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= -1.54 X(o=-0.39,f=-0.4) USER MOD Set 1.2: A 25 THR OG1 : rot 54:sc= 1.14 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -116:sc= 1.27 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 152:sc= -0.193 (180deg=-0.631) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) 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 1.944 2.885 1.142 1.00 53.20 N ATOM 2 CA LYS A 1 2.322 3.884 0.149 1.00 23.31 C ATOM 3 C LYS A 1 1.454 3.766 -1.099 1.00 51.04 C ATOM 4 O LYS A 1 1.005 2.676 -1.456 1.00 2.31 O ATOM 5 CB LYS A 1 3.798 3.726 -0.226 1.00 75.11 C ATOM 6 CG LYS A 1 4.583 5.024 -0.165 1.00 0.43 C ATOM 7 CD LYS A 1 5.447 5.095 1.083 1.00 22.11 C ATOM 8 CE LYS A 1 5.509 6.509 1.639 1.00 15.24 C ATOM 9 NZ LYS A 1 6.912 6.963 1.848 1.00 35.21 N ATOM 0 H1 LYS A 1 2.548 2.985 1.982 1.00 53.20 H new ATOM 0 H2 LYS A 1 0.949 3.023 1.412 1.00 53.20 H new ATOM 0 H3 LYS A 1 2.064 1.933 0.740 1.00 53.20 H new ATOM 0 HA LYS A 1 2.167 4.871 0.585 1.00 23.31 H new ATOM 0 HB2 LYS A 1 4.259 3.001 0.444 1.00 75.11 H new ATOM 0 HB3 LYS A 1 3.866 3.317 -1.234 1.00 75.11 H new ATOM 0 HG2 LYS A 1 5.213 5.111 -1.050 1.00 0.43 H new ATOM 0 HG3 LYS A 1 3.894 5.868 -0.180 1.00 0.43 H new ATOM 0 HD2 LYS A 1 5.048 4.422 1.842 1.00 22.11 H new ATOM 0 HD3 LYS A 1 6.454 4.750 0.849 1.00 22.11 H new ATOM 0 HE2 LYS A 1 5.005 7.191 0.954 1.00 15.24 H new ATOM 0 HE3 LYS A 1 4.969 6.551 2.585 1.00 15.24 H new ATOM 0 HZ1 LYS A 1 6.911 7.931 2.228 1.00 35.21 H new ATOM 0 HZ2 LYS A 1 7.386 6.328 2.521 1.00 35.21 H new ATOM 0 HZ3 LYS A 1 7.421 6.948 0.941 1.00 35.21 H new ATOM 23 N LYS A 2 1.222 4.894 -1.761 1.00 55.44 N ATOM 24 CA LYS A 2 0.409 4.918 -2.972 1.00 43.41 C ATOM 25 C LYS A 2 1.256 4.607 -4.202 1.00 24.23 C ATOM 26 O LYS A 2 1.662 5.511 -4.932 1.00 64.45 O ATOM 27 CB LYS A 2 -0.261 6.285 -3.134 1.00 60.52 C ATOM 28 CG LYS A 2 -1.572 6.412 -2.378 1.00 52.23 C ATOM 29 CD LYS A 2 -2.763 6.115 -3.274 1.00 13.22 C ATOM 30 CE LYS A 2 -4.013 5.817 -2.459 1.00 64.10 C ATOM 31 NZ LYS A 2 -4.452 4.403 -2.615 1.00 72.33 N ATOM 0 H LYS A 2 1.586 5.804 -1.479 1.00 55.44 H new ATOM 0 HA LYS A 2 -0.360 4.151 -2.879 1.00 43.41 H new ATOM 0 HB2 LYS A 2 0.424 7.059 -2.789 1.00 60.52 H new ATOM 0 HB3 LYS A 2 -0.442 6.468 -4.193 1.00 60.52 H new ATOM 0 HG2 LYS A 2 -1.573 5.726 -1.531 1.00 52.23 H new ATOM 0 HG3 LYS A 2 -1.663 7.420 -1.972 1.00 52.23 H new ATOM 0 HD2 LYS A 2 -2.949 6.967 -3.929 1.00 13.22 H new ATOM 0 HD3 LYS A 2 -2.534 5.264 -3.915 1.00 13.22 H new ATOM 0 HE2 LYS A 2 -3.818 6.023 -1.407 1.00 64.10 H new ATOM 0 HE3 LYS A 2 -4.817 6.484 -2.770 1.00 64.10 H new ATOM 0 HZ1 LYS A 2 -5.306 4.240 -2.045 1.00 72.33 H new ATOM 0 HZ2 LYS A 2 -4.662 4.213 -3.616 1.00 72.33 H new ATOM 0 HZ3 LYS A 2 -3.694 3.767 -2.294 1.00 72.33 H new ATOM 45 N ARG A 3 1.518 3.323 -4.425 1.00 0.04 N ATOM 46 CA ARG A 3 2.316 2.893 -5.566 1.00 45.12 C ATOM 47 C ARG A 3 1.422 2.398 -6.699 1.00 65.52 C ATOM 48 O ARG A 3 0.329 1.885 -6.461 1.00 75.15 O ATOM 49 CB ARG A 3 3.288 1.788 -5.149 1.00 4.04 C ATOM 50 CG ARG A 3 2.600 0.513 -4.690 1.00 21.13 C ATOM 51 CD ARG A 3 3.335 -0.128 -3.523 1.00 2.12 C ATOM 52 NE ARG A 3 2.418 -0.765 -2.582 1.00 21.13 N ATOM 53 CZ ARG A 3 2.810 -1.346 -1.453 1.00 74.43 C ATOM 54 NH1 ARG A 3 4.095 -1.370 -1.127 1.00 75.32 N ATOM 55 NH2 ARG A 3 1.915 -1.905 -0.648 1.00 71.02 N ATOM 0 H ARG A 3 1.189 2.563 -3.830 1.00 0.04 H new ATOM 0 HA ARG A 3 2.885 3.751 -5.923 1.00 45.12 H new ATOM 0 HB2 ARG A 3 3.942 1.555 -5.989 1.00 4.04 H new ATOM 0 HB3 ARG A 3 3.922 2.159 -4.344 1.00 4.04 H new ATOM 0 HG2 ARG A 3 1.574 0.737 -4.396 1.00 21.13 H new ATOM 0 HG3 ARG A 3 2.547 -0.192 -5.520 1.00 21.13 H new ATOM 0 HD2 ARG A 3 4.039 -0.869 -3.901 1.00 2.12 H new ATOM 0 HD3 ARG A 3 3.920 0.630 -3.002 1.00 2.12 H new ATOM 0 HE ARG A 3 1.422 -0.764 -2.803 1.00 21.13 H new ATOM 0 HH11 ARG A 3 4.786 -0.942 -1.743 1.00 75.32 H new ATOM 0 HH12 ARG A 3 4.393 -1.817 -0.260 1.00 75.32 H new ATOM 0 HH21 ARG A 3 0.926 -1.889 -0.896 1.00 71.02 H new ATOM 0 HH22 ARG A 3 2.216 -2.351 0.218 1.00 71.02 H new ATOM 69 N TYR A 4 1.895 2.555 -7.931 1.00 22.45 N ATOM 70 CA TYR A 4 1.138 2.126 -9.100 1.00 52.14 C ATOM 71 C TYR A 4 -0.185 2.880 -9.199 1.00 31.41 C ATOM 72 O TYR A 4 -1.154 2.384 -9.775 1.00 0.23 O ATOM 73 CB TYR A 4 0.877 0.620 -9.041 1.00 54.14 C ATOM 74 CG TYR A 4 2.120 -0.200 -8.780 1.00 34.20 C ATOM 75 CD1 TYR A 4 3.307 0.068 -9.449 1.00 51.45 C ATOM 76 CD2 TYR A 4 2.107 -1.244 -7.862 1.00 54.43 C ATOM 77 CE1 TYR A 4 4.444 -0.679 -9.214 1.00 65.12 C ATOM 78 CE2 TYR A 4 3.240 -1.996 -7.620 1.00 12.54 C ATOM 79 CZ TYR A 4 4.406 -1.710 -8.298 1.00 41.33 C ATOM 80 OH TYR A 4 5.538 -2.456 -8.060 1.00 54.20 O ATOM 0 H TYR A 4 2.799 2.976 -8.145 1.00 22.45 H new ATOM 0 HA TYR A 4 1.730 2.350 -9.987 1.00 52.14 H new ATOM 0 HB2 TYR A 4 0.147 0.417 -8.258 1.00 54.14 H new ATOM 0 HB3 TYR A 4 0.432 0.300 -9.983 1.00 54.14 H new ATOM 0 HD1 TYR A 4 3.341 0.875 -10.166 1.00 51.45 H new ATOM 0 HD2 TYR A 4 1.195 -1.471 -7.329 1.00 54.43 H new ATOM 0 HE1 TYR A 4 5.358 -0.457 -9.744 1.00 65.12 H new ATOM 0 HE2 TYR A 4 3.213 -2.804 -6.904 1.00 12.54 H new ATOM 0 HH TYR A 4 5.343 -3.141 -7.387 1.00 54.20 H new ATOM 90 N VAL A 5 -0.217 4.082 -8.633 1.00 35.24 N ATOM 91 CA VAL A 5 -1.420 4.906 -8.657 1.00 43.31 C ATOM 92 C VAL A 5 -1.069 6.388 -8.734 1.00 64.25 C ATOM 93 O VAL A 5 -1.582 7.114 -9.585 1.00 2.20 O ATOM 94 CB VAL A 5 -2.294 4.661 -7.413 1.00 3.43 C ATOM 95 CG1 VAL A 5 -3.527 5.551 -7.443 1.00 32.21 C ATOM 96 CG2 VAL A 5 -2.686 3.195 -7.318 1.00 70.30 C ATOM 0 H VAL A 5 0.576 4.507 -8.152 1.00 35.24 H new ATOM 0 HA VAL A 5 -1.981 4.621 -9.547 1.00 43.31 H new ATOM 0 HB VAL A 5 -1.713 4.916 -6.526 1.00 3.43 H new ATOM 0 HG11 VAL A 5 -4.132 5.364 -6.556 1.00 32.21 H new ATOM 0 HG12 VAL A 5 -3.220 6.597 -7.459 1.00 32.21 H new ATOM 0 HG13 VAL A 5 -4.113 5.331 -8.335 1.00 32.21 H new ATOM 0 HG21 VAL A 5 -3.303 3.040 -6.433 1.00 70.30 H new ATOM 0 HG22 VAL A 5 -3.248 2.910 -8.207 1.00 70.30 H new ATOM 0 HG23 VAL A 5 -1.788 2.582 -7.245 1.00 70.30 H new ATOM 106 N ALA A 6 -0.190 6.829 -7.841 1.00 2.44 N ATOM 107 CA ALA A 6 0.232 8.224 -7.809 1.00 44.21 C ATOM 108 C ALA A 6 1.525 8.424 -8.593 1.00 53.44 C ATOM 109 O ALA A 6 2.269 9.374 -8.350 1.00 33.13 O ATOM 110 CB ALA A 6 0.408 8.690 -6.371 1.00 52.13 C ATOM 0 H ALA A 6 0.244 6.241 -7.130 1.00 2.44 H new ATOM 0 HA ALA A 6 -0.546 8.824 -8.281 1.00 44.21 H new ATOM 0 HB1 ALA A 6 0.723 9.733 -6.363 1.00 52.13 H new ATOM 0 HB2 ALA A 6 -0.538 8.593 -5.839 1.00 52.13 H new ATOM 0 HB3 ALA A 6 1.165 8.078 -5.880 1.00 52.13 H new ATOM 116 N MET A 7 1.786 7.524 -9.535 1.00 74.40 N ATOM 117 CA MET A 7 2.989 7.603 -10.355 1.00 73.43 C ATOM 118 C MET A 7 2.747 6.997 -11.734 1.00 41.35 C ATOM 119 O MET A 7 3.689 6.614 -12.429 1.00 32.34 O ATOM 120 CB MET A 7 4.150 6.883 -9.666 1.00 51.51 C ATOM 121 CG MET A 7 5.500 7.539 -9.907 1.00 51.23 C ATOM 122 SD MET A 7 6.632 7.330 -8.519 1.00 72.55 S ATOM 123 CE MET A 7 8.173 7.034 -9.382 1.00 25.42 C ATOM 0 H MET A 7 1.181 6.732 -9.749 1.00 74.40 H new ATOM 0 HA MET A 7 3.246 8.655 -10.479 1.00 73.43 H new ATOM 0 HB2 MET A 7 3.959 6.847 -8.593 1.00 51.51 H new ATOM 0 HB3 MET A 7 4.188 5.852 -10.018 1.00 51.51 H new ATOM 0 HG2 MET A 7 5.950 7.115 -10.805 1.00 51.23 H new ATOM 0 HG3 MET A 7 5.354 8.603 -10.095 1.00 51.23 H new ATOM 0 HE1 MET A 7 8.973 6.885 -8.657 1.00 25.42 H new ATOM 0 HE2 MET A 7 8.077 6.144 -10.004 1.00 25.42 H new ATOM 0 HE3 MET A 7 8.408 7.892 -10.011 1.00 25.42 H new ATOM 133 N VAL A 8 1.479 6.914 -12.126 1.00 4.04 N ATOM 134 CA VAL A 8 1.115 6.356 -13.422 1.00 75.12 C ATOM 135 C VAL A 8 0.278 7.342 -14.229 1.00 52.33 C ATOM 136 O VAL A 8 0.400 7.420 -15.452 1.00 40.11 O ATOM 137 CB VAL A 8 0.329 5.041 -13.266 1.00 34.41 C ATOM 138 CG1 VAL A 8 -0.941 5.269 -12.459 1.00 43.35 C ATOM 139 CG2 VAL A 8 0.004 4.449 -14.629 1.00 64.14 C ATOM 0 H VAL A 8 0.687 7.226 -11.564 1.00 4.04 H new ATOM 0 HA VAL A 8 2.046 6.154 -13.952 1.00 75.12 H new ATOM 0 HB VAL A 8 0.952 4.329 -12.725 1.00 34.41 H new ATOM 0 HG11 VAL A 8 -1.483 4.328 -12.360 1.00 43.35 H new ATOM 0 HG12 VAL A 8 -0.681 5.644 -11.469 1.00 43.35 H new ATOM 0 HG13 VAL A 8 -1.570 5.998 -12.969 1.00 43.35 H new ATOM 0 HG21 VAL A 8 -0.552 3.520 -14.499 1.00 64.14 H new ATOM 0 HG22 VAL A 8 -0.599 5.156 -15.198 1.00 64.14 H new ATOM 0 HG23 VAL A 8 0.930 4.246 -15.168 1.00 64.14 H new ATOM 149 N ILE A 9 -0.571 8.094 -13.537 1.00 54.12 N ATOM 150 CA ILE A 9 -1.427 9.077 -14.190 1.00 14.04 C ATOM 151 C ILE A 9 -0.786 10.460 -14.176 1.00 3.22 C ATOM 152 O ILE A 9 -1.076 11.299 -15.029 1.00 62.42 O ATOM 153 CB ILE A 9 -2.809 9.158 -13.514 1.00 21.44 C ATOM 154 CG1 ILE A 9 -3.401 7.757 -13.346 1.00 31.24 C ATOM 155 CG2 ILE A 9 -3.745 10.041 -14.325 1.00 60.52 C ATOM 156 CD1 ILE A 9 -4.744 7.748 -12.649 1.00 41.12 C ATOM 0 H ILE A 9 -0.685 8.042 -12.525 1.00 54.12 H new ATOM 0 HA ILE A 9 -1.554 8.748 -15.221 1.00 14.04 H new ATOM 0 HB ILE A 9 -2.688 9.602 -12.526 1.00 21.44 H new ATOM 0 HG12 ILE A 9 -3.507 7.296 -14.328 1.00 31.24 H new ATOM 0 HG13 ILE A 9 -2.702 7.142 -12.779 1.00 31.24 H new ATOM 0 HG21 ILE A 9 -4.717 10.088 -13.834 1.00 60.52 H new ATOM 0 HG22 ILE A 9 -3.326 11.045 -14.398 1.00 60.52 H new ATOM 0 HG23 ILE A 9 -3.863 9.624 -15.325 1.00 60.52 H new ATOM 0 HD11 ILE A 9 -5.103 6.722 -12.565 1.00 41.12 H new ATOM 0 HD12 ILE A 9 -4.640 8.179 -11.653 1.00 41.12 H new ATOM 0 HD13 ILE A 9 -5.458 8.336 -13.226 1.00 41.12 H new ATOM 168 N TRP A 10 0.088 10.691 -13.203 1.00 24.21 N ATOM 169 CA TRP A 10 0.773 11.973 -13.079 1.00 64.50 C ATOM 170 C TRP A 10 1.586 12.279 -14.332 1.00 25.40 C ATOM 171 O TRP A 10 1.825 13.441 -14.661 1.00 10.53 O ATOM 172 CB TRP A 10 1.686 11.970 -11.852 1.00 22.33 C ATOM 173 CG TRP A 10 1.046 12.564 -10.634 1.00 31.22 C ATOM 174 CD1 TRP A 10 1.447 13.682 -9.959 1.00 63.55 C ATOM 175 CD2 TRP A 10 -0.108 12.070 -9.945 1.00 51.01 C ATOM 176 NE1 TRP A 10 0.612 13.912 -8.893 1.00 2.31 N ATOM 177 CE2 TRP A 10 -0.351 12.938 -8.863 1.00 5.43 C ATOM 178 CE3 TRP A 10 -0.961 10.980 -10.138 1.00 53.44 C ATOM 179 CZ2 TRP A 10 -1.409 12.748 -7.979 1.00 32.03 C ATOM 180 CZ3 TRP A 10 -2.011 10.793 -9.260 1.00 34.40 C ATOM 181 CH2 TRP A 10 -2.229 11.673 -8.192 1.00 23.13 C ATOM 0 H TRP A 10 0.339 10.008 -12.489 1.00 24.21 H new ATOM 0 HA TRP A 10 0.018 12.750 -12.960 1.00 64.50 H new ATOM 0 HB2 TRP A 10 1.985 10.945 -11.633 1.00 22.33 H new ATOM 0 HB3 TRP A 10 2.595 12.525 -12.083 1.00 22.33 H new ATOM 0 HD1 TRP A 10 2.296 14.295 -10.225 1.00 63.55 H new ATOM 0 HE1 TRP A 10 0.695 14.683 -8.231 1.00 2.31 H new ATOM 0 HE3 TRP A 10 -0.802 10.296 -10.959 1.00 53.44 H new ATOM 0 HZ2 TRP A 10 -1.577 13.425 -7.154 1.00 32.03 H new ATOM 0 HZ3 TRP A 10 -2.676 9.953 -9.399 1.00 34.40 H new ATOM 0 HH2 TRP A 10 -3.060 11.500 -7.524 1.00 23.13 H new ATOM 192 N LEU A 11 2.010 11.229 -15.028 1.00 53.42 N ATOM 193 CA LEU A 11 2.797 11.387 -16.247 1.00 35.44 C ATOM 194 C LEU A 11 1.948 11.106 -17.483 1.00 1.03 C ATOM 195 O LEU A 11 2.193 11.660 -18.555 1.00 20.51 O ATOM 196 CB LEU A 11 4.006 10.450 -16.221 1.00 13.04 C ATOM 197 CG LEU A 11 4.872 10.508 -14.962 1.00 65.32 C ATOM 198 CD1 LEU A 11 5.100 9.111 -14.406 1.00 72.42 C ATOM 199 CD2 LEU A 11 6.201 11.188 -15.260 1.00 73.22 C ATOM 0 H LEU A 11 1.822 10.260 -14.770 1.00 53.42 H new ATOM 0 HA LEU A 11 3.145 12.419 -16.295 1.00 35.44 H new ATOM 0 HB2 LEU A 11 3.651 9.427 -16.347 1.00 13.04 H new ATOM 0 HB3 LEU A 11 4.635 10.677 -17.082 1.00 13.04 H new ATOM 0 HG LEU A 11 4.346 11.095 -14.209 1.00 65.32 H new ATOM 0 HD11 LEU A 11 5.718 9.172 -13.510 1.00 72.42 H new ATOM 0 HD12 LEU A 11 4.141 8.658 -14.155 1.00 72.42 H new ATOM 0 HD13 LEU A 11 5.605 8.500 -15.154 1.00 72.42 H new ATOM 0 HD21 LEU A 11 6.804 11.221 -14.353 1.00 73.22 H new ATOM 0 HD22 LEU A 11 6.732 10.627 -16.029 1.00 73.22 H new ATOM 0 HD23 LEU A 11 6.019 12.204 -15.612 1.00 73.22 H new ATOM 211 N TYR A 12 0.949 10.245 -17.325 1.00 61.10 N ATOM 212 CA TYR A 12 0.064 9.891 -18.428 1.00 60.33 C ATOM 213 C TYR A 12 -1.223 10.708 -18.378 1.00 34.32 C ATOM 214 O TYR A 12 -2.273 10.262 -18.841 1.00 13.11 O ATOM 215 CB TYR A 12 -0.264 8.397 -18.387 1.00 14.40 C ATOM 216 CG TYR A 12 -0.138 7.712 -19.729 1.00 3.12 C ATOM 217 CD1 TYR A 12 -0.959 8.067 -20.792 1.00 43.02 C ATOM 218 CD2 TYR A 12 0.802 6.709 -19.933 1.00 40.52 C ATOM 219 CE1 TYR A 12 -0.847 7.443 -22.020 1.00 12.31 C ATOM 220 CE2 TYR A 12 0.922 6.081 -21.158 1.00 13.43 C ATOM 221 CZ TYR A 12 0.095 6.452 -22.198 1.00 32.42 C ATOM 222 OH TYR A 12 0.210 5.827 -23.419 1.00 11.43 O ATOM 0 H TYR A 12 0.732 9.779 -16.444 1.00 61.10 H new ATOM 0 HA TYR A 12 0.580 10.117 -19.361 1.00 60.33 H new ATOM 0 HB2 TYR A 12 0.400 7.907 -17.675 1.00 14.40 H new ATOM 0 HB3 TYR A 12 -1.281 8.267 -18.016 1.00 14.40 H new ATOM 0 HD1 TYR A 12 -1.697 8.844 -20.656 1.00 43.02 H new ATOM 0 HD2 TYR A 12 1.450 6.415 -19.120 1.00 40.52 H new ATOM 0 HE1 TYR A 12 -1.494 7.730 -22.836 1.00 12.31 H new ATOM 0 HE2 TYR A 12 1.659 5.304 -21.300 1.00 13.43 H new ATOM 0 HH TYR A 12 0.922 5.154 -23.376 1.00 11.43 H new ATOM 232 N SER A 13 -1.134 11.907 -17.812 1.00 44.10 N ATOM 233 CA SER A 13 -2.291 12.787 -17.697 1.00 61.32 C ATOM 234 C SER A 13 -1.886 14.146 -17.135 1.00 54.23 C ATOM 235 O SER A 13 -2.630 14.761 -16.372 1.00 35.23 O ATOM 236 CB SER A 13 -3.356 12.149 -16.803 1.00 50.11 C ATOM 237 OG SER A 13 -4.659 12.513 -17.223 1.00 54.33 O ATOM 0 H SER A 13 -0.272 12.292 -17.426 1.00 44.10 H new ATOM 0 HA SER A 13 -2.705 12.935 -18.694 1.00 61.32 H new ATOM 0 HB2 SER A 13 -3.253 11.064 -16.827 1.00 50.11 H new ATOM 0 HB3 SER A 13 -3.203 12.461 -15.770 1.00 50.11 H new ATOM 0 HG SER A 13 -5.321 12.091 -16.637 1.00 54.33 H new ATOM 243 N ALA A 14 -0.701 14.609 -17.519 1.00 54.33 N ATOM 244 CA ALA A 14 -0.198 15.896 -17.056 1.00 45.33 C ATOM 245 C ALA A 14 0.913 16.410 -17.966 1.00 3.42 C ATOM 246 O ALA A 14 0.936 17.586 -18.331 1.00 63.10 O ATOM 247 CB ALA A 14 0.301 15.783 -15.623 1.00 51.32 C ATOM 0 H ALA A 14 -0.072 14.112 -18.149 1.00 54.33 H new ATOM 0 HA ALA A 14 -1.019 16.612 -17.088 1.00 45.33 H new ATOM 0 HB1 ALA A 14 0.674 16.752 -15.290 1.00 51.32 H new ATOM 0 HB2 ALA A 14 -0.518 15.468 -14.976 1.00 51.32 H new ATOM 0 HB3 ALA A 14 1.105 15.049 -15.575 1.00 51.32 H new ATOM 253 N PHE A 15 1.834 15.523 -18.328 1.00 33.33 N ATOM 254 CA PHE A 15 2.949 15.887 -19.194 1.00 11.55 C ATOM 255 C PHE A 15 2.579 15.707 -20.663 1.00 34.23 C ATOM 256 O PHE A 15 3.083 16.417 -21.533 1.00 20.31 O ATOM 257 CB PHE A 15 4.180 15.043 -18.859 1.00 31.45 C ATOM 258 CG PHE A 15 5.004 15.603 -17.735 1.00 41.41 C ATOM 259 CD1 PHE A 15 5.892 16.642 -17.962 1.00 4.43 C ATOM 260 CD2 PHE A 15 4.890 15.092 -16.452 1.00 64.05 C ATOM 261 CE1 PHE A 15 6.653 17.160 -16.930 1.00 34.41 C ATOM 262 CE2 PHE A 15 5.648 15.605 -15.416 1.00 53.54 C ATOM 263 CZ PHE A 15 6.529 16.641 -15.655 1.00 42.45 C ATOM 0 H PHE A 15 1.830 14.546 -18.035 1.00 33.33 H new ATOM 0 HA PHE A 15 3.181 16.938 -19.023 1.00 11.55 H new ATOM 0 HB2 PHE A 15 3.859 14.035 -18.596 1.00 31.45 H new ATOM 0 HB3 PHE A 15 4.804 14.957 -19.748 1.00 31.45 H new ATOM 0 HD1 PHE A 15 5.991 17.052 -18.956 1.00 4.43 H new ATOM 0 HD2 PHE A 15 4.201 14.283 -16.259 1.00 64.05 H new ATOM 0 HE1 PHE A 15 7.343 17.969 -17.120 1.00 34.41 H new ATOM 0 HE2 PHE A 15 5.551 15.196 -14.421 1.00 53.54 H new ATOM 0 HZ PHE A 15 7.120 17.045 -14.847 1.00 42.45 H new ATOM 273 N ARG A 16 1.695 14.751 -20.931 1.00 13.23 N ATOM 274 CA ARG A 16 1.258 14.475 -22.294 1.00 13.21 C ATOM 275 C ARG A 16 0.569 15.694 -22.901 1.00 72.23 C ATOM 276 O ARG A 16 0.690 15.956 -24.097 1.00 40.31 O ATOM 277 CB ARG A 16 0.308 13.276 -22.315 1.00 0.02 C ATOM 278 CG ARG A 16 0.998 11.948 -22.050 1.00 21.13 C ATOM 279 CD ARG A 16 1.541 11.337 -23.332 1.00 22.31 C ATOM 280 NE ARG A 16 0.575 10.442 -23.964 1.00 22.14 N ATOM 281 CZ ARG A 16 0.891 9.578 -24.922 1.00 40.33 C ATOM 282 NH1 ARG A 16 2.141 9.493 -25.357 1.00 13.01 N ATOM 283 NH2 ARG A 16 -0.044 8.797 -25.448 1.00 12.32 N ATOM 0 H ARG A 16 1.268 14.155 -20.222 1.00 13.23 H new ATOM 0 HA ARG A 16 2.139 14.242 -22.891 1.00 13.21 H new ATOM 0 HB2 ARG A 16 -0.471 13.427 -21.567 1.00 0.02 H new ATOM 0 HB3 ARG A 16 -0.186 13.232 -23.285 1.00 0.02 H new ATOM 0 HG2 ARG A 16 1.814 12.095 -21.342 1.00 21.13 H new ATOM 0 HG3 ARG A 16 0.294 11.257 -21.586 1.00 21.13 H new ATOM 0 HD2 ARG A 16 1.808 12.132 -24.028 1.00 22.31 H new ATOM 0 HD3 ARG A 16 2.456 10.786 -23.112 1.00 22.31 H new ATOM 0 HE ARG A 16 -0.395 10.483 -23.653 1.00 22.14 H new ATOM 0 HH11 ARG A 16 2.862 10.092 -24.956 1.00 13.01 H new ATOM 0 HH12 ARG A 16 2.381 8.829 -26.093 1.00 13.01 H new ATOM 0 HH21 ARG A 16 -1.007 8.860 -25.117 1.00 12.32 H new ATOM 0 HH22 ARG A 16 0.200 8.134 -26.184 1.00 12.32 H new ATOM 297 N GLY A 17 -0.155 16.435 -22.068 1.00 33.32 N ATOM 298 CA GLY A 17 -0.853 17.616 -22.541 1.00 33.12 C ATOM 299 C GLY A 17 0.096 18.705 -23.000 1.00 53.02 C ATOM 300 O GLY A 17 -0.292 19.600 -23.751 1.00 0.52 O ATOM 0 H GLY A 17 -0.271 16.238 -21.074 1.00 33.32 H new ATOM 0 HA2 GLY A 17 -1.510 17.340 -23.365 1.00 33.12 H new ATOM 0 HA3 GLY A 17 -1.487 18.003 -21.744 1.00 33.12 H new ATOM 304 N VAL A 18 1.343 18.631 -22.547 1.00 63.54 N ATOM 305 CA VAL A 18 2.351 19.618 -22.916 1.00 14.10 C ATOM 306 C VAL A 18 3.265 19.087 -24.014 1.00 71.12 C ATOM 307 O VAL A 18 3.554 19.785 -24.986 1.00 33.13 O ATOM 308 CB VAL A 18 3.207 20.026 -21.703 1.00 21.14 C ATOM 309 CG1 VAL A 18 4.120 21.189 -22.060 1.00 12.12 C ATOM 310 CG2 VAL A 18 2.319 20.378 -20.519 1.00 4.15 C ATOM 0 H VAL A 18 1.680 17.897 -21.923 1.00 63.54 H new ATOM 0 HA VAL A 18 1.816 20.493 -23.285 1.00 14.10 H new ATOM 0 HB VAL A 18 3.832 19.179 -21.420 1.00 21.14 H new ATOM 0 HG11 VAL A 18 4.717 21.463 -21.190 1.00 12.12 H new ATOM 0 HG12 VAL A 18 4.781 20.896 -22.876 1.00 12.12 H new ATOM 0 HG13 VAL A 18 3.517 22.043 -22.370 1.00 12.12 H new ATOM 0 HG21 VAL A 18 2.940 20.664 -19.670 1.00 4.15 H new ATOM 0 HG22 VAL A 18 1.667 21.209 -20.788 1.00 4.15 H new ATOM 0 HG23 VAL A 18 1.712 19.513 -20.249 1.00 4.15 H new ATOM 320 N GLN A 19 3.717 17.847 -23.853 1.00 15.45 N ATOM 321 CA GLN A 19 4.599 17.223 -24.831 1.00 32.30 C ATOM 322 C GLN A 19 3.810 16.735 -26.042 1.00 22.54 C ATOM 323 O GLN A 19 3.810 15.544 -26.357 1.00 31.33 O ATOM 324 CB GLN A 19 5.355 16.055 -24.195 1.00 73.30 C ATOM 325 CG GLN A 19 6.537 15.574 -25.020 1.00 62.24 C ATOM 326 CD GLN A 19 6.880 14.121 -24.758 1.00 33.42 C ATOM 327 OE1 GLN A 19 7.241 13.748 -23.641 1.00 71.11 O ATOM 328 NE2 GLN A 19 6.768 13.290 -25.788 1.00 11.20 N ATOM 0 H GLN A 19 3.487 17.255 -23.055 1.00 15.45 H new ATOM 0 HA GLN A 19 5.317 17.972 -25.166 1.00 32.30 H new ATOM 0 HB2 GLN A 19 5.709 16.356 -23.209 1.00 73.30 H new ATOM 0 HB3 GLN A 19 4.665 15.225 -24.046 1.00 73.30 H new ATOM 0 HG2 GLN A 19 6.313 15.705 -26.079 1.00 62.24 H new ATOM 0 HG3 GLN A 19 7.406 16.194 -24.799 1.00 62.24 H new ATOM 0 HE21 GLN A 19 6.465 13.642 -26.696 1.00 11.20 H new ATOM 0 HE22 GLN A 19 6.985 12.300 -25.671 1.00 11.20 H new ATOM 337 N LEU A 20 3.139 17.661 -26.717 1.00 31.12 N ATOM 338 CA LEU A 20 2.345 17.325 -27.894 1.00 1.03 C ATOM 339 C LEU A 20 1.696 18.572 -28.487 1.00 31.45 C ATOM 340 O LEU A 20 1.550 18.690 -29.704 1.00 14.24 O ATOM 341 CB LEU A 20 1.270 16.299 -27.532 1.00 53.01 C ATOM 342 CG LEU A 20 0.150 16.111 -28.556 1.00 60.13 C ATOM 343 CD1 LEU A 20 0.020 14.645 -28.941 1.00 54.44 C ATOM 344 CD2 LEU A 20 -1.168 16.640 -28.009 1.00 62.31 C ATOM 0 H LEU A 20 3.129 18.651 -26.470 1.00 31.12 H new ATOM 0 HA LEU A 20 3.012 16.895 -28.641 1.00 1.03 H new ATOM 0 HB2 LEU A 20 1.755 15.336 -27.372 1.00 53.01 H new ATOM 0 HB3 LEU A 20 0.822 16.592 -26.583 1.00 53.01 H new ATOM 0 HG LEU A 20 0.403 16.680 -29.451 1.00 60.13 H new ATOM 0 HD11 LEU A 20 -0.782 14.530 -29.670 1.00 54.44 H new ATOM 0 HD12 LEU A 20 0.958 14.298 -29.375 1.00 54.44 H new ATOM 0 HD13 LEU A 20 -0.209 14.055 -28.054 1.00 54.44 H new ATOM 0 HD21 LEU A 20 -1.953 16.498 -28.751 1.00 62.31 H new ATOM 0 HD22 LEU A 20 -1.427 16.100 -27.099 1.00 62.31 H new ATOM 0 HD23 LEU A 20 -1.069 17.702 -27.785 1.00 62.31 H new ATOM 356 N THR A 21 1.309 19.501 -27.618 1.00 45.33 N ATOM 357 CA THR A 21 0.677 20.739 -28.055 1.00 41.53 C ATOM 358 C THR A 21 1.711 21.840 -28.266 1.00 73.15 C ATOM 359 O THR A 21 1.470 22.798 -29.001 1.00 42.13 O ATOM 360 CB THR A 21 -0.372 21.225 -27.037 1.00 24.43 C ATOM 361 OG1 THR A 21 0.197 21.251 -25.723 1.00 30.22 O ATOM 362 CG2 THR A 21 -1.595 20.320 -27.047 1.00 50.55 C ATOM 0 H THR A 21 1.422 19.419 -26.608 1.00 45.33 H new ATOM 0 HA THR A 21 0.181 20.523 -29.001 1.00 41.53 H new ATOM 0 HB THR A 21 -0.682 22.231 -27.319 1.00 24.43 H new ATOM 0 HG1 THR A 21 -0.271 20.608 -25.151 1.00 30.22 H new ATOM 0 HG21 THR A 21 -2.322 20.683 -26.320 1.00 50.55 H new ATOM 0 HG22 THR A 21 -2.042 20.324 -28.041 1.00 50.55 H new ATOM 0 HG23 THR A 21 -1.298 19.304 -26.787 1.00 50.55 H new ATOM 370 N TYR A 22 2.861 21.696 -27.619 1.00 4.33 N ATOM 371 CA TYR A 22 3.932 22.680 -27.735 1.00 33.34 C ATOM 372 C TYR A 22 5.220 22.028 -28.228 1.00 74.33 C ATOM 373 O TYR A 22 6.293 22.626 -28.167 1.00 61.15 O ATOM 374 CB TYR A 22 4.176 23.360 -26.387 1.00 14.24 C ATOM 375 CG TYR A 22 4.327 24.861 -26.485 1.00 12.43 C ATOM 376 CD1 TYR A 22 3.271 25.660 -26.907 1.00 64.25 C ATOM 377 CD2 TYR A 22 5.525 25.482 -26.154 1.00 25.55 C ATOM 378 CE1 TYR A 22 3.406 27.032 -26.999 1.00 74.43 C ATOM 379 CE2 TYR A 22 5.668 26.853 -26.241 1.00 23.21 C ATOM 380 CZ TYR A 22 4.606 27.623 -26.665 1.00 13.42 C ATOM 381 OH TYR A 22 4.743 28.990 -26.754 1.00 30.25 O ATOM 0 H TYR A 22 3.077 20.908 -27.009 1.00 4.33 H new ATOM 0 HA TYR A 22 3.624 23.430 -28.463 1.00 33.34 H new ATOM 0 HB2 TYR A 22 3.347 23.130 -25.718 1.00 14.24 H new ATOM 0 HB3 TYR A 22 5.076 22.941 -25.936 1.00 14.24 H new ATOM 0 HD1 TYR A 22 2.329 25.201 -27.167 1.00 64.25 H new ATOM 0 HD2 TYR A 22 6.360 24.882 -25.823 1.00 25.55 H new ATOM 0 HE1 TYR A 22 2.576 27.638 -27.331 1.00 74.43 H new ATOM 0 HE2 TYR A 22 6.606 27.319 -25.978 1.00 23.21 H new ATOM 0 HH TYR A 22 5.649 29.246 -26.482 1.00 30.25 H new ATOM 391 N GLU A 23 5.102 20.797 -28.718 1.00 4.24 N ATOM 392 CA GLU A 23 6.257 20.063 -29.222 1.00 1.32 C ATOM 393 C GLU A 23 6.121 19.797 -30.718 1.00 62.32 C ATOM 394 O GLU A 23 7.117 19.641 -31.425 1.00 63.54 O ATOM 395 CB GLU A 23 6.417 18.741 -28.469 1.00 71.55 C ATOM 396 CG GLU A 23 7.119 18.883 -27.130 1.00 0.44 C ATOM 397 CD GLU A 23 8.630 18.840 -27.255 1.00 14.00 C ATOM 398 OE1 GLU A 23 9.181 17.728 -27.389 1.00 24.43 O ATOM 399 OE2 GLU A 23 9.260 19.917 -27.219 1.00 54.41 O ATOM 0 H GLU A 23 4.220 20.288 -28.776 1.00 4.24 H new ATOM 0 HA GLU A 23 7.144 20.675 -29.059 1.00 1.32 H new ATOM 0 HB2 GLU A 23 5.432 18.303 -28.308 1.00 71.55 H new ATOM 0 HB3 GLU A 23 6.978 18.044 -29.091 1.00 71.55 H new ATOM 0 HG2 GLU A 23 6.823 19.825 -26.667 1.00 0.44 H new ATOM 0 HG3 GLU A 23 6.790 18.084 -26.465 1.00 0.44 H new ATOM 406 N HIS A 24 4.881 19.745 -31.194 1.00 41.40 N ATOM 407 CA HIS A 24 4.614 19.498 -32.606 1.00 73.34 C ATOM 408 C HIS A 24 5.411 20.456 -33.486 1.00 73.14 C ATOM 409 O HIS A 24 5.913 20.073 -34.544 1.00 11.32 O ATOM 410 CB HIS A 24 3.120 19.643 -32.897 1.00 73.54 C ATOM 411 CG HIS A 24 2.584 21.012 -32.614 1.00 3.30 C ATOM 412 ND1 HIS A 24 1.984 21.799 -33.574 1.00 43.41 N ATOM 413 CD2 HIS A 24 2.560 21.734 -31.469 1.00 34.31 C ATOM 414 CE1 HIS A 24 1.615 22.946 -33.032 1.00 43.35 C ATOM 415 NE2 HIS A 24 1.952 22.932 -31.755 1.00 65.35 N ATOM 0 H HIS A 24 4.046 19.871 -30.622 1.00 41.40 H new ATOM 0 HA HIS A 24 4.924 18.479 -32.836 1.00 73.34 H new ATOM 0 HB2 HIS A 24 2.937 19.400 -33.944 1.00 73.54 H new ATOM 0 HB3 HIS A 24 2.570 18.916 -32.300 1.00 73.54 H new ATOM 0 HD2 HIS A 24 2.947 21.425 -30.509 1.00 34.31 H new ATOM 0 HE1 HIS A 24 1.121 23.758 -33.546 1.00 43.35 H new ATOM 0 HE2 HIS A 24 1.788 23.688 -31.090 1.00 65.35 H new ATOM 423 N THR A 25 5.523 21.704 -33.043 1.00 54.55 N ATOM 424 CA THR A 25 6.256 22.718 -33.791 1.00 63.21 C ATOM 425 C THR A 25 6.856 23.763 -32.858 1.00 13.35 C ATOM 426 O THR A 25 6.228 24.781 -32.566 1.00 44.12 O ATOM 427 CB THR A 25 5.351 23.423 -34.819 1.00 63.41 C ATOM 428 OG1 THR A 25 4.295 24.117 -34.147 1.00 34.01 O ATOM 429 CG2 THR A 25 4.762 22.419 -35.799 1.00 45.44 C ATOM 0 H THR A 25 5.115 22.037 -32.169 1.00 54.55 H new ATOM 0 HA THR A 25 7.058 22.202 -34.319 1.00 63.21 H new ATOM 0 HB THR A 25 5.958 24.137 -35.375 1.00 63.41 H new ATOM 0 HG1 THR A 25 4.675 24.715 -33.470 1.00 34.01 H new ATOM 0 HG21 THR A 25 4.127 22.940 -36.515 1.00 45.44 H new ATOM 0 HG22 THR A 25 5.568 21.913 -36.330 1.00 45.44 H new ATOM 0 HG23 THR A 25 4.169 21.684 -35.255 1.00 45.44 H new ATOM 437 N MET A 26 8.074 23.505 -32.392 1.00 55.51 N ATOM 438 CA MET A 26 8.758 24.427 -31.492 1.00 62.45 C ATOM 439 C MET A 26 10.263 24.416 -31.745 1.00 35.31 C ATOM 440 O MET A 26 10.810 25.349 -32.333 1.00 4.31 O ATOM 441 CB MET A 26 8.471 24.058 -30.036 1.00 1.34 C ATOM 442 CG MET A 26 7.548 25.039 -29.331 1.00 51.23 C ATOM 443 SD MET A 26 8.263 26.688 -29.192 1.00 3.44 S ATOM 444 CE MET A 26 7.231 27.603 -30.334 1.00 15.32 C ATOM 0 H MET A 26 8.607 22.666 -32.622 1.00 55.51 H new ATOM 0 HA MET A 26 8.382 25.432 -31.685 1.00 62.45 H new ATOM 0 HB2 MET A 26 8.025 23.064 -30.003 1.00 1.34 H new ATOM 0 HB3 MET A 26 9.413 24.003 -29.491 1.00 1.34 H new ATOM 0 HG2 MET A 26 6.606 25.101 -29.875 1.00 51.23 H new ATOM 0 HG3 MET A 26 7.317 24.662 -28.335 1.00 51.23 H new ATOM 0 HE1 MET A 26 7.183 28.647 -30.024 1.00 15.32 H new ATOM 0 HE2 MET A 26 7.654 27.541 -31.337 1.00 15.32 H new ATOM 0 HE3 MET A 26 6.227 27.179 -30.337 1.00 15.32 H new ATOM 454 N LEU A 27 10.925 23.355 -31.297 1.00 43.21 N ATOM 455 CA LEU A 27 12.367 23.223 -31.474 1.00 43.14 C ATOM 456 C LEU A 27 12.691 22.189 -32.548 1.00 4.20 C ATOM 457 O LEU A 27 13.773 21.602 -32.550 1.00 71.13 O ATOM 458 CB LEU A 27 13.029 22.828 -30.153 1.00 44.03 C ATOM 459 CG LEU A 27 14.199 23.703 -29.700 1.00 53.14 C ATOM 460 CD1 LEU A 27 15.346 23.618 -30.696 1.00 14.35 C ATOM 461 CD2 LEU A 27 13.748 25.146 -29.525 1.00 2.02 C ATOM 0 H LEU A 27 10.487 22.574 -30.809 1.00 43.21 H new ATOM 0 HA LEU A 27 12.759 24.188 -31.795 1.00 43.14 H new ATOM 0 HB2 LEU A 27 12.269 22.839 -29.371 1.00 44.03 H new ATOM 0 HB3 LEU A 27 13.382 21.800 -30.240 1.00 44.03 H new ATOM 0 HG LEU A 27 14.553 23.334 -28.737 1.00 53.14 H new ATOM 0 HD11 LEU A 27 16.169 24.247 -30.357 1.00 14.35 H new ATOM 0 HD12 LEU A 27 15.686 22.585 -30.772 1.00 14.35 H new ATOM 0 HD13 LEU A 27 15.006 23.961 -31.673 1.00 14.35 H new ATOM 0 HD21 LEU A 27 14.593 25.755 -29.202 1.00 2.02 H new ATOM 0 HD22 LEU A 27 13.368 25.526 -30.473 1.00 2.02 H new ATOM 0 HD23 LEU A 27 12.960 25.192 -28.774 1.00 2.02 H new ATOM 473 N GLN A 28 11.748 21.974 -33.459 1.00 41.12 N ATOM 474 CA GLN A 28 11.935 21.012 -34.539 1.00 12.20 C ATOM 475 C GLN A 28 11.994 21.716 -35.891 1.00 33.22 C ATOM 476 O GLN A 28 11.795 21.095 -36.935 1.00 64.13 O ATOM 477 CB GLN A 28 10.803 19.983 -34.535 1.00 51.31 C ATOM 478 CG GLN A 28 11.194 18.651 -33.917 1.00 21.31 C ATOM 479 CD GLN A 28 10.992 17.486 -34.866 1.00 22.45 C ATOM 480 OE1 GLN A 28 9.878 17.227 -35.321 1.00 72.11 O ATOM 481 NE2 GLN A 28 12.072 16.775 -35.169 1.00 21.10 N ATOM 0 H GLN A 28 10.847 22.452 -33.471 1.00 41.12 H new ATOM 0 HA GLN A 28 12.883 20.499 -34.375 1.00 12.20 H new ATOM 0 HB2 GLN A 28 9.953 20.392 -33.988 1.00 51.31 H new ATOM 0 HB3 GLN A 28 10.472 19.815 -35.560 1.00 51.31 H new ATOM 0 HG2 GLN A 28 12.240 18.689 -33.612 1.00 21.31 H new ATOM 0 HG3 GLN A 28 10.605 18.486 -33.015 1.00 21.31 H new ATOM 0 HE21 GLN A 28 12.976 17.025 -34.769 1.00 21.10 H new ATOM 0 HE22 GLN A 28 11.997 15.979 -35.802 1.00 21.10 H new ATOM 490 N LYS A 29 12.267 23.016 -35.864 1.00 61.21 N ATOM 491 CA LYS A 29 12.353 23.805 -37.087 1.00 3.31 C ATOM 492 C LYS A 29 11.062 23.704 -37.892 1.00 72.01 C ATOM 493 O LYS A 29 11.058 23.905 -39.107 1.00 32.22 O ATOM 494 CB LYS A 29 13.536 23.337 -37.938 1.00 53.23 C ATOM 495 CG LYS A 29 14.823 23.168 -37.151 1.00 22.15 C ATOM 496 CD LYS A 29 16.017 23.727 -37.906 1.00 61.44 C ATOM 497 CE LYS A 29 17.301 22.998 -37.538 1.00 55.12 C ATOM 498 NZ LYS A 29 17.670 21.976 -38.556 1.00 72.03 N ATOM 0 H LYS A 29 12.433 23.546 -35.008 1.00 61.21 H new ATOM 0 HA LYS A 29 12.505 24.848 -36.807 1.00 3.31 H new ATOM 0 HB2 LYS A 29 13.281 22.388 -38.409 1.00 53.23 H new ATOM 0 HB3 LYS A 29 13.702 24.056 -38.740 1.00 53.23 H new ATOM 0 HG2 LYS A 29 14.731 23.673 -36.189 1.00 22.15 H new ATOM 0 HG3 LYS A 29 14.986 22.111 -36.942 1.00 22.15 H new ATOM 0 HD2 LYS A 29 15.843 23.641 -38.979 1.00 61.44 H new ATOM 0 HD3 LYS A 29 16.124 24.789 -37.685 1.00 61.44 H new ATOM 0 HE2 LYS A 29 18.112 23.719 -37.437 1.00 55.12 H new ATOM 0 HE3 LYS A 29 17.180 22.517 -36.568 1.00 55.12 H new ATOM 0 HZ1 LYS A 29 18.550 21.502 -38.269 1.00 72.03 H new ATOM 0 HZ2 LYS A 29 16.908 21.273 -38.634 1.00 72.03 H new ATOM 0 HZ3 LYS A 29 17.811 22.438 -39.477 1.00 72.03 H new ATOM 512 N LYS A 30 9.966 23.393 -37.208 1.00 23.42 N ATOM 513 CA LYS A 30 8.667 23.267 -37.858 1.00 42.31 C ATOM 514 C LYS A 30 8.748 22.329 -39.058 1.00 53.43 C ATOM 515 O LYS A 30 8.748 21.108 -38.905 1.00 24.32 O ATOM 516 CB LYS A 30 8.163 24.641 -38.304 1.00 55.52 C ATOM 517 CG LYS A 30 6.760 24.962 -37.818 1.00 33.53 C ATOM 518 CD LYS A 30 6.761 26.122 -36.836 1.00 71.34 C ATOM 519 CE LYS A 30 5.347 26.513 -36.434 1.00 42.13 C ATOM 520 NZ LYS A 30 5.133 27.984 -36.521 1.00 2.23 N ATOM 0 H LYS A 30 9.952 23.223 -36.202 1.00 23.42 H new ATOM 0 HA LYS A 30 7.966 22.846 -37.137 1.00 42.31 H new ATOM 0 HB2 LYS A 30 8.849 25.406 -37.939 1.00 55.52 H new ATOM 0 HB3 LYS A 30 8.181 24.689 -39.393 1.00 55.52 H new ATOM 0 HG2 LYS A 30 6.126 25.206 -38.670 1.00 33.53 H new ATOM 0 HG3 LYS A 30 6.329 24.081 -37.342 1.00 33.53 H new ATOM 0 HD2 LYS A 30 7.330 25.848 -35.948 1.00 71.34 H new ATOM 0 HD3 LYS A 30 7.263 26.979 -37.284 1.00 71.34 H new ATOM 0 HE2 LYS A 30 4.632 26.003 -37.079 1.00 42.13 H new ATOM 0 HE3 LYS A 30 5.153 26.177 -35.415 1.00 42.13 H new ATOM 0 HZ1 LYS A 30 4.158 28.210 -36.239 1.00 2.23 H new ATOM 0 HZ2 LYS A 30 5.798 28.470 -35.886 1.00 2.23 H new ATOM 0 HZ3 LYS A 30 5.293 28.301 -37.499 1.00 2.23 H new TER 534 LYS A 30