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 Single : A 1 LYS N :NH3+ -131:sc= -0.17 (180deg=-1.06) 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= -0.072 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0907 X(o=-0.091,f=-0.091) USER MOD Single : A 21 THR OG1 : rot 114:sc= 1.29 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0047) USER MOD Single : A 25 THR OG1 : 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= -0.042 X(o=-0.042,f=-0.042) 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 1.304 2.143 -3.258 1.00 2.34 N ATOM 2 CA LYS A 1 1.275 0.720 -3.574 1.00 41.43 C ATOM 3 C LYS A 1 1.324 0.497 -5.082 1.00 42.55 C ATOM 4 O LYS A 1 0.404 -0.076 -5.666 1.00 40.42 O ATOM 5 CB LYS A 1 0.016 0.073 -2.993 1.00 40.11 C ATOM 6 CG LYS A 1 -0.126 0.259 -1.492 1.00 71.04 C ATOM 7 CD LYS A 1 0.647 -0.799 -0.724 1.00 25.23 C ATOM 8 CE LYS A 1 1.786 -0.186 0.077 1.00 42.34 C ATOM 9 NZ LYS A 1 1.966 -0.860 1.392 1.00 71.30 N ATOM 0 H1 LYS A 1 2.023 2.322 -2.528 1.00 2.34 H new ATOM 0 H2 LYS A 1 1.538 2.684 -4.115 1.00 2.34 H new ATOM 0 H3 LYS A 1 0.372 2.439 -2.905 1.00 2.34 H new ATOM 0 HA LYS A 1 2.154 0.256 -3.127 1.00 41.43 H new ATOM 0 HB2 LYS A 1 -0.860 0.494 -3.487 1.00 40.11 H new ATOM 0 HB3 LYS A 1 0.028 -0.993 -3.219 1.00 40.11 H new ATOM 0 HG2 LYS A 1 0.234 1.249 -1.211 1.00 71.04 H new ATOM 0 HG3 LYS A 1 -1.180 0.213 -1.217 1.00 71.04 H new ATOM 0 HD2 LYS A 1 -0.028 -1.328 -0.052 1.00 25.23 H new ATOM 0 HD3 LYS A 1 1.046 -1.537 -1.420 1.00 25.23 H new ATOM 0 HE2 LYS A 1 2.711 -0.255 -0.496 1.00 42.34 H new ATOM 0 HE3 LYS A 1 1.588 0.874 0.236 1.00 42.34 H new ATOM 0 HZ1 LYS A 1 2.751 -0.413 1.907 1.00 71.30 H new ATOM 0 HZ2 LYS A 1 1.092 -0.772 1.949 1.00 71.30 H new ATOM 0 HZ3 LYS A 1 2.180 -1.866 1.240 1.00 71.30 H new ATOM 23 N LYS A 2 2.404 0.953 -5.708 1.00 63.43 N ATOM 24 CA LYS A 2 2.576 0.801 -7.148 1.00 73.23 C ATOM 25 C LYS A 2 1.493 1.560 -7.908 1.00 51.41 C ATOM 26 O LYS A 2 1.275 1.325 -9.097 1.00 15.33 O ATOM 27 CB LYS A 2 2.541 -0.680 -7.534 1.00 13.14 C ATOM 28 CG LYS A 2 3.168 -1.594 -6.495 1.00 13.41 C ATOM 29 CD LYS A 2 3.635 -2.901 -7.112 1.00 23.10 C ATOM 30 CE LYS A 2 2.486 -3.883 -7.274 1.00 75.43 C ATOM 31 NZ LYS A 2 2.264 -4.687 -6.040 1.00 64.23 N ATOM 0 H LYS A 2 3.174 1.431 -5.240 1.00 63.43 H new ATOM 0 HA LYS A 2 3.546 1.218 -7.418 1.00 73.23 H new ATOM 0 HB2 LYS A 2 1.506 -0.981 -7.693 1.00 13.14 H new ATOM 0 HB3 LYS A 2 3.061 -0.812 -8.483 1.00 13.14 H new ATOM 0 HG2 LYS A 2 4.013 -1.089 -6.027 1.00 13.41 H new ATOM 0 HG3 LYS A 2 2.444 -1.801 -5.707 1.00 13.41 H new ATOM 0 HD2 LYS A 2 4.087 -2.705 -8.084 1.00 23.10 H new ATOM 0 HD3 LYS A 2 4.408 -3.345 -6.485 1.00 23.10 H new ATOM 0 HE2 LYS A 2 1.575 -3.338 -7.521 1.00 75.43 H new ATOM 0 HE3 LYS A 2 2.694 -4.551 -8.110 1.00 75.43 H new ATOM 0 HZ1 LYS A 2 1.472 -5.344 -6.192 1.00 64.23 H new ATOM 0 HZ2 LYS A 2 3.125 -5.227 -5.818 1.00 64.23 H new ATOM 0 HZ3 LYS A 2 2.040 -4.052 -5.248 1.00 64.23 H new ATOM 45 N ARG A 3 0.819 2.472 -7.215 1.00 0.40 N ATOM 46 CA ARG A 3 -0.241 3.266 -7.825 1.00 44.41 C ATOM 47 C ARG A 3 0.328 4.219 -8.873 1.00 22.31 C ATOM 48 O ARG A 3 0.652 5.368 -8.572 1.00 21.34 O ATOM 49 CB ARG A 3 -0.993 4.059 -6.755 1.00 54.20 C ATOM 50 CG ARG A 3 -0.083 4.846 -5.827 1.00 2.04 C ATOM 51 CD ARG A 3 -0.386 6.335 -5.880 1.00 3.34 C ATOM 52 NE ARG A 3 -1.461 6.708 -4.965 1.00 12.04 N ATOM 53 CZ ARG A 3 -1.783 7.965 -4.682 1.00 53.55 C ATOM 54 NH1 ARG A 3 -1.116 8.966 -5.242 1.00 33.43 N ATOM 55 NH2 ARG A 3 -2.775 8.225 -3.840 1.00 22.54 N ATOM 0 H ARG A 3 0.988 2.679 -6.231 1.00 0.40 H new ATOM 0 HA ARG A 3 -0.934 2.584 -8.317 1.00 44.41 H new ATOM 0 HB2 ARG A 3 -1.683 4.747 -7.243 1.00 54.20 H new ATOM 0 HB3 ARG A 3 -1.595 3.371 -6.162 1.00 54.20 H new ATOM 0 HG2 ARG A 3 -0.204 4.485 -4.806 1.00 2.04 H new ATOM 0 HG3 ARG A 3 0.957 4.675 -6.105 1.00 2.04 H new ATOM 0 HD2 ARG A 3 0.514 6.897 -5.630 1.00 3.34 H new ATOM 0 HD3 ARG A 3 -0.663 6.612 -6.897 1.00 3.34 H new ATOM 0 HE ARG A 3 -1.994 5.962 -4.518 1.00 12.04 H new ATOM 0 HH11 ARG A 3 -0.354 8.771 -5.891 1.00 33.43 H new ATOM 0 HH12 ARG A 3 -1.365 9.931 -5.023 1.00 33.43 H new ATOM 0 HH21 ARG A 3 -3.292 7.459 -3.409 1.00 22.54 H new ATOM 0 HH22 ARG A 3 -3.021 9.191 -3.624 1.00 22.54 H new ATOM 69 N TYR A 4 0.447 3.733 -10.103 1.00 64.14 N ATOM 70 CA TYR A 4 0.980 4.539 -11.195 1.00 52.42 C ATOM 71 C TYR A 4 2.421 4.953 -10.914 1.00 41.22 C ATOM 72 O TYR A 4 2.951 5.869 -11.544 1.00 15.33 O ATOM 73 CB TYR A 4 0.113 5.782 -11.409 1.00 63.43 C ATOM 74 CG TYR A 4 -1.019 5.569 -12.389 1.00 22.34 C ATOM 75 CD1 TYR A 4 -1.760 4.393 -12.379 1.00 3.20 C ATOM 76 CD2 TYR A 4 -1.347 6.542 -13.324 1.00 12.22 C ATOM 77 CE1 TYR A 4 -2.795 4.194 -13.272 1.00 64.22 C ATOM 78 CE2 TYR A 4 -2.381 6.352 -14.220 1.00 13.12 C ATOM 79 CZ TYR A 4 -3.102 5.176 -14.190 1.00 42.32 C ATOM 80 OH TYR A 4 -4.132 4.982 -15.082 1.00 43.50 O ATOM 0 H TYR A 4 0.182 2.785 -10.369 1.00 64.14 H new ATOM 0 HA TYR A 4 0.966 3.933 -12.101 1.00 52.42 H new ATOM 0 HB2 TYR A 4 -0.301 6.095 -10.451 1.00 63.43 H new ATOM 0 HB3 TYR A 4 0.743 6.597 -11.766 1.00 63.43 H new ATOM 0 HD1 TYR A 4 -1.523 3.622 -11.661 1.00 3.20 H new ATOM 0 HD2 TYR A 4 -0.784 7.463 -13.351 1.00 12.22 H new ATOM 0 HE1 TYR A 4 -3.361 3.274 -13.251 1.00 64.22 H new ATOM 0 HE2 TYR A 4 -2.624 7.120 -14.940 1.00 13.12 H new ATOM 0 HH TYR A 4 -4.218 5.770 -15.659 1.00 43.50 H new ATOM 90 N VAL A 5 3.051 4.270 -9.964 1.00 4.33 N ATOM 91 CA VAL A 5 4.432 4.564 -9.599 1.00 1.11 C ATOM 92 C VAL A 5 5.340 3.373 -9.881 1.00 24.44 C ATOM 93 O VAL A 5 6.564 3.481 -9.808 1.00 41.11 O ATOM 94 CB VAL A 5 4.551 4.946 -8.111 1.00 74.34 C ATOM 95 CG1 VAL A 5 3.934 6.313 -7.860 1.00 40.30 C ATOM 96 CG2 VAL A 5 3.896 3.887 -7.237 1.00 15.54 C ATOM 0 H VAL A 5 2.627 3.509 -9.433 1.00 4.33 H new ATOM 0 HA VAL A 5 4.747 5.410 -10.209 1.00 1.11 H new ATOM 0 HB VAL A 5 5.608 4.998 -7.849 1.00 74.34 H new ATOM 0 HG11 VAL A 5 4.027 6.566 -6.804 1.00 40.30 H new ATOM 0 HG12 VAL A 5 4.452 7.062 -8.460 1.00 40.30 H new ATOM 0 HG13 VAL A 5 2.880 6.293 -8.136 1.00 40.30 H new ATOM 0 HG21 VAL A 5 3.989 4.172 -6.189 1.00 15.54 H new ATOM 0 HG22 VAL A 5 2.841 3.802 -7.498 1.00 15.54 H new ATOM 0 HG23 VAL A 5 4.388 2.928 -7.397 1.00 15.54 H new ATOM 106 N ALA A 6 4.733 2.235 -10.203 1.00 13.43 N ATOM 107 CA ALA A 6 5.487 1.023 -10.498 1.00 54.40 C ATOM 108 C ALA A 6 6.141 1.105 -11.873 1.00 10.20 C ATOM 109 O ALA A 6 7.059 0.345 -12.180 1.00 75.11 O ATOM 110 CB ALA A 6 4.580 -0.196 -10.415 1.00 10.44 C ATOM 0 H ALA A 6 3.721 2.127 -10.266 1.00 13.43 H new ATOM 0 HA ALA A 6 6.277 0.926 -9.754 1.00 54.40 H new ATOM 0 HB1 ALA A 6 5.156 -1.094 -10.638 1.00 10.44 H new ATOM 0 HB2 ALA A 6 4.163 -0.272 -9.411 1.00 10.44 H new ATOM 0 HB3 ALA A 6 3.770 -0.096 -11.137 1.00 10.44 H new ATOM 116 N MET A 7 5.662 2.032 -12.697 1.00 24.13 N ATOM 117 CA MET A 7 6.202 2.213 -14.039 1.00 62.44 C ATOM 118 C MET A 7 7.057 3.473 -14.116 1.00 44.34 C ATOM 119 O MET A 7 7.737 3.714 -15.114 1.00 4.20 O ATOM 120 CB MET A 7 5.067 2.289 -15.062 1.00 62.14 C ATOM 121 CG MET A 7 4.850 0.993 -15.827 1.00 33.05 C ATOM 122 SD MET A 7 3.133 0.443 -15.787 1.00 20.14 S ATOM 123 CE MET A 7 3.326 -1.296 -16.170 1.00 32.13 C ATOM 0 H MET A 7 4.902 2.669 -12.459 1.00 24.13 H new ATOM 0 HA MET A 7 6.832 1.354 -14.269 1.00 62.44 H new ATOM 0 HB2 MET A 7 4.144 2.557 -14.549 1.00 62.14 H new ATOM 0 HB3 MET A 7 5.281 3.088 -15.771 1.00 62.14 H new ATOM 0 HG2 MET A 7 5.159 1.131 -16.863 1.00 33.05 H new ATOM 0 HG3 MET A 7 5.487 0.215 -15.405 1.00 33.05 H new ATOM 0 HE1 MET A 7 2.348 -1.777 -16.182 1.00 32.13 H new ATOM 0 HE2 MET A 7 3.795 -1.403 -17.148 1.00 32.13 H new ATOM 0 HE3 MET A 7 3.953 -1.768 -15.413 1.00 32.13 H new ATOM 133 N VAL A 8 7.018 4.275 -13.057 1.00 4.21 N ATOM 134 CA VAL A 8 7.791 5.511 -13.005 1.00 35.14 C ATOM 135 C VAL A 8 8.905 5.419 -11.969 1.00 25.21 C ATOM 136 O VAL A 8 9.862 6.193 -12.002 1.00 1.54 O ATOM 137 CB VAL A 8 6.895 6.719 -12.672 1.00 74.13 C ATOM 138 CG1 VAL A 8 7.635 8.021 -12.935 1.00 51.44 C ATOM 139 CG2 VAL A 8 5.602 6.659 -13.473 1.00 4.43 C ATOM 0 H VAL A 8 6.460 4.091 -12.223 1.00 4.21 H new ATOM 0 HA VAL A 8 8.228 5.653 -13.993 1.00 35.14 H new ATOM 0 HB VAL A 8 6.642 6.681 -11.613 1.00 74.13 H new ATOM 0 HG11 VAL A 8 6.986 8.863 -12.694 1.00 51.44 H new ATOM 0 HG12 VAL A 8 8.530 8.063 -12.314 1.00 51.44 H new ATOM 0 HG13 VAL A 8 7.920 8.072 -13.986 1.00 51.44 H new ATOM 0 HG21 VAL A 8 4.981 7.520 -13.226 1.00 4.43 H new ATOM 0 HG22 VAL A 8 5.833 6.672 -14.538 1.00 4.43 H new ATOM 0 HG23 VAL A 8 5.065 5.742 -13.229 1.00 4.43 H new ATOM 149 N ILE A 9 8.776 4.467 -11.051 1.00 72.22 N ATOM 150 CA ILE A 9 9.774 4.272 -10.007 1.00 15.44 C ATOM 151 C ILE A 9 11.171 4.129 -10.601 1.00 34.34 C ATOM 152 O ILE A 9 12.166 4.471 -9.962 1.00 33.22 O ATOM 153 CB ILE A 9 9.460 3.029 -9.153 1.00 44.13 C ATOM 154 CG1 ILE A 9 10.546 2.823 -8.095 1.00 42.21 C ATOM 155 CG2 ILE A 9 9.335 1.798 -10.038 1.00 31.42 C ATOM 156 CD1 ILE A 9 10.105 1.954 -6.938 1.00 64.23 C ATOM 0 H ILE A 9 7.990 3.819 -11.009 1.00 72.22 H new ATOM 0 HA ILE A 9 9.742 5.157 -9.371 1.00 15.44 H new ATOM 0 HB ILE A 9 8.509 3.186 -8.644 1.00 44.13 H new ATOM 0 HG12 ILE A 9 11.419 2.372 -8.566 1.00 42.21 H new ATOM 0 HG13 ILE A 9 10.857 3.795 -7.711 1.00 42.21 H new ATOM 0 HG21 ILE A 9 9.113 0.927 -9.421 1.00 31.42 H new ATOM 0 HG22 ILE A 9 8.530 1.947 -10.758 1.00 31.42 H new ATOM 0 HG23 ILE A 9 10.272 1.636 -10.570 1.00 31.42 H new ATOM 0 HD11 ILE A 9 10.925 1.851 -6.227 1.00 64.23 H new ATOM 0 HD12 ILE A 9 9.250 2.414 -6.442 1.00 64.23 H new ATOM 0 HD13 ILE A 9 9.822 0.969 -7.310 1.00 64.23 H new ATOM 168 N TRP A 10 11.237 3.623 -11.827 1.00 33.44 N ATOM 169 CA TRP A 10 12.513 3.435 -12.508 1.00 55.42 C ATOM 170 C TRP A 10 13.284 4.748 -12.590 1.00 54.12 C ATOM 171 O TRP A 10 14.479 4.797 -12.296 1.00 71.04 O ATOM 172 CB TRP A 10 12.286 2.874 -13.913 1.00 1.01 C ATOM 173 CG TRP A 10 12.423 1.383 -13.986 1.00 15.21 C ATOM 174 CD1 TRP A 10 11.431 0.481 -14.249 1.00 1.44 C ATOM 175 CD2 TRP A 10 13.619 0.622 -13.792 1.00 23.32 C ATOM 176 NE1 TRP A 10 11.940 -0.795 -14.229 1.00 54.04 N ATOM 177 CE2 TRP A 10 13.280 -0.736 -13.952 1.00 52.04 C ATOM 178 CE3 TRP A 10 14.945 0.954 -13.500 1.00 52.52 C ATOM 179 CZ2 TRP A 10 14.218 -1.757 -13.829 1.00 62.14 C ATOM 180 CZ3 TRP A 10 15.875 -0.060 -13.378 1.00 71.31 C ATOM 181 CH2 TRP A 10 15.509 -1.403 -13.543 1.00 55.43 C ATOM 0 H TRP A 10 10.423 3.336 -12.370 1.00 33.44 H new ATOM 0 HA TRP A 10 13.104 2.724 -11.931 1.00 55.42 H new ATOM 0 HB2 TRP A 10 11.290 3.157 -14.253 1.00 1.01 H new ATOM 0 HB3 TRP A 10 12.999 3.331 -14.599 1.00 1.01 H new ATOM 0 HD1 TRP A 10 10.399 0.734 -14.444 1.00 1.44 H new ATOM 0 HE1 TRP A 10 11.406 -1.648 -14.394 1.00 54.04 H new ATOM 0 HE3 TRP A 10 15.237 1.986 -13.372 1.00 52.52 H new ATOM 0 HZ2 TRP A 10 13.937 -2.792 -13.955 1.00 62.14 H new ATOM 0 HZ3 TRP A 10 16.902 0.186 -13.152 1.00 71.31 H new ATOM 0 HH2 TRP A 10 16.260 -2.173 -13.443 1.00 55.43 H new ATOM 192 N LEU A 11 12.594 5.810 -12.991 1.00 12.44 N ATOM 193 CA LEU A 11 13.215 7.125 -13.111 1.00 14.12 C ATOM 194 C LEU A 11 13.448 7.745 -11.737 1.00 20.33 C ATOM 195 O LEU A 11 14.417 8.476 -11.531 1.00 11.12 O ATOM 196 CB LEU A 11 12.338 8.049 -13.957 1.00 52.44 C ATOM 197 CG LEU A 11 12.601 8.031 -15.464 1.00 21.55 C ATOM 198 CD1 LEU A 11 13.945 8.669 -15.779 1.00 12.35 C ATOM 199 CD2 LEU A 11 12.548 6.606 -15.996 1.00 54.15 C ATOM 0 H LEU A 11 11.605 5.787 -13.239 1.00 12.44 H new ATOM 0 HA LEU A 11 14.180 7.000 -13.601 1.00 14.12 H new ATOM 0 HB2 LEU A 11 11.295 7.782 -13.787 1.00 52.44 H new ATOM 0 HB3 LEU A 11 12.469 9.070 -13.598 1.00 52.44 H new ATOM 0 HG LEU A 11 11.822 8.612 -15.957 1.00 21.55 H new ATOM 0 HD11 LEU A 11 14.115 8.647 -16.855 1.00 12.35 H new ATOM 0 HD12 LEU A 11 13.947 9.702 -15.432 1.00 12.35 H new ATOM 0 HD13 LEU A 11 14.737 8.115 -15.275 1.00 12.35 H new ATOM 0 HD21 LEU A 11 12.737 6.611 -17.069 1.00 54.15 H new ATOM 0 HD22 LEU A 11 13.306 6.003 -15.497 1.00 54.15 H new ATOM 0 HD23 LEU A 11 11.562 6.182 -15.803 1.00 54.15 H new ATOM 211 N TYR A 12 12.556 7.446 -10.799 1.00 74.44 N ATOM 212 CA TYR A 12 12.664 7.973 -9.445 1.00 1.35 C ATOM 213 C TYR A 12 13.781 7.275 -8.676 1.00 22.55 C ATOM 214 O TYR A 12 14.244 7.767 -7.647 1.00 21.13 O ATOM 215 CB TYR A 12 11.337 7.807 -8.702 1.00 62.21 C ATOM 216 CG TYR A 12 10.194 8.576 -9.325 1.00 3.54 C ATOM 217 CD1 TYR A 12 10.414 9.791 -9.963 1.00 23.14 C ATOM 218 CD2 TYR A 12 8.894 8.088 -9.276 1.00 2.44 C ATOM 219 CE1 TYR A 12 9.373 10.498 -10.532 1.00 31.41 C ATOM 220 CE2 TYR A 12 7.847 8.788 -9.844 1.00 32.45 C ATOM 221 CZ TYR A 12 8.091 9.992 -10.470 1.00 61.10 C ATOM 222 OH TYR A 12 7.051 10.692 -11.037 1.00 42.22 O ATOM 0 H TYR A 12 11.749 6.841 -10.952 1.00 74.44 H new ATOM 0 HA TYR A 12 12.903 9.034 -9.514 1.00 1.35 H new ATOM 0 HB2 TYR A 12 11.078 6.749 -8.671 1.00 62.21 H new ATOM 0 HB3 TYR A 12 11.464 8.134 -7.670 1.00 62.21 H new ATOM 0 HD1 TYR A 12 11.417 10.189 -10.015 1.00 23.14 H new ATOM 0 HD2 TYR A 12 8.699 7.146 -8.786 1.00 2.44 H new ATOM 0 HE1 TYR A 12 9.561 11.441 -11.023 1.00 31.41 H new ATOM 0 HE2 TYR A 12 6.842 8.394 -9.798 1.00 32.45 H new ATOM 0 HH TYR A 12 6.215 10.198 -10.907 1.00 42.22 H new ATOM 232 N SER A 13 14.210 6.123 -9.183 1.00 50.44 N ATOM 233 CA SER A 13 15.271 5.354 -8.544 1.00 33.30 C ATOM 234 C SER A 13 16.453 5.167 -9.490 1.00 52.43 C ATOM 235 O SER A 13 17.227 4.220 -9.355 1.00 53.23 O ATOM 236 CB SER A 13 14.741 3.990 -8.096 1.00 63.14 C ATOM 237 OG SER A 13 15.143 3.698 -6.769 1.00 74.41 O ATOM 0 H SER A 13 13.839 5.702 -10.035 1.00 50.44 H new ATOM 0 HA SER A 13 15.612 5.909 -7.670 1.00 33.30 H new ATOM 0 HB2 SER A 13 13.653 3.980 -8.160 1.00 63.14 H new ATOM 0 HB3 SER A 13 15.107 3.215 -8.769 1.00 63.14 H new ATOM 0 HG SER A 13 14.791 2.822 -6.506 1.00 74.41 H new ATOM 243 N ALA A 14 16.585 6.079 -10.448 1.00 71.14 N ATOM 244 CA ALA A 14 17.673 6.017 -11.417 1.00 11.45 C ATOM 245 C ALA A 14 18.566 7.249 -11.318 1.00 1.34 C ATOM 246 O ALA A 14 19.762 7.186 -11.603 1.00 51.15 O ATOM 247 CB ALA A 14 17.118 5.877 -12.826 1.00 53.42 C ATOM 0 H ALA A 14 15.952 6.869 -10.574 1.00 71.14 H new ATOM 0 HA ALA A 14 18.280 5.141 -11.189 1.00 11.45 H new ATOM 0 HB1 ALA A 14 17.942 5.832 -13.539 1.00 53.42 H new ATOM 0 HB2 ALA A 14 16.528 4.963 -12.895 1.00 53.42 H new ATOM 0 HB3 ALA A 14 16.486 6.735 -13.055 1.00 53.42 H new ATOM 253 N PHE A 15 17.978 8.370 -10.912 1.00 30.23 N ATOM 254 CA PHE A 15 18.721 9.617 -10.777 1.00 14.51 C ATOM 255 C PHE A 15 19.426 9.687 -9.426 1.00 10.24 C ATOM 256 O PHE A 15 20.066 10.686 -9.099 1.00 5.54 O ATOM 257 CB PHE A 15 17.781 10.815 -10.937 1.00 23.30 C ATOM 258 CG PHE A 15 18.292 11.854 -11.893 1.00 63.15 C ATOM 259 CD1 PHE A 15 18.003 11.772 -13.246 1.00 34.11 C ATOM 260 CD2 PHE A 15 19.063 12.912 -11.440 1.00 51.41 C ATOM 261 CE1 PHE A 15 18.471 12.727 -14.129 1.00 20.32 C ATOM 262 CE2 PHE A 15 19.534 13.870 -12.318 1.00 54.41 C ATOM 263 CZ PHE A 15 19.238 13.777 -13.664 1.00 64.22 C ATOM 0 H PHE A 15 16.989 8.440 -10.671 1.00 30.23 H new ATOM 0 HA PHE A 15 19.476 9.648 -11.563 1.00 14.51 H new ATOM 0 HB2 PHE A 15 16.810 10.461 -11.283 1.00 23.30 H new ATOM 0 HB3 PHE A 15 17.624 11.276 -9.962 1.00 23.30 H new ATOM 0 HD1 PHE A 15 17.405 10.952 -13.615 1.00 34.11 H new ATOM 0 HD2 PHE A 15 19.299 12.989 -10.389 1.00 51.41 H new ATOM 0 HE1 PHE A 15 18.237 12.652 -15.181 1.00 20.32 H new ATOM 0 HE2 PHE A 15 20.133 14.691 -11.952 1.00 54.41 H new ATOM 0 HZ PHE A 15 19.606 14.524 -14.352 1.00 64.22 H new ATOM 273 N ARG A 16 19.303 8.619 -8.645 1.00 34.03 N ATOM 274 CA ARG A 16 19.926 8.559 -7.328 1.00 62.12 C ATOM 275 C ARG A 16 21.081 7.561 -7.318 1.00 54.15 C ATOM 276 O ARG A 16 22.104 7.787 -6.675 1.00 24.12 O ATOM 277 CB ARG A 16 18.893 8.171 -6.268 1.00 65.45 C ATOM 278 CG ARG A 16 18.035 6.980 -6.662 1.00 60.32 C ATOM 279 CD ARG A 16 17.074 6.593 -5.549 1.00 2.23 C ATOM 280 NE ARG A 16 15.944 7.513 -5.457 1.00 52.52 N ATOM 281 CZ ARG A 16 15.033 7.465 -4.492 1.00 32.23 C ATOM 282 NH1 ARG A 16 15.119 6.546 -3.540 1.00 60.41 N ATOM 283 NH2 ARG A 16 14.033 8.337 -4.477 1.00 1.25 N ATOM 0 H ARG A 16 18.778 7.783 -8.901 1.00 34.03 H new ATOM 0 HA ARG A 16 20.321 9.548 -7.095 1.00 62.12 H new ATOM 0 HB2 ARG A 16 19.409 7.943 -5.335 1.00 65.45 H new ATOM 0 HB3 ARG A 16 18.246 9.026 -6.073 1.00 65.45 H new ATOM 0 HG2 ARG A 16 17.472 7.219 -7.564 1.00 60.32 H new ATOM 0 HG3 ARG A 16 18.676 6.132 -6.902 1.00 60.32 H new ATOM 0 HD2 ARG A 16 16.705 5.582 -5.724 1.00 2.23 H new ATOM 0 HD3 ARG A 16 17.607 6.578 -4.599 1.00 2.23 H new ATOM 0 HE ARG A 16 15.849 8.233 -6.174 1.00 52.52 H new ATOM 0 HH11 ARG A 16 15.886 5.874 -3.548 1.00 60.41 H new ATOM 0 HH12 ARG A 16 14.418 6.511 -2.800 1.00 60.41 H new ATOM 0 HH21 ARG A 16 13.963 9.046 -5.207 1.00 1.25 H new ATOM 0 HH22 ARG A 16 13.334 8.299 -3.735 1.00 1.25 H new ATOM 297 N GLY A 17 20.907 6.456 -8.037 1.00 30.31 N ATOM 298 CA GLY A 17 21.941 5.440 -8.097 1.00 25.22 C ATOM 299 C GLY A 17 22.718 5.479 -9.398 1.00 3.32 C ATOM 300 O GLY A 17 23.421 4.528 -9.739 1.00 72.32 O ATOM 0 H GLY A 17 20.068 6.247 -8.579 1.00 30.31 H new ATOM 0 HA2 GLY A 17 22.629 5.576 -7.262 1.00 25.22 H new ATOM 0 HA3 GLY A 17 21.487 4.456 -7.978 1.00 25.22 H new ATOM 304 N VAL A 18 22.591 6.583 -10.128 1.00 24.02 N ATOM 305 CA VAL A 18 23.287 6.743 -11.399 1.00 72.23 C ATOM 306 C VAL A 18 23.607 8.208 -11.670 1.00 4.41 C ATOM 307 O VAL A 18 23.715 8.627 -12.822 1.00 53.31 O ATOM 308 CB VAL A 18 22.453 6.187 -12.569 1.00 20.42 C ATOM 309 CG1 VAL A 18 23.327 5.979 -13.797 1.00 14.54 C ATOM 310 CG2 VAL A 18 21.770 4.889 -12.165 1.00 74.35 C ATOM 0 H VAL A 18 22.013 7.379 -9.861 1.00 24.02 H new ATOM 0 HA VAL A 18 24.217 6.179 -11.324 1.00 72.23 H new ATOM 0 HB VAL A 18 21.682 6.915 -12.821 1.00 20.42 H new ATOM 0 HG11 VAL A 18 22.720 5.586 -14.613 1.00 14.54 H new ATOM 0 HG12 VAL A 18 23.766 6.931 -14.097 1.00 14.54 H new ATOM 0 HG13 VAL A 18 24.122 5.271 -13.562 1.00 14.54 H new ATOM 0 HG21 VAL A 18 21.185 4.510 -13.003 1.00 74.35 H new ATOM 0 HG22 VAL A 18 22.524 4.153 -11.886 1.00 74.35 H new ATOM 0 HG23 VAL A 18 21.111 5.073 -11.316 1.00 74.35 H new ATOM 320 N GLN A 19 23.760 8.982 -10.600 1.00 55.53 N ATOM 321 CA GLN A 19 24.068 10.402 -10.723 1.00 51.30 C ATOM 322 C GLN A 19 24.962 10.866 -9.578 1.00 15.35 C ATOM 323 O GLN A 19 26.165 11.059 -9.754 1.00 24.51 O ATOM 324 CB GLN A 19 22.779 11.226 -10.746 1.00 31.32 C ATOM 325 CG GLN A 19 23.016 12.726 -10.796 1.00 4.33 C ATOM 326 CD GLN A 19 23.981 13.128 -11.894 1.00 52.41 C ATOM 327 OE1 GLN A 19 23.721 12.905 -13.077 1.00 21.43 O ATOM 328 NE2 GLN A 19 25.102 13.726 -11.508 1.00 62.12 N ATOM 0 H GLN A 19 23.676 8.650 -9.639 1.00 55.53 H new ATOM 0 HA GLN A 19 24.603 10.552 -11.661 1.00 51.30 H new ATOM 0 HB2 GLN A 19 22.185 10.932 -11.611 1.00 31.32 H new ATOM 0 HB3 GLN A 19 22.190 10.989 -9.860 1.00 31.32 H new ATOM 0 HG2 GLN A 19 22.065 13.235 -10.949 1.00 4.33 H new ATOM 0 HG3 GLN A 19 23.406 13.061 -9.835 1.00 4.33 H new ATOM 0 HE21 GLN A 19 25.277 13.891 -10.517 1.00 62.12 H new ATOM 0 HE22 GLN A 19 25.788 14.020 -12.203 1.00 62.12 H new ATOM 337 N LEU A 20 24.365 11.045 -8.404 1.00 24.01 N ATOM 338 CA LEU A 20 25.107 11.487 -7.228 1.00 44.13 C ATOM 339 C LEU A 20 25.740 10.302 -6.506 1.00 35.22 C ATOM 340 O LEU A 20 26.565 10.475 -5.609 1.00 2.43 O ATOM 341 CB LEU A 20 24.184 12.247 -6.274 1.00 43.23 C ATOM 342 CG LEU A 20 23.181 11.398 -5.492 1.00 41.45 C ATOM 343 CD1 LEU A 20 23.471 11.468 -4.001 1.00 52.22 C ATOM 344 CD2 LEU A 20 21.758 11.852 -5.783 1.00 71.01 C ATOM 0 H LEU A 20 23.370 10.891 -8.241 1.00 24.01 H new ATOM 0 HA LEU A 20 25.903 12.153 -7.561 1.00 44.13 H new ATOM 0 HB2 LEU A 20 24.802 12.793 -5.561 1.00 43.23 H new ATOM 0 HB3 LEU A 20 23.631 12.989 -6.850 1.00 43.23 H new ATOM 0 HG LEU A 20 23.283 10.361 -5.812 1.00 41.45 H new ATOM 0 HD11 LEU A 20 22.747 10.858 -3.461 1.00 52.22 H new ATOM 0 HD12 LEU A 20 24.477 11.094 -3.808 1.00 52.22 H new ATOM 0 HD13 LEU A 20 23.397 12.502 -3.664 1.00 52.22 H new ATOM 0 HD21 LEU A 20 21.057 11.237 -5.218 1.00 71.01 H new ATOM 0 HD22 LEU A 20 21.642 12.896 -5.491 1.00 71.01 H new ATOM 0 HD23 LEU A 20 21.554 11.749 -6.849 1.00 71.01 H new ATOM 356 N THR A 21 25.348 9.095 -6.904 1.00 0.21 N ATOM 357 CA THR A 21 25.877 7.881 -6.296 1.00 34.13 C ATOM 358 C THR A 21 26.776 7.125 -7.268 1.00 14.52 C ATOM 359 O THR A 21 27.687 6.407 -6.856 1.00 13.14 O ATOM 360 CB THR A 21 24.744 6.947 -5.830 1.00 72.32 C ATOM 361 OG1 THR A 21 23.939 7.606 -4.846 1.00 74.43 O ATOM 362 CG2 THR A 21 25.308 5.658 -5.251 1.00 4.41 C ATOM 0 H THR A 21 24.666 8.933 -7.645 1.00 0.21 H new ATOM 0 HA THR A 21 26.463 8.191 -5.430 1.00 34.13 H new ATOM 0 HB THR A 21 24.129 6.699 -6.695 1.00 72.32 H new ATOM 0 HG1 THR A 21 23.041 7.760 -5.208 1.00 74.43 H new ATOM 0 HG21 THR A 21 24.489 5.015 -4.929 1.00 4.41 H new ATOM 0 HG22 THR A 21 25.896 5.144 -6.012 1.00 4.41 H new ATOM 0 HG23 THR A 21 25.944 5.890 -4.397 1.00 4.41 H new ATOM 370 N TYR A 22 26.515 7.293 -8.559 1.00 75.34 N ATOM 371 CA TYR A 22 27.300 6.625 -9.591 1.00 33.34 C ATOM 372 C TYR A 22 28.776 6.991 -9.474 1.00 41.01 C ATOM 373 O TYR A 22 29.644 6.119 -9.475 1.00 45.30 O ATOM 374 CB TYR A 22 26.778 6.997 -10.980 1.00 4.35 C ATOM 375 CG TYR A 22 26.818 5.854 -11.968 1.00 32.21 C ATOM 376 CD1 TYR A 22 26.248 4.624 -11.660 1.00 42.25 C ATOM 377 CD2 TYR A 22 27.425 6.002 -13.209 1.00 3.35 C ATOM 378 CE1 TYR A 22 26.282 3.576 -12.560 1.00 44.20 C ATOM 379 CE2 TYR A 22 27.463 4.960 -14.115 1.00 11.42 C ATOM 380 CZ TYR A 22 26.890 3.749 -13.786 1.00 3.41 C ATOM 381 OH TYR A 22 26.927 2.709 -14.685 1.00 71.44 O ATOM 0 H TYR A 22 25.766 7.886 -8.916 1.00 75.34 H new ATOM 0 HA TYR A 22 27.199 5.549 -9.450 1.00 33.34 H new ATOM 0 HB2 TYR A 22 25.752 7.352 -10.890 1.00 4.35 H new ATOM 0 HB3 TYR A 22 27.369 7.825 -11.371 1.00 4.35 H new ATOM 0 HD1 TYR A 22 25.771 4.485 -10.701 1.00 42.25 H new ATOM 0 HD2 TYR A 22 27.875 6.948 -13.470 1.00 3.35 H new ATOM 0 HE1 TYR A 22 25.835 2.627 -12.305 1.00 44.20 H new ATOM 0 HE2 TYR A 22 27.939 5.093 -15.076 1.00 11.42 H new ATOM 0 HH TYR A 22 27.390 2.997 -15.499 1.00 71.44 H new ATOM 391 N GLU A 23 29.051 8.288 -9.373 1.00 62.32 N ATOM 392 CA GLU A 23 30.422 8.770 -9.256 1.00 2.20 C ATOM 393 C GLU A 23 31.159 8.047 -8.132 1.00 63.15 C ATOM 394 O GLU A 23 30.771 8.129 -6.967 1.00 21.43 O ATOM 395 CB GLU A 23 30.436 10.279 -9.001 1.00 75.10 C ATOM 396 CG GLU A 23 31.795 10.814 -8.584 1.00 21.33 C ATOM 397 CD GLU A 23 31.926 12.308 -8.802 1.00 43.44 C ATOM 398 OE1 GLU A 23 32.197 12.718 -9.951 1.00 24.32 O ATOM 399 OE2 GLU A 23 31.758 13.069 -7.826 1.00 63.51 O ATOM 0 H GLU A 23 28.343 9.023 -9.370 1.00 62.32 H new ATOM 0 HA GLU A 23 30.934 8.563 -10.196 1.00 2.20 H new ATOM 0 HB2 GLU A 23 30.114 10.795 -9.906 1.00 75.10 H new ATOM 0 HB3 GLU A 23 29.709 10.514 -8.224 1.00 75.10 H new ATOM 0 HG2 GLU A 23 31.962 10.588 -7.531 1.00 21.33 H new ATOM 0 HG3 GLU A 23 32.573 10.299 -9.148 1.00 21.33 H new ATOM 406 N HIS A 24 32.225 7.338 -8.492 1.00 10.30 N ATOM 407 CA HIS A 24 33.017 6.600 -7.515 1.00 23.01 C ATOM 408 C HIS A 24 34.214 5.928 -8.182 1.00 11.22 C ATOM 409 O HIS A 24 35.318 5.919 -7.637 1.00 22.34 O ATOM 410 CB HIS A 24 32.153 5.551 -6.815 1.00 25.44 C ATOM 411 CG HIS A 24 32.116 5.703 -5.325 1.00 72.01 C ATOM 412 ND1 HIS A 24 30.972 5.514 -4.578 1.00 25.21 N ATOM 413 CD2 HIS A 24 33.090 6.027 -4.443 1.00 65.24 C ATOM 414 CE1 HIS A 24 31.245 5.716 -3.301 1.00 50.42 C ATOM 415 NE2 HIS A 24 32.524 6.029 -3.193 1.00 32.45 N ATOM 0 H HIS A 24 32.560 7.259 -9.452 1.00 10.30 H new ATOM 0 HA HIS A 24 33.387 7.308 -6.774 1.00 23.01 H new ATOM 0 HB2 HIS A 24 31.136 5.611 -7.204 1.00 25.44 H new ATOM 0 HB3 HIS A 24 32.530 4.558 -7.062 1.00 25.44 H new ATOM 0 HD2 HIS A 24 34.121 6.244 -4.679 1.00 65.24 H new ATOM 0 HE1 HIS A 24 30.542 5.638 -2.485 1.00 50.42 H new ATOM 0 HE2 HIS A 24 33.012 6.238 -2.322 1.00 32.45 H new ATOM 423 N THR A 25 33.987 5.366 -9.365 1.00 24.20 N ATOM 424 CA THR A 25 35.046 4.690 -10.105 1.00 54.32 C ATOM 425 C THR A 25 34.961 5.004 -11.595 1.00 22.14 C ATOM 426 O THR A 25 35.970 5.303 -12.233 1.00 54.23 O ATOM 427 CB THR A 25 34.982 3.164 -9.909 1.00 72.22 C ATOM 428 OG1 THR A 25 33.622 2.719 -9.965 1.00 13.14 O ATOM 429 CG2 THR A 25 35.598 2.763 -8.577 1.00 71.14 C ATOM 0 H THR A 25 33.080 5.365 -9.831 1.00 24.20 H new ATOM 0 HA THR A 25 35.993 5.060 -9.712 1.00 54.32 H new ATOM 0 HB THR A 25 35.551 2.693 -10.711 1.00 72.22 H new ATOM 0 HG1 THR A 25 33.590 1.747 -9.841 1.00 13.14 H new ATOM 0 HG21 THR A 25 35.541 1.681 -8.461 1.00 71.14 H new ATOM 0 HG22 THR A 25 36.642 3.077 -8.550 1.00 71.14 H new ATOM 0 HG23 THR A 25 35.053 3.244 -7.765 1.00 71.14 H new ATOM 437 N MET A 26 33.752 4.934 -12.142 1.00 1.03 N ATOM 438 CA MET A 26 33.537 5.213 -13.557 1.00 31.11 C ATOM 439 C MET A 26 33.458 6.715 -13.809 1.00 45.21 C ATOM 440 O MET A 26 34.296 7.281 -14.513 1.00 52.32 O ATOM 441 CB MET A 26 32.255 4.535 -14.043 1.00 35.30 C ATOM 442 CG MET A 26 32.004 4.706 -15.532 1.00 73.34 C ATOM 443 SD MET A 26 30.565 5.735 -15.881 1.00 1.32 S ATOM 444 CE MET A 26 29.908 4.918 -17.333 1.00 13.41 C ATOM 0 H MET A 26 32.907 4.687 -11.627 1.00 1.03 H new ATOM 0 HA MET A 26 34.385 4.813 -14.113 1.00 31.11 H new ATOM 0 HB2 MET A 26 32.306 3.471 -13.811 1.00 35.30 H new ATOM 0 HB3 MET A 26 31.407 4.941 -13.491 1.00 35.30 H new ATOM 0 HG2 MET A 26 32.885 5.150 -15.996 1.00 73.34 H new ATOM 0 HG3 MET A 26 31.864 3.726 -15.988 1.00 73.34 H new ATOM 0 HE1 MET A 26 29.012 5.440 -17.670 1.00 13.41 H new ATOM 0 HE2 MET A 26 30.655 4.930 -18.127 1.00 13.41 H new ATOM 0 HE3 MET A 26 29.656 3.886 -17.087 1.00 13.41 H new ATOM 454 N LEU A 27 32.448 7.356 -13.231 1.00 25.31 N ATOM 455 CA LEU A 27 32.261 8.793 -13.393 1.00 53.24 C ATOM 456 C LEU A 27 33.306 9.572 -12.601 1.00 71.10 C ATOM 457 O LEU A 27 33.641 10.705 -12.945 1.00 64.21 O ATOM 458 CB LEU A 27 30.856 9.198 -12.942 1.00 43.23 C ATOM 459 CG LEU A 27 30.146 10.238 -13.810 1.00 62.33 C ATOM 460 CD1 LEU A 27 28.646 9.988 -13.823 1.00 22.21 C ATOM 461 CD2 LEU A 27 30.450 11.644 -13.315 1.00 24.14 C ATOM 0 H LEU A 27 31.746 6.903 -12.646 1.00 25.31 H new ATOM 0 HA LEU A 27 32.381 9.033 -14.450 1.00 53.24 H new ATOM 0 HB2 LEU A 27 30.236 8.302 -12.903 1.00 43.23 H new ATOM 0 HB3 LEU A 27 30.920 9.585 -11.925 1.00 43.23 H new ATOM 0 HG LEU A 27 30.518 10.146 -14.830 1.00 62.33 H new ATOM 0 HD11 LEU A 27 28.158 10.738 -14.446 1.00 22.21 H new ATOM 0 HD12 LEU A 27 28.446 8.995 -14.226 1.00 22.21 H new ATOM 0 HD13 LEU A 27 28.258 10.052 -12.806 1.00 22.21 H new ATOM 0 HD21 LEU A 27 29.936 12.370 -13.945 1.00 24.14 H new ATOM 0 HD22 LEU A 27 30.107 11.749 -12.286 1.00 24.14 H new ATOM 0 HD23 LEU A 27 31.525 11.821 -13.359 1.00 24.14 H new ATOM 473 N GLN A 28 33.818 8.955 -11.541 1.00 14.24 N ATOM 474 CA GLN A 28 34.826 9.591 -10.701 1.00 20.32 C ATOM 475 C GLN A 28 35.995 10.094 -11.541 1.00 25.34 C ATOM 476 O GLN A 28 36.164 11.298 -11.731 1.00 43.31 O ATOM 477 CB GLN A 28 35.329 8.610 -9.640 1.00 60.45 C ATOM 478 CG GLN A 28 36.396 9.193 -8.729 1.00 1.53 C ATOM 479 CD GLN A 28 35.880 10.346 -7.889 1.00 70.44 C ATOM 480 OE1 GLN A 28 35.132 10.145 -6.932 1.00 53.13 O ATOM 481 NE2 GLN A 28 36.278 11.562 -8.244 1.00 70.32 N ATOM 0 H GLN A 28 33.552 8.016 -11.244 1.00 14.24 H new ATOM 0 HA GLN A 28 34.364 10.445 -10.206 1.00 20.32 H new ATOM 0 HB2 GLN A 28 34.486 8.280 -9.033 1.00 60.45 H new ATOM 0 HB3 GLN A 28 35.730 7.726 -10.136 1.00 60.45 H new ATOM 0 HG2 GLN A 28 36.774 8.410 -8.072 1.00 1.53 H new ATOM 0 HG3 GLN A 28 37.236 9.536 -9.333 1.00 1.53 H new ATOM 0 HE21 GLN A 28 36.899 11.682 -9.045 1.00 70.32 H new ATOM 0 HE22 GLN A 28 35.963 12.376 -7.716 1.00 70.32 H new ATOM 490 N LYS A 29 36.802 9.163 -12.041 1.00 14.42 N ATOM 491 CA LYS A 29 37.956 9.511 -12.861 1.00 54.14 C ATOM 492 C LYS A 29 37.702 9.174 -14.327 1.00 63.33 C ATOM 493 O LYS A 29 38.631 8.860 -15.072 1.00 73.34 O ATOM 494 CB LYS A 29 39.201 8.773 -12.365 1.00 41.21 C ATOM 495 CG LYS A 29 39.690 9.249 -11.008 1.00 52.41 C ATOM 496 CD LYS A 29 41.204 9.372 -10.972 1.00 71.13 C ATOM 497 CE LYS A 29 41.877 8.022 -11.164 1.00 61.51 C ATOM 498 NZ LYS A 29 43.317 8.061 -10.785 1.00 34.40 N ATOM 0 H LYS A 29 36.677 8.162 -11.892 1.00 14.42 H new ATOM 0 HA LYS A 29 38.121 10.585 -12.776 1.00 54.14 H new ATOM 0 HB2 LYS A 29 38.983 7.706 -12.310 1.00 41.21 H new ATOM 0 HB3 LYS A 29 40.001 8.897 -13.094 1.00 41.21 H new ATOM 0 HG2 LYS A 29 39.240 10.214 -10.776 1.00 52.41 H new ATOM 0 HG3 LYS A 29 39.362 8.552 -10.237 1.00 52.41 H new ATOM 0 HD2 LYS A 29 41.533 10.058 -11.752 1.00 71.13 H new ATOM 0 HD3 LYS A 29 41.513 9.801 -10.019 1.00 71.13 H new ATOM 0 HE2 LYS A 29 41.364 7.272 -10.563 1.00 61.51 H new ATOM 0 HE3 LYS A 29 41.784 7.715 -12.206 1.00 61.51 H new ATOM 0 HZ1 LYS A 29 43.740 7.122 -10.930 1.00 34.40 H new ATOM 0 HZ2 LYS A 29 43.813 8.759 -11.376 1.00 34.40 H new ATOM 0 HZ3 LYS A 29 43.405 8.329 -9.784 1.00 34.40 H new ATOM 512 N LYS A 30 36.440 9.242 -14.736 1.00 33.23 N ATOM 513 CA LYS A 30 36.064 8.947 -16.113 1.00 73.41 C ATOM 514 C LYS A 30 36.605 7.588 -16.546 1.00 30.44 C ATOM 515 O LYS A 30 37.002 7.404 -17.697 1.00 14.33 O ATOM 516 CB LYS A 30 36.586 10.037 -17.051 1.00 52.30 C ATOM 517 CG LYS A 30 36.212 11.444 -16.616 1.00 20.31 C ATOM 518 CD LYS A 30 34.707 11.603 -16.478 1.00 3.30 C ATOM 519 CE LYS A 30 34.257 13.002 -16.870 1.00 11.43 C ATOM 520 NZ LYS A 30 32.947 12.985 -17.578 1.00 11.54 N ATOM 0 H LYS A 30 35.659 9.499 -14.132 1.00 33.23 H new ATOM 0 HA LYS A 30 34.976 8.920 -16.167 1.00 73.41 H new ATOM 0 HB2 LYS A 30 37.672 9.962 -17.114 1.00 52.30 H new ATOM 0 HB3 LYS A 30 36.196 9.860 -18.053 1.00 52.30 H new ATOM 0 HG2 LYS A 30 36.692 11.671 -15.664 1.00 20.31 H new ATOM 0 HG3 LYS A 30 36.590 12.163 -17.343 1.00 20.31 H new ATOM 0 HD2 LYS A 30 34.203 10.868 -17.106 1.00 3.30 H new ATOM 0 HD3 LYS A 30 34.411 11.399 -15.449 1.00 3.30 H new ATOM 0 HE2 LYS A 30 34.179 13.622 -15.977 1.00 11.43 H new ATOM 0 HE3 LYS A 30 35.010 13.460 -17.511 1.00 11.43 H new ATOM 0 HZ1 LYS A 30 32.675 13.957 -17.828 1.00 11.54 H new ATOM 0 HZ2 LYS A 30 33.028 12.414 -18.444 1.00 11.54 H new ATOM 0 HZ3 LYS A 30 32.222 12.572 -16.957 1.00 11.54 H new TER 534 LYS A 30