USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 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+ 169:sc=-0.00134 (180deg=-0.145) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc=-0.00995 (180deg=-0.0575) 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 -53:sc= 0.31 USER MOD Single : A 19 GLN : amide:sc= -2.4 K(o=-2.4,f=-3.4) USER MOD Single : A 21 THR OG1 : rot -96:sc= 1.32 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.1 K(o=-1.1,f=0.081) USER MOD Single : A 25 THR OG1 : rot 144:sc= 0.283 USER MOD Single : A 26 MET CE :methyl 174:sc= 0 (180deg=-0.0103) USER MOD Single : A 28 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.39) 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 -0.849 -0.308 -1.178 1.00 24.03 N ATOM 2 CA LYS A 1 -1.368 -0.235 -2.538 1.00 44.43 C ATOM 3 C LYS A 1 -1.299 1.193 -3.071 1.00 3.13 C ATOM 4 O LYS A 1 -2.199 1.648 -3.777 1.00 63.43 O ATOM 5 CB LYS A 1 -2.812 -0.738 -2.583 1.00 12.31 C ATOM 6 CG LYS A 1 -3.157 -1.483 -3.860 1.00 74.43 C ATOM 7 CD LYS A 1 -4.575 -2.028 -3.822 1.00 73.31 C ATOM 8 CE LYS A 1 -5.524 -1.172 -4.647 1.00 0.02 C ATOM 9 NZ LYS A 1 -6.606 -1.984 -5.268 1.00 74.42 N ATOM 0 H1 LYS A 1 -1.074 -1.238 -0.770 1.00 24.03 H new ATOM 0 H2 LYS A 1 0.183 -0.177 -1.193 1.00 24.03 H new ATOM 0 H3 LYS A 1 -1.285 0.439 -0.600 1.00 24.03 H new ATOM 0 HA LYS A 1 -0.749 -0.871 -3.171 1.00 44.43 H new ATOM 0 HB2 LYS A 1 -2.986 -1.395 -1.731 1.00 12.31 H new ATOM 0 HB3 LYS A 1 -3.487 0.111 -2.474 1.00 12.31 H new ATOM 0 HG2 LYS A 1 -3.046 -0.814 -4.714 1.00 74.43 H new ATOM 0 HG3 LYS A 1 -2.455 -2.304 -4.005 1.00 74.43 H new ATOM 0 HD2 LYS A 1 -4.583 -3.050 -4.200 1.00 73.31 H new ATOM 0 HD3 LYS A 1 -4.923 -2.067 -2.790 1.00 73.31 H new ATOM 0 HE2 LYS A 1 -5.965 -0.404 -4.012 1.00 0.02 H new ATOM 0 HE3 LYS A 1 -4.963 -0.657 -5.427 1.00 0.02 H new ATOM 0 HZ1 LYS A 1 -7.231 -1.364 -5.822 1.00 74.42 H new ATOM 0 HZ2 LYS A 1 -6.186 -2.701 -5.894 1.00 74.42 H new ATOM 0 HZ3 LYS A 1 -7.157 -2.455 -4.523 1.00 74.42 H new ATOM 23 N LYS A 2 -0.224 1.896 -2.728 1.00 55.23 N ATOM 24 CA LYS A 2 -0.036 3.272 -3.174 1.00 22.34 C ATOM 25 C LYS A 2 1.357 3.466 -3.764 1.00 2.20 C ATOM 26 O LYS A 2 2.110 2.507 -3.931 1.00 24.25 O ATOM 27 CB LYS A 2 -0.247 4.240 -2.008 1.00 10.42 C ATOM 28 CG LYS A 2 -1.472 5.124 -2.166 1.00 34.14 C ATOM 29 CD LYS A 2 -1.385 5.981 -3.417 1.00 63.34 C ATOM 30 CE LYS A 2 -2.549 6.955 -3.509 1.00 34.31 C ATOM 31 NZ LYS A 2 -3.519 6.562 -4.569 1.00 31.45 N ATOM 0 H LYS A 2 0.530 1.536 -2.143 1.00 55.23 H new ATOM 0 HA LYS A 2 -0.773 3.481 -3.950 1.00 22.34 H new ATOM 0 HB2 LYS A 2 -0.338 3.669 -1.084 1.00 10.42 H new ATOM 0 HB3 LYS A 2 0.636 4.871 -1.906 1.00 10.42 H new ATOM 0 HG2 LYS A 2 -2.366 4.503 -2.211 1.00 34.14 H new ATOM 0 HG3 LYS A 2 -1.574 5.766 -1.291 1.00 34.14 H new ATOM 0 HD2 LYS A 2 -0.446 6.534 -3.415 1.00 63.34 H new ATOM 0 HD3 LYS A 2 -1.376 5.340 -4.298 1.00 63.34 H new ATOM 0 HE2 LYS A 2 -3.061 7.001 -2.548 1.00 34.31 H new ATOM 0 HE3 LYS A 2 -2.170 7.956 -3.717 1.00 34.31 H new ATOM 0 HZ1 LYS A 2 -4.261 7.286 -4.646 1.00 31.45 H new ATOM 0 HZ2 LYS A 2 -3.023 6.476 -5.479 1.00 31.45 H new ATOM 0 HZ3 LYS A 2 -3.951 5.649 -4.323 1.00 31.45 H new ATOM 45 N ARG A 3 1.693 4.713 -4.077 1.00 43.31 N ATOM 46 CA ARG A 3 2.996 5.033 -4.648 1.00 70.14 C ATOM 47 C ARG A 3 3.160 4.389 -6.022 1.00 21.31 C ATOM 48 O ARG A 3 4.276 4.250 -6.524 1.00 75.53 O ATOM 49 CB ARG A 3 4.114 4.564 -3.716 1.00 65.33 C ATOM 50 CG ARG A 3 5.217 5.592 -3.523 1.00 23.43 C ATOM 51 CD ARG A 3 5.856 5.472 -2.148 1.00 34.53 C ATOM 52 NE ARG A 3 7.109 6.216 -2.059 1.00 52.11 N ATOM 53 CZ ARG A 3 7.727 6.480 -0.914 1.00 4.14 C ATOM 54 NH1 ARG A 3 7.212 6.062 0.234 1.00 74.21 N ATOM 55 NH2 ARG A 3 8.865 7.164 -0.915 1.00 32.55 N ATOM 0 H ARG A 3 1.081 5.518 -3.945 1.00 43.31 H new ATOM 0 HA ARG A 3 3.059 6.115 -4.763 1.00 70.14 H new ATOM 0 HB2 ARG A 3 3.686 4.316 -2.745 1.00 65.33 H new ATOM 0 HB3 ARG A 3 4.549 3.648 -4.116 1.00 65.33 H new ATOM 0 HG2 ARG A 3 5.978 5.459 -4.292 1.00 23.43 H new ATOM 0 HG3 ARG A 3 4.808 6.594 -3.649 1.00 23.43 H new ATOM 0 HD2 ARG A 3 5.162 5.840 -1.393 1.00 34.53 H new ATOM 0 HD3 ARG A 3 6.042 4.421 -1.925 1.00 34.53 H new ATOM 0 HE ARG A 3 7.533 6.551 -2.924 1.00 52.11 H new ATOM 0 HH11 ARG A 3 6.338 5.536 0.239 1.00 74.21 H new ATOM 0 HH12 ARG A 3 7.690 6.267 1.112 1.00 74.21 H new ATOM 0 HH21 ARG A 3 9.265 7.487 -1.796 1.00 32.55 H new ATOM 0 HH22 ARG A 3 9.339 7.366 -0.035 1.00 32.55 H new ATOM 69 N TYR A 4 2.042 3.997 -6.623 1.00 42.22 N ATOM 70 CA TYR A 4 2.062 3.365 -7.937 1.00 21.01 C ATOM 71 C TYR A 4 0.713 3.515 -8.634 1.00 63.20 C ATOM 72 O TYR A 4 0.367 2.731 -9.518 1.00 23.54 O ATOM 73 CB TYR A 4 2.420 1.883 -7.808 1.00 2.53 C ATOM 74 CG TYR A 4 3.433 1.414 -8.828 1.00 14.11 C ATOM 75 CD1 TYR A 4 4.702 1.976 -8.886 1.00 11.11 C ATOM 76 CD2 TYR A 4 3.120 0.408 -9.733 1.00 71.54 C ATOM 77 CE1 TYR A 4 5.630 1.551 -9.817 1.00 35.32 C ATOM 78 CE2 TYR A 4 4.042 -0.025 -10.667 1.00 31.21 C ATOM 79 CZ TYR A 4 5.295 0.550 -10.705 1.00 30.21 C ATOM 80 OH TYR A 4 6.217 0.122 -11.633 1.00 12.31 O ATOM 0 H TYR A 4 1.111 4.106 -6.221 1.00 42.22 H new ATOM 0 HA TYR A 4 2.820 3.864 -8.541 1.00 21.01 H new ATOM 0 HB2 TYR A 4 2.812 1.698 -6.808 1.00 2.53 H new ATOM 0 HB3 TYR A 4 1.512 1.288 -7.910 1.00 2.53 H new ATOM 0 HD1 TYR A 4 4.968 2.759 -8.191 1.00 11.11 H new ATOM 0 HD2 TYR A 4 2.139 -0.044 -9.706 1.00 71.54 H new ATOM 0 HE1 TYR A 4 6.612 2.000 -9.849 1.00 35.32 H new ATOM 0 HE2 TYR A 4 3.783 -0.809 -11.363 1.00 31.21 H new ATOM 0 HH TYR A 4 5.824 -0.589 -12.181 1.00 12.31 H new ATOM 90 N VAL A 5 -0.045 4.529 -8.230 1.00 2.20 N ATOM 91 CA VAL A 5 -1.355 4.785 -8.816 1.00 33.13 C ATOM 92 C VAL A 5 -1.633 6.281 -8.910 1.00 2.03 C ATOM 93 O VAL A 5 -2.159 6.763 -9.912 1.00 53.20 O ATOM 94 CB VAL A 5 -2.476 4.117 -7.997 1.00 60.54 C ATOM 95 CG1 VAL A 5 -3.831 4.369 -8.641 1.00 63.23 C ATOM 96 CG2 VAL A 5 -2.214 2.625 -7.855 1.00 22.14 C ATOM 0 H VAL A 5 0.226 5.187 -7.499 1.00 2.20 H new ATOM 0 HA VAL A 5 -1.342 4.357 -9.818 1.00 33.13 H new ATOM 0 HB VAL A 5 -2.487 4.558 -7.000 1.00 60.54 H new ATOM 0 HG11 VAL A 5 -4.610 3.890 -8.049 1.00 63.23 H new ATOM 0 HG12 VAL A 5 -4.018 5.442 -8.687 1.00 63.23 H new ATOM 0 HG13 VAL A 5 -3.837 3.956 -9.650 1.00 63.23 H new ATOM 0 HG21 VAL A 5 -3.015 2.169 -7.274 1.00 22.14 H new ATOM 0 HG22 VAL A 5 -2.176 2.167 -8.843 1.00 22.14 H new ATOM 0 HG23 VAL A 5 -1.263 2.469 -7.346 1.00 22.14 H new ATOM 106 N ALA A 6 -1.274 7.011 -7.859 1.00 32.14 N ATOM 107 CA ALA A 6 -1.482 8.453 -7.823 1.00 51.23 C ATOM 108 C ALA A 6 -0.155 9.201 -7.898 1.00 12.13 C ATOM 109 O ALA A 6 -0.060 10.357 -7.486 1.00 41.05 O ATOM 110 CB ALA A 6 -2.242 8.846 -6.565 1.00 40.31 C ATOM 0 H ALA A 6 -0.838 6.627 -7.021 1.00 32.14 H new ATOM 0 HA ALA A 6 -2.076 8.731 -8.694 1.00 51.23 H new ATOM 0 HB1 ALA A 6 -2.390 9.926 -6.552 1.00 40.31 H new ATOM 0 HB2 ALA A 6 -3.211 8.347 -6.554 1.00 40.31 H new ATOM 0 HB3 ALA A 6 -1.670 8.547 -5.686 1.00 40.31 H new ATOM 116 N MET A 7 0.866 8.533 -8.424 1.00 3.50 N ATOM 117 CA MET A 7 2.188 9.136 -8.552 1.00 50.42 C ATOM 118 C MET A 7 2.938 8.554 -9.746 1.00 53.12 C ATOM 119 O MET A 7 4.163 8.646 -9.827 1.00 73.44 O ATOM 120 CB MET A 7 2.997 8.920 -7.272 1.00 62.30 C ATOM 121 CG MET A 7 2.881 10.064 -6.279 1.00 0.44 C ATOM 122 SD MET A 7 3.788 11.532 -6.801 1.00 41.43 S ATOM 123 CE MET A 7 2.840 12.821 -5.996 1.00 73.02 C ATOM 0 H MET A 7 0.804 7.575 -8.768 1.00 3.50 H new ATOM 0 HA MET A 7 2.057 10.206 -8.714 1.00 50.42 H new ATOM 0 HB2 MET A 7 2.665 7.999 -6.793 1.00 62.30 H new ATOM 0 HB3 MET A 7 4.046 8.782 -7.534 1.00 62.30 H new ATOM 0 HG2 MET A 7 1.830 10.319 -6.146 1.00 0.44 H new ATOM 0 HG3 MET A 7 3.255 9.737 -5.309 1.00 0.44 H new ATOM 0 HE1 MET A 7 3.279 13.792 -6.225 1.00 73.02 H new ATOM 0 HE2 MET A 7 1.811 12.794 -6.355 1.00 73.02 H new ATOM 0 HE3 MET A 7 2.852 12.662 -4.918 1.00 73.02 H new ATOM 133 N VAL A 8 2.194 7.955 -10.671 1.00 64.21 N ATOM 134 CA VAL A 8 2.789 7.358 -11.861 1.00 40.21 C ATOM 135 C VAL A 8 2.161 7.921 -13.131 1.00 14.42 C ATOM 136 O VAL A 8 2.839 8.107 -14.141 1.00 40.34 O ATOM 137 CB VAL A 8 2.631 5.826 -11.859 1.00 44.05 C ATOM 138 CG1 VAL A 8 1.161 5.440 -11.803 1.00 1.41 C ATOM 139 CG2 VAL A 8 3.303 5.220 -13.083 1.00 2.44 C ATOM 0 H VAL A 8 1.179 7.870 -10.619 1.00 64.21 H new ATOM 0 HA VAL A 8 3.850 7.607 -11.843 1.00 40.21 H new ATOM 0 HB VAL A 8 3.120 5.429 -10.969 1.00 44.05 H new ATOM 0 HG11 VAL A 8 1.070 4.354 -11.802 1.00 1.41 H new ATOM 0 HG12 VAL A 8 0.714 5.842 -10.894 1.00 1.41 H new ATOM 0 HG13 VAL A 8 0.645 5.847 -12.672 1.00 1.41 H new ATOM 0 HG21 VAL A 8 3.182 4.137 -13.066 1.00 2.44 H new ATOM 0 HG22 VAL A 8 2.844 5.622 -13.986 1.00 2.44 H new ATOM 0 HG23 VAL A 8 4.365 5.466 -13.075 1.00 2.44 H new ATOM 149 N ILE A 9 0.861 8.192 -13.071 1.00 70.54 N ATOM 150 CA ILE A 9 0.141 8.735 -14.216 1.00 42.43 C ATOM 151 C ILE A 9 0.024 10.253 -14.122 1.00 30.24 C ATOM 152 O ILE A 9 -0.118 10.939 -15.134 1.00 34.31 O ATOM 153 CB ILE A 9 -1.270 8.129 -14.334 1.00 3.20 C ATOM 154 CG1 ILE A 9 -1.197 6.601 -14.291 1.00 13.40 C ATOM 155 CG2 ILE A 9 -1.942 8.597 -15.616 1.00 40.10 C ATOM 156 CD1 ILE A 9 -0.325 6.007 -15.374 1.00 43.13 C ATOM 0 H ILE A 9 0.286 8.044 -12.242 1.00 70.54 H new ATOM 0 HA ILE A 9 0.716 8.471 -15.104 1.00 42.43 H new ATOM 0 HB ILE A 9 -1.868 8.470 -13.489 1.00 3.20 H new ATOM 0 HG12 ILE A 9 -0.816 6.291 -13.318 1.00 13.40 H new ATOM 0 HG13 ILE A 9 -2.204 6.195 -14.383 1.00 13.40 H new ATOM 0 HG21 ILE A 9 -2.938 8.160 -15.685 1.00 40.10 H new ATOM 0 HG22 ILE A 9 -2.022 9.684 -15.609 1.00 40.10 H new ATOM 0 HG23 ILE A 9 -1.348 8.283 -16.474 1.00 40.10 H new ATOM 0 HD11 ILE A 9 -0.320 4.921 -15.282 1.00 43.13 H new ATOM 0 HD12 ILE A 9 -0.718 6.287 -16.352 1.00 43.13 H new ATOM 0 HD13 ILE A 9 0.692 6.385 -15.270 1.00 43.13 H new ATOM 168 N TRP A 10 0.087 10.770 -12.900 1.00 55.21 N ATOM 169 CA TRP A 10 -0.011 12.208 -12.673 1.00 62.33 C ATOM 170 C TRP A 10 1.124 12.947 -13.374 1.00 13.33 C ATOM 171 O TRP A 10 0.995 14.125 -13.712 1.00 31.20 O ATOM 172 CB TRP A 10 0.015 12.511 -11.174 1.00 51.13 C ATOM 173 CG TRP A 10 -1.350 12.674 -10.578 1.00 34.53 C ATOM 174 CD1 TRP A 10 -1.859 13.796 -9.989 1.00 75.14 C ATOM 175 CD2 TRP A 10 -2.380 11.681 -10.510 1.00 24.51 C ATOM 176 NE1 TRP A 10 -3.143 13.560 -9.560 1.00 13.50 N ATOM 177 CE2 TRP A 10 -3.486 12.271 -9.868 1.00 71.41 C ATOM 178 CE3 TRP A 10 -2.475 10.351 -10.931 1.00 11.45 C ATOM 179 CZ2 TRP A 10 -4.670 11.575 -9.637 1.00 52.54 C ATOM 180 CZ3 TRP A 10 -3.651 9.663 -10.701 1.00 22.25 C ATOM 181 CH2 TRP A 10 -4.736 10.276 -10.060 1.00 21.53 C ATOM 0 H TRP A 10 0.205 10.216 -12.052 1.00 55.21 H new ATOM 0 HA TRP A 10 -0.957 12.554 -13.090 1.00 62.33 H new ATOM 0 HB2 TRP A 10 0.536 11.705 -10.657 1.00 51.13 H new ATOM 0 HB3 TRP A 10 0.589 13.422 -11.005 1.00 51.13 H new ATOM 0 HD1 TRP A 10 -1.330 14.731 -9.877 1.00 75.14 H new ATOM 0 HE1 TRP A 10 -3.744 14.236 -9.088 1.00 13.50 H new ATOM 0 HE3 TRP A 10 -1.645 9.870 -11.427 1.00 11.45 H new ATOM 0 HZ2 TRP A 10 -5.507 12.045 -9.141 1.00 52.54 H new ATOM 0 HZ3 TRP A 10 -3.735 8.635 -11.021 1.00 22.25 H new ATOM 0 HH2 TRP A 10 -5.642 9.712 -9.897 1.00 21.53 H new ATOM 192 N LEU A 11 2.234 12.251 -13.589 1.00 61.21 N ATOM 193 CA LEU A 11 3.392 12.842 -14.250 1.00 41.24 C ATOM 194 C LEU A 11 3.522 12.331 -15.682 1.00 12.23 C ATOM 195 O LEU A 11 3.897 13.077 -16.586 1.00 51.35 O ATOM 196 CB LEU A 11 4.668 12.527 -13.467 1.00 14.31 C ATOM 197 CG LEU A 11 4.557 12.607 -11.944 1.00 35.41 C ATOM 198 CD1 LEU A 11 4.683 11.222 -11.327 1.00 3.53 C ATOM 199 CD2 LEU A 11 5.615 13.543 -11.380 1.00 2.01 C ATOM 0 H LEU A 11 2.357 11.276 -13.315 1.00 61.21 H new ATOM 0 HA LEU A 11 3.249 13.922 -14.280 1.00 41.24 H new ATOM 0 HB2 LEU A 11 4.997 11.523 -13.735 1.00 14.31 H new ATOM 0 HB3 LEU A 11 5.449 13.215 -13.791 1.00 14.31 H new ATOM 0 HG LEU A 11 3.575 13.008 -11.691 1.00 35.41 H new ATOM 0 HD11 LEU A 11 4.602 11.298 -10.243 1.00 3.53 H new ATOM 0 HD12 LEU A 11 3.887 10.581 -11.707 1.00 3.53 H new ATOM 0 HD13 LEU A 11 5.650 10.794 -11.589 1.00 3.53 H new ATOM 0 HD21 LEU A 11 5.520 13.587 -10.295 1.00 2.01 H new ATOM 0 HD22 LEU A 11 6.606 13.173 -11.643 1.00 2.01 H new ATOM 0 HD23 LEU A 11 5.478 14.541 -11.797 1.00 2.01 H new ATOM 211 N TYR A 12 3.207 11.056 -15.880 1.00 21.03 N ATOM 212 CA TYR A 12 3.289 10.445 -17.201 1.00 74.10 C ATOM 213 C TYR A 12 2.360 11.150 -18.185 1.00 60.43 C ATOM 214 O TYR A 12 2.578 11.114 -19.396 1.00 45.32 O ATOM 215 CB TYR A 12 2.933 8.959 -17.122 1.00 2.33 C ATOM 216 CG TYR A 12 4.137 8.055 -16.983 1.00 1.24 C ATOM 217 CD1 TYR A 12 5.077 8.267 -15.981 1.00 71.40 C ATOM 218 CD2 TYR A 12 4.336 6.991 -17.853 1.00 34.42 C ATOM 219 CE1 TYR A 12 6.179 7.444 -15.850 1.00 71.34 C ATOM 220 CE2 TYR A 12 5.434 6.162 -17.729 1.00 32.22 C ATOM 221 CZ TYR A 12 6.353 6.392 -16.726 1.00 54.53 C ATOM 222 OH TYR A 12 7.449 5.570 -16.600 1.00 74.02 O ATOM 0 H TYR A 12 2.893 10.426 -15.142 1.00 21.03 H new ATOM 0 HA TYR A 12 4.314 10.548 -17.558 1.00 74.10 H new ATOM 0 HB2 TYR A 12 2.268 8.798 -16.273 1.00 2.33 H new ATOM 0 HB3 TYR A 12 2.380 8.678 -18.018 1.00 2.33 H new ATOM 0 HD1 TYR A 12 4.944 9.089 -15.293 1.00 71.40 H new ATOM 0 HD2 TYR A 12 3.620 6.808 -18.640 1.00 34.42 H new ATOM 0 HE1 TYR A 12 6.900 7.623 -15.066 1.00 71.34 H new ATOM 0 HE2 TYR A 12 5.572 5.338 -18.414 1.00 32.22 H new ATOM 0 HH TYR A 12 7.421 4.879 -17.294 1.00 74.02 H new ATOM 232 N SER A 13 1.323 11.790 -17.655 1.00 51.14 N ATOM 233 CA SER A 13 0.358 12.501 -18.486 1.00 0.21 C ATOM 234 C SER A 13 0.344 13.989 -18.150 1.00 3.34 C ATOM 235 O SER A 13 -0.660 14.673 -18.349 1.00 64.40 O ATOM 236 CB SER A 13 -1.041 11.911 -18.298 1.00 50.31 C ATOM 237 OG SER A 13 -1.922 12.355 -19.316 1.00 32.35 O ATOM 0 H SER A 13 1.129 11.831 -16.654 1.00 51.14 H new ATOM 0 HA SER A 13 0.657 12.384 -19.528 1.00 0.21 H new ATOM 0 HB2 SER A 13 -0.985 10.823 -18.310 1.00 50.31 H new ATOM 0 HB3 SER A 13 -1.433 12.199 -17.322 1.00 50.31 H new ATOM 0 HG SER A 13 -1.903 13.334 -19.361 1.00 32.35 H new ATOM 243 N ALA A 14 1.466 14.484 -17.638 1.00 5.21 N ATOM 244 CA ALA A 14 1.585 15.891 -17.275 1.00 64.03 C ATOM 245 C ALA A 14 2.769 16.542 -17.983 1.00 53.22 C ATOM 246 O ALA A 14 2.706 17.708 -18.375 1.00 75.44 O ATOM 247 CB ALA A 14 1.724 16.037 -15.767 1.00 44.42 C ATOM 0 H ALA A 14 2.306 13.931 -17.465 1.00 5.21 H new ATOM 0 HA ALA A 14 0.677 16.402 -17.596 1.00 64.03 H new ATOM 0 HB1 ALA A 14 1.812 17.093 -15.510 1.00 44.42 H new ATOM 0 HB2 ALA A 14 0.845 15.617 -15.278 1.00 44.42 H new ATOM 0 HB3 ALA A 14 2.615 15.506 -15.431 1.00 44.42 H new ATOM 253 N PHE A 15 3.848 15.783 -18.143 1.00 75.11 N ATOM 254 CA PHE A 15 5.046 16.287 -18.803 1.00 4.25 C ATOM 255 C PHE A 15 4.996 16.017 -20.303 1.00 62.34 C ATOM 256 O PHE A 15 5.490 16.810 -21.105 1.00 13.22 O ATOM 257 CB PHE A 15 6.296 15.643 -18.198 1.00 72.03 C ATOM 258 CG PHE A 15 7.141 16.600 -17.408 1.00 43.30 C ATOM 259 CD1 PHE A 15 7.648 17.748 -17.998 1.00 35.53 C ATOM 260 CD2 PHE A 15 7.430 16.353 -16.076 1.00 14.55 C ATOM 261 CE1 PHE A 15 8.426 18.630 -17.273 1.00 25.41 C ATOM 262 CE2 PHE A 15 8.208 17.232 -15.345 1.00 53.25 C ATOM 263 CZ PHE A 15 8.706 18.372 -15.945 1.00 11.31 C ATOM 0 H PHE A 15 3.917 14.816 -17.824 1.00 75.11 H new ATOM 0 HA PHE A 15 5.089 17.365 -18.648 1.00 4.25 H new ATOM 0 HB2 PHE A 15 5.994 14.819 -17.552 1.00 72.03 H new ATOM 0 HB3 PHE A 15 6.898 15.215 -18.999 1.00 72.03 H new ATOM 0 HD1 PHE A 15 7.432 17.955 -19.036 1.00 35.53 H new ATOM 0 HD2 PHE A 15 7.043 15.463 -15.602 1.00 14.55 H new ATOM 0 HE1 PHE A 15 8.815 19.521 -17.744 1.00 25.41 H new ATOM 0 HE2 PHE A 15 8.426 17.028 -14.307 1.00 53.25 H new ATOM 0 HZ PHE A 15 9.313 19.061 -15.377 1.00 11.31 H new ATOM 273 N ARG A 16 4.397 14.890 -20.676 1.00 11.42 N ATOM 274 CA ARG A 16 4.283 14.513 -22.080 1.00 4.45 C ATOM 275 C ARG A 16 3.175 15.305 -22.767 1.00 73.11 C ATOM 276 O ARG A 16 3.240 15.571 -23.966 1.00 60.15 O ATOM 277 CB ARG A 16 4.008 13.014 -22.206 1.00 60.13 C ATOM 278 CG ARG A 16 3.663 12.575 -23.620 1.00 53.50 C ATOM 279 CD ARG A 16 4.825 12.805 -24.574 1.00 33.31 C ATOM 280 NE ARG A 16 5.092 11.632 -25.403 1.00 12.41 N ATOM 281 CZ ARG A 16 5.701 10.540 -24.956 1.00 72.31 C ATOM 282 NH1 ARG A 16 6.103 10.470 -23.695 1.00 22.23 N ATOM 283 NH2 ARG A 16 5.908 9.514 -25.772 1.00 31.34 N ATOM 0 H ARG A 16 3.983 14.222 -20.025 1.00 11.42 H new ATOM 0 HA ARG A 16 5.228 14.744 -22.571 1.00 4.45 H new ATOM 0 HB2 ARG A 16 4.885 12.463 -21.867 1.00 60.13 H new ATOM 0 HB3 ARG A 16 3.187 12.747 -21.541 1.00 60.13 H new ATOM 0 HG2 ARG A 16 3.395 11.518 -23.619 1.00 53.50 H new ATOM 0 HG3 ARG A 16 2.789 13.125 -23.970 1.00 53.50 H new ATOM 0 HD2 ARG A 16 4.605 13.659 -25.214 1.00 33.31 H new ATOM 0 HD3 ARG A 16 5.719 13.057 -24.003 1.00 33.31 H new ATOM 0 HE ARG A 16 4.794 11.653 -26.378 1.00 12.41 H new ATOM 0 HH11 ARG A 16 5.945 11.256 -23.065 1.00 22.23 H new ATOM 0 HH12 ARG A 16 6.571 9.630 -23.355 1.00 22.23 H new ATOM 0 HH21 ARG A 16 5.599 9.564 -26.743 1.00 31.34 H new ATOM 0 HH22 ARG A 16 6.376 8.675 -25.428 1.00 31.34 H new ATOM 297 N GLY A 17 2.156 15.678 -21.998 1.00 3.11 N ATOM 298 CA GLY A 17 1.048 16.434 -22.550 1.00 52.52 C ATOM 299 C GLY A 17 1.480 17.780 -23.098 1.00 11.20 C ATOM 300 O GLY A 17 0.764 18.396 -23.888 1.00 63.11 O ATOM 0 H GLY A 17 2.079 15.470 -21.002 1.00 3.11 H new ATOM 0 HA2 GLY A 17 0.578 15.855 -23.345 1.00 52.52 H new ATOM 0 HA3 GLY A 17 0.294 16.585 -21.777 1.00 52.52 H new ATOM 304 N VAL A 18 2.654 18.240 -22.677 1.00 30.44 N ATOM 305 CA VAL A 18 3.180 19.522 -23.130 1.00 25.54 C ATOM 306 C VAL A 18 4.081 19.346 -24.347 1.00 42.41 C ATOM 307 O VAL A 18 4.197 20.246 -25.179 1.00 63.53 O ATOM 308 CB VAL A 18 3.974 20.228 -22.015 1.00 25.23 C ATOM 309 CG1 VAL A 18 4.394 21.621 -22.458 1.00 12.10 C ATOM 310 CG2 VAL A 18 3.154 20.291 -20.735 1.00 62.21 C ATOM 0 H VAL A 18 3.259 17.744 -22.023 1.00 30.44 H new ATOM 0 HA VAL A 18 2.323 20.138 -23.402 1.00 25.54 H new ATOM 0 HB VAL A 18 4.876 19.650 -21.813 1.00 25.23 H new ATOM 0 HG11 VAL A 18 4.954 22.104 -21.657 1.00 12.10 H new ATOM 0 HG12 VAL A 18 5.022 21.547 -23.346 1.00 12.10 H new ATOM 0 HG13 VAL A 18 3.508 22.212 -22.689 1.00 12.10 H new ATOM 0 HG21 VAL A 18 3.730 20.793 -19.958 1.00 62.21 H new ATOM 0 HG22 VAL A 18 2.234 20.845 -20.919 1.00 62.21 H new ATOM 0 HG23 VAL A 18 2.910 19.280 -20.409 1.00 62.21 H new ATOM 320 N GLN A 19 4.716 18.183 -24.444 1.00 61.21 N ATOM 321 CA GLN A 19 5.607 17.890 -25.561 1.00 1.04 C ATOM 322 C GLN A 19 4.871 17.131 -26.660 1.00 23.44 C ATOM 323 O GLN A 19 5.437 16.245 -27.303 1.00 11.24 O ATOM 324 CB GLN A 19 6.811 17.077 -25.080 1.00 53.15 C ATOM 325 CG GLN A 19 6.458 15.661 -24.654 1.00 54.24 C ATOM 326 CD GLN A 19 7.181 14.608 -25.471 1.00 53.51 C ATOM 327 OE1 GLN A 19 6.643 14.087 -26.449 1.00 3.24 O ATOM 328 NE2 GLN A 19 8.407 14.290 -25.074 1.00 21.12 N ATOM 0 H GLN A 19 4.630 17.428 -23.763 1.00 61.21 H new ATOM 0 HA GLN A 19 5.958 18.837 -25.972 1.00 1.04 H new ATOM 0 HB2 GLN A 19 7.552 17.033 -25.878 1.00 53.15 H new ATOM 0 HB3 GLN A 19 7.277 17.594 -24.241 1.00 53.15 H new ATOM 0 HG2 GLN A 19 6.705 15.531 -23.600 1.00 54.24 H new ATOM 0 HG3 GLN A 19 5.382 15.514 -24.750 1.00 54.24 H new ATOM 0 HE21 GLN A 19 8.813 14.747 -24.258 1.00 21.12 H new ATOM 0 HE22 GLN A 19 8.943 13.588 -25.585 1.00 21.12 H new ATOM 337 N LEU A 20 3.608 17.482 -26.870 1.00 74.30 N ATOM 338 CA LEU A 20 2.793 16.833 -27.892 1.00 22.22 C ATOM 339 C LEU A 20 1.669 17.752 -28.357 1.00 15.42 C ATOM 340 O LEU A 20 1.368 17.831 -29.548 1.00 72.45 O ATOM 341 CB LEU A 20 2.209 15.526 -27.352 1.00 51.14 C ATOM 342 CG LEU A 20 1.214 14.809 -28.265 1.00 72.41 C ATOM 343 CD1 LEU A 20 1.936 14.156 -29.434 1.00 11.41 C ATOM 344 CD2 LEU A 20 0.421 13.773 -27.481 1.00 3.24 C ATOM 0 H LEU A 20 3.125 18.212 -26.347 1.00 74.30 H new ATOM 0 HA LEU A 20 3.433 16.612 -28.746 1.00 22.22 H new ATOM 0 HB2 LEU A 20 3.032 14.844 -27.138 1.00 51.14 H new ATOM 0 HB3 LEU A 20 1.715 15.736 -26.403 1.00 51.14 H new ATOM 0 HG LEU A 20 0.517 15.548 -28.661 1.00 72.41 H new ATOM 0 HD11 LEU A 20 1.212 13.651 -30.073 1.00 11.41 H new ATOM 0 HD12 LEU A 20 2.458 14.919 -30.011 1.00 11.41 H new ATOM 0 HD13 LEU A 20 2.656 13.430 -29.057 1.00 11.41 H new ATOM 0 HD21 LEU A 20 -0.282 13.273 -28.147 1.00 3.24 H new ATOM 0 HD22 LEU A 20 1.104 13.038 -27.056 1.00 3.24 H new ATOM 0 HD23 LEU A 20 -0.127 14.266 -26.678 1.00 3.24 H new ATOM 356 N THR A 21 1.051 18.450 -27.408 1.00 74.43 N ATOM 357 CA THR A 21 -0.040 19.365 -27.720 1.00 61.32 C ATOM 358 C THR A 21 0.470 20.594 -28.464 1.00 74.22 C ATOM 359 O THR A 21 -0.278 21.243 -29.195 1.00 55.25 O ATOM 360 CB THR A 21 -0.775 19.819 -26.445 1.00 24.43 C ATOM 361 OG1 THR A 21 0.161 20.365 -25.509 1.00 0.23 O ATOM 362 CG2 THR A 21 -1.518 18.656 -25.806 1.00 33.53 C ATOM 0 H THR A 21 1.288 18.399 -26.417 1.00 74.43 H new ATOM 0 HA THR A 21 -0.737 18.821 -28.357 1.00 61.32 H new ATOM 0 HB THR A 21 -1.500 20.584 -26.723 1.00 24.43 H new ATOM 0 HG1 THR A 21 0.426 19.672 -24.869 1.00 0.23 H new ATOM 0 HG21 THR A 21 -2.029 19.001 -24.907 1.00 33.53 H new ATOM 0 HG22 THR A 21 -2.250 18.260 -26.511 1.00 33.53 H new ATOM 0 HG23 THR A 21 -0.808 17.872 -25.541 1.00 33.53 H new ATOM 370 N TYR A 22 1.746 20.908 -28.274 1.00 21.33 N ATOM 371 CA TYR A 22 2.355 22.061 -28.926 1.00 22.21 C ATOM 372 C TYR A 22 3.621 21.657 -29.675 1.00 44.12 C ATOM 373 O TYR A 22 4.248 22.479 -30.343 1.00 24.31 O ATOM 374 CB TYR A 22 2.682 23.142 -27.895 1.00 2.50 C ATOM 375 CG TYR A 22 2.823 24.525 -28.491 1.00 74.24 C ATOM 376 CD1 TYR A 22 1.872 25.022 -29.374 1.00 14.34 C ATOM 377 CD2 TYR A 22 3.906 25.334 -28.172 1.00 22.23 C ATOM 378 CE1 TYR A 22 1.996 26.284 -29.921 1.00 44.33 C ATOM 379 CE2 TYR A 22 4.038 26.598 -28.714 1.00 24.35 C ATOM 380 CZ TYR A 22 3.081 27.068 -29.588 1.00 43.21 C ATOM 381 OH TYR A 22 3.208 28.326 -30.131 1.00 4.45 O ATOM 0 H TYR A 22 2.379 20.380 -27.673 1.00 21.33 H new ATOM 0 HA TYR A 22 1.640 22.459 -29.646 1.00 22.21 H new ATOM 0 HB2 TYR A 22 1.897 23.160 -27.138 1.00 2.50 H new ATOM 0 HB3 TYR A 22 3.609 22.878 -27.386 1.00 2.50 H new ATOM 0 HD1 TYR A 22 1.021 24.411 -29.637 1.00 14.34 H new ATOM 0 HD2 TYR A 22 4.658 24.969 -27.488 1.00 22.23 H new ATOM 0 HE1 TYR A 22 1.248 26.655 -30.606 1.00 44.33 H new ATOM 0 HE2 TYR A 22 4.886 27.214 -28.454 1.00 24.35 H new ATOM 0 HH TYR A 22 4.026 28.747 -29.793 1.00 4.45 H new ATOM 391 N GLU A 23 3.990 20.385 -29.559 1.00 11.22 N ATOM 392 CA GLU A 23 5.181 19.872 -30.225 1.00 21.32 C ATOM 393 C GLU A 23 5.180 20.244 -31.705 1.00 2.13 C ATOM 394 O GLU A 23 6.236 20.375 -32.324 1.00 65.22 O ATOM 395 CB GLU A 23 5.264 18.352 -30.070 1.00 71.32 C ATOM 396 CG GLU A 23 4.337 17.593 -31.006 1.00 5.41 C ATOM 397 CD GLU A 23 4.508 16.090 -30.904 1.00 45.12 C ATOM 398 OE1 GLU A 23 5.291 15.638 -30.042 1.00 51.34 O ATOM 399 OE2 GLU A 23 3.859 15.366 -31.687 1.00 71.51 O ATOM 0 H GLU A 23 3.481 19.692 -29.010 1.00 11.22 H new ATOM 0 HA GLU A 23 6.053 20.326 -29.755 1.00 21.32 H new ATOM 0 HB2 GLU A 23 6.290 18.032 -30.251 1.00 71.32 H new ATOM 0 HB3 GLU A 23 5.024 18.087 -29.040 1.00 71.32 H new ATOM 0 HG2 GLU A 23 3.303 17.854 -30.778 1.00 5.41 H new ATOM 0 HG3 GLU A 23 4.526 17.908 -32.032 1.00 5.41 H new ATOM 406 N HIS A 24 3.987 20.413 -32.266 1.00 30.03 N ATOM 407 CA HIS A 24 3.847 20.770 -33.673 1.00 4.31 C ATOM 408 C HIS A 24 4.652 22.026 -33.997 1.00 34.30 C ATOM 409 O HIS A 24 5.110 22.209 -35.125 1.00 61.22 O ATOM 410 CB HIS A 24 2.375 20.989 -34.022 1.00 0.53 C ATOM 411 CG HIS A 24 1.476 19.891 -33.544 1.00 64.52 C ATOM 412 ND1 HIS A 24 1.033 18.872 -34.362 1.00 12.44 N ATOM 413 CD2 HIS A 24 0.940 19.653 -32.325 1.00 35.24 C ATOM 414 CE1 HIS A 24 0.261 18.057 -33.666 1.00 14.01 C ATOM 415 NE2 HIS A 24 0.188 18.508 -32.427 1.00 21.14 N ATOM 0 H HIS A 24 3.103 20.308 -31.768 1.00 30.03 H new ATOM 0 HA HIS A 24 4.235 19.946 -34.272 1.00 4.31 H new ATOM 0 HB2 HIS A 24 2.044 21.933 -33.589 1.00 0.53 H new ATOM 0 HB3 HIS A 24 2.277 21.083 -35.103 1.00 0.53 H new ATOM 0 HD2 HIS A 24 1.078 20.252 -31.437 1.00 35.24 H new ATOM 0 HE1 HIS A 24 -0.228 17.172 -34.046 1.00 14.01 H new ATOM 0 HE2 HIS A 24 -0.341 18.076 -31.669 1.00 21.14 H new ATOM 423 N THR A 25 4.819 22.889 -33.000 1.00 53.52 N ATOM 424 CA THR A 25 5.565 24.128 -33.179 1.00 43.25 C ATOM 425 C THR A 25 6.654 24.272 -32.122 1.00 52.10 C ATOM 426 O THR A 25 6.904 25.368 -31.621 1.00 21.33 O ATOM 427 CB THR A 25 4.638 25.357 -33.116 1.00 64.12 C ATOM 428 OG1 THR A 25 3.985 25.413 -31.843 1.00 61.32 O ATOM 429 CG2 THR A 25 3.598 25.307 -34.224 1.00 55.14 C ATOM 0 H THR A 25 4.447 22.752 -32.060 1.00 53.52 H new ATOM 0 HA THR A 25 6.025 24.080 -34.166 1.00 43.25 H new ATOM 0 HB THR A 25 5.246 26.251 -33.251 1.00 64.12 H new ATOM 0 HG1 THR A 25 3.885 26.348 -31.568 1.00 61.32 H new ATOM 0 HG21 THR A 25 2.955 26.185 -34.159 1.00 55.14 H new ATOM 0 HG22 THR A 25 4.098 25.294 -35.192 1.00 55.14 H new ATOM 0 HG23 THR A 25 2.994 24.406 -34.116 1.00 55.14 H new ATOM 437 N MET A 26 7.299 23.159 -31.788 1.00 35.01 N ATOM 438 CA MET A 26 8.362 23.163 -30.791 1.00 24.45 C ATOM 439 C MET A 26 9.653 22.593 -31.370 1.00 61.24 C ATOM 440 O MET A 26 10.657 23.297 -31.488 1.00 53.25 O ATOM 441 CB MET A 26 7.941 22.355 -29.562 1.00 24.44 C ATOM 442 CG MET A 26 6.687 22.884 -28.887 1.00 14.43 C ATOM 443 SD MET A 26 6.991 23.454 -27.203 1.00 61.12 S ATOM 444 CE MET A 26 7.549 25.128 -27.508 1.00 2.30 C ATOM 0 H MET A 26 7.104 22.244 -32.193 1.00 35.01 H new ATOM 0 HA MET A 26 8.543 24.196 -30.494 1.00 24.45 H new ATOM 0 HB2 MET A 26 7.775 21.319 -29.858 1.00 24.44 H new ATOM 0 HB3 MET A 26 8.759 22.353 -28.841 1.00 24.44 H new ATOM 0 HG2 MET A 26 6.281 23.706 -29.477 1.00 14.43 H new ATOM 0 HG3 MET A 26 5.930 22.100 -28.870 1.00 14.43 H new ATOM 0 HE1 MET A 26 7.675 25.648 -26.558 1.00 2.30 H new ATOM 0 HE2 MET A 26 8.501 25.103 -28.038 1.00 2.30 H new ATOM 0 HE3 MET A 26 6.811 25.653 -28.114 1.00 2.30 H new ATOM 454 N LEU A 27 9.621 21.315 -31.730 1.00 71.53 N ATOM 455 CA LEU A 27 10.789 20.650 -32.298 1.00 31.20 C ATOM 456 C LEU A 27 10.545 20.271 -33.755 1.00 41.03 C ATOM 457 O LEU A 27 11.398 19.658 -34.397 1.00 55.35 O ATOM 458 CB LEU A 27 11.134 19.401 -31.485 1.00 65.24 C ATOM 459 CG LEU A 27 12.356 19.511 -30.573 1.00 24.42 C ATOM 460 CD1 LEU A 27 12.005 20.261 -29.298 1.00 13.22 C ATOM 461 CD2 LEU A 27 12.904 18.129 -30.247 1.00 23.14 C ATOM 0 H LEU A 27 8.799 20.718 -31.639 1.00 71.53 H new ATOM 0 HA LEU A 27 11.628 21.345 -32.259 1.00 31.20 H new ATOM 0 HB2 LEU A 27 10.271 19.140 -30.873 1.00 65.24 H new ATOM 0 HB3 LEU A 27 11.295 18.574 -32.177 1.00 65.24 H new ATOM 0 HG LEU A 27 13.129 20.072 -31.099 1.00 24.42 H new ATOM 0 HD11 LEU A 27 12.887 20.329 -28.661 1.00 13.22 H new ATOM 0 HD12 LEU A 27 11.660 21.264 -29.549 1.00 13.22 H new ATOM 0 HD13 LEU A 27 11.216 19.728 -28.768 1.00 13.22 H new ATOM 0 HD21 LEU A 27 13.774 18.226 -29.597 1.00 23.14 H new ATOM 0 HD22 LEU A 27 12.136 17.543 -29.741 1.00 23.14 H new ATOM 0 HD23 LEU A 27 13.195 17.626 -31.169 1.00 23.14 H new ATOM 473 N GLN A 28 9.377 20.642 -34.270 1.00 64.24 N ATOM 474 CA GLN A 28 9.023 20.342 -35.653 1.00 31.14 C ATOM 475 C GLN A 28 9.374 21.508 -36.570 1.00 51.51 C ATOM 476 O GLN A 28 8.839 21.628 -37.673 1.00 24.13 O ATOM 477 CB GLN A 28 7.531 20.023 -35.761 1.00 13.40 C ATOM 478 CG GLN A 28 7.213 18.543 -35.629 1.00 25.40 C ATOM 479 CD GLN A 28 7.812 17.715 -36.749 1.00 42.34 C ATOM 480 OE1 GLN A 28 8.871 17.108 -36.590 1.00 65.14 O ATOM 481 NE2 GLN A 28 7.135 17.687 -37.892 1.00 5.14 N ATOM 0 H GLN A 28 8.661 21.150 -33.751 1.00 64.24 H new ATOM 0 HA GLN A 28 9.597 19.471 -35.968 1.00 31.14 H new ATOM 0 HB2 GLN A 28 6.994 20.572 -34.987 1.00 13.40 H new ATOM 0 HB3 GLN A 28 7.160 20.381 -36.721 1.00 13.40 H new ATOM 0 HG2 GLN A 28 7.588 18.179 -34.673 1.00 25.40 H new ATOM 0 HG3 GLN A 28 6.132 18.407 -35.620 1.00 25.40 H new ATOM 0 HE21 GLN A 28 6.261 18.205 -37.980 1.00 5.14 H new ATOM 0 HE22 GLN A 28 7.489 17.147 -38.682 1.00 5.14 H new ATOM 490 N LYS A 29 10.276 22.368 -36.108 1.00 34.24 N ATOM 491 CA LYS A 29 10.700 23.525 -36.886 1.00 53.50 C ATOM 492 C LYS A 29 9.508 24.408 -37.242 1.00 74.13 C ATOM 493 O LYS A 29 9.555 25.174 -38.205 1.00 74.11 O ATOM 494 CB LYS A 29 11.413 23.074 -38.162 1.00 41.04 C ATOM 495 CG LYS A 29 12.494 22.035 -37.920 1.00 73.40 C ATOM 496 CD LYS A 29 13.810 22.438 -38.563 1.00 10.20 C ATOM 497 CE LYS A 29 15.000 21.900 -37.783 1.00 14.34 C ATOM 498 NZ LYS A 29 16.268 22.578 -38.168 1.00 63.15 N ATOM 0 H LYS A 29 10.728 22.285 -35.197 1.00 34.24 H new ATOM 0 HA LYS A 29 11.392 24.107 -36.277 1.00 53.50 H new ATOM 0 HB2 LYS A 29 10.677 22.666 -38.854 1.00 41.04 H new ATOM 0 HB3 LYS A 29 11.858 23.943 -38.646 1.00 41.04 H new ATOM 0 HG2 LYS A 29 12.638 21.902 -36.848 1.00 73.40 H new ATOM 0 HG3 LYS A 29 12.172 21.074 -38.320 1.00 73.40 H new ATOM 0 HD2 LYS A 29 13.846 22.064 -39.586 1.00 10.20 H new ATOM 0 HD3 LYS A 29 13.871 23.525 -38.618 1.00 10.20 H new ATOM 0 HE2 LYS A 29 14.826 22.035 -36.716 1.00 14.34 H new ATOM 0 HE3 LYS A 29 15.094 20.828 -37.957 1.00 14.34 H new ATOM 0 HZ1 LYS A 29 17.055 22.183 -37.614 1.00 63.15 H new ATOM 0 HZ2 LYS A 29 16.448 22.428 -39.181 1.00 63.15 H new ATOM 0 HZ3 LYS A 29 16.188 23.597 -37.978 1.00 63.15 H new ATOM 512 N LYS A 30 8.440 24.297 -36.459 1.00 60.32 N ATOM 513 CA LYS A 30 7.236 25.086 -36.690 1.00 10.15 C ATOM 514 C LYS A 30 6.732 24.905 -38.118 1.00 12.32 C ATOM 515 O LYS A 30 5.548 24.653 -38.341 1.00 74.21 O ATOM 516 CB LYS A 30 7.512 26.567 -36.419 1.00 24.34 C ATOM 517 CG LYS A 30 6.596 27.175 -35.371 1.00 22.43 C ATOM 518 CD LYS A 30 7.348 27.493 -34.089 1.00 63.33 C ATOM 519 CE LYS A 30 8.339 28.629 -34.292 1.00 63.41 C ATOM 520 NZ LYS A 30 8.247 29.646 -33.208 1.00 74.33 N ATOM 0 H LYS A 30 8.384 23.668 -35.658 1.00 60.32 H new ATOM 0 HA LYS A 30 6.465 24.735 -36.004 1.00 10.15 H new ATOM 0 HB2 LYS A 30 8.547 26.682 -36.096 1.00 24.34 H new ATOM 0 HB3 LYS A 30 7.405 27.124 -37.350 1.00 24.34 H new ATOM 0 HG2 LYS A 30 6.145 28.086 -35.765 1.00 22.43 H new ATOM 0 HG3 LYS A 30 5.781 26.484 -35.154 1.00 22.43 H new ATOM 0 HD2 LYS A 30 6.638 27.763 -33.307 1.00 63.33 H new ATOM 0 HD3 LYS A 30 7.877 26.604 -33.746 1.00 63.33 H new ATOM 0 HE2 LYS A 30 9.351 28.226 -34.327 1.00 63.41 H new ATOM 0 HE3 LYS A 30 8.153 29.106 -35.254 1.00 63.41 H new ATOM 0 HZ1 LYS A 30 8.938 30.403 -33.383 1.00 74.33 H new ATOM 0 HZ2 LYS A 30 7.289 30.049 -33.191 1.00 74.33 H new ATOM 0 HZ3 LYS A 30 8.450 29.197 -32.292 1.00 74.33 H new TER 534 LYS A 30