USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 24 HIS : no HD1:sc= -1.47 X(o=-0.34,f=-0.29) USER MOD Set 1.2: A 25 THR OG1 : rot 53:sc= 1.13 USER MOD Single : A 1 LYS N :NH3+ -167:sc=-0.00148 (180deg=-0.221) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -48:sc= 0.892 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 109:sc= 0.855 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.454 6.428 -2.691 1.00 55.52 N ATOM 2 CA LYS A 1 -2.029 6.724 -2.769 1.00 2.11 C ATOM 3 C LYS A 1 -1.202 5.446 -2.666 1.00 41.45 C ATOM 4 O LYS A 1 -1.153 4.809 -1.615 1.00 32.55 O ATOM 5 CB LYS A 1 -1.627 7.695 -1.656 1.00 61.12 C ATOM 6 CG LYS A 1 -2.300 9.053 -1.761 1.00 63.43 C ATOM 7 CD LYS A 1 -1.866 9.978 -0.637 1.00 15.13 C ATOM 8 CE LYS A 1 -1.393 11.321 -1.171 1.00 63.13 C ATOM 9 NZ LYS A 1 -0.441 11.985 -0.238 1.00 71.10 N ATOM 0 H1 LYS A 1 -3.999 7.265 -2.980 1.00 55.52 H new ATOM 0 H2 LYS A 1 -3.679 5.633 -3.323 1.00 55.52 H new ATOM 0 H3 LYS A 1 -3.703 6.174 -1.714 1.00 55.52 H new ATOM 0 HA LYS A 1 -1.832 7.187 -3.736 1.00 2.11 H new ATOM 0 HB2 LYS A 1 -1.873 7.251 -0.691 1.00 61.12 H new ATOM 0 HB3 LYS A 1 -0.546 7.832 -1.678 1.00 61.12 H new ATOM 0 HG2 LYS A 1 -2.057 9.507 -2.722 1.00 63.43 H new ATOM 0 HG3 LYS A 1 -3.382 8.927 -1.732 1.00 63.43 H new ATOM 0 HD2 LYS A 1 -2.698 10.131 0.051 1.00 15.13 H new ATOM 0 HD3 LYS A 1 -1.064 9.509 -0.068 1.00 15.13 H new ATOM 0 HE2 LYS A 1 -0.913 11.178 -2.139 1.00 63.13 H new ATOM 0 HE3 LYS A 1 -2.253 11.970 -1.335 1.00 63.13 H new ATOM 0 HZ1 LYS A 1 -0.142 12.897 -0.638 1.00 71.10 H new ATOM 0 HZ2 LYS A 1 -0.907 12.145 0.678 1.00 71.10 H new ATOM 0 HZ3 LYS A 1 0.392 11.377 -0.101 1.00 71.10 H new ATOM 23 N LYS A 2 -0.551 5.078 -3.765 1.00 54.51 N ATOM 24 CA LYS A 2 0.276 3.879 -3.799 1.00 64.41 C ATOM 25 C LYS A 2 1.427 4.039 -4.787 1.00 44.50 C ATOM 26 O LYS A 2 1.496 5.027 -5.519 1.00 1.12 O ATOM 27 CB LYS A 2 -0.569 2.661 -4.179 1.00 15.20 C ATOM 28 CG LYS A 2 -0.421 1.494 -3.219 1.00 32.14 C ATOM 29 CD LYS A 2 -0.813 0.180 -3.873 1.00 65.24 C ATOM 30 CE LYS A 2 -1.934 -0.510 -3.112 1.00 54.24 C ATOM 31 NZ LYS A 2 -2.647 -1.507 -3.958 1.00 53.22 N ATOM 0 H LYS A 2 -0.581 5.594 -4.644 1.00 54.51 H new ATOM 0 HA LYS A 2 0.693 3.728 -2.803 1.00 64.41 H new ATOM 0 HB2 LYS A 2 -1.618 2.956 -4.220 1.00 15.20 H new ATOM 0 HB3 LYS A 2 -0.290 2.334 -5.181 1.00 15.20 H new ATOM 0 HG2 LYS A 2 0.611 1.435 -2.873 1.00 32.14 H new ATOM 0 HG3 LYS A 2 -1.043 1.664 -2.340 1.00 32.14 H new ATOM 0 HD2 LYS A 2 -1.129 0.364 -4.900 1.00 65.24 H new ATOM 0 HD3 LYS A 2 0.055 -0.478 -3.919 1.00 65.24 H new ATOM 0 HE2 LYS A 2 -1.524 -1.007 -2.233 1.00 54.24 H new ATOM 0 HE3 LYS A 2 -2.643 0.236 -2.754 1.00 54.24 H new ATOM 0 HZ1 LYS A 2 -3.404 -1.955 -3.403 1.00 53.22 H new ATOM 0 HZ2 LYS A 2 -3.060 -1.029 -4.784 1.00 53.22 H new ATOM 0 HZ3 LYS A 2 -1.976 -2.234 -4.279 1.00 53.22 H new ATOM 45 N ARG A 3 2.328 3.062 -4.803 1.00 41.44 N ATOM 46 CA ARG A 3 3.476 3.096 -5.702 1.00 14.10 C ATOM 47 C ARG A 3 3.030 2.992 -7.158 1.00 13.15 C ATOM 48 O ARG A 3 3.302 3.880 -7.966 1.00 12.22 O ATOM 49 CB ARG A 3 4.443 1.958 -5.371 1.00 50.12 C ATOM 50 CG ARG A 3 5.769 2.433 -4.801 1.00 24.32 C ATOM 51 CD ARG A 3 6.504 1.308 -4.089 1.00 63.41 C ATOM 52 NE ARG A 3 6.117 1.203 -2.685 1.00 4.33 N ATOM 53 CZ ARG A 3 6.488 0.204 -1.893 1.00 22.45 C ATOM 54 NH1 ARG A 3 7.252 -0.772 -2.364 1.00 74.33 N ATOM 55 NH2 ARG A 3 6.096 0.179 -0.625 1.00 54.13 N ATOM 0 H ARG A 3 2.285 2.237 -4.204 1.00 41.44 H new ATOM 0 HA ARG A 3 3.986 4.049 -5.564 1.00 14.10 H new ATOM 0 HB2 ARG A 3 3.969 1.286 -4.655 1.00 50.12 H new ATOM 0 HB3 ARG A 3 4.632 1.379 -6.275 1.00 50.12 H new ATOM 0 HG2 ARG A 3 6.392 2.825 -5.605 1.00 24.32 H new ATOM 0 HG3 ARG A 3 5.594 3.253 -4.104 1.00 24.32 H new ATOM 0 HD2 ARG A 3 6.297 0.364 -4.593 1.00 63.41 H new ATOM 0 HD3 ARG A 3 7.579 1.477 -4.157 1.00 63.41 H new ATOM 0 HE ARG A 3 5.529 1.938 -2.291 1.00 4.33 H new ATOM 0 HH11 ARG A 3 7.556 -0.757 -3.337 1.00 74.33 H new ATOM 0 HH12 ARG A 3 7.535 -1.538 -1.753 1.00 74.33 H new ATOM 0 HH21 ARG A 3 5.509 0.928 -0.258 1.00 54.13 H new ATOM 0 HH22 ARG A 3 6.382 -0.589 -0.018 1.00 54.13 H new ATOM 69 N TYR A 4 2.344 1.902 -7.484 1.00 42.22 N ATOM 70 CA TYR A 4 1.863 1.680 -8.843 1.00 1.54 C ATOM 71 C TYR A 4 0.439 2.203 -9.009 1.00 4.15 C ATOM 72 O TYR A 4 -0.410 1.545 -9.609 1.00 72.01 O ATOM 73 CB TYR A 4 1.915 0.191 -9.188 1.00 0.23 C ATOM 74 CG TYR A 4 2.348 -0.086 -10.609 1.00 64.25 C ATOM 75 CD1 TYR A 4 1.742 0.560 -11.680 1.00 64.50 C ATOM 76 CD2 TYR A 4 3.365 -0.994 -10.882 1.00 51.50 C ATOM 77 CE1 TYR A 4 2.135 0.308 -12.981 1.00 12.45 C ATOM 78 CE2 TYR A 4 3.765 -1.250 -12.179 1.00 52.33 C ATOM 79 CZ TYR A 4 3.146 -0.597 -13.225 1.00 44.31 C ATOM 80 OH TYR A 4 3.541 -0.848 -14.519 1.00 61.51 O ATOM 0 H TYR A 4 2.109 1.159 -6.826 1.00 42.22 H new ATOM 0 HA TYR A 4 2.514 2.227 -9.525 1.00 1.54 H new ATOM 0 HB2 TYR A 4 2.601 -0.308 -8.504 1.00 0.23 H new ATOM 0 HB3 TYR A 4 0.930 -0.246 -9.026 1.00 0.23 H new ATOM 0 HD1 TYR A 4 0.951 1.271 -11.493 1.00 64.50 H new ATOM 0 HD2 TYR A 4 3.851 -1.508 -10.066 1.00 51.50 H new ATOM 0 HE1 TYR A 4 1.653 0.817 -13.802 1.00 12.45 H new ATOM 0 HE2 TYR A 4 4.558 -1.957 -12.373 1.00 52.33 H new ATOM 0 HH TYR A 4 4.264 -1.509 -14.518 1.00 61.51 H new ATOM 90 N VAL A 5 0.186 3.393 -8.472 1.00 23.54 N ATOM 91 CA VAL A 5 -1.133 4.006 -8.561 1.00 12.44 C ATOM 92 C VAL A 5 -1.026 5.507 -8.810 1.00 23.44 C ATOM 93 O VAL A 5 -1.544 6.020 -9.800 1.00 53.43 O ATOM 94 CB VAL A 5 -1.951 3.767 -7.278 1.00 11.34 C ATOM 95 CG1 VAL A 5 -3.311 4.442 -7.378 1.00 21.54 C ATOM 96 CG2 VAL A 5 -2.104 2.277 -7.014 1.00 20.13 C ATOM 0 H VAL A 5 0.878 3.951 -7.971 1.00 23.54 H new ATOM 0 HA VAL A 5 -1.644 3.536 -9.402 1.00 12.44 H new ATOM 0 HB VAL A 5 -1.414 4.208 -6.438 1.00 11.34 H new ATOM 0 HG11 VAL A 5 -3.875 4.262 -6.463 1.00 21.54 H new ATOM 0 HG12 VAL A 5 -3.176 5.515 -7.516 1.00 21.54 H new ATOM 0 HG13 VAL A 5 -3.858 4.033 -8.227 1.00 21.54 H new ATOM 0 HG21 VAL A 5 -2.684 2.126 -6.104 1.00 20.13 H new ATOM 0 HG22 VAL A 5 -2.618 1.810 -7.854 1.00 20.13 H new ATOM 0 HG23 VAL A 5 -1.119 1.826 -6.895 1.00 20.13 H new ATOM 106 N ALA A 6 -0.348 6.204 -7.904 1.00 15.15 N ATOM 107 CA ALA A 6 -0.170 7.646 -8.026 1.00 34.41 C ATOM 108 C ALA A 6 1.095 7.978 -8.810 1.00 32.14 C ATOM 109 O ALA A 6 1.258 9.096 -9.298 1.00 21.33 O ATOM 110 CB ALA A 6 -0.125 8.291 -6.649 1.00 31.34 C ATOM 0 H ALA A 6 0.087 5.794 -7.078 1.00 15.15 H new ATOM 0 HA ALA A 6 -1.022 8.047 -8.575 1.00 34.41 H new ATOM 0 HB1 ALA A 6 0.008 9.368 -6.756 1.00 31.34 H new ATOM 0 HB2 ALA A 6 -1.059 8.091 -6.123 1.00 31.34 H new ATOM 0 HB3 ALA A 6 0.708 7.877 -6.080 1.00 31.34 H new ATOM 116 N MET A 7 1.987 7.000 -8.925 1.00 45.24 N ATOM 117 CA MET A 7 3.238 7.190 -9.651 1.00 23.13 C ATOM 118 C MET A 7 3.094 6.758 -11.106 1.00 75.15 C ATOM 119 O MET A 7 4.079 6.435 -11.770 1.00 2.14 O ATOM 120 CB MET A 7 4.365 6.400 -8.982 1.00 3.40 C ATOM 121 CG MET A 7 5.699 7.129 -8.980 1.00 24.10 C ATOM 122 SD MET A 7 7.092 6.028 -9.295 1.00 43.22 S ATOM 123 CE MET A 7 8.427 6.943 -8.528 1.00 3.20 C ATOM 0 H MET A 7 1.868 6.069 -8.526 1.00 45.24 H new ATOM 0 HA MET A 7 3.484 8.252 -9.629 1.00 23.13 H new ATOM 0 HB2 MET A 7 4.081 6.177 -7.954 1.00 3.40 H new ATOM 0 HB3 MET A 7 4.483 5.445 -9.495 1.00 3.40 H new ATOM 0 HG2 MET A 7 5.682 7.913 -9.737 1.00 24.10 H new ATOM 0 HG3 MET A 7 5.839 7.620 -8.017 1.00 24.10 H new ATOM 0 HE1 MET A 7 9.359 6.389 -8.640 1.00 3.20 H new ATOM 0 HE2 MET A 7 8.524 7.917 -9.008 1.00 3.20 H new ATOM 0 HE3 MET A 7 8.212 7.081 -7.468 1.00 3.20 H new ATOM 133 N VAL A 8 1.858 6.754 -11.598 1.00 24.21 N ATOM 134 CA VAL A 8 1.585 6.362 -12.975 1.00 41.15 C ATOM 135 C VAL A 8 0.593 7.316 -13.631 1.00 74.53 C ATOM 136 O VAL A 8 0.756 7.696 -14.791 1.00 74.00 O ATOM 137 CB VAL A 8 1.029 4.928 -13.051 1.00 61.34 C ATOM 138 CG1 VAL A 8 -0.165 4.768 -12.122 1.00 62.25 C ATOM 139 CG2 VAL A 8 0.652 4.578 -14.483 1.00 12.10 C ATOM 0 H VAL A 8 1.031 7.018 -11.063 1.00 24.21 H new ATOM 0 HA VAL A 8 2.534 6.404 -13.510 1.00 41.15 H new ATOM 0 HB VAL A 8 1.807 4.238 -12.725 1.00 61.34 H new ATOM 0 HG11 VAL A 8 -0.544 3.748 -12.189 1.00 62.25 H new ATOM 0 HG12 VAL A 8 0.142 4.974 -11.097 1.00 62.25 H new ATOM 0 HG13 VAL A 8 -0.949 5.467 -12.414 1.00 62.25 H new ATOM 0 HG21 VAL A 8 0.261 3.561 -14.518 1.00 12.10 H new ATOM 0 HG22 VAL A 8 -0.109 5.272 -14.839 1.00 12.10 H new ATOM 0 HG23 VAL A 8 1.534 4.650 -15.119 1.00 12.10 H new ATOM 149 N ILE A 9 -0.435 7.698 -12.882 1.00 15.25 N ATOM 150 CA ILE A 9 -1.454 8.609 -13.390 1.00 22.13 C ATOM 151 C ILE A 9 -1.169 10.045 -12.963 1.00 34.01 C ATOM 152 O ILE A 9 -2.061 10.894 -12.973 1.00 45.21 O ATOM 153 CB ILE A 9 -2.859 8.210 -12.903 1.00 75.44 C ATOM 154 CG1 ILE A 9 -3.930 8.971 -13.688 1.00 62.11 C ATOM 155 CG2 ILE A 9 -2.999 8.475 -11.412 1.00 12.01 C ATOM 156 CD1 ILE A 9 -4.805 8.078 -14.539 1.00 32.30 C ATOM 0 H ILE A 9 -0.585 7.391 -11.921 1.00 15.25 H new ATOM 0 HA ILE A 9 -1.423 8.543 -14.478 1.00 22.13 H new ATOM 0 HB ILE A 9 -2.997 7.143 -13.076 1.00 75.44 H new ATOM 0 HG12 ILE A 9 -4.559 9.522 -12.989 1.00 62.11 H new ATOM 0 HG13 ILE A 9 -3.445 9.707 -14.329 1.00 62.11 H new ATOM 0 HG21 ILE A 9 -3.998 8.188 -11.084 1.00 12.01 H new ATOM 0 HG22 ILE A 9 -2.256 7.892 -10.868 1.00 12.01 H new ATOM 0 HG23 ILE A 9 -2.843 9.536 -11.215 1.00 12.01 H new ATOM 0 HD11 ILE A 9 -5.541 8.685 -15.066 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -4.187 7.546 -15.263 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -5.319 7.358 -13.902 1.00 32.30 H new ATOM 168 N TRP A 10 0.078 10.309 -12.590 1.00 55.31 N ATOM 169 CA TRP A 10 0.480 11.644 -12.161 1.00 62.03 C ATOM 170 C TRP A 10 1.109 12.419 -13.314 1.00 10.43 C ATOM 171 O TRP A 10 0.916 13.629 -13.439 1.00 51.44 O ATOM 172 CB TRP A 10 1.465 11.552 -10.995 1.00 24.31 C ATOM 173 CG TRP A 10 0.861 11.928 -9.676 1.00 3.31 C ATOM 174 CD1 TRP A 10 1.356 12.827 -8.774 1.00 63.34 C ATOM 175 CD2 TRP A 10 -0.350 11.415 -9.110 1.00 43.03 C ATOM 176 NE1 TRP A 10 0.526 12.903 -7.682 1.00 60.12 N ATOM 177 CE2 TRP A 10 -0.528 12.047 -7.864 1.00 51.42 C ATOM 178 CE3 TRP A 10 -1.302 10.485 -9.536 1.00 24.33 C ATOM 179 CZ2 TRP A 10 -1.619 11.777 -7.042 1.00 24.21 C ATOM 180 CZ3 TRP A 10 -2.383 10.217 -8.718 1.00 71.13 C ATOM 181 CH2 TRP A 10 -2.535 10.861 -7.483 1.00 51.54 C ATOM 0 H TRP A 10 0.828 9.617 -12.576 1.00 55.31 H new ATOM 0 HA TRP A 10 -0.412 12.178 -11.833 1.00 62.03 H new ATOM 0 HB2 TRP A 10 1.850 10.534 -10.933 1.00 24.31 H new ATOM 0 HB3 TRP A 10 2.316 12.203 -11.195 1.00 24.31 H new ATOM 0 HD1 TRP A 10 2.266 13.394 -8.901 1.00 63.34 H new ATOM 0 HE1 TRP A 10 0.671 13.500 -6.868 1.00 60.12 H new ATOM 0 HE3 TRP A 10 -1.195 9.985 -10.487 1.00 24.33 H new ATOM 0 HZ2 TRP A 10 -1.738 12.273 -6.090 1.00 24.21 H new ATOM 0 HZ3 TRP A 10 -3.124 9.498 -9.036 1.00 71.13 H new ATOM 0 HH2 TRP A 10 -3.392 10.630 -6.867 1.00 51.54 H new ATOM 192 N LEU A 11 1.861 11.717 -14.153 1.00 63.51 N ATOM 193 CA LEU A 11 2.519 12.340 -15.297 1.00 34.23 C ATOM 194 C LEU A 11 1.826 11.954 -16.600 1.00 22.22 C ATOM 195 O LEU A 11 1.880 12.690 -17.585 1.00 44.01 O ATOM 196 CB LEU A 11 3.992 11.931 -15.348 1.00 52.22 C ATOM 197 CG LEU A 11 4.780 12.095 -14.048 1.00 33.00 C ATOM 198 CD1 LEU A 11 6.176 11.509 -14.192 1.00 52.44 C ATOM 199 CD2 LEU A 11 4.853 13.562 -13.650 1.00 61.11 C ATOM 0 H LEU A 11 2.031 10.715 -14.063 1.00 63.51 H new ATOM 0 HA LEU A 11 2.453 13.422 -15.179 1.00 34.23 H new ATOM 0 HB2 LEU A 11 4.048 10.886 -15.654 1.00 52.22 H new ATOM 0 HB3 LEU A 11 4.484 12.517 -16.124 1.00 52.22 H new ATOM 0 HG LEU A 11 4.260 11.551 -13.259 1.00 33.00 H new ATOM 0 HD11 LEU A 11 6.722 11.635 -13.257 1.00 52.44 H new ATOM 0 HD12 LEU A 11 6.102 10.448 -14.429 1.00 52.44 H new ATOM 0 HD13 LEU A 11 6.706 12.024 -14.994 1.00 52.44 H new ATOM 0 HD21 LEU A 11 5.417 13.660 -12.723 1.00 61.11 H new ATOM 0 HD22 LEU A 11 5.349 14.129 -14.438 1.00 61.11 H new ATOM 0 HD23 LEU A 11 3.845 13.950 -13.504 1.00 61.11 H new ATOM 211 N TYR A 12 1.174 10.796 -16.597 1.00 3.42 N ATOM 212 CA TYR A 12 0.471 10.312 -17.779 1.00 11.43 C ATOM 213 C TYR A 12 -0.560 11.331 -18.254 1.00 55.12 C ATOM 214 O TYR A 12 -0.906 11.376 -19.435 1.00 15.24 O ATOM 215 CB TYR A 12 -0.214 8.978 -17.479 1.00 73.03 C ATOM 216 CG TYR A 12 -0.967 8.406 -18.659 1.00 73.11 C ATOM 217 CD1 TYR A 12 -0.315 8.119 -19.852 1.00 4.51 C ATOM 218 CD2 TYR A 12 -2.331 8.153 -18.582 1.00 31.34 C ATOM 219 CE1 TYR A 12 -0.998 7.597 -20.933 1.00 15.32 C ATOM 220 CE2 TYR A 12 -3.023 7.629 -19.657 1.00 3.33 C ATOM 221 CZ TYR A 12 -2.352 7.354 -20.830 1.00 72.51 C ATOM 222 OH TYR A 12 -3.038 6.833 -21.904 1.00 2.51 O ATOM 0 H TYR A 12 1.118 10.176 -15.789 1.00 3.42 H new ATOM 0 HA TYR A 12 1.203 10.166 -18.573 1.00 11.43 H new ATOM 0 HB2 TYR A 12 0.537 8.258 -17.154 1.00 73.03 H new ATOM 0 HB3 TYR A 12 -0.906 9.113 -16.648 1.00 73.03 H new ATOM 0 HD1 TYR A 12 0.745 8.308 -19.935 1.00 4.51 H new ATOM 0 HD2 TYR A 12 -2.860 8.370 -17.666 1.00 31.34 H new ATOM 0 HE1 TYR A 12 -0.475 7.380 -21.853 1.00 15.32 H new ATOM 0 HE2 TYR A 12 -4.083 7.436 -19.579 1.00 3.33 H new ATOM 0 HH TYR A 12 -3.982 6.721 -21.666 1.00 2.51 H new ATOM 232 N SER A 13 -1.047 12.148 -17.326 1.00 34.04 N ATOM 233 CA SER A 13 -2.042 13.165 -17.647 1.00 64.04 C ATOM 234 C SER A 13 -1.604 14.534 -17.135 1.00 32.21 C ATOM 235 O SER A 13 -2.433 15.360 -16.755 1.00 1.23 O ATOM 236 CB SER A 13 -3.397 12.792 -17.045 1.00 34.41 C ATOM 237 OG SER A 13 -4.397 13.722 -17.424 1.00 33.34 O ATOM 0 H SER A 13 -0.769 12.126 -16.345 1.00 34.04 H new ATOM 0 HA SER A 13 -2.137 13.215 -18.732 1.00 64.04 H new ATOM 0 HB2 SER A 13 -3.682 11.793 -17.374 1.00 34.41 H new ATOM 0 HB3 SER A 13 -3.319 12.760 -15.958 1.00 34.41 H new ATOM 0 HG SER A 13 -4.070 14.633 -17.274 1.00 33.34 H new ATOM 243 N ALA A 14 -0.296 14.765 -17.128 1.00 4.41 N ATOM 244 CA ALA A 14 0.253 16.034 -16.664 1.00 63.35 C ATOM 245 C ALA A 14 1.387 16.505 -17.569 1.00 71.31 C ATOM 246 O ALA A 14 1.378 17.636 -18.055 1.00 32.01 O ATOM 247 CB ALA A 14 0.740 15.905 -15.229 1.00 11.04 C ATOM 0 H ALA A 14 0.404 14.091 -17.438 1.00 4.41 H new ATOM 0 HA ALA A 14 -0.541 16.780 -16.701 1.00 63.35 H new ATOM 0 HB1 ALA A 14 1.147 16.860 -14.896 1.00 11.04 H new ATOM 0 HB2 ALA A 14 -0.093 15.622 -14.586 1.00 11.04 H new ATOM 0 HB3 ALA A 14 1.516 15.141 -15.175 1.00 11.04 H new ATOM 253 N PHE A 15 2.363 15.630 -17.791 1.00 13.30 N ATOM 254 CA PHE A 15 3.505 15.958 -18.636 1.00 60.33 C ATOM 255 C PHE A 15 3.156 15.789 -20.112 1.00 72.50 C ATOM 256 O PHE A 15 3.641 16.532 -20.965 1.00 22.21 O ATOM 257 CB PHE A 15 4.701 15.073 -18.279 1.00 21.10 C ATOM 258 CG PHE A 15 5.900 15.847 -17.811 1.00 24.41 C ATOM 259 CD1 PHE A 15 5.828 16.645 -16.681 1.00 24.13 C ATOM 260 CD2 PHE A 15 7.100 15.775 -18.501 1.00 11.13 C ATOM 261 CE1 PHE A 15 6.930 17.358 -16.248 1.00 43.45 C ATOM 262 CE2 PHE A 15 8.205 16.486 -18.073 1.00 4.01 C ATOM 263 CZ PHE A 15 8.121 17.278 -16.945 1.00 34.14 C ATOM 0 H PHE A 15 2.386 14.689 -17.398 1.00 13.30 H new ATOM 0 HA PHE A 15 3.768 17.001 -18.460 1.00 60.33 H new ATOM 0 HB2 PHE A 15 4.404 14.372 -17.499 1.00 21.10 H new ATOM 0 HB3 PHE A 15 4.978 14.481 -19.151 1.00 21.10 H new ATOM 0 HD1 PHE A 15 4.900 16.711 -16.132 1.00 24.13 H new ATOM 0 HD2 PHE A 15 7.172 15.156 -19.383 1.00 11.13 H new ATOM 0 HE1 PHE A 15 6.861 17.977 -15.366 1.00 43.45 H new ATOM 0 HE2 PHE A 15 9.134 16.422 -18.620 1.00 4.01 H new ATOM 0 HZ PHE A 15 8.984 17.834 -16.608 1.00 34.14 H new ATOM 273 N ARG A 16 2.311 14.805 -20.405 1.00 41.20 N ATOM 274 CA ARG A 16 1.898 14.536 -21.777 1.00 52.50 C ATOM 275 C ARG A 16 1.088 15.701 -22.339 1.00 41.40 C ATOM 276 O ARG A 16 1.092 15.950 -23.544 1.00 24.40 O ATOM 277 CB ARG A 16 1.072 13.250 -21.841 1.00 4.01 C ATOM 278 CG ARG A 16 1.915 11.985 -21.830 1.00 33.12 C ATOM 279 CD ARG A 16 2.666 11.804 -23.140 1.00 14.03 C ATOM 280 NE ARG A 16 3.242 10.468 -23.260 1.00 70.52 N ATOM 281 CZ ARG A 16 3.671 9.953 -24.407 1.00 44.01 C ATOM 282 NH1 ARG A 16 3.590 10.660 -25.526 1.00 61.41 N ATOM 283 NH2 ARG A 16 4.184 8.729 -24.436 1.00 52.42 N ATOM 0 H ARG A 16 1.899 14.181 -19.711 1.00 41.20 H new ATOM 0 HA ARG A 16 2.796 14.414 -22.383 1.00 52.50 H new ATOM 0 HB2 ARG A 16 0.385 13.227 -20.995 1.00 4.01 H new ATOM 0 HB3 ARG A 16 0.463 13.263 -22.745 1.00 4.01 H new ATOM 0 HG2 ARG A 16 2.626 12.027 -21.005 1.00 33.12 H new ATOM 0 HG3 ARG A 16 1.274 11.121 -21.654 1.00 33.12 H new ATOM 0 HD2 ARG A 16 1.988 11.983 -23.974 1.00 14.03 H new ATOM 0 HD3 ARG A 16 3.459 12.548 -23.209 1.00 14.03 H new ATOM 0 HE ARG A 16 3.319 9.899 -22.417 1.00 70.52 H new ATOM 0 HH11 ARG A 16 3.198 11.601 -25.507 1.00 61.41 H new ATOM 0 HH12 ARG A 16 3.920 10.262 -26.405 1.00 61.41 H new ATOM 0 HH21 ARG A 16 4.249 8.183 -23.577 1.00 52.42 H new ATOM 0 HH22 ARG A 16 4.513 8.335 -25.317 1.00 52.42 H new ATOM 297 N GLY A 17 0.393 16.413 -21.456 1.00 62.15 N ATOM 298 CA GLY A 17 -0.412 17.542 -21.883 1.00 50.34 C ATOM 299 C GLY A 17 0.428 18.679 -22.432 1.00 31.24 C ATOM 300 O GLY A 17 -0.059 19.502 -23.207 1.00 4.00 O ATOM 0 H GLY A 17 0.374 16.228 -20.453 1.00 62.15 H new ATOM 0 HA2 GLY A 17 -1.117 17.213 -22.647 1.00 50.34 H new ATOM 0 HA3 GLY A 17 -1.001 17.904 -21.040 1.00 50.34 H new ATOM 304 N VAL A 18 1.693 18.726 -22.027 1.00 43.12 N ATOM 305 CA VAL A 18 2.603 19.771 -22.482 1.00 72.35 C ATOM 306 C VAL A 18 3.558 19.242 -23.547 1.00 12.21 C ATOM 307 O VAL A 18 3.725 19.853 -24.602 1.00 62.01 O ATOM 308 CB VAL A 18 3.423 20.349 -21.314 1.00 40.12 C ATOM 309 CG1 VAL A 18 4.222 21.560 -21.771 1.00 11.45 C ATOM 310 CG2 VAL A 18 2.512 20.709 -20.151 1.00 34.24 C ATOM 0 H VAL A 18 2.111 18.053 -21.385 1.00 43.12 H new ATOM 0 HA VAL A 18 1.988 20.562 -22.910 1.00 72.35 H new ATOM 0 HB VAL A 18 4.125 19.588 -20.973 1.00 40.12 H new ATOM 0 HG11 VAL A 18 4.795 21.955 -20.932 1.00 11.45 H new ATOM 0 HG12 VAL A 18 4.903 21.266 -22.570 1.00 11.45 H new ATOM 0 HG13 VAL A 18 3.541 22.328 -22.139 1.00 11.45 H new ATOM 0 HG21 VAL A 18 3.108 21.116 -19.334 1.00 34.24 H new ATOM 0 HG22 VAL A 18 1.785 21.453 -20.475 1.00 34.24 H new ATOM 0 HG23 VAL A 18 1.989 19.816 -19.809 1.00 34.24 H new ATOM 320 N GLN A 19 4.181 18.103 -23.262 1.00 50.40 N ATOM 321 CA GLN A 19 5.120 17.493 -24.196 1.00 31.33 C ATOM 322 C GLN A 19 4.380 16.780 -25.323 1.00 45.34 C ATOM 323 O GLN A 19 4.514 15.569 -25.500 1.00 23.54 O ATOM 324 CB GLN A 19 6.031 16.506 -23.464 1.00 34.45 C ATOM 325 CG GLN A 19 7.397 16.343 -24.111 1.00 14.15 C ATOM 326 CD GLN A 19 8.306 15.416 -23.329 1.00 21.03 C ATOM 327 OE1 GLN A 19 7.975 14.253 -23.097 1.00 31.14 O ATOM 328 NE2 GLN A 19 9.461 15.927 -22.918 1.00 32.13 N ATOM 0 H GLN A 19 4.053 17.585 -22.393 1.00 50.40 H new ATOM 0 HA GLN A 19 5.729 18.286 -24.630 1.00 31.33 H new ATOM 0 HB2 GLN A 19 6.163 16.841 -22.435 1.00 34.45 H new ATOM 0 HB3 GLN A 19 5.540 15.534 -23.422 1.00 34.45 H new ATOM 0 HG2 GLN A 19 7.272 15.955 -25.122 1.00 14.15 H new ATOM 0 HG3 GLN A 19 7.871 17.320 -24.201 1.00 14.15 H new ATOM 0 HE21 GLN A 19 9.695 16.896 -23.133 1.00 32.13 H new ATOM 0 HE22 GLN A 19 10.114 15.350 -22.388 1.00 32.13 H new ATOM 337 N LEU A 20 3.600 17.539 -26.085 1.00 0.45 N ATOM 338 CA LEU A 20 2.838 16.981 -27.196 1.00 63.31 C ATOM 339 C LEU A 20 2.043 18.068 -27.913 1.00 25.35 C ATOM 340 O LEU A 20 1.872 18.026 -29.131 1.00 41.34 O ATOM 341 CB LEU A 20 1.892 15.888 -26.694 1.00 4.40 C ATOM 342 CG LEU A 20 0.806 15.440 -27.672 1.00 21.50 C ATOM 343 CD1 LEU A 20 0.880 13.938 -27.900 1.00 23.33 C ATOM 344 CD2 LEU A 20 -0.571 15.836 -27.159 1.00 24.55 C ATOM 0 H LEU A 20 3.479 18.543 -25.953 1.00 0.45 H new ATOM 0 HA LEU A 20 3.543 16.546 -27.905 1.00 63.31 H new ATOM 0 HB2 LEU A 20 2.488 15.017 -26.420 1.00 4.40 H new ATOM 0 HB3 LEU A 20 1.409 16.243 -25.784 1.00 4.40 H new ATOM 0 HG LEU A 20 0.974 15.941 -28.626 1.00 21.50 H new ATOM 0 HD11 LEU A 20 0.099 13.637 -28.599 1.00 23.33 H new ATOM 0 HD12 LEU A 20 1.855 13.680 -28.313 1.00 23.33 H new ATOM 0 HD13 LEU A 20 0.738 13.419 -26.952 1.00 23.33 H new ATOM 0 HD21 LEU A 20 -1.331 15.509 -27.868 1.00 24.55 H new ATOM 0 HD22 LEU A 20 -0.749 15.364 -26.193 1.00 24.55 H new ATOM 0 HD23 LEU A 20 -0.620 16.919 -27.048 1.00 24.55 H new ATOM 356 N THR A 21 1.561 19.042 -27.148 1.00 10.33 N ATOM 357 CA THR A 21 0.785 20.141 -27.709 1.00 4.32 C ATOM 358 C THR A 21 1.684 21.316 -28.077 1.00 52.40 C ATOM 359 O THR A 21 1.327 22.144 -28.916 1.00 0.22 O ATOM 360 CB THR A 21 -0.296 20.625 -26.725 1.00 12.33 C ATOM 361 OG1 THR A 21 -0.803 19.519 -25.971 1.00 30.44 O ATOM 362 CG2 THR A 21 -1.437 21.305 -27.466 1.00 53.13 C ATOM 0 H THR A 21 1.694 19.092 -26.138 1.00 10.33 H new ATOM 0 HA THR A 21 0.302 19.760 -28.609 1.00 4.32 H new ATOM 0 HB THR A 21 0.159 21.348 -26.048 1.00 12.33 H new ATOM 0 HG1 THR A 21 -0.488 19.582 -25.045 1.00 30.44 H new ATOM 0 HG21 THR A 21 -2.188 21.638 -26.750 1.00 53.13 H new ATOM 0 HG22 THR A 21 -1.053 22.164 -28.016 1.00 53.13 H new ATOM 0 HG23 THR A 21 -1.889 20.600 -28.164 1.00 53.13 H new ATOM 370 N TYR A 22 2.851 21.383 -27.446 1.00 14.42 N ATOM 371 CA TYR A 22 3.800 22.459 -27.706 1.00 51.03 C ATOM 372 C TYR A 22 5.146 21.900 -28.159 1.00 14.45 C ATOM 373 O TYR A 22 6.143 22.619 -28.207 1.00 50.45 O ATOM 374 CB TYR A 22 3.986 23.317 -26.454 1.00 3.40 C ATOM 375 CG TYR A 22 3.973 24.804 -26.731 1.00 63.32 C ATOM 376 CD1 TYR A 22 2.920 25.393 -27.420 1.00 22.03 C ATOM 377 CD2 TYR A 22 5.014 25.619 -26.304 1.00 1.05 C ATOM 378 CE1 TYR A 22 2.905 26.750 -27.676 1.00 12.32 C ATOM 379 CE2 TYR A 22 5.006 26.978 -26.554 1.00 23.32 C ATOM 380 CZ TYR A 22 3.950 27.538 -27.241 1.00 12.43 C ATOM 381 OH TYR A 22 3.937 28.891 -27.493 1.00 4.24 O ATOM 0 H TYR A 22 3.163 20.705 -26.751 1.00 14.42 H new ATOM 0 HA TYR A 22 3.397 23.080 -28.506 1.00 51.03 H new ATOM 0 HB2 TYR A 22 3.195 23.082 -25.742 1.00 3.40 H new ATOM 0 HB3 TYR A 22 4.931 23.053 -25.980 1.00 3.40 H new ATOM 0 HD1 TYR A 22 2.099 24.779 -27.761 1.00 22.03 H new ATOM 0 HD2 TYR A 22 5.844 25.183 -25.767 1.00 1.05 H new ATOM 0 HE1 TYR A 22 2.079 27.192 -28.214 1.00 12.32 H new ATOM 0 HE2 TYR A 22 5.822 27.598 -26.213 1.00 23.32 H new ATOM 0 HH TYR A 22 4.745 29.301 -27.119 1.00 4.24 H new ATOM 391 N GLU A 23 5.164 20.613 -28.489 1.00 33.24 N ATOM 392 CA GLU A 23 6.386 19.957 -28.937 1.00 25.11 C ATOM 393 C GLU A 23 6.247 19.470 -30.376 1.00 55.34 C ATOM 394 O GLU A 23 7.237 19.327 -31.094 1.00 52.54 O ATOM 395 CB GLU A 23 6.726 18.780 -28.020 1.00 0.01 C ATOM 396 CG GLU A 23 7.445 19.189 -26.745 1.00 42.25 C ATOM 397 CD GLU A 23 8.953 19.210 -26.907 1.00 72.52 C ATOM 398 OE1 GLU A 23 9.527 18.153 -27.246 1.00 53.33 O ATOM 399 OE2 GLU A 23 9.559 20.281 -26.695 1.00 35.52 O ATOM 0 H GLU A 23 4.346 20.004 -28.455 1.00 33.24 H new ATOM 0 HA GLU A 23 7.195 20.687 -28.895 1.00 25.11 H new ATOM 0 HB2 GLU A 23 5.806 18.258 -27.757 1.00 0.01 H new ATOM 0 HB3 GLU A 23 7.349 18.072 -28.567 1.00 0.01 H new ATOM 0 HG2 GLU A 23 7.102 20.178 -26.440 1.00 42.25 H new ATOM 0 HG3 GLU A 23 7.179 18.499 -25.945 1.00 42.25 H new ATOM 406 N HIS A 24 5.009 19.217 -30.792 1.00 25.55 N ATOM 407 CA HIS A 24 4.739 18.746 -32.145 1.00 72.33 C ATOM 408 C HIS A 24 5.402 19.652 -33.178 1.00 71.33 C ATOM 409 O HIS A 24 5.908 19.183 -34.199 1.00 35.54 O ATOM 410 CB HIS A 24 3.232 18.686 -32.395 1.00 74.41 C ATOM 411 CG HIS A 24 2.553 20.016 -32.287 1.00 11.42 C ATOM 412 ND1 HIS A 24 1.829 20.578 -33.317 1.00 43.34 N ATOM 413 CD2 HIS A 24 2.489 20.897 -31.261 1.00 24.12 C ATOM 414 CE1 HIS A 24 1.352 21.748 -32.931 1.00 35.45 C ATOM 415 NE2 HIS A 24 1.737 21.964 -31.686 1.00 44.31 N ATOM 0 H HIS A 24 4.178 19.331 -30.211 1.00 25.55 H new ATOM 0 HA HIS A 24 5.157 17.744 -32.245 1.00 72.33 H new ATOM 0 HB2 HIS A 24 3.053 18.276 -33.389 1.00 74.41 H new ATOM 0 HB3 HIS A 24 2.781 17.998 -31.680 1.00 74.41 H new ATOM 0 HD2 HIS A 24 2.945 20.782 -30.289 1.00 24.12 H new ATOM 0 HE1 HIS A 24 0.750 22.414 -33.531 1.00 35.45 H new ATOM 0 HE2 HIS A 24 1.512 22.789 -31.131 1.00 44.31 H new ATOM 423 N THR A 25 5.396 20.953 -32.908 1.00 12.42 N ATOM 424 CA THR A 25 5.995 21.925 -33.814 1.00 15.20 C ATOM 425 C THR A 25 6.511 23.141 -33.053 1.00 53.23 C ATOM 426 O THR A 25 5.789 24.121 -32.868 1.00 25.11 O ATOM 427 CB THR A 25 4.988 22.392 -34.882 1.00 72.45 C ATOM 428 OG1 THR A 25 3.887 23.062 -34.259 1.00 31.02 O ATOM 429 CG2 THR A 25 4.475 21.212 -35.695 1.00 24.13 C ATOM 0 H THR A 25 4.983 21.358 -32.068 1.00 12.42 H new ATOM 0 HA THR A 25 6.830 21.426 -34.306 1.00 15.20 H new ATOM 0 HB THR A 25 5.499 23.082 -35.554 1.00 72.45 H new ATOM 0 HG1 THR A 25 4.225 23.770 -33.672 1.00 31.02 H new ATOM 0 HG21 THR A 25 3.765 21.566 -36.443 1.00 24.13 H new ATOM 0 HG22 THR A 25 5.312 20.722 -36.192 1.00 24.13 H new ATOM 0 HG23 THR A 25 3.980 20.502 -35.033 1.00 24.13 H new ATOM 437 N MET A 26 7.764 23.071 -32.615 1.00 55.54 N ATOM 438 CA MET A 26 8.376 24.169 -31.876 1.00 24.10 C ATOM 439 C MET A 26 9.866 24.269 -32.187 1.00 43.14 C ATOM 440 O MET A 26 10.301 25.170 -32.906 1.00 64.12 O ATOM 441 CB MET A 26 8.170 23.977 -30.372 1.00 55.33 C ATOM 442 CG MET A 26 7.202 24.977 -29.760 1.00 4.24 C ATOM 443 SD MET A 26 7.820 25.688 -28.222 1.00 11.11 S ATOM 444 CE MET A 26 8.859 27.005 -28.851 1.00 33.32 C ATOM 0 H MET A 26 8.374 22.267 -32.759 1.00 55.54 H new ATOM 0 HA MET A 26 7.894 25.096 -32.186 1.00 24.10 H new ATOM 0 HB2 MET A 26 7.801 22.968 -30.190 1.00 55.33 H new ATOM 0 HB3 MET A 26 9.133 24.060 -29.868 1.00 55.33 H new ATOM 0 HG2 MET A 26 7.012 25.777 -30.475 1.00 4.24 H new ATOM 0 HG3 MET A 26 6.248 24.485 -29.571 1.00 4.24 H new ATOM 0 HE1 MET A 26 9.314 27.539 -28.017 1.00 33.32 H new ATOM 0 HE2 MET A 26 9.642 26.582 -29.481 1.00 33.32 H new ATOM 0 HE3 MET A 26 8.255 27.696 -29.439 1.00 33.32 H new ATOM 454 N LEU A 27 10.644 23.340 -31.642 1.00 73.05 N ATOM 455 CA LEU A 27 12.086 23.324 -31.862 1.00 72.02 C ATOM 456 C LEU A 27 12.480 22.192 -32.806 1.00 4.33 C ATOM 457 O LEU A 27 13.614 21.714 -32.776 1.00 11.20 O ATOM 458 CB LEU A 27 12.823 23.173 -30.530 1.00 52.12 C ATOM 459 CG LEU A 27 13.938 24.184 -30.262 1.00 63.01 C ATOM 460 CD1 LEU A 27 14.529 23.972 -28.877 1.00 64.31 C ATOM 461 CD2 LEU A 27 15.020 24.080 -31.327 1.00 60.43 C ATOM 0 H LEU A 27 10.300 22.588 -31.045 1.00 73.05 H new ATOM 0 HA LEU A 27 12.370 24.271 -32.322 1.00 72.02 H new ATOM 0 HB2 LEU A 27 12.093 23.245 -29.724 1.00 52.12 H new ATOM 0 HB3 LEU A 27 13.250 22.171 -30.485 1.00 52.12 H new ATOM 0 HG LEU A 27 13.511 25.186 -30.303 1.00 63.01 H new ATOM 0 HD11 LEU A 27 15.321 24.701 -28.704 1.00 64.31 H new ATOM 0 HD12 LEU A 27 13.750 24.098 -28.126 1.00 64.31 H new ATOM 0 HD13 LEU A 27 14.941 22.965 -28.807 1.00 64.31 H new ATOM 0 HD21 LEU A 27 15.805 24.807 -31.120 1.00 60.43 H new ATOM 0 HD22 LEU A 27 15.444 23.076 -31.318 1.00 60.43 H new ATOM 0 HD23 LEU A 27 14.587 24.283 -32.307 1.00 60.43 H new ATOM 473 N GLN A 28 11.538 21.771 -33.643 1.00 31.02 N ATOM 474 CA GLN A 28 11.788 20.697 -34.596 1.00 64.52 C ATOM 475 C GLN A 28 11.731 21.216 -36.029 1.00 60.10 C ATOM 476 O GLN A 28 11.565 20.445 -36.974 1.00 71.43 O ATOM 477 CB GLN A 28 10.770 19.571 -34.408 1.00 14.22 C ATOM 478 CG GLN A 28 11.316 18.378 -33.641 1.00 62.33 C ATOM 479 CD GLN A 28 12.271 17.540 -34.469 1.00 72.10 C ATOM 480 OE1 GLN A 28 12.803 18.001 -35.479 1.00 61.54 O ATOM 481 NE2 GLN A 28 12.493 16.302 -34.044 1.00 71.42 N ATOM 0 H GLN A 28 10.595 22.157 -33.680 1.00 31.02 H new ATOM 0 HA GLN A 28 12.789 20.307 -34.410 1.00 64.52 H new ATOM 0 HB2 GLN A 28 9.900 19.963 -33.881 1.00 14.22 H new ATOM 0 HB3 GLN A 28 10.426 19.236 -35.387 1.00 14.22 H new ATOM 0 HG2 GLN A 28 11.830 18.730 -32.746 1.00 62.33 H new ATOM 0 HG3 GLN A 28 10.486 17.754 -33.308 1.00 62.33 H new ATOM 0 HE21 GLN A 28 12.030 15.961 -33.201 1.00 71.42 H new ATOM 0 HE22 GLN A 28 13.126 15.691 -34.560 1.00 71.42 H new ATOM 490 N LYS A 29 11.869 22.528 -36.183 1.00 42.33 N ATOM 491 CA LYS A 29 11.834 23.152 -37.501 1.00 2.23 C ATOM 492 C LYS A 29 10.535 22.819 -38.226 1.00 75.23 C ATOM 493 O LYS A 29 10.470 22.856 -39.455 1.00 62.42 O ATOM 494 CB LYS A 29 13.030 22.692 -38.337 1.00 42.44 C ATOM 495 CG LYS A 29 14.352 22.750 -37.592 1.00 2.02 C ATOM 496 CD LYS A 29 15.531 22.793 -38.549 1.00 41.54 C ATOM 497 CE LYS A 29 16.091 24.202 -38.681 1.00 21.54 C ATOM 498 NZ LYS A 29 16.719 24.427 -40.012 1.00 11.00 N ATOM 0 H LYS A 29 12.006 23.181 -35.411 1.00 42.33 H new ATOM 0 HA LYS A 29 11.887 24.232 -37.366 1.00 2.23 H new ATOM 0 HB2 LYS A 29 12.856 21.670 -38.672 1.00 42.44 H new ATOM 0 HB3 LYS A 29 13.098 23.313 -39.230 1.00 42.44 H new ATOM 0 HG2 LYS A 29 14.371 23.631 -36.951 1.00 2.02 H new ATOM 0 HG3 LYS A 29 14.442 21.880 -36.941 1.00 2.02 H new ATOM 0 HD2 LYS A 29 16.313 22.121 -38.195 1.00 41.54 H new ATOM 0 HD3 LYS A 29 15.219 22.431 -39.529 1.00 41.54 H new ATOM 0 HE2 LYS A 29 15.291 24.926 -38.530 1.00 21.54 H new ATOM 0 HE3 LYS A 29 16.829 24.374 -37.898 1.00 21.54 H new ATOM 0 HZ1 LYS A 29 17.088 25.398 -40.062 1.00 11.00 H new ATOM 0 HZ2 LYS A 29 17.499 23.753 -40.146 1.00 11.00 H new ATOM 0 HZ3 LYS A 29 16.009 24.288 -40.759 1.00 11.00 H new ATOM 512 N LYS A 30 9.500 22.495 -37.458 1.00 71.42 N ATOM 513 CA LYS A 30 8.200 22.157 -38.027 1.00 3.42 C ATOM 514 C LYS A 30 8.338 21.081 -39.099 1.00 43.42 C ATOM 515 O LYS A 30 7.445 20.897 -39.926 1.00 51.53 O ATOM 516 CB LYS A 30 7.542 23.404 -38.622 1.00 11.11 C ATOM 517 CG LYS A 30 6.129 23.645 -38.118 1.00 43.13 C ATOM 518 CD LYS A 30 6.040 24.921 -37.298 1.00 52.22 C ATOM 519 CE LYS A 30 4.603 25.235 -36.911 1.00 51.31 C ATOM 520 NZ LYS A 30 4.232 26.638 -37.246 1.00 3.34 N ATOM 0 H LYS A 30 9.536 22.459 -36.439 1.00 71.42 H new ATOM 0 HA LYS A 30 7.571 21.768 -37.227 1.00 3.42 H new ATOM 0 HB2 LYS A 30 8.155 24.274 -38.389 1.00 11.11 H new ATOM 0 HB3 LYS A 30 7.521 23.310 -39.708 1.00 11.11 H new ATOM 0 HG2 LYS A 30 5.445 23.707 -38.965 1.00 43.13 H new ATOM 0 HG3 LYS A 30 5.809 22.798 -37.511 1.00 43.13 H new ATOM 0 HD2 LYS A 30 6.647 24.820 -36.398 1.00 52.22 H new ATOM 0 HD3 LYS A 30 6.454 25.752 -37.869 1.00 52.22 H new ATOM 0 HE2 LYS A 30 3.930 24.549 -37.425 1.00 51.31 H new ATOM 0 HE3 LYS A 30 4.470 25.070 -35.842 1.00 51.31 H new ATOM 0 HZ1 LYS A 30 3.245 26.812 -36.967 1.00 3.34 H new ATOM 0 HZ2 LYS A 30 4.857 27.294 -36.736 1.00 3.34 H new ATOM 0 HZ3 LYS A 30 4.334 26.789 -38.270 1.00 3.34 H new TER 534 LYS A 30