USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 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 16 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 13 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 10 THR OG1 : rot 97:sc= 1.3 USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.183) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.173 (180deg=-0.801) 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= -0.138 K(o=-0.14,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -1.545 7.230 -3.378 1.00 44.15 N ATOM 66 CA TRP A 4 -1.168 8.547 -2.876 1.00 65.53 C ATOM 67 C TRP A 4 -1.625 9.645 -3.830 1.00 34.41 C ATOM 68 O TRP A 4 -1.865 10.778 -3.417 1.00 11.32 O ATOM 69 CB TRP A 4 0.347 8.625 -2.678 1.00 61.22 C ATOM 70 CG TRP A 4 0.809 8.024 -1.385 1.00 12.20 C ATOM 71 CD1 TRP A 4 1.493 6.853 -1.223 1.00 40.42 C ATOM 72 CD2 TRP A 4 0.618 8.564 -0.073 1.00 12.22 C ATOM 73 NE1 TRP A 4 1.739 6.633 0.111 1.00 51.03 N ATOM 74 CE2 TRP A 4 1.213 7.668 0.837 1.00 11.50 C ATOM 75 CE3 TRP A 4 0.004 9.718 0.422 1.00 41.00 C ATOM 76 CZ2 TRP A 4 1.210 7.892 2.211 1.00 14.03 C ATOM 77 CZ3 TRP A 4 0.001 9.938 1.786 1.00 4.32 C ATOM 78 CH2 TRP A 4 0.601 9.030 2.668 1.00 25.40 C ATOM 0 HA TRP A 4 -1.662 8.697 -1.916 1.00 65.53 H new ATOM 0 HB2 TRP A 4 0.841 8.114 -3.505 1.00 61.22 H new ATOM 0 HB3 TRP A 4 0.658 9.669 -2.717 1.00 61.22 H new ATOM 0 HD1 TRP A 4 1.796 6.197 -2.025 1.00 40.42 H new ATOM 0 HE1 TRP A 4 2.233 5.829 0.498 1.00 51.03 H new ATOM 0 HE3 TRP A 4 -0.460 10.425 -0.250 1.00 41.00 H new ATOM 0 HZ2 TRP A 4 1.672 7.193 2.892 1.00 14.03 H new ATOM 0 HZ3 TRP A 4 -0.472 10.826 2.179 1.00 4.32 H new ATOM 0 HH2 TRP A 4 0.583 9.231 3.729 1.00 25.40 H new ATOM 89 N GLY A 5 -1.745 9.300 -5.109 1.00 11.33 N ATOM 90 CA GLY A 5 -2.174 10.269 -6.101 1.00 32.24 C ATOM 91 C GLY A 5 -3.492 10.924 -5.739 1.00 10.44 C ATOM 92 O GLY A 5 -3.753 12.065 -6.123 1.00 33.35 O ATOM 0 H GLY A 5 -1.553 8.368 -5.475 1.00 11.33 H new ATOM 0 HA2 GLY A 5 -1.408 11.037 -6.210 1.00 32.24 H new ATOM 0 HA3 GLY A 5 -2.270 9.776 -7.068 1.00 32.24 H new ATOM 96 N LYS A 6 -4.327 10.202 -4.998 1.00 45.54 N ATOM 97 CA LYS A 6 -5.625 10.720 -4.584 1.00 74.41 C ATOM 98 C LYS A 6 -5.463 11.920 -3.657 1.00 44.13 C ATOM 99 O LYS A 6 -6.019 12.990 -3.907 1.00 51.23 O ATOM 100 CB LYS A 6 -6.432 9.625 -3.882 1.00 15.32 C ATOM 101 CG LYS A 6 -7.468 8.965 -4.775 1.00 62.35 C ATOM 102 CD LYS A 6 -8.331 7.985 -3.999 1.00 15.34 C ATOM 103 CE LYS A 6 -8.902 6.905 -4.905 1.00 25.45 C ATOM 104 NZ LYS A 6 -8.587 5.538 -4.403 1.00 54.03 N ATOM 0 H LYS A 6 -4.127 9.256 -4.672 1.00 45.54 H new ATOM 0 HA LYS A 6 -6.161 11.044 -5.476 1.00 74.41 H new ATOM 0 HB2 LYS A 6 -5.747 8.863 -3.510 1.00 15.32 H new ATOM 0 HB3 LYS A 6 -6.933 10.054 -3.015 1.00 15.32 H new ATOM 0 HG2 LYS A 6 -8.100 9.730 -5.226 1.00 62.35 H new ATOM 0 HG3 LYS A 6 -6.967 8.443 -5.591 1.00 62.35 H new ATOM 0 HD2 LYS A 6 -7.738 7.523 -3.210 1.00 15.34 H new ATOM 0 HD3 LYS A 6 -9.146 8.522 -3.513 1.00 15.34 H new ATOM 0 HE2 LYS A 6 -9.983 7.025 -4.977 1.00 25.45 H new ATOM 0 HE3 LYS A 6 -8.500 7.024 -5.911 1.00 25.45 H new ATOM 0 HZ1 LYS A 6 -8.993 4.830 -5.047 1.00 54.03 H new ATOM 0 HZ2 LYS A 6 -7.555 5.414 -4.358 1.00 54.03 H new ATOM 0 HZ3 LYS A 6 -8.993 5.415 -3.453 1.00 54.03 H new ATOM 118 N LEU A 7 -4.696 11.736 -2.588 1.00 52.40 N ATOM 119 CA LEU A 7 -4.459 12.805 -1.624 1.00 44.52 C ATOM 120 C LEU A 7 -3.680 13.951 -2.263 1.00 2.14 C ATOM 121 O LEU A 7 -3.984 15.123 -2.039 1.00 20.00 O ATOM 122 CB LEU A 7 -3.695 12.267 -0.413 1.00 63.23 C ATOM 123 CG LEU A 7 -4.265 12.634 0.957 1.00 24.33 C ATOM 124 CD1 LEU A 7 -3.594 11.816 2.050 1.00 13.04 C ATOM 125 CD2 LEU A 7 -4.097 14.123 1.224 1.00 64.45 C ATOM 0 H LEU A 7 -4.228 10.857 -2.367 1.00 52.40 H new ATOM 0 HA LEU A 7 -5.426 13.186 -1.296 1.00 44.52 H new ATOM 0 HB2 LEU A 7 -3.654 11.180 -0.488 1.00 63.23 H new ATOM 0 HB3 LEU A 7 -2.668 12.629 -0.466 1.00 63.23 H new ATOM 0 HG LEU A 7 -5.330 12.403 0.960 1.00 24.33 H new ATOM 0 HD11 LEU A 7 -4.012 12.090 3.018 1.00 13.04 H new ATOM 0 HD12 LEU A 7 -3.766 10.755 1.868 1.00 13.04 H new ATOM 0 HD13 LEU A 7 -2.522 12.015 2.048 1.00 13.04 H new ATOM 0 HD21 LEU A 7 -4.509 14.366 2.204 1.00 64.45 H new ATOM 0 HD22 LEU A 7 -3.038 14.379 1.202 1.00 64.45 H new ATOM 0 HD23 LEU A 7 -4.624 14.692 0.458 1.00 64.45 H new ATOM 137 N PHE A 8 -2.675 13.604 -3.060 1.00 41.51 N ATOM 138 CA PHE A 8 -1.853 14.604 -3.733 1.00 21.24 C ATOM 139 C PHE A 8 -2.689 15.432 -4.703 1.00 54.51 C ATOM 140 O PHE A 8 -2.738 16.659 -4.607 1.00 65.33 O ATOM 141 CB PHE A 8 -0.702 13.928 -4.482 1.00 13.34 C ATOM 142 CG PHE A 8 0.649 14.218 -3.892 1.00 75.21 C ATOM 143 CD1 PHE A 8 0.999 13.715 -2.649 1.00 71.15 C ATOM 144 CD2 PHE A 8 1.568 14.992 -4.581 1.00 1.32 C ATOM 145 CE1 PHE A 8 2.241 13.981 -2.105 1.00 30.44 C ATOM 146 CE2 PHE A 8 2.812 15.261 -4.041 1.00 71.01 C ATOM 147 CZ PHE A 8 3.149 14.753 -2.802 1.00 10.53 C ATOM 0 H PHE A 8 -2.410 12.639 -3.256 1.00 41.51 H new ATOM 0 HA PHE A 8 -1.442 15.271 -2.975 1.00 21.24 H new ATOM 0 HB2 PHE A 8 -0.864 12.850 -4.485 1.00 13.34 H new ATOM 0 HB3 PHE A 8 -0.714 14.255 -5.522 1.00 13.34 H new ATOM 0 HD1 PHE A 8 0.294 13.109 -2.100 1.00 71.15 H new ATOM 0 HD2 PHE A 8 1.310 15.390 -5.551 1.00 1.32 H new ATOM 0 HE1 PHE A 8 2.502 13.585 -1.135 1.00 30.44 H new ATOM 0 HE2 PHE A 8 3.519 15.868 -4.587 1.00 71.01 H new ATOM 0 HZ PHE A 8 4.121 14.959 -2.379 1.00 10.53 H new ATOM 157 N SER A 9 -3.347 14.753 -5.638 1.00 4.23 N ATOM 158 CA SER A 9 -4.178 15.426 -6.629 1.00 61.21 C ATOM 159 C SER A 9 -5.265 16.256 -5.953 1.00 43.53 C ATOM 160 O SER A 9 -5.396 17.454 -6.207 1.00 52.34 O ATOM 161 CB SER A 9 -4.814 14.402 -7.571 1.00 54.01 C ATOM 162 OG SER A 9 -5.521 15.043 -8.619 1.00 2.21 O ATOM 0 H SER A 9 -3.320 13.737 -5.730 1.00 4.23 H new ATOM 0 HA SER A 9 -3.541 16.095 -7.207 1.00 61.21 H new ATOM 0 HB2 SER A 9 -4.040 13.759 -7.990 1.00 54.01 H new ATOM 0 HB3 SER A 9 -5.493 13.760 -7.010 1.00 54.01 H new ATOM 0 HG SER A 9 -5.917 14.367 -9.208 1.00 2.21 H new ATOM 168 N THR A 10 -6.043 15.611 -5.090 1.00 1.33 N ATOM 169 CA THR A 10 -7.119 16.288 -4.377 1.00 52.24 C ATOM 170 C THR A 10 -6.606 17.528 -3.655 1.00 3.40 C ATOM 171 O THR A 10 -7.131 18.626 -3.837 1.00 11.22 O ATOM 172 CB THR A 10 -7.791 15.353 -3.354 1.00 63.01 C ATOM 173 OG1 THR A 10 -8.334 14.207 -4.020 1.00 3.42 O ATOM 174 CG2 THR A 10 -8.895 16.079 -2.601 1.00 32.11 C ATOM 0 H THR A 10 -5.948 14.620 -4.868 1.00 1.33 H new ATOM 0 HA THR A 10 -7.855 16.585 -5.124 1.00 52.24 H new ATOM 0 HB THR A 10 -7.035 15.032 -2.637 1.00 63.01 H new ATOM 0 HG1 THR A 10 -7.701 13.462 -3.958 1.00 3.42 H new ATOM 0 HG21 THR A 10 -9.355 15.399 -1.884 1.00 32.11 H new ATOM 0 HG22 THR A 10 -8.473 16.933 -2.071 1.00 32.11 H new ATOM 0 HG23 THR A 10 -9.649 16.426 -3.307 1.00 32.11 H new ATOM 182 N ALA A 11 -5.576 17.346 -2.835 1.00 44.04 N ATOM 183 CA ALA A 11 -4.989 18.451 -2.088 1.00 13.44 C ATOM 184 C ALA A 11 -4.609 19.601 -3.015 1.00 21.33 C ATOM 185 O ALA A 11 -4.987 20.749 -2.784 1.00 54.55 O ATOM 186 CB ALA A 11 -3.773 17.975 -1.308 1.00 62.30 C ATOM 0 H ALA A 11 -5.131 16.443 -2.671 1.00 44.04 H new ATOM 0 HA ALA A 11 -5.736 18.818 -1.385 1.00 13.44 H new ATOM 0 HB1 ALA A 11 -3.345 18.811 -0.755 1.00 62.30 H new ATOM 0 HB2 ALA A 11 -4.072 17.193 -0.610 1.00 62.30 H new ATOM 0 HB3 ALA A 11 -3.029 17.579 -2.000 1.00 62.30 H new ATOM 192 N LYS A 12 -3.857 19.285 -4.064 1.00 33.52 N ATOM 193 CA LYS A 12 -3.425 20.290 -5.027 1.00 53.21 C ATOM 194 C LYS A 12 -4.618 21.069 -5.572 1.00 40.41 C ATOM 195 O LYS A 12 -4.632 22.300 -5.549 1.00 0.35 O ATOM 196 CB LYS A 12 -2.665 19.629 -6.179 1.00 41.21 C ATOM 197 CG LYS A 12 -1.562 20.499 -6.758 1.00 31.51 C ATOM 198 CD LYS A 12 -1.159 20.036 -8.148 1.00 22.21 C ATOM 199 CE LYS A 12 0.347 20.111 -8.345 1.00 64.03 C ATOM 200 NZ LYS A 12 0.882 21.464 -8.026 1.00 32.21 N ATOM 0 H LYS A 12 -3.534 18.339 -4.269 1.00 33.52 H new ATOM 0 HA LYS A 12 -2.762 20.987 -4.515 1.00 53.21 H new ATOM 0 HB2 LYS A 12 -2.231 18.693 -5.827 1.00 41.21 H new ATOM 0 HB3 LYS A 12 -3.370 19.376 -6.971 1.00 41.21 H new ATOM 0 HG2 LYS A 12 -1.899 21.535 -6.802 1.00 31.51 H new ATOM 0 HG3 LYS A 12 -0.694 20.474 -6.099 1.00 31.51 H new ATOM 0 HD2 LYS A 12 -1.497 19.011 -8.304 1.00 22.21 H new ATOM 0 HD3 LYS A 12 -1.656 20.653 -8.897 1.00 22.21 H new ATOM 0 HE2 LYS A 12 0.833 19.370 -7.711 1.00 64.03 H new ATOM 0 HE3 LYS A 12 0.591 19.858 -9.377 1.00 64.03 H new ATOM 0 HZ1 LYS A 12 1.839 21.561 -8.421 1.00 32.21 H new ATOM 0 HZ2 LYS A 12 0.262 22.189 -8.440 1.00 32.21 H new ATOM 0 HZ3 LYS A 12 0.919 21.588 -6.994 1.00 32.21 H new ATOM 214 N LYS A 13 -5.618 20.345 -6.061 1.00 75.15 N ATOM 215 CA LYS A 13 -6.818 20.967 -6.610 1.00 4.30 C ATOM 216 C LYS A 13 -7.424 21.951 -5.615 1.00 3.44 C ATOM 217 O LYS A 13 -7.589 23.134 -5.917 1.00 63.12 O ATOM 218 CB LYS A 13 -7.849 19.898 -6.979 1.00 2.32 C ATOM 219 CG LYS A 13 -8.618 20.208 -8.251 1.00 43.45 C ATOM 220 CD LYS A 13 -8.094 19.404 -9.430 1.00 4.55 C ATOM 221 CE LYS A 13 -8.774 18.047 -9.525 1.00 3.32 C ATOM 222 NZ LYS A 13 -7.930 17.053 -10.244 1.00 42.31 N ATOM 0 H LYS A 13 -5.622 19.325 -6.089 1.00 75.15 H new ATOM 0 HA LYS A 13 -6.534 21.514 -7.509 1.00 4.30 H new ATOM 0 HB2 LYS A 13 -7.341 18.941 -7.096 1.00 2.32 H new ATOM 0 HB3 LYS A 13 -8.555 19.786 -6.156 1.00 2.32 H new ATOM 0 HG2 LYS A 13 -9.675 19.988 -8.101 1.00 43.45 H new ATOM 0 HG3 LYS A 13 -8.542 21.272 -8.473 1.00 43.45 H new ATOM 0 HD2 LYS A 13 -8.259 19.960 -10.353 1.00 4.55 H new ATOM 0 HD3 LYS A 13 -7.017 19.266 -9.328 1.00 4.55 H new ATOM 0 HE2 LYS A 13 -8.993 17.680 -8.522 1.00 3.32 H new ATOM 0 HE3 LYS A 13 -9.728 18.154 -10.041 1.00 3.32 H new ATOM 0 HZ1 LYS A 13 -8.428 16.141 -10.288 1.00 42.31 H new ATOM 0 HZ2 LYS A 13 -7.742 17.391 -11.209 1.00 42.31 H new ATOM 0 HZ3 LYS A 13 -7.030 16.931 -9.738 1.00 42.31 H new ATOM 236 N LEU A 14 -7.752 21.457 -4.426 1.00 74.23 N ATOM 237 CA LEU A 14 -8.339 22.293 -3.385 1.00 40.40 C ATOM 238 C LEU A 14 -7.496 23.542 -3.150 1.00 44.45 C ATOM 239 O LEU A 14 -8.026 24.645 -3.012 1.00 21.02 O ATOM 240 CB LEU A 14 -8.472 21.502 -2.083 1.00 15.34 C ATOM 241 CG LEU A 14 -9.895 21.123 -1.670 1.00 53.42 C ATOM 242 CD1 LEU A 14 -9.885 20.364 -0.353 1.00 1.35 C ATOM 243 CD2 LEU A 14 -10.769 22.365 -1.566 1.00 2.13 C ATOM 0 H LEU A 14 -7.621 20.481 -4.159 1.00 74.23 H new ATOM 0 HA LEU A 14 -9.330 22.603 -3.718 1.00 40.40 H new ATOM 0 HB2 LEU A 14 -7.886 20.587 -2.176 1.00 15.34 H new ATOM 0 HB3 LEU A 14 -8.025 22.087 -1.279 1.00 15.34 H new ATOM 0 HG LEU A 14 -10.314 20.472 -2.437 1.00 53.42 H new ATOM 0 HD11 LEU A 14 -10.906 20.103 -0.076 1.00 1.35 H new ATOM 0 HD12 LEU A 14 -9.295 19.454 -0.462 1.00 1.35 H new ATOM 0 HD13 LEU A 14 -9.447 20.990 0.424 1.00 1.35 H new ATOM 0 HD21 LEU A 14 -11.778 22.076 -1.271 1.00 2.13 H new ATOM 0 HD22 LEU A 14 -10.352 23.042 -0.820 1.00 2.13 H new ATOM 0 HD23 LEU A 14 -10.803 22.868 -2.533 1.00 2.13 H new ATOM 255 N TYR A 15 -6.180 23.362 -3.109 1.00 52.43 N ATOM 256 CA TYR A 15 -5.263 24.475 -2.892 1.00 21.24 C ATOM 257 C TYR A 15 -5.434 25.541 -3.970 1.00 24.43 C ATOM 258 O TYR A 15 -5.780 26.686 -3.679 1.00 22.22 O ATOM 259 CB TYR A 15 -3.817 23.976 -2.877 1.00 32.44 C ATOM 260 CG TYR A 15 -2.793 25.087 -2.832 1.00 12.25 C ATOM 261 CD1 TYR A 15 -2.288 25.641 -4.001 1.00 52.32 C ATOM 262 CD2 TYR A 15 -2.331 25.584 -1.619 1.00 34.12 C ATOM 263 CE1 TYR A 15 -1.352 26.656 -3.965 1.00 11.45 C ATOM 264 CE2 TYR A 15 -1.396 26.600 -1.573 1.00 34.15 C ATOM 265 CZ TYR A 15 -0.909 27.132 -2.748 1.00 15.50 C ATOM 266 OH TYR A 15 0.022 28.145 -2.707 1.00 70.42 O ATOM 0 H TYR A 15 -5.725 22.456 -3.223 1.00 52.43 H new ATOM 0 HA TYR A 15 -5.497 24.922 -1.926 1.00 21.24 H new ATOM 0 HB2 TYR A 15 -3.675 23.327 -2.013 1.00 32.44 H new ATOM 0 HB3 TYR A 15 -3.642 23.368 -3.765 1.00 32.44 H new ATOM 0 HD1 TYR A 15 -2.633 25.272 -4.955 1.00 52.32 H new ATOM 0 HD2 TYR A 15 -2.709 25.169 -0.697 1.00 34.12 H new ATOM 0 HE1 TYR A 15 -0.969 27.075 -4.884 1.00 11.45 H new ATOM 0 HE2 TYR A 15 -1.048 26.975 -0.622 1.00 34.15 H new ATOM 0 HH TYR A 15 0.226 28.364 -1.774 1.00 70.42 H new ATOM 276 N LYS A 16 -5.188 25.155 -5.217 1.00 55.24 N ATOM 277 CA LYS A 16 -5.316 26.075 -6.342 1.00 20.42 C ATOM 278 C LYS A 16 -6.700 26.716 -6.366 1.00 4.43 C ATOM 279 O LYS A 16 -6.827 27.940 -6.401 1.00 52.43 O ATOM 280 CB LYS A 16 -5.060 25.340 -7.660 1.00 32.23 C ATOM 281 CG LYS A 16 -3.836 25.840 -8.407 1.00 55.25 C ATOM 282 CD LYS A 16 -3.934 27.327 -8.705 1.00 11.12 C ATOM 283 CE LYS A 16 -3.232 27.683 -10.006 1.00 64.53 C ATOM 284 NZ LYS A 16 -2.525 28.990 -9.916 1.00 24.02 N ATOM 0 H LYS A 16 -4.899 24.211 -5.475 1.00 55.24 H new ATOM 0 HA LYS A 16 -4.572 26.863 -6.221 1.00 20.42 H new ATOM 0 HB2 LYS A 16 -4.941 24.276 -7.456 1.00 32.23 H new ATOM 0 HB3 LYS A 16 -5.935 25.446 -8.301 1.00 32.23 H new ATOM 0 HG2 LYS A 16 -2.942 25.645 -7.815 1.00 55.25 H new ATOM 0 HG3 LYS A 16 -3.727 25.287 -9.340 1.00 55.25 H new ATOM 0 HD2 LYS A 16 -4.983 27.619 -8.765 1.00 11.12 H new ATOM 0 HD3 LYS A 16 -3.492 27.893 -7.885 1.00 11.12 H new ATOM 0 HE2 LYS A 16 -2.517 26.900 -10.259 1.00 64.53 H new ATOM 0 HE3 LYS A 16 -3.962 27.720 -10.814 1.00 64.53 H new ATOM 0 HZ1 LYS A 16 -2.088 29.212 -10.833 1.00 24.02 H new ATOM 0 HZ2 LYS A 16 -3.205 29.736 -9.667 1.00 24.02 H new ATOM 0 HZ3 LYS A 16 -1.787 28.936 -9.185 1.00 24.02 H new ATOM 298 N LYS A 17 -7.734 25.883 -6.344 1.00 61.44 N ATOM 299 CA LYS A 17 -9.109 26.368 -6.361 1.00 22.32 C ATOM 300 C LYS A 17 -9.333 27.405 -5.265 1.00 22.21 C ATOM 301 O LYS A 17 -9.903 28.467 -5.509 1.00 54.04 O ATOM 302 CB LYS A 17 -10.085 25.203 -6.182 1.00 63.51 C ATOM 303 CG LYS A 17 -10.281 24.375 -7.441 1.00 13.42 C ATOM 304 CD LYS A 17 -11.754 24.210 -7.775 1.00 34.23 C ATOM 305 CE LYS A 17 -12.333 22.956 -7.137 1.00 11.35 C ATOM 306 NZ LYS A 17 -13.805 23.065 -6.936 1.00 23.22 N ATOM 0 H LYS A 17 -7.646 24.867 -6.314 1.00 61.44 H new ATOM 0 HA LYS A 17 -9.290 26.840 -7.327 1.00 22.32 H new ATOM 0 HB2 LYS A 17 -9.722 24.555 -5.384 1.00 63.51 H new ATOM 0 HB3 LYS A 17 -11.050 25.595 -5.861 1.00 63.51 H new ATOM 0 HG2 LYS A 17 -9.769 24.853 -8.276 1.00 13.42 H new ATOM 0 HG3 LYS A 17 -9.825 23.394 -7.307 1.00 13.42 H new ATOM 0 HD2 LYS A 17 -12.307 25.084 -7.430 1.00 34.23 H new ATOM 0 HD3 LYS A 17 -11.880 24.161 -8.857 1.00 34.23 H new ATOM 0 HE2 LYS A 17 -12.115 22.094 -7.768 1.00 11.35 H new ATOM 0 HE3 LYS A 17 -11.847 22.779 -6.177 1.00 11.35 H new ATOM 0 HZ1 LYS A 17 -14.161 22.191 -6.499 1.00 23.22 H new ATOM 0 HZ2 LYS A 17 -14.012 23.872 -6.314 1.00 23.22 H new ATOM 0 HZ3 LYS A 17 -14.271 23.208 -7.855 1.00 23.22 H new ATOM 320 N GLY A 18 -8.878 27.090 -4.056 1.00 32.42 N ATOM 321 CA GLY A 18 -9.038 28.005 -2.941 1.00 43.33 C ATOM 322 C GLY A 18 -8.397 29.354 -3.203 1.00 25.34 C ATOM 323 O GLY A 18 -9.056 30.390 -3.121 1.00 12.04 O ATOM 0 H GLY A 18 -8.401 26.217 -3.829 1.00 32.42 H new ATOM 0 HA2 GLY A 18 -10.100 28.144 -2.738 1.00 43.33 H new ATOM 0 HA3 GLY A 18 -8.598 27.564 -2.047 1.00 43.33 H new ATOM 327 N LYS A 19 -7.106 29.342 -3.517 1.00 4.32 N ATOM 328 CA LYS A 19 -6.373 30.573 -3.791 1.00 14.12 C ATOM 329 C LYS A 19 -7.100 31.418 -4.833 1.00 24.32 C ATOM 330 O LYS A 19 -7.434 32.577 -4.585 1.00 24.51 O ATOM 331 CB LYS A 19 -4.958 30.252 -4.276 1.00 21.42 C ATOM 332 CG LYS A 19 -3.930 31.300 -3.889 1.00 44.53 C ATOM 333 CD LYS A 19 -3.373 32.012 -5.111 1.00 2.21 C ATOM 334 CE LYS A 19 -2.013 31.459 -5.507 1.00 24.43 C ATOM 335 NZ LYS A 19 -1.006 31.634 -4.423 1.00 61.44 N ATOM 0 H LYS A 19 -6.545 28.493 -3.588 1.00 4.32 H new ATOM 0 HA LYS A 19 -6.311 31.144 -2.864 1.00 14.12 H new ATOM 0 HB2 LYS A 19 -4.653 29.288 -3.868 1.00 21.42 H new ATOM 0 HB3 LYS A 19 -4.969 30.150 -5.361 1.00 21.42 H new ATOM 0 HG2 LYS A 19 -4.386 32.028 -3.219 1.00 44.53 H new ATOM 0 HG3 LYS A 19 -3.116 30.827 -3.340 1.00 44.53 H new ATOM 0 HD2 LYS A 19 -4.067 31.904 -5.944 1.00 2.21 H new ATOM 0 HD3 LYS A 19 -3.287 33.079 -4.904 1.00 2.21 H new ATOM 0 HE2 LYS A 19 -2.108 30.400 -5.747 1.00 24.43 H new ATOM 0 HE3 LYS A 19 -1.666 31.961 -6.410 1.00 24.43 H new ATOM 0 HZ1 LYS A 19 -0.065 31.773 -4.843 1.00 61.44 H new ATOM 0 HZ2 LYS A 19 -1.255 32.465 -3.849 1.00 61.44 H new ATOM 0 HZ3 LYS A 19 -0.995 30.787 -3.820 1.00 61.44 H new ATOM 349 N LYS A 20 -7.343 30.830 -5.999 1.00 65.14 N ATOM 350 CA LYS A 20 -8.032 31.527 -7.079 1.00 22.41 C ATOM 351 C LYS A 20 -9.390 32.042 -6.614 1.00 1.42 C ATOM 352 O LYS A 20 -9.759 33.185 -6.889 1.00 22.03 O ATOM 353 CB LYS A 20 -8.212 30.596 -8.281 1.00 10.43 C ATOM 354 CG LYS A 20 -7.007 30.557 -9.205 1.00 34.50 C ATOM 355 CD LYS A 20 -7.187 31.484 -10.395 1.00 61.23 C ATOM 356 CE LYS A 20 -5.849 31.977 -10.924 1.00 41.13 C ATOM 357 NZ LYS A 20 -5.026 30.865 -11.475 1.00 72.15 N ATOM 0 H LYS A 20 -7.073 29.872 -6.221 1.00 65.14 H new ATOM 0 HA LYS A 20 -7.422 32.380 -7.376 1.00 22.41 H new ATOM 0 HB2 LYS A 20 -8.417 29.588 -7.922 1.00 10.43 H new ATOM 0 HB3 LYS A 20 -9.085 30.915 -8.850 1.00 10.43 H new ATOM 0 HG2 LYS A 20 -6.113 30.844 -8.651 1.00 34.50 H new ATOM 0 HG3 LYS A 20 -6.850 29.537 -9.557 1.00 34.50 H new ATOM 0 HD2 LYS A 20 -7.722 30.961 -11.187 1.00 61.23 H new ATOM 0 HD3 LYS A 20 -7.801 32.336 -10.104 1.00 61.23 H new ATOM 0 HE2 LYS A 20 -6.018 32.723 -11.701 1.00 41.13 H new ATOM 0 HE3 LYS A 20 -5.301 32.471 -10.122 1.00 41.13 H new ATOM 0 HZ1 LYS A 20 -4.122 31.242 -11.825 1.00 72.15 H new ATOM 0 HZ2 LYS A 20 -4.843 30.165 -10.728 1.00 72.15 H new ATOM 0 HZ3 LYS A 20 -5.537 30.409 -12.258 1.00 72.15 H new ATOM 473 N PHE A 27 -16.953 36.182 -8.388 1.00 24.31 N ATOM 474 CA PHE A 27 -17.486 34.843 -8.165 1.00 13.02 C ATOM 475 C PHE A 27 -18.815 34.905 -7.417 1.00 22.13 C ATOM 476 O PHE A 27 -19.669 34.032 -7.571 1.00 72.04 O ATOM 477 CB PHE A 27 -16.484 33.996 -7.378 1.00 0.11 C ATOM 478 CG PHE A 27 -16.987 33.573 -6.027 1.00 62.23 C ATOM 479 CD1 PHE A 27 -17.692 32.390 -5.875 1.00 53.05 C ATOM 480 CD2 PHE A 27 -16.754 34.358 -4.910 1.00 15.24 C ATOM 481 CE1 PHE A 27 -18.156 31.997 -4.634 1.00 11.40 C ATOM 482 CE2 PHE A 27 -17.215 33.970 -3.666 1.00 14.53 C ATOM 483 CZ PHE A 27 -17.918 32.789 -3.528 1.00 12.41 C ATOM 0 HA PHE A 27 -17.657 34.380 -9.137 1.00 13.02 H new ATOM 0 HB2 PHE A 27 -16.236 33.108 -7.959 1.00 0.11 H new ATOM 0 HB3 PHE A 27 -15.561 34.562 -7.252 1.00 0.11 H new ATOM 0 HD1 PHE A 27 -17.881 31.767 -6.737 1.00 53.05 H new ATOM 0 HD2 PHE A 27 -16.206 35.283 -5.012 1.00 15.24 H new ATOM 0 HE1 PHE A 27 -18.704 31.072 -4.529 1.00 11.40 H new ATOM 0 HE2 PHE A 27 -17.026 34.590 -2.802 1.00 14.53 H new ATOM 0 HZ PHE A 27 -18.281 32.486 -2.557 1.00 12.41 H new ATOM 493 N LYS A 28 -18.982 35.943 -6.604 1.00 64.03 N ATOM 494 CA LYS A 28 -20.205 36.122 -5.832 1.00 31.55 C ATOM 495 C LYS A 28 -21.369 36.509 -6.738 1.00 34.52 C ATOM 496 O LYS A 28 -22.468 35.966 -6.620 1.00 54.01 O ATOM 497 CB LYS A 28 -20.003 37.193 -4.758 1.00 2.02 C ATOM 498 CG LYS A 28 -21.287 37.891 -4.345 1.00 51.15 C ATOM 499 CD LYS A 28 -21.522 39.153 -5.159 1.00 3.24 C ATOM 500 CE LYS A 28 -21.468 40.397 -4.285 1.00 12.10 C ATOM 501 NZ LYS A 28 -20.070 40.858 -4.062 1.00 0.51 N ATOM 0 H LYS A 28 -18.284 36.674 -6.463 1.00 64.03 H new ATOM 0 HA LYS A 28 -20.442 35.173 -5.350 1.00 31.55 H new ATOM 0 HB2 LYS A 28 -19.551 36.733 -3.879 1.00 2.02 H new ATOM 0 HB3 LYS A 28 -19.298 37.937 -5.127 1.00 2.02 H new ATOM 0 HG2 LYS A 28 -22.129 37.211 -4.474 1.00 51.15 H new ATOM 0 HG3 LYS A 28 -21.241 38.143 -3.286 1.00 51.15 H new ATOM 0 HD2 LYS A 28 -20.770 39.226 -5.945 1.00 3.24 H new ATOM 0 HD3 LYS A 28 -22.493 39.094 -5.651 1.00 3.24 H new ATOM 0 HE2 LYS A 28 -22.043 41.195 -4.754 1.00 12.10 H new ATOM 0 HE3 LYS A 28 -21.939 40.187 -3.325 1.00 12.10 H new ATOM 0 HZ1 LYS A 28 -20.076 41.707 -3.462 1.00 0.51 H new ATOM 0 HZ2 LYS A 28 -19.527 40.106 -3.592 1.00 0.51 H new ATOM 0 HZ3 LYS A 28 -19.629 41.083 -4.976 1.00 0.51 H new ATOM 515 N LYS A 29 -21.121 37.449 -7.643 1.00 73.22 N ATOM 516 CA LYS A 29 -22.148 37.907 -8.572 1.00 44.01 C ATOM 517 C LYS A 29 -22.499 36.814 -9.577 1.00 12.34 C ATOM 518 O LYS A 29 -23.673 36.564 -9.851 1.00 4.54 O ATOM 519 CB LYS A 29 -21.673 39.160 -9.311 1.00 41.30 C ATOM 520 CG LYS A 29 -22.801 39.956 -9.945 1.00 45.30 C ATOM 521 CD LYS A 29 -22.781 39.841 -11.460 1.00 33.10 C ATOM 522 CE LYS A 29 -23.836 40.730 -12.100 1.00 41.42 C ATOM 523 NZ LYS A 29 -23.273 42.043 -12.522 1.00 21.03 N ATOM 0 H LYS A 29 -20.217 37.909 -7.753 1.00 73.22 H new ATOM 0 HA LYS A 29 -23.042 38.148 -7.997 1.00 44.01 H new ATOM 0 HB2 LYS A 29 -21.135 39.801 -8.613 1.00 41.30 H new ATOM 0 HB3 LYS A 29 -20.965 38.868 -10.087 1.00 41.30 H new ATOM 0 HG2 LYS A 29 -23.758 39.599 -9.565 1.00 45.30 H new ATOM 0 HG3 LYS A 29 -22.715 41.004 -9.657 1.00 45.30 H new ATOM 0 HD2 LYS A 29 -21.795 40.117 -11.834 1.00 33.10 H new ATOM 0 HD3 LYS A 29 -22.953 38.804 -11.750 1.00 33.10 H new ATOM 0 HE2 LYS A 29 -24.262 40.223 -12.965 1.00 41.42 H new ATOM 0 HE3 LYS A 29 -24.650 40.894 -11.394 1.00 41.42 H new ATOM 0 HZ1 LYS A 29 -24.023 42.620 -12.953 1.00 21.03 H new ATOM 0 HZ2 LYS A 29 -22.889 42.539 -11.692 1.00 21.03 H new ATOM 0 HZ3 LYS A 29 -22.513 41.888 -13.215 1.00 21.03 H new ATOM 537 N ALA A 30 -21.475 36.166 -10.121 1.00 71.41 N ATOM 538 CA ALA A 30 -21.677 35.097 -11.092 1.00 43.52 C ATOM 539 C ALA A 30 -22.408 33.916 -10.465 1.00 33.13 C ATOM 540 O ALA A 30 -23.346 33.371 -11.049 1.00 41.53 O ATOM 541 CB ALA A 30 -20.342 34.649 -11.668 1.00 23.30 C ATOM 0 H ALA A 30 -20.497 36.362 -9.906 1.00 71.41 H new ATOM 0 HA ALA A 30 -22.297 35.486 -11.900 1.00 43.52 H new ATOM 0 HB1 ALA A 30 -20.507 33.851 -12.391 1.00 23.30 H new ATOM 0 HB2 ALA A 30 -19.858 35.491 -12.162 1.00 23.30 H new ATOM 0 HB3 ALA A 30 -19.703 34.283 -10.864 1.00 23.30 H new ATOM 547 N LEU A 31 -21.974 33.523 -9.272 1.00 52.12 N ATOM 548 CA LEU A 31 -22.588 32.404 -8.565 1.00 0.51 C ATOM 549 C LEU A 31 -24.037 32.716 -8.206 1.00 53.50 C ATOM 550 O LEU A 31 -24.958 32.023 -8.638 1.00 35.03 O ATOM 551 CB LEU A 31 -21.795 32.080 -7.298 1.00 12.24 C ATOM 552 CG LEU A 31 -22.317 30.912 -6.460 1.00 13.53 C ATOM 553 CD1 LEU A 31 -22.126 29.597 -7.199 1.00 54.43 C ATOM 554 CD2 LEU A 31 -21.620 30.872 -5.108 1.00 1.32 C ATOM 0 H LEU A 31 -21.200 33.962 -8.774 1.00 52.12 H new ATOM 0 HA LEU A 31 -22.576 31.537 -9.226 1.00 0.51 H new ATOM 0 HB2 LEU A 31 -20.765 31.865 -7.583 1.00 12.24 H new ATOM 0 HB3 LEU A 31 -21.773 32.970 -6.670 1.00 12.24 H new ATOM 0 HG LEU A 31 -23.384 31.059 -6.292 1.00 13.53 H new ATOM 0 HD11 LEU A 31 -22.503 28.778 -6.587 1.00 54.43 H new ATOM 0 HD12 LEU A 31 -22.672 29.627 -8.142 1.00 54.43 H new ATOM 0 HD13 LEU A 31 -21.066 29.442 -7.398 1.00 54.43 H new ATOM 0 HD21 LEU A 31 -22.004 30.035 -4.525 1.00 1.32 H new ATOM 0 HD22 LEU A 31 -20.547 30.750 -5.255 1.00 1.32 H new ATOM 0 HD23 LEU A 31 -21.809 31.803 -4.573 1.00 1.32 H new ATOM 566 N LYS A 32 -24.233 33.766 -7.415 1.00 23.11 N ATOM 567 CA LYS A 32 -25.570 34.173 -7.000 1.00 3.51 C ATOM 568 C LYS A 32 -26.496 34.308 -8.204 1.00 60.43 C ATOM 569 O LYS A 32 -27.552 33.677 -8.261 1.00 64.55 O ATOM 570 CB LYS A 32 -25.508 35.501 -6.240 1.00 61.44 C ATOM 571 CG LYS A 32 -25.146 35.346 -4.773 1.00 63.35 C ATOM 572 CD LYS A 32 -25.829 36.398 -3.916 1.00 72.32 C ATOM 573 CE LYS A 32 -25.806 36.018 -2.444 1.00 32.34 C ATOM 574 NZ LYS A 32 -24.739 36.742 -1.700 1.00 44.53 N ATOM 0 H LYS A 32 -23.482 34.351 -7.048 1.00 23.11 H new ATOM 0 HA LYS A 32 -25.969 33.402 -6.341 1.00 3.51 H new ATOM 0 HB2 LYS A 32 -24.776 36.151 -6.720 1.00 61.44 H new ATOM 0 HB3 LYS A 32 -26.474 35.999 -6.316 1.00 61.44 H new ATOM 0 HG2 LYS A 32 -25.434 34.352 -4.429 1.00 63.35 H new ATOM 0 HG3 LYS A 32 -24.065 35.424 -4.654 1.00 63.35 H new ATOM 0 HD2 LYS A 32 -25.332 37.359 -4.053 1.00 72.32 H new ATOM 0 HD3 LYS A 32 -26.861 36.523 -4.245 1.00 72.32 H new ATOM 0 HE2 LYS A 32 -26.775 36.240 -1.997 1.00 32.34 H new ATOM 0 HE3 LYS A 32 -25.650 34.943 -2.349 1.00 32.34 H new ATOM 0 HZ1 LYS A 32 -24.757 36.455 -0.701 1.00 44.53 H new ATOM 0 HZ2 LYS A 32 -23.812 36.511 -2.110 1.00 44.53 H new ATOM 0 HZ3 LYS A 32 -24.902 37.767 -1.769 1.00 44.53 H new ATOM 588 N PHE A 33 -26.094 35.132 -9.166 1.00 5.13 N ATOM 589 CA PHE A 33 -26.888 35.348 -10.370 1.00 4.24 C ATOM 590 C PHE A 33 -27.229 34.021 -11.042 1.00 3.45 C ATOM 591 O PHE A 33 -28.398 33.704 -11.256 1.00 2.02 O ATOM 592 CB PHE A 33 -26.133 36.250 -11.349 1.00 22.41 C ATOM 593 CG PHE A 33 -26.798 36.367 -12.690 1.00 74.13 C ATOM 594 CD1 PHE A 33 -28.156 36.626 -12.784 1.00 73.23 C ATOM 595 CD2 PHE A 33 -26.066 36.219 -13.857 1.00 70.11 C ATOM 596 CE1 PHE A 33 -28.771 36.733 -14.017 1.00 52.54 C ATOM 597 CE2 PHE A 33 -26.675 36.326 -15.093 1.00 74.01 C ATOM 598 CZ PHE A 33 -28.030 36.585 -15.173 1.00 64.42 C ATOM 0 H PHE A 33 -25.223 35.661 -9.135 1.00 5.13 H new ATOM 0 HA PHE A 33 -27.818 35.837 -10.079 1.00 4.24 H new ATOM 0 HB2 PHE A 33 -26.035 37.244 -10.913 1.00 22.41 H new ATOM 0 HB3 PHE A 33 -25.124 35.861 -11.485 1.00 22.41 H new ATOM 0 HD1 PHE A 33 -28.740 36.746 -11.884 1.00 73.23 H new ATOM 0 HD2 PHE A 33 -25.006 36.018 -13.800 1.00 70.11 H new ATOM 0 HE1 PHE A 33 -29.831 36.932 -14.077 1.00 52.54 H new ATOM 0 HE2 PHE A 33 -26.093 36.207 -15.995 1.00 74.01 H new ATOM 0 HZ PHE A 33 -28.508 36.671 -16.137 1.00 64.42 H new ATOM 608 N GLY A 34 -26.198 33.250 -11.372 1.00 65.24 N ATOM 609 CA GLY A 34 -26.408 31.967 -12.017 1.00 62.12 C ATOM 610 C GLY A 34 -27.376 31.086 -11.253 1.00 23.41 C ATOM 611 O GLY A 34 -28.303 30.521 -11.832 1.00 75.54 O ATOM 0 H GLY A 34 -25.221 33.491 -11.204 1.00 65.24 H new ATOM 0 HA2 GLY A 34 -26.787 32.129 -13.026 1.00 62.12 H new ATOM 0 HA3 GLY A 34 -25.452 31.452 -12.115 1.00 62.12 H new ATOM 615 N LYS A 35 -27.160 30.966 -9.947 1.00 65.54 N ATOM 616 CA LYS A 35 -28.019 30.146 -9.101 1.00 51.42 C ATOM 617 C LYS A 35 -29.479 30.568 -9.238 1.00 5.44 C ATOM 618 O LYS A 35 -30.326 29.778 -9.652 1.00 43.04 O ATOM 619 CB LYS A 35 -27.581 30.253 -7.639 1.00 22.02 C ATOM 620 CG LYS A 35 -27.854 28.997 -6.829 1.00 11.41 C ATOM 621 CD LYS A 35 -27.081 28.998 -5.521 1.00 0.43 C ATOM 622 CE LYS A 35 -27.833 28.254 -4.428 1.00 53.32 C ATOM 623 NZ LYS A 35 -27.431 28.710 -3.069 1.00 14.33 N ATOM 0 H LYS A 35 -26.397 31.427 -9.451 1.00 65.54 H new ATOM 0 HA LYS A 35 -27.926 29.110 -9.427 1.00 51.42 H new ATOM 0 HB2 LYS A 35 -26.514 30.474 -7.603 1.00 22.02 H new ATOM 0 HB3 LYS A 35 -28.096 31.094 -7.175 1.00 22.02 H new ATOM 0 HG2 LYS A 35 -28.921 28.922 -6.622 1.00 11.41 H new ATOM 0 HG3 LYS A 35 -27.580 28.119 -7.414 1.00 11.41 H new ATOM 0 HD2 LYS A 35 -26.106 28.535 -5.673 1.00 0.43 H new ATOM 0 HD3 LYS A 35 -26.900 30.025 -5.205 1.00 0.43 H new ATOM 0 HE2 LYS A 35 -28.905 28.403 -4.559 1.00 53.32 H new ATOM 0 HE3 LYS A 35 -27.646 27.184 -4.522 1.00 53.32 H new ATOM 0 HZ1 LYS A 35 -27.966 28.179 -2.352 1.00 14.33 H new ATOM 0 HZ2 LYS A 35 -26.413 28.545 -2.934 1.00 14.33 H new ATOM 0 HZ3 LYS A 35 -27.633 29.725 -2.970 1.00 14.33 H new ATOM 637 N GLN A 36 -29.764 31.818 -8.887 1.00 45.42 N ATOM 638 CA GLN A 36 -31.121 32.344 -8.972 1.00 1.31 C ATOM 639 C GLN A 36 -31.698 32.138 -10.368 1.00 54.43 C ATOM 640 O GLN A 36 -32.901 31.926 -10.529 1.00 50.43 O ATOM 641 CB GLN A 36 -31.137 33.832 -8.614 1.00 74.45 C ATOM 642 CG GLN A 36 -32.225 34.207 -7.621 1.00 72.51 C ATOM 643 CD GLN A 36 -33.512 34.634 -8.299 1.00 33.43 C ATOM 644 OE1 GLN A 36 -33.535 34.904 -9.500 1.00 31.31 O ATOM 645 NE2 GLN A 36 -34.593 34.697 -7.530 1.00 75.13 N ATOM 0 H GLN A 36 -29.074 32.485 -8.541 1.00 45.42 H new ATOM 0 HA GLN A 36 -31.740 31.800 -8.259 1.00 1.31 H new ATOM 0 HB2 GLN A 36 -30.167 34.108 -8.199 1.00 74.45 H new ATOM 0 HB3 GLN A 36 -31.272 34.415 -9.525 1.00 74.45 H new ATOM 0 HG2 GLN A 36 -32.427 33.356 -6.970 1.00 72.51 H new ATOM 0 HG3 GLN A 36 -31.868 35.017 -6.985 1.00 72.51 H new ATOM 0 HE21 GLN A 36 -34.528 34.464 -6.539 1.00 75.13 H new ATOM 0 HE22 GLN A 36 -35.488 34.978 -7.930 1.00 75.13 H new ATOM 654 N LEU A 37 -30.835 32.202 -11.376 1.00 4.44 N ATOM 655 CA LEU A 37 -31.259 32.023 -12.760 1.00 2.22 C ATOM 656 C LEU A 37 -31.773 30.606 -12.993 1.00 4.03 C ATOM 657 O LEU A 37 -32.854 30.411 -13.547 1.00 64.54 O ATOM 658 CB LEU A 37 -30.099 32.320 -13.712 1.00 1.22 C ATOM 659 CG LEU A 37 -30.484 32.671 -15.150 1.00 24.24 C ATOM 660 CD1 LEU A 37 -29.931 34.035 -15.533 1.00 31.14 C ATOM 661 CD2 LEU A 37 -29.984 31.602 -16.111 1.00 34.00 C ATOM 0 H LEU A 37 -29.837 32.377 -11.261 1.00 4.44 H new ATOM 0 HA LEU A 37 -32.072 32.722 -12.958 1.00 2.22 H new ATOM 0 HB2 LEU A 37 -29.520 33.146 -13.300 1.00 1.22 H new ATOM 0 HB3 LEU A 37 -29.442 31.450 -13.735 1.00 1.22 H new ATOM 0 HG LEU A 37 -31.571 32.711 -15.216 1.00 24.24 H new ATOM 0 HD11 LEU A 37 -30.215 34.268 -16.559 1.00 31.14 H new ATOM 0 HD12 LEU A 37 -30.337 34.793 -14.863 1.00 31.14 H new ATOM 0 HD13 LEU A 37 -28.844 34.023 -15.451 1.00 31.14 H new ATOM 0 HD21 LEU A 37 -30.267 31.868 -17.130 1.00 34.00 H new ATOM 0 HD22 LEU A 37 -28.899 31.530 -16.043 1.00 34.00 H new ATOM 0 HD23 LEU A 37 -30.428 30.642 -15.850 1.00 34.00 H new ATOM 673 N ALA A 38 -30.991 29.621 -12.563 1.00 71.31 N ATOM 674 CA ALA A 38 -31.369 28.222 -12.721 1.00 30.20 C ATOM 675 C ALA A 38 -32.572 27.877 -11.850 1.00 31.51 C ATOM 676 O ALA A 38 -33.387 27.026 -12.208 1.00 32.15 O ATOM 677 CB ALA A 38 -30.194 27.316 -12.384 1.00 3.31 C ATOM 0 H ALA A 38 -30.092 29.766 -12.103 1.00 71.31 H new ATOM 0 HA ALA A 38 -31.649 28.063 -13.762 1.00 30.20 H new ATOM 0 HB1 ALA A 38 -30.491 26.274 -12.506 1.00 3.31 H new ATOM 0 HB2 ALA A 38 -29.361 27.537 -13.052 1.00 3.31 H new ATOM 0 HB3 ALA A 38 -29.887 27.487 -11.352 1.00 3.31 H new ATOM 683 N LYS A 39 -32.677 28.541 -10.704 1.00 53.12 N ATOM 684 CA LYS A 39 -33.781 28.306 -9.781 1.00 72.31 C ATOM 685 C LYS A 39 -35.122 28.585 -10.453 1.00 44.22 C ATOM 686 O LYS A 39 -36.129 27.956 -10.134 1.00 74.14 O ATOM 687 CB LYS A 39 -33.629 29.184 -8.537 1.00 52.23 C ATOM 688 CG LYS A 39 -32.490 28.758 -7.627 1.00 51.43 C ATOM 689 CD LYS A 39 -32.997 27.970 -6.431 1.00 62.34 C ATOM 690 CE LYS A 39 -31.878 27.674 -5.444 1.00 51.12 C ATOM 691 NZ LYS A 39 -31.933 28.573 -4.258 1.00 50.02 N ATOM 0 H LYS A 39 -32.010 29.247 -10.392 1.00 53.12 H new ATOM 0 HA LYS A 39 -33.755 27.258 -9.483 1.00 72.31 H new ATOM 0 HB2 LYS A 39 -33.467 30.216 -8.849 1.00 52.23 H new ATOM 0 HB3 LYS A 39 -34.561 29.164 -7.972 1.00 52.23 H new ATOM 0 HG2 LYS A 39 -31.781 28.151 -8.190 1.00 51.43 H new ATOM 0 HG3 LYS A 39 -31.950 29.640 -7.281 1.00 51.43 H new ATOM 0 HD2 LYS A 39 -33.785 28.533 -5.931 1.00 62.34 H new ATOM 0 HD3 LYS A 39 -33.440 27.034 -6.772 1.00 62.34 H new ATOM 0 HE2 LYS A 39 -31.947 26.637 -5.117 1.00 51.12 H new ATOM 0 HE3 LYS A 39 -30.915 27.788 -5.942 1.00 51.12 H new ATOM 0 HZ1 LYS A 39 -31.154 28.340 -3.609 1.00 50.02 H new ATOM 0 HZ2 LYS A 39 -31.842 29.562 -4.567 1.00 50.02 H new ATOM 0 HZ3 LYS A 39 -32.842 28.446 -3.768 1.00 50.02 H new