0.679 1.00 35.41 H new ATOM 0 HE3 LYS A 16 -3.656 26.798 -0.561 1.00 35.41 H new ATOM 0 HZ1 LYS A 16 -2.195 28.489 -1.459 1.00 32.21 H new ATOM 0 HZ2 LYS A 16 -2.480 27.290 -2.627 1.00 32.21 H new ATOM 0 HZ3 LYS A 16 -3.267 28.789 -2.741 1.00 32.21 H new ATOM 298 N LYS A 17 -7.358 25.415 -6.041 1.00 63.52 N ATOM 299 CA LYS A 17 -7.658 26.122 -7.280 1.00 52.21 C ATOM 300 C LYS A 17 -9.064 26.713 -7.242 1.00 60.22 C ATOM 301 O LYS A 17 -9.255 27.903 -7.490 1.00 62.41 O ATOM 302 CB LYS A 17 -7.522 25.178 -8.477 1.00 33.02 C ATOM 303 CG LYS A 17 -6.127 25.153 -9.077 1.00 12.32 C ATOM 304 CD LYS A 17 -6.115 24.465 -10.431 1.00 62.23 C ATOM 305 CE LYS A 17 -4.999 23.435 -10.523 1.00 41.41 C ATOM 306 NZ LYS A 17 -5.065 22.657 -11.791 1.00 12.01 N ATOM 0 H LYS A 17 -7.142 24.426 -6.163 1.00 63.52 H new ATOM 0 HA LYS A 17 -6.942 26.937 -7.386 1.00 52.21 H new ATOM 0 HB2 LYS A 17 -7.793 24.169 -8.166 1.00 33.02 H new ATOM 0 HB3 LYS A 17 -8.234 25.476 -9.247 1.00 33.02 H new ATOM 0 HG2 LYS A 17 -5.757 26.173 -9.183 1.00 12.32 H new ATOM 0 HG3 LYS A 17 -5.448 24.636 -8.399 1.00 12.32 H new ATOM 0 HD2 LYS A 17 -7.075 23.979 -10.602 1.00 62.23 H new ATOM 0 HD3 LYS A 17 -5.990 25.209 -11.217 1.00 62.23 H new ATOM 0 HE2 LYS A 17 -4.034 23.938 -10.455 1.00 41.41 H new ATOM 0 HE3 LYS A 17 -5.063 22.753 -9.675 1.00 41.41 H new ATOM 0 HZ1 LYS A 17 -4.288 21.966 -11.815 1.00 12.01 H new ATOM 0 HZ2 LYS A 17 -5.975 22.157 -11.844 1.00 12.01 H new ATOM 0 HZ3 LYS A 17 -4.978 23.304 -12.600 1.00 12.01 H new ATOM 320 N GLY A 18 -10.046 25.873 -6.929 1.00 21.24 N ATOM 321 CA GLY A 18 -11.421 26.331 -6.863 1.00 13.04 C ATOM 322 C GLY A 18 -11.586 27.543 -5.967 1.00 74.21 C ATOM 323 O GLY A 18 -12.216 28.528 -6.352 1.00 55.02 O ATOM 0 H GLY A 18 -9.913 24.883 -6.720 1.00 21.24 H new ATOM 0 HA2 GLY A 18 -11.768 26.575 -7.867 1.00 13.04 H new ATOM 0 HA3 GLY A 18 -12.053 25.522 -6.495 1.00 13.04 H new ATOM 327 N LYS A 19 -11.020 27.471 -4.767 1.00 55.21 N ATOM 328 CA LYS A 19 -11.108 28.570 -3.813 1.00 4.13 C ATOM 329 C LYS A 19 -10.477 29.837 -4.382 1.00 64.34 C ATOM 330 O LYS A 19 -11.126 30.878 -4.477 1.00 14.23 O ATOM 331 CB LYS A 19 -10.418 28.189 -2.501 1.00 5.41 C ATOM 332 CG LYS A 19 -11.066 28.804 -1.272 1.00 63.42 C ATOM 333 CD LYS A 19 -10.167 29.847 -0.631 1.00 11.54 C ATOM 334 CE LYS A 19 -9.500 29.312 0.627 1.00 33.21 C ATOM 335 NZ LYS A 19 -10.499 28.905 1.654 1.00 1.01 N ATOM 0 H LYS A 19 -10.495 26.663 -4.432 1.00 55.21 H new ATOM 0 HA LYS A 19 -12.162 28.766 -3.619 1.00 4.13 H new ATOM 0 HB2 LYS A 19 -10.423 27.104 -2.399 1.00 5.41 H new ATOM 0 HB3 LYS A 19 -9.374 28.500 -2.545 1.00 5.41 H new ATOM 0 HG2 LYS A 19 -12.015 29.262 -1.551 1.00 63.42 H new ATOM 0 HG3 LYS A 19 -11.290 28.021 -0.548 1.00 63.42 H new ATOM 0 HD2 LYS A 19 -9.404 30.159 -1.344 1.00 11.54 H new ATOM 0 HD3 LYS A 19 -10.753 30.732 -0.385 1.00 11.54 H new ATOM 0 HE2 LYS A 19 -8.874 28.457 0.371 1.00 33.21 H new ATOM 0 HE3 LYS A 19 -8.843 30.076 1.042 1.00 33.21 H new ATOM 0 HZ1 LYS A 19 -10.094 29.034 2.603 1.00 1.01 H new ATOM 0 HZ2 LYS A 19 -11.353 29.491 1.559 1.00 1.01 H new ATOM 0 HZ3 LYS A 19 -10.749 27.905 1.518 1.00 1.01 H new ATOM 349 N LYS A 20 -9.207 29.740 -4.762 1.00 51.43 N ATOM 350 CA LYS A 20 -8.488 30.877 -5.326 1.00 13.13 C ATOM 351 C LYS A 20 -9.249 31.471 -6.507 1.00 61.41 C ATOM 352 O LYS A 20 -9.371 32.690 -6.630 1.00 55.03 O ATOM 353 CB LYS A 20 -7.087 30.451 -5.770 1.00 0.33 C ATOM 354 CG LYS A 20 -6.048 30.532 -4.665 1.00 0.43 C ATOM 355 CD LYS A 20 -5.692 31.973 -4.338 1.00 54.23 C ATOM 356 CE LYS A 20 -4.382 32.386 -4.992 1.00 33.35 C ATOM 357 NZ LYS A 20 -4.535 33.622 -5.808 1.00 25.13 N ATOM 0 H LYS A 20 -8.654 28.886 -4.690 1.00 51.43 H new ATOM 0 HA LYS A 20 -8.401 31.640 -4.552 1.00 13.13 H new ATOM 0 HB2 LYS A 20 -7.129 29.428 -6.144 1.00 0.33 H new ATOM 0 HB3 LYS A 20 -6.771 31.081 -6.601 1.00 0.33 H new ATOM 0 HG2 LYS A 20 -6.428 30.038 -3.771 1.00 0.43 H new ATOM 0 HG3 LYS A 20 -5.150 29.994 -4.969 1.00 0.43 H new ATOM 0 HD2 LYS A 20 -6.492 32.632 -4.675 1.00 54.23 H new ATOM 0 HD3 LYS A 20 -5.614 32.093 -3.257 1.00 54.23 H new ATOM 0 HE2 LYS A 20 -3.628 32.550 -4.222 1.00 33.35 H new ATOM 0 HE3 LYS A 20 -4.021 31.575 -5.625 1.00 33.35 H new ATOM 0 HZ1 LYS A 20 -3.621 33.870 -6.237 1.00 25.13 H new ATOM 0 HZ2 LYS A 20 -5.236 33.458 -6.558 1.00 25.13 H new ATOM 0 HZ3 LYS A 20 -4.855 34.402 -5.200 1.00 25.13 H new ATOM 473 N PHE A 27 -16.521 35.240 -8.295 1.00 72.34 N ATOM 474 CA PHE A 27 -17.482 35.202 -7.199 1.00 2.41 C ATOM 475 C PHE A 27 -18.759 35.951 -7.569 1.00 41.00 C ATOM 476 O PHE A 27 -19.866 35.473 -7.323 1.00 35.12 O ATOM 477 CB PHE A 27 -16.869 35.810 -5.935 1.00 73.12 C ATOM 478 CG PHE A 27 -17.362 35.176 -4.666 1.00 24.52 C ATOM 479 CD1 PHE A 27 -17.013 33.873 -4.346 1.00 52.04 C ATOM 480 CD2 PHE A 27 -18.172 35.882 -3.792 1.00 31.22 C ATOM 481 CE1 PHE A 27 -17.466 33.287 -3.179 1.00 64.24 C ATOM 482 CE2 PHE A 27 -18.627 35.301 -2.623 1.00 72.10 C ATOM 483 CZ PHE A 27 -18.272 34.002 -2.316 1.00 75.01 C ATOM 0 HA PHE A 27 -17.736 34.160 -7.007 1.00 2.41 H new ATOM 0 HB2 PHE A 27 -15.784 35.712 -5.983 1.00 73.12 H new ATOM 0 HB3 PHE A 27 -17.092 36.877 -5.909 1.00 73.12 H new ATOM 0 HD1 PHE A 27 -16.380 33.310 -5.016 1.00 52.04 H new ATOM 0 HD2 PHE A 27 -18.451 36.899 -4.027 1.00 31.22 H new ATOM 0 HE1 PHE A 27 -17.189 32.270 -2.942 1.00 64.24 H new ATOM 0 HE2 PHE A 27 -19.259 35.862 -1.951 1.00 72.10 H new ATOM 0 HZ PHE A 27 -18.624 33.546 -1.402 1.00 75.01 H new ATOM 493 N LYS A 28 -18.596 37.129 -8.162 1.00 33.11 N ATOM 494 CA LYS A 28 -19.734 37.945 -8.568 1.00 12.44 C ATOM 495 C LYS A 28 -20.688 37.149 -9.453 1.00 25.35 C ATOM 496 O LYS A 28 -21.872 37.016 -9.145 1.00 54.32 O ATOM 497 CB LYS A 28 -19.253 39.193 -9.312 1.00 13.23 C ATOM 498 CG LYS A 28 -19.490 40.485 -8.549 1.00 0.20 C ATOM 499 CD LYS A 28 -18.222 40.969 -7.865 1.00 34.13 C ATOM 500 CE LYS A 28 -18.235 42.477 -7.670 1.00 11.42 C ATOM 501 NZ LYS A 28 -18.639 42.855 -6.287 1.00 22.40 N ATOM 0 H LYS A 28 -17.686 37.540 -8.372 1.00 33.11 H new ATOM 0 HA LYS A 28 -20.270 38.249 -7.669 1.00 12.44 H new ATOM 0 HB2 LYS A 28 -18.188 39.094 -9.520 1.00 13.23 H new ATOM 0 HB3 LYS A 28 -19.762 39.251 -10.274 1.00 13.23 H new ATOM 0 HG2 LYS A 28 -19.851 41.252 -9.234 1.00 0.20 H new ATOM 0 HG3 LYS A 28 -20.270 40.331 -7.804 1.00 0.20 H new ATOM 0 HD2 LYS A 28 -18.118 40.477 -6.898 1.00 34.13 H new ATOM 0 HD3 LYS A 28 -17.355 40.686 -8.461 1.00 34.13 H new ATOM 0 HE2 LYS A 28 -17.244 42.879 -7.881 1.00 11.42 H new ATOM 0 HE3 LYS A 28 -18.922 42.930 -8.385 1.00 11.42 H new ATOM 0 HZ1 LYS A 28 -18.635 43.891 -6.195 1.00 22.40 H new ATOM 0 HZ2 LYS A 28 -19.595 42.494 -6.094 1.00 22.40 H new ATOM 0 HZ3 LYS A 28 -17.969 42.445 -5.605 1.00 22.40 H new ATOM 515 N LYS A 29 -20.163 36.618 -10.552 1.00 40.31 N ATOM 516 CA LYS A 29 -20.966 35.832 -11.481 1.00 21.21 C ATOM 517 C LYS A 29 -21.607 34.642 -10.774 1.00 25.14 C ATOM 518 O LYS A 29 -22.820 34.450 -10.838 1.00 33.14 O ATOM 519 CB LYS A 29 -20.102 35.342 -12.645 1.00 72.05 C ATOM 520 CG LYS A 29 -20.882 35.121 -13.930 1.00 42.42 C ATOM 521 CD LYS A 29 -19.981 35.210 -15.151 1.00 35.20 C ATOM 522 CE LYS A 29 -20.784 35.466 -16.418 1.00 25.42 C ATOM 523 NZ LYS A 29 -21.201 34.197 -17.076 1.00 31.53 N ATOM 0 H LYS A 29 -19.184 36.718 -10.821 1.00 40.31 H new ATOM 0 HA LYS A 29 -21.759 36.472 -11.869 1.00 21.21 H new ATOM 0 HB2 LYS A 29 -19.311 36.069 -12.830 1.00 72.05 H new ATOM 0 HB3 LYS A 29 -19.617 34.409 -12.359 1.00 72.05 H new ATOM 0 HG2 LYS A 29 -21.362 34.143 -13.902 1.00 42.42 H new ATOM 0 HG3 LYS A 29 -21.676 35.864 -14.007 1.00 42.42 H new ATOM 0 HD2 LYS A 29 -19.255 36.011 -15.011 1.00 35.20 H new ATOM 0 HD3 LYS A 29 -19.417 34.283 -15.257 1.00 35.20 H new ATOM 0 HE2 LYS A 29 -21.667 36.056 -16.175 1.00 25.42 H new ATOM 0 HE3 LYS A 29 -20.187 36.057 -17.113 1.00 25.42 H new ATOM 0 HZ1 LYS A 29 -21.745 34.414 -17.935 1.00 31.53 H new ATOM 0 HZ2 LYS A 29 -20.357 33.645 -17.331 1.00 31.53 H new ATOM 0 HZ3 LYS A 29 -21.792 33.645 -16.422 1.00 31.53 H new ATOM 537 N ALA A 30 -20.783 33.847 -10.099 1.00 22.14 N ATOM 538 CA ALA A 30 -21.270 32.678 -9.377 1.00 1.14 C ATOM 539 C ALA A 30 -22.416 33.049 -8.441 1.00 62.02 C ATOM 540 O ALA A 30 -23.432 32.356 -8.383 1.00 33.23 O ATOM 541 CB ALA A 30 -20.137 32.030 -8.595 1.00 44.30 C ATOM 0 H ALA A 30 -19.775 33.991 -10.037 1.00 22.14 H new ATOM 0 HA ALA A 30 -21.648 31.963 -10.107 1.00 1.14 H new ATOM 0 HB1 ALA A 30 -20.515 31.158 -8.061 1.00 44.30 H new ATOM 0 HB2 ALA A 30 -19.350 31.720 -9.283 1.00 44.30 H new ATOM 0 HB3 ALA A 30 -19.732 32.746 -7.880 1.00 44.30 H new ATOM 547 N LEU A 31 -22.245 34.145 -7.710 1.00 54.24 N ATOM 548 CA LEU A 31 -23.266 34.608 -6.776 1.00 42.23 C ATOM 549 C LEU A 31 -24.571 34.914 -7.504 1.00 12.35 C ATOM 550 O LEU A 31 -25.605 34.305 -7.229 1.00 72.13 O ATOM 551 CB LEU A 31 -22.778 35.854 -6.034 1.00 31.52 C ATOM 552 CG LEU A 31 -23.742 36.440 -5.001 1.00 62.24 C ATOM 553 CD1 LEU A 31 -23.890 35.500 -3.815 1.00 72.54 C ATOM 554 CD2 LEU A 31 -23.263 37.809 -4.542 1.00 42.20 C ATOM 0 H LEU A 31 -21.410 34.729 -7.746 1.00 54.24 H new ATOM 0 HA LEU A 31 -23.452 33.812 -6.055 1.00 42.23 H new ATOM 0 HB2 LEU A 31 -21.842 35.610 -5.531 1.00 31.52 H new ATOM 0 HB3 LEU A 31 -22.552 36.626 -6.770 1.00 31.52 H new ATOM 0 HG LEU A 31 -24.719 36.557 -5.469 1.00 62.24 H new ATOM 0 HD11 LEU A 31 -24.579 35.934 -3.091 1.00 72.54 H new ATOM 0 HD12 LEU A 31 -24.279 34.541 -4.157 1.00 72.54 H new ATOM 0 HD13 LEU A 31 -22.918 35.350 -3.346 1.00 72.54 H new ATOM 0 HD21 LEU A 31 -23.961 38.211 -3.807 1.00 42.20 H new ATOM 0 HD22 LEU A 31 -22.275 37.716 -4.091 1.00 42.20 H new ATOM 0 HD23 LEU A 31 -23.210 38.482 -5.398 1.00 42.20 H new ATOM 566 N LYS A 32 -24.516 35.861 -8.434 1.00 10.42 N ATOM 567 CA LYS A 32 -25.692 36.247 -9.204 1.00 53.13 C ATOM 568 C LYS A 32 -26.359 35.025 -9.828 1.00 10.12 C ATOM 569 O LYS A 32 -27.575 34.856 -9.739 1.00 54.32 O ATOM 570 CB LYS A 32 -25.306 37.245 -10.299 1.00 21.52 C ATOM 571 CG LYS A 32 -25.536 38.694 -9.909 1.00 43.41 C ATOM 572 CD LYS A 32 -24.847 39.647 -10.872 1.00 65.41 C ATOM 573 CE LYS A 32 -25.245 41.091 -10.608 1.00 64.24 C ATOM 574 NZ LYS A 32 -24.404 41.713 -9.548 1.00 73.00 N ATOM 0 H LYS A 32 -23.668 36.376 -8.673 1.00 10.42 H new ATOM 0 HA LYS A 32 -26.401 36.719 -8.524 1.00 53.13 H new ATOM 0 HB2 LYS A 32 -24.254 37.108 -10.550 1.00 21.52 H new ATOM 0 HB3 LYS A 32 -25.880 37.024 -11.199 1.00 21.52 H new ATOM 0 HG2 LYS A 32 -26.606 38.902 -9.893 1.00 43.41 H new ATOM 0 HG3 LYS A 32 -25.163 38.863 -8.899 1.00 43.41 H new ATOM 0 HD2 LYS A 32 -23.766 39.543 -10.777 1.00 65.41 H new ATOM 0 HD3 LYS A 32 -25.104 39.379 -11.897 1.00 65.41 H new ATOM 0 HE2 LYS A 32 -25.154 41.667 -11.529 1.00 64.24 H new ATOM 0 HE3 LYS A 32 -26.293 41.130 -10.310 1.00 64.24 H new ATOM 0 HZ1 LYS A 32 -24.706 42.697 -9.397 1.00 73.00 H new ATOM 0 HZ2 LYS A 32 -24.511 41.179 -8.662 1.00 73.00 H new ATOM 0 HZ3 LYS A 32 -23.407 41.699 -9.843 1.00 73.00 H new ATOM 588 N PHE A 33 -25.555 34.175 -10.457 1.00 60.42 N ATOM 589 CA PHE A 33 -26.068 32.967 -11.095 1.00 5.50 C ATOM 590 C PHE A 33 -26.898 32.145 -10.114 1.00 25.40 C ATOM 591 O PHE A 33 -28.083 31.904 -10.337 1.00 32.34 O ATOM 592 CB PHE A 33 -24.913 32.123 -11.638 1.00 32.41 C ATOM 593 CG PHE A 33 -25.227 31.447 -12.942 1.00 63.21 C ATOM 594 CD1 PHE A 33 -26.431 30.787 -13.124 1.00 15.12 C ATOM 595 CD2 PHE A 33 -24.316 31.471 -13.986 1.00 72.24 C ATOM 596 CE1 PHE A 33 -26.723 30.164 -14.323 1.00 13.52 C ATOM 597 CE2 PHE A 33 -24.603 30.850 -15.188 1.00 3.53 C ATOM 598 CZ PHE A 33 -25.807 30.195 -15.356 1.00 11.43 C ATOM 0 H PHE A 33 -24.546 34.299 -10.539 1.00 60.42 H new ATOM 0 HA PHE A 33 -26.710 33.267 -11.923 1.00 5.50 H new ATOM 0 HB2 PHE A 33 -24.038 32.760 -11.769 1.00 32.41 H new ATOM 0 HB3 PHE A 33 -24.648 31.366 -10.900 1.00 32.41 H new ATOM 0 HD1 PHE A 33 -27.151 30.759 -12.319 1.00 15.12 H new ATOM 0 HD2 PHE A 33 -23.372 31.980 -13.860 1.00 72.24 H new ATOM 0 HE1 PHE A 33 -27.666 29.654 -14.452 1.00 13.52 H new ATOM 0 HE2 PHE A 33 -23.886 30.877 -15.995 1.00 3.53 H new ATOM 0 HZ PHE A 33 -26.032 29.708 -16.293 1.00 11.43 H new ATOM 608 N GLY A 34 -26.264 31.715 -9.027 1.00 1.13 N ATOM 609 CA GLY A 34 -26.958 30.923 -8.028 1.00 1.31 C ATOM 610 C GLY A 34 -28.177 31.632 -7.471 1.00 24.43 C ATOM 611 O GLY A 34 -29.262 31.055 -7.402 1.00 54.13 O ATOM 0 H GLY A 34 -25.283 31.901 -8.821 1.00 1.13 H new ATOM 0 HA2 GLY A 34 -27.263 29.974 -8.469 1.00 1.31 H new ATOM 0 HA3 GLY A 34 -26.273 30.690 -7.213 1.00 1.31 H new ATOM 615 N LYS A 35 -27.998 32.886 -7.069 1.00 72.43 N ATOM 616 CA LYS A 35 -29.091 33.675 -6.514 1.00 74.33 C ATOM 617 C LYS A 35 -30.299 33.662 -7.446 1.00 33.23 C ATOM 618 O LYS A 35 -31.380 33.210 -7.068 1.00 62.22 O ATOM 619 CB LYS A 35 -28.636 35.116 -6.272 1.00 70.44 C ATOM 620 CG LYS A 35 -29.551 35.895 -5.344 1.00 31.13 C ATOM 621 CD LYS A 35 -28.885 37.164 -4.840 1.00 43.33 C ATOM 622 CE LYS A 35 -29.909 38.241 -4.517 1.00 52.11 C ATOM 623 NZ LYS A 35 -29.973 38.526 -3.057 1.00 21.42 N ATOM 0 H LYS A 35 -27.106 33.378 -7.117 1.00 72.43 H new ATOM 0 HA LYS A 35 -29.382 33.228 -5.563 1.00 74.33 H new ATOM 0 HB2 LYS A 35 -27.630 35.105 -5.852 1.00 70.44 H new ATOM 0 HB3 LYS A 35 -28.576 35.635 -7.229 1.00 70.44 H new ATOM 0 HG2 LYS A 35 -30.472 36.150 -5.869 1.00 31.13 H new ATOM 0 HG3 LYS A 35 -29.830 35.269 -4.497 1.00 31.13 H new ATOM 0 HD2 LYS A 35 -28.299 36.939 -3.949 1.00 43.33 H new ATOM 0 HD3 LYS A 35 -28.190 37.535 -5.593 1.00 43.33 H new ATOM 0 HE2 LYS A 35 -29.657 39.155 -5.055 1.00 52.11 H new ATOM 0 HE3 LYS A 35 -30.891 37.925 -4.869 1.00 52.11 H new ATOM 0 HZ1 LYS A 35 -30.682 39.265 -2.878 1.00 21.42 H new ATOM 0 HZ2 LYS A 35 -30.239 37.660 -2.546 1.00 21.42 H new ATOM 0 HZ3 LYS A 35 -29.043 38.852 -2.726 1.00 21.42 H new ATOM 637 N GLN A 36 -30.107 34.159 -8.663 1.00 53.03 N ATOM 638 CA GLN A 36 -31.182 34.203 -9.648 1.00 2.20 C ATOM 639 C GLN A 36 -31.831 32.832 -9.808 1.00 3.34 C ATOM 640 O GLN A 36 -33.056 32.709 -9.803 1.00 53.42 O ATOM 641 CB GLN A 36 -30.647 34.687 -10.997 1.00 4.44 C ATOM 642 CG GLN A 36 -31.372 35.910 -11.535 1.00 45.14 C ATOM 643 CD GLN A 36 -32.689 35.562 -12.199 1.00 34.11 C ATOM 644 OE1 GLN A 36 -32.883 34.441 -12.672 1.00 2.55 O ATOM 645 NE2 GLN A 36 -33.605 36.523 -12.237 1.00 71.24 N ATOM 0 H GLN A 36 -29.218 34.537 -8.991 1.00 53.03 H new ATOM 0 HA GLN A 36 -31.938 34.903 -9.292 1.00 2.20 H new ATOM 0 HB2 GLN A 36 -29.587 34.919 -10.896 1.00 4.44 H new ATOM 0 HB3 GLN A 36 -30.729 33.878 -11.723 1.00 4.44 H new ATOM 0 HG2 GLN A 36 -31.555 36.608 -10.718 1.00 45.14 H new ATOM 0 HG3 GLN A 36 -30.731 36.421 -12.253 1.00 45.14 H new ATOM 0 HE21 GLN A 36 -33.402 37.437 -11.833 1.00 71.24 H new ATOM 0 HE22 GLN A 36 -34.511 36.347 -12.670 1.00 71.24 H new ATOM 654 N LEU A 37 -31.002 31.804 -9.949 1.00 23.12 N ATOM 655 CA LEU A 37 -31.495 30.440 -10.110 1.00 44.43 C ATOM 656 C LEU A 37 -32.432 30.061 -8.968 1.00 41.31 C ATOM 657 O LEU A 37 -33.461 29.421 -9.183 1.00 4.02 O ATOM 658 CB LEU A 37 -30.324 29.458 -10.172 1.00 61.20 C ATOM 659 CG LEU A 37 -30.271 28.554 -11.404 1.00 22.41 C ATOM 660 CD1 LEU A 37 -29.100 28.936 -12.297 1.00 33.35 C ATOM 661 CD2 LEU A 37 -30.173 27.093 -10.989 1.00 70.33 C ATOM 0 H LEU A 37 -29.986 31.888 -9.955 1.00 23.12 H new ATOM 0 HA LEU A 37 -32.053 30.390 -11.045 1.00 44.43 H new ATOM 0 HB2 LEU A 37 -29.396 30.027 -10.123 1.00 61.20 H new ATOM 0 HB3 LEU A 37 -30.358 28.827 -9.284 1.00 61.20 H new ATOM 0 HG LEU A 37 -31.192 28.690 -11.970 1.00 22.41 H new ATOM 0 HD11 LEU A 37 -29.079 28.282 -13.169 1.00 33.35 H new ATOM 0 HD12 LEU A 37 -29.213 29.970 -12.622 1.00 33.35 H new ATOM 0 HD13 LEU A 37 -28.169 28.830 -11.741 1.00 33.35 H new ATOM 0 HD21 LEU A 37 -30.136 26.464 -11.878 1.00 70.33 H new ATOM 0 HD22 LEU A 37 -29.268 26.942 -10.400 1.00 70.33 H new ATOM 0 HD23 LEU A 37 -31.044 26.825 -10.391 1.00 70.33 H new ATOM 673 N ALA A 38 -32.070 30.463 -7.754 1.00 44.12 N ATOM 674 CA ALA A 38 -32.880 30.169 -6.579 1.00 11.32 C ATOM 675 C ALA A 38 -34.088 31.097 -6.499 1.00 60.31 C ATOM 676 O ALA A 38 -35.108 30.755 -5.900 1.00 2.11 O ATOM 677 CB ALA A 38 -32.039 30.285 -5.316 1.00 34.31 C ATOM 0 H ALA A 38 -31.221 30.993 -7.559 1.00 44.12 H new ATOM 0 HA ALA A 38 -33.245 29.146 -6.667 1.00 11.32 H new ATOM 0 HB1 ALA A 38 -32.657 30.063 -4.446 1.00 34.31 H new ATOM 0 HB2 ALA A 38 -31.211 29.577 -5.364 1.00 34.31 H new ATOM 0 HB3 ALA A 38 -31.646 31.298 -5.233 1.00 34.31 H new ATOM 683 N LYS A 39 -33.967 32.272 -7.106 1.00 45.24 N ATOM 684 CA LYS A 39 -35.048 33.250 -7.105 1.00 73.12 C ATOM 685 C LYS A 39 -36.276 32.704 -7.828 1.00 2.05 C ATOM 686 O LYS A 39 -37.410 33.011 -7.463 1.00 3.43 O ATOM 687 CB LYS A 39 -34.589 34.550 -7.769 1.00 40.01 C ATOM 688 CG LYS A 39 -34.497 35.724 -6.809 1.00 61.43 C ATOM 689 CD LYS A 39 -35.719 36.622 -6.908 1.00 24.32 C ATOM 690 CE LYS A 39 -35.762 37.630 -5.770 1.00 53.20 C ATOM 691 NZ LYS A 39 -34.827 38.766 -5.999 1.00 64.32 N ATOM 0 H LYS A 39 -33.130 32.571 -7.606 1.00 45.24 H new ATOM 0 HA LYS A 39 -35.318 33.454 -6.069 1.00 73.12 H new ATOM 0 HB2 LYS A 39 -33.613 34.389 -8.228 1.00 40.01 H new ATOM 0 HB3 LYS A 39 -35.281 34.802 -8.572 1.00 40.01 H new ATOM 0 HG2 LYS A 39 -34.398 35.354 -5.789 1.00 61.43 H new ATOM 0 HG3 LYS A 39 -33.600 36.304 -7.026 1.00 61.43 H new ATOM 0 HD2 LYS A 39 -35.709 37.149 -7.862 1.00 24.32 H new ATOM 0 HD3 LYS A 39 -36.622 36.012 -6.890 1.00 24.32 H new ATOM 0 HE2 LYS A 39 -36.777 38.012 -5.661 1.00 53.20 H new ATOM 0 HE3 LYS A 39 -35.507 37.132 -4.834 1.00 53.20 H new ATOM 0 HZ1 LYS A 39 -34.886 39.431 -5.201 1.00 64.32 H new ATOM 0 HZ2 LYS A 39 -33.855 38.405 -6.077 1.00 64.32 H new ATOM 0 HZ3 LYS A 39 -35.086 39.257 -6.878 1.00 64.32 H new