USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=8 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 135:sc= 0.0176 (180deg=-0.487) 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= -0.0694 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00835 X(o=-0.0084,f=0) USER MOD Single : A 21 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.229 K(o=0.23,f=-0.87) USER MOD Single : A 28 GLN : amide:sc=-0.00824 K(o=-0.0082,f=-4.7!) 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 -0.066 -1.814 -2.011 1.00 33.10 N ATOM 2 CA LYS A 1 0.864 -1.633 -3.119 1.00 51.30 C ATOM 3 C LYS A 1 0.480 -0.419 -3.959 1.00 13.53 C ATOM 4 O LYS A 1 -0.670 0.022 -3.943 1.00 71.51 O ATOM 5 CB LYS A 1 0.893 -2.885 -3.998 1.00 30.22 C ATOM 6 CG LYS A 1 -0.441 -3.200 -4.653 1.00 43.41 C ATOM 7 CD LYS A 1 -0.742 -4.688 -4.617 1.00 75.43 C ATOM 8 CE LYS A 1 -1.772 -5.023 -3.549 1.00 1.12 C ATOM 9 NZ LYS A 1 -1.678 -6.444 -3.114 1.00 75.22 N ATOM 0 H1 LYS A 1 -0.330 -2.817 -1.940 1.00 33.10 H new ATOM 0 H2 LYS A 1 0.387 -1.511 -1.125 1.00 33.10 H new ATOM 0 H3 LYS A 1 -0.919 -1.243 -2.177 1.00 33.10 H new ATOM 0 HA LYS A 1 1.857 -1.466 -2.702 1.00 51.30 H new ATOM 0 HB2 LYS A 1 1.648 -2.756 -4.774 1.00 30.22 H new ATOM 0 HB3 LYS A 1 1.201 -3.737 -3.392 1.00 30.22 H new ATOM 0 HG2 LYS A 1 -1.235 -2.655 -4.143 1.00 43.41 H new ATOM 0 HG3 LYS A 1 -0.430 -2.855 -5.687 1.00 43.41 H new ATOM 0 HD2 LYS A 1 -1.109 -5.010 -5.592 1.00 75.43 H new ATOM 0 HD3 LYS A 1 0.177 -5.242 -4.424 1.00 75.43 H new ATOM 0 HE2 LYS A 1 -1.629 -4.370 -2.688 1.00 1.12 H new ATOM 0 HE3 LYS A 1 -2.772 -4.827 -3.935 1.00 1.12 H new ATOM 0 HZ1 LYS A 1 -2.396 -6.632 -2.386 1.00 75.22 H new ATOM 0 HZ2 LYS A 1 -1.840 -7.068 -3.930 1.00 75.22 H new ATOM 0 HZ3 LYS A 1 -0.732 -6.625 -2.722 1.00 75.22 H new ATOM 23 N LYS A 2 1.449 0.118 -4.692 1.00 53.33 N ATOM 24 CA LYS A 2 1.212 1.280 -5.541 1.00 63.02 C ATOM 25 C LYS A 2 1.134 0.874 -7.009 1.00 43.15 C ATOM 26 O LYS A 2 1.734 -0.119 -7.421 1.00 71.22 O ATOM 27 CB LYS A 2 2.323 2.315 -5.345 1.00 75.14 C ATOM 28 CG LYS A 2 2.199 3.102 -4.052 1.00 41.02 C ATOM 29 CD LYS A 2 3.208 2.635 -3.017 1.00 20.34 C ATOM 30 CE LYS A 2 4.321 3.653 -2.824 1.00 24.10 C ATOM 31 NZ LYS A 2 4.030 4.588 -1.702 1.00 22.31 N ATOM 0 H LYS A 2 2.406 -0.233 -4.715 1.00 53.33 H new ATOM 0 HA LYS A 2 0.258 1.721 -5.253 1.00 63.02 H new ATOM 0 HB2 LYS A 2 3.288 1.808 -5.361 1.00 75.14 H new ATOM 0 HB3 LYS A 2 2.314 3.009 -6.185 1.00 75.14 H new ATOM 0 HG2 LYS A 2 2.348 4.163 -4.255 1.00 41.02 H new ATOM 0 HG3 LYS A 2 1.190 2.993 -3.654 1.00 41.02 H new ATOM 0 HD2 LYS A 2 2.703 2.463 -2.067 1.00 20.34 H new ATOM 0 HD3 LYS A 2 3.635 1.682 -3.328 1.00 20.34 H new ATOM 0 HE2 LYS A 2 5.259 3.133 -2.629 1.00 24.10 H new ATOM 0 HE3 LYS A 2 4.457 4.221 -3.744 1.00 24.10 H new ATOM 0 HZ1 LYS A 2 4.812 5.266 -1.603 1.00 22.31 H new ATOM 0 HZ2 LYS A 2 3.148 5.103 -1.899 1.00 22.31 H new ATOM 0 HZ3 LYS A 2 3.926 4.049 -0.819 1.00 22.31 H new ATOM 45 N ARG A 3 0.393 1.649 -7.794 1.00 43.34 N ATOM 46 CA ARG A 3 0.238 1.370 -9.217 1.00 12.11 C ATOM 47 C ARG A 3 0.967 2.414 -10.059 1.00 35.44 C ATOM 48 O ARG A 3 1.874 2.086 -10.824 1.00 31.55 O ATOM 49 CB ARG A 3 -1.245 1.340 -9.593 1.00 44.34 C ATOM 50 CG ARG A 3 -2.044 0.293 -8.836 1.00 74.11 C ATOM 51 CD ARG A 3 -3.506 0.296 -9.257 1.00 64.45 C ATOM 52 NE ARG A 3 -4.162 1.563 -8.949 1.00 2.31 N ATOM 53 CZ ARG A 3 -5.409 1.851 -9.305 1.00 20.14 C ATOM 54 NH1 ARG A 3 -6.131 0.965 -9.977 1.00 40.42 N ATOM 55 NH2 ARG A 3 -5.936 3.026 -8.987 1.00 14.31 N ATOM 0 H ARG A 3 -0.109 2.475 -7.469 1.00 43.34 H new ATOM 0 HA ARG A 3 0.678 0.394 -9.421 1.00 12.11 H new ATOM 0 HB2 ARG A 3 -1.679 2.322 -9.405 1.00 44.34 H new ATOM 0 HB3 ARG A 3 -1.336 1.151 -10.663 1.00 44.34 H new ATOM 0 HG2 ARG A 3 -1.615 -0.693 -9.014 1.00 74.11 H new ATOM 0 HG3 ARG A 3 -1.972 0.483 -7.765 1.00 74.11 H new ATOM 0 HD2 ARG A 3 -3.575 0.103 -10.328 1.00 64.45 H new ATOM 0 HD3 ARG A 3 -4.030 -0.516 -8.752 1.00 64.45 H new ATOM 0 HE ARG A 3 -3.634 2.266 -8.432 1.00 2.31 H new ATOM 0 HH11 ARG A 3 -5.729 0.060 -10.222 1.00 40.42 H new ATOM 0 HH12 ARG A 3 -7.088 1.188 -10.249 1.00 40.42 H new ATOM 0 HH21 ARG A 3 -5.384 3.709 -8.469 1.00 14.31 H new ATOM 0 HH22 ARG A 3 -6.894 3.246 -9.261 1.00 14.31 H new ATOM 69 N TYR A 4 0.563 3.671 -9.912 1.00 60.44 N ATOM 70 CA TYR A 4 1.175 4.762 -10.661 1.00 62.20 C ATOM 71 C TYR A 4 2.594 5.031 -10.169 1.00 50.41 C ATOM 72 O TYR A 4 3.560 4.902 -10.921 1.00 72.34 O ATOM 73 CB TYR A 4 0.330 6.031 -10.536 1.00 64.11 C ATOM 74 CG TYR A 4 -0.853 6.066 -11.477 1.00 23.31 C ATOM 75 CD1 TYR A 4 -1.787 5.037 -11.488 1.00 63.11 C ATOM 76 CD2 TYR A 4 -1.036 7.127 -12.355 1.00 73.40 C ATOM 77 CE1 TYR A 4 -2.869 5.064 -12.346 1.00 61.03 C ATOM 78 CE2 TYR A 4 -2.116 7.163 -13.216 1.00 33.34 C ATOM 79 CZ TYR A 4 -3.030 6.129 -13.208 1.00 4.23 C ATOM 80 OH TYR A 4 -4.106 6.161 -14.064 1.00 60.25 O ATOM 0 H TYR A 4 -0.185 3.959 -9.281 1.00 60.44 H new ATOM 0 HA TYR A 4 1.223 4.468 -11.709 1.00 62.20 H new ATOM 0 HB2 TYR A 4 -0.029 6.119 -9.511 1.00 64.11 H new ATOM 0 HB3 TYR A 4 0.962 6.898 -10.728 1.00 64.11 H new ATOM 0 HD1 TYR A 4 -1.665 4.202 -10.814 1.00 63.11 H new ATOM 0 HD2 TYR A 4 -0.322 7.937 -12.365 1.00 73.40 H new ATOM 0 HE1 TYR A 4 -3.585 4.256 -12.342 1.00 61.03 H new ATOM 0 HE2 TYR A 4 -2.244 7.996 -13.892 1.00 33.34 H new ATOM 0 HH TYR A 4 -4.072 6.979 -14.602 1.00 60.25 H new ATOM 90 N VAL A 5 2.712 5.407 -8.899 1.00 54.14 N ATOM 91 CA VAL A 5 4.011 5.694 -8.304 1.00 64.42 C ATOM 92 C VAL A 5 4.954 4.504 -8.444 1.00 63.23 C ATOM 93 O VAL A 5 6.171 4.670 -8.532 1.00 75.31 O ATOM 94 CB VAL A 5 3.878 6.056 -6.813 1.00 44.43 C ATOM 95 CG1 VAL A 5 5.246 6.326 -6.205 1.00 42.41 C ATOM 96 CG2 VAL A 5 2.961 7.257 -6.637 1.00 41.13 C ATOM 0 H VAL A 5 1.923 5.520 -8.263 1.00 54.14 H new ATOM 0 HA VAL A 5 4.424 6.547 -8.842 1.00 64.42 H new ATOM 0 HB VAL A 5 3.435 5.209 -6.289 1.00 44.43 H new ATOM 0 HG11 VAL A 5 5.132 6.580 -5.151 1.00 42.41 H new ATOM 0 HG12 VAL A 5 5.868 5.436 -6.298 1.00 42.41 H new ATOM 0 HG13 VAL A 5 5.720 7.156 -6.729 1.00 42.41 H new ATOM 0 HG21 VAL A 5 2.878 7.499 -5.578 1.00 41.13 H new ATOM 0 HG22 VAL A 5 3.374 8.111 -7.173 1.00 41.13 H new ATOM 0 HG23 VAL A 5 1.973 7.022 -7.034 1.00 41.13 H new ATOM 106 N ALA A 6 4.384 3.303 -8.465 1.00 44.40 N ATOM 107 CA ALA A 6 5.174 2.085 -8.597 1.00 53.22 C ATOM 108 C ALA A 6 5.671 1.906 -10.027 1.00 64.14 C ATOM 109 O ALA A 6 6.649 1.199 -10.270 1.00 41.11 O ATOM 110 CB ALA A 6 4.356 0.877 -8.166 1.00 32.04 C ATOM 0 H ALA A 6 3.378 3.148 -8.392 1.00 44.40 H new ATOM 0 HA ALA A 6 6.044 2.173 -7.946 1.00 53.22 H new ATOM 0 HB1 ALA A 6 4.958 -0.026 -8.270 1.00 32.04 H new ATOM 0 HB2 ALA A 6 4.054 0.994 -7.125 1.00 32.04 H new ATOM 0 HB3 ALA A 6 3.469 0.796 -8.794 1.00 32.04 H new ATOM 116 N MET A 7 4.992 2.550 -10.971 1.00 11.04 N ATOM 117 CA MET A 7 5.366 2.461 -12.377 1.00 44.32 C ATOM 118 C MET A 7 6.361 3.558 -12.745 1.00 54.12 C ATOM 119 O MET A 7 6.901 3.574 -13.851 1.00 53.44 O ATOM 120 CB MET A 7 4.125 2.564 -13.265 1.00 74.50 C ATOM 121 CG MET A 7 4.273 1.855 -14.602 1.00 4.23 C ATOM 122 SD MET A 7 3.291 2.620 -15.906 1.00 33.50 S ATOM 123 CE MET A 7 3.350 1.347 -17.165 1.00 24.11 C ATOM 0 H MET A 7 4.180 3.139 -10.787 1.00 11.04 H new ATOM 0 HA MET A 7 5.841 1.494 -12.540 1.00 44.32 H new ATOM 0 HB2 MET A 7 3.272 2.144 -12.733 1.00 74.50 H new ATOM 0 HB3 MET A 7 3.903 3.616 -13.444 1.00 74.50 H new ATOM 0 HG2 MET A 7 5.323 1.856 -14.895 1.00 4.23 H new ATOM 0 HG3 MET A 7 3.974 0.813 -14.491 1.00 4.23 H new ATOM 0 HE1 MET A 7 2.786 1.673 -18.039 1.00 24.11 H new ATOM 0 HE2 MET A 7 4.386 1.165 -17.450 1.00 24.11 H new ATOM 0 HE3 MET A 7 2.914 0.428 -16.774 1.00 24.11 H new ATOM 133 N VAL A 8 6.598 4.474 -11.811 1.00 74.32 N ATOM 134 CA VAL A 8 7.528 5.574 -12.037 1.00 74.44 C ATOM 135 C VAL A 8 8.707 5.503 -11.074 1.00 40.01 C ATOM 136 O VAL A 8 9.765 6.078 -11.330 1.00 4.12 O ATOM 137 CB VAL A 8 6.831 6.939 -11.880 1.00 64.52 C ATOM 138 CG1 VAL A 8 7.668 8.041 -12.511 1.00 62.23 C ATOM 139 CG2 VAL A 8 5.439 6.899 -12.491 1.00 14.22 C ATOM 0 H VAL A 8 6.159 4.476 -10.891 1.00 74.32 H new ATOM 0 HA VAL A 8 7.892 5.476 -13.060 1.00 74.44 H new ATOM 0 HB VAL A 8 6.730 7.156 -10.817 1.00 64.52 H new ATOM 0 HG11 VAL A 8 7.160 8.998 -12.391 1.00 62.23 H new ATOM 0 HG12 VAL A 8 8.642 8.083 -12.023 1.00 62.23 H new ATOM 0 HG13 VAL A 8 7.803 7.833 -13.572 1.00 62.23 H new ATOM 0 HG21 VAL A 8 4.961 7.871 -12.371 1.00 14.22 H new ATOM 0 HG22 VAL A 8 5.514 6.660 -13.552 1.00 14.22 H new ATOM 0 HG23 VAL A 8 4.843 6.137 -11.989 1.00 14.22 H new ATOM 149 N ILE A 9 8.517 4.794 -9.966 1.00 44.33 N ATOM 150 CA ILE A 9 9.567 4.647 -8.965 1.00 55.12 C ATOM 151 C ILE A 9 10.797 3.966 -9.554 1.00 60.04 C ATOM 152 O ILE A 9 11.892 4.052 -8.999 1.00 21.22 O ATOM 153 CB ILE A 9 9.076 3.836 -7.751 1.00 65.12 C ATOM 154 CG1 ILE A 9 10.093 3.918 -6.611 1.00 5.40 C ATOM 155 CG2 ILE A 9 8.832 2.387 -8.146 1.00 53.21 C ATOM 156 CD1 ILE A 9 10.326 5.326 -6.110 1.00 2.53 C ATOM 0 H ILE A 9 7.647 4.313 -9.739 1.00 44.33 H new ATOM 0 HA ILE A 9 9.834 5.652 -8.637 1.00 55.12 H new ATOM 0 HB ILE A 9 8.134 4.262 -7.405 1.00 65.12 H new ATOM 0 HG12 ILE A 9 9.749 3.298 -5.783 1.00 5.40 H new ATOM 0 HG13 ILE A 9 11.041 3.500 -6.950 1.00 5.40 H new ATOM 0 HG21 ILE A 9 8.485 1.827 -7.278 1.00 53.21 H new ATOM 0 HG22 ILE A 9 8.076 2.346 -8.930 1.00 53.21 H new ATOM 0 HG23 ILE A 9 9.760 1.949 -8.514 1.00 53.21 H new ATOM 0 HD11 ILE A 9 11.058 5.308 -5.303 1.00 2.53 H new ATOM 0 HD12 ILE A 9 10.700 5.945 -6.925 1.00 2.53 H new ATOM 0 HD13 ILE A 9 9.388 5.741 -5.740 1.00 2.53 H new ATOM 168 N TRP A 10 10.609 3.291 -10.683 1.00 2.42 N ATOM 169 CA TRP A 10 11.705 2.597 -11.349 1.00 60.41 C ATOM 170 C TRP A 10 12.731 3.588 -11.888 1.00 34.12 C ATOM 171 O TRP A 10 13.928 3.303 -11.918 1.00 25.53 O ATOM 172 CB TRP A 10 11.168 1.729 -12.489 1.00 2.22 C ATOM 173 CG TRP A 10 11.487 2.272 -13.849 1.00 63.31 C ATOM 174 CD1 TRP A 10 10.646 2.962 -14.674 1.00 1.40 C ATOM 175 CD2 TRP A 10 12.735 2.166 -14.542 1.00 44.35 C ATOM 176 NE1 TRP A 10 11.296 3.293 -15.839 1.00 23.34 N ATOM 177 CE2 TRP A 10 12.579 2.817 -15.782 1.00 64.43 C ATOM 178 CE3 TRP A 10 13.970 1.588 -14.236 1.00 61.01 C ATOM 179 CZ2 TRP A 10 13.612 2.902 -16.713 1.00 34.12 C ATOM 180 CZ3 TRP A 10 14.993 1.673 -15.161 1.00 4.22 C ATOM 181 CH2 TRP A 10 14.810 2.327 -16.387 1.00 34.33 C ATOM 0 H TRP A 10 9.709 3.210 -11.156 1.00 2.42 H new ATOM 0 HA TRP A 10 12.196 1.958 -10.615 1.00 60.41 H new ATOM 0 HB2 TRP A 10 11.584 0.726 -12.399 1.00 2.22 H new ATOM 0 HB3 TRP A 10 10.087 1.636 -12.387 1.00 2.22 H new ATOM 0 HD1 TRP A 10 9.620 3.211 -14.445 1.00 1.40 H new ATOM 0 HE1 TRP A 10 10.889 3.809 -16.619 1.00 23.34 H new ATOM 0 HE3 TRP A 10 14.122 1.084 -13.293 1.00 61.01 H new ATOM 0 HZ2 TRP A 10 13.472 3.404 -17.659 1.00 34.12 H new ATOM 0 HZ3 TRP A 10 15.951 1.228 -14.935 1.00 4.22 H new ATOM 0 HH2 TRP A 10 15.630 2.378 -17.088 1.00 34.33 H new ATOM 192 N LEU A 11 12.254 4.753 -12.312 1.00 43.14 N ATOM 193 CA LEU A 11 13.131 5.788 -12.850 1.00 70.32 C ATOM 194 C LEU A 11 13.629 6.710 -11.742 1.00 21.42 C ATOM 195 O LEU A 11 14.713 7.286 -11.840 1.00 31.53 O ATOM 196 CB LEU A 11 12.396 6.603 -13.916 1.00 3.14 C ATOM 197 CG LEU A 11 11.536 7.759 -13.402 1.00 65.41 C ATOM 198 CD1 LEU A 11 12.352 9.040 -13.331 1.00 40.30 C ATOM 199 CD2 LEU A 11 10.315 7.950 -14.289 1.00 61.14 C ATOM 0 H LEU A 11 11.266 5.005 -12.294 1.00 43.14 H new ATOM 0 HA LEU A 11 13.993 5.299 -13.305 1.00 70.32 H new ATOM 0 HB2 LEU A 11 13.134 7.006 -14.610 1.00 3.14 H new ATOM 0 HB3 LEU A 11 11.758 5.927 -14.486 1.00 3.14 H new ATOM 0 HG LEU A 11 11.195 7.514 -12.396 1.00 65.41 H new ATOM 0 HD11 LEU A 11 11.724 9.852 -12.963 1.00 40.30 H new ATOM 0 HD12 LEU A 11 13.194 8.898 -12.654 1.00 40.30 H new ATOM 0 HD13 LEU A 11 12.723 9.290 -14.325 1.00 40.30 H new ATOM 0 HD21 LEU A 11 9.715 8.776 -13.909 1.00 61.14 H new ATOM 0 HD22 LEU A 11 10.636 8.173 -15.307 1.00 61.14 H new ATOM 0 HD23 LEU A 11 9.718 7.038 -14.288 1.00 61.14 H new ATOM 211 N TYR A 12 12.832 6.843 -10.688 1.00 21.24 N ATOM 212 CA TYR A 12 13.192 7.695 -9.560 1.00 72.32 C ATOM 213 C TYR A 12 14.261 7.033 -8.697 1.00 22.23 C ATOM 214 O TYR A 12 15.024 7.709 -8.007 1.00 20.14 O ATOM 215 CB TYR A 12 11.956 8.004 -8.713 1.00 42.44 C ATOM 216 CG TYR A 12 10.918 8.831 -9.437 1.00 52.41 C ATOM 217 CD1 TYR A 12 11.289 9.758 -10.404 1.00 31.32 C ATOM 218 CD2 TYR A 12 9.565 8.686 -9.155 1.00 21.52 C ATOM 219 CE1 TYR A 12 10.343 10.516 -11.067 1.00 25.22 C ATOM 220 CE2 TYR A 12 8.613 9.438 -9.814 1.00 14.41 C ATOM 221 CZ TYR A 12 9.007 10.352 -10.769 1.00 13.54 C ATOM 222 OH TYR A 12 8.062 11.105 -11.428 1.00 32.21 O ATOM 0 H TYR A 12 11.932 6.372 -10.591 1.00 21.24 H new ATOM 0 HA TYR A 12 13.596 8.627 -9.955 1.00 72.32 H new ATOM 0 HB2 TYR A 12 11.502 7.066 -8.392 1.00 42.44 H new ATOM 0 HB3 TYR A 12 12.266 8.533 -7.812 1.00 42.44 H new ATOM 0 HD1 TYR A 12 12.335 9.888 -10.641 1.00 31.32 H new ATOM 0 HD2 TYR A 12 9.253 7.972 -8.407 1.00 21.52 H new ATOM 0 HE1 TYR A 12 10.648 11.233 -11.815 1.00 25.22 H new ATOM 0 HE2 TYR A 12 7.566 9.311 -9.583 1.00 14.41 H new ATOM 0 HH TYR A 12 7.169 10.867 -11.102 1.00 32.21 H new ATOM 232 N SER A 13 14.311 5.705 -8.741 1.00 54.24 N ATOM 233 CA SER A 13 15.284 4.950 -7.961 1.00 72.34 C ATOM 234 C SER A 13 16.533 4.658 -8.787 1.00 70.32 C ATOM 235 O SER A 13 17.600 4.380 -8.241 1.00 43.33 O ATOM 236 CB SER A 13 14.667 3.639 -7.468 1.00 50.51 C ATOM 237 OG SER A 13 15.142 3.307 -6.175 1.00 42.11 O ATOM 0 H SER A 13 13.689 5.130 -9.309 1.00 54.24 H new ATOM 0 HA SER A 13 15.571 5.555 -7.101 1.00 72.34 H new ATOM 0 HB2 SER A 13 13.581 3.729 -7.448 1.00 50.51 H new ATOM 0 HB3 SER A 13 14.907 2.836 -8.165 1.00 50.51 H new ATOM 0 HG SER A 13 14.732 2.467 -5.882 1.00 42.11 H new ATOM 243 N ALA A 14 16.391 4.723 -10.107 1.00 34.50 N ATOM 244 CA ALA A 14 17.507 4.467 -11.009 1.00 53.41 C ATOM 245 C ALA A 14 18.321 5.734 -11.247 1.00 1.51 C ATOM 246 O ALA A 14 19.488 5.671 -11.633 1.00 25.10 O ATOM 247 CB ALA A 14 17.000 3.908 -12.330 1.00 62.41 C ATOM 0 H ALA A 14 15.514 4.951 -10.575 1.00 34.50 H new ATOM 0 HA ALA A 14 18.159 3.729 -10.541 1.00 53.41 H new ATOM 0 HB1 ALA A 14 17.844 3.721 -12.994 1.00 62.41 H new ATOM 0 HB2 ALA A 14 16.467 2.974 -12.149 1.00 62.41 H new ATOM 0 HB3 ALA A 14 16.325 4.627 -12.794 1.00 62.41 H new ATOM 253 N PHE A 15 17.698 6.885 -11.015 1.00 1.14 N ATOM 254 CA PHE A 15 18.365 8.168 -11.205 1.00 61.23 C ATOM 255 C PHE A 15 19.202 8.532 -9.983 1.00 3.51 C ATOM 256 O PHE A 15 19.828 9.592 -9.939 1.00 73.03 O ATOM 257 CB PHE A 15 17.336 9.266 -11.479 1.00 14.33 C ATOM 258 CG PHE A 15 17.470 9.889 -12.839 1.00 23.02 C ATOM 259 CD1 PHE A 15 17.014 9.226 -13.967 1.00 11.31 C ATOM 260 CD2 PHE A 15 18.053 11.137 -12.989 1.00 53.13 C ATOM 261 CE1 PHE A 15 17.137 9.797 -15.220 1.00 24.13 C ATOM 262 CE2 PHE A 15 18.179 11.713 -14.240 1.00 34.14 C ATOM 263 CZ PHE A 15 17.719 11.042 -15.356 1.00 43.11 C ATOM 0 H PHE A 15 16.732 6.955 -10.695 1.00 1.14 H new ATOM 0 HA PHE A 15 19.029 8.080 -12.065 1.00 61.23 H new ATOM 0 HB2 PHE A 15 16.335 8.848 -11.377 1.00 14.33 H new ATOM 0 HB3 PHE A 15 17.435 10.043 -10.721 1.00 14.33 H new ATOM 0 HD1 PHE A 15 16.557 8.252 -13.866 1.00 11.31 H new ATOM 0 HD2 PHE A 15 18.413 11.666 -12.119 1.00 53.13 H new ATOM 0 HE1 PHE A 15 16.778 9.270 -16.092 1.00 24.13 H new ATOM 0 HE2 PHE A 15 18.636 12.686 -14.344 1.00 34.14 H new ATOM 0 HZ PHE A 15 17.814 11.490 -16.334 1.00 43.11 H new ATOM 273 N ARG A 16 19.208 7.647 -8.992 1.00 2.23 N ATOM 274 CA ARG A 16 19.966 7.876 -7.768 1.00 24.14 C ATOM 275 C ARG A 16 21.124 6.888 -7.653 1.00 12.35 C ATOM 276 O ARG A 16 22.244 7.266 -7.311 1.00 33.33 O ATOM 277 CB ARG A 16 19.053 7.753 -6.546 1.00 63.54 C ATOM 278 CG ARG A 16 19.139 8.938 -5.600 1.00 1.45 C ATOM 279 CD ARG A 16 17.891 9.804 -5.676 1.00 31.42 C ATOM 280 NE ARG A 16 17.753 10.451 -6.977 1.00 54.35 N ATOM 281 CZ ARG A 16 18.443 11.527 -7.340 1.00 61.44 C ATOM 282 NH1 ARG A 16 19.316 12.072 -6.504 1.00 73.51 N ATOM 283 NH2 ARG A 16 18.262 12.059 -8.542 1.00 74.43 N ATOM 0 H ARG A 16 18.697 6.765 -9.013 1.00 2.23 H new ATOM 0 HA ARG A 16 20.375 8.886 -7.807 1.00 24.14 H new ATOM 0 HB2 ARG A 16 18.022 7.642 -6.883 1.00 63.54 H new ATOM 0 HB3 ARG A 16 19.310 6.845 -6.001 1.00 63.54 H new ATOM 0 HG2 ARG A 16 19.274 8.581 -4.579 1.00 1.45 H new ATOM 0 HG3 ARG A 16 20.015 9.538 -5.846 1.00 1.45 H new ATOM 0 HD2 ARG A 16 17.011 9.190 -5.481 1.00 31.42 H new ATOM 0 HD3 ARG A 16 17.929 10.564 -4.895 1.00 31.42 H new ATOM 0 HE ARG A 16 17.091 10.055 -7.644 1.00 54.35 H new ATOM 0 HH11 ARG A 16 19.459 11.665 -5.580 1.00 73.51 H new ATOM 0 HH12 ARG A 16 19.844 12.898 -6.785 1.00 73.51 H new ATOM 0 HH21 ARG A 16 17.592 11.642 -9.189 1.00 74.43 H new ATOM 0 HH22 ARG A 16 18.792 12.885 -8.819 1.00 74.43 H new ATOM 297 N GLY A 17 20.844 5.620 -7.940 1.00 44.52 N ATOM 298 CA GLY A 17 21.872 4.598 -7.862 1.00 54.44 C ATOM 299 C GLY A 17 22.608 4.415 -9.175 1.00 12.13 C ATOM 300 O GLY A 17 23.290 3.411 -9.377 1.00 72.54 O ATOM 0 H GLY A 17 19.925 5.283 -8.225 1.00 44.52 H new ATOM 0 HA2 GLY A 17 22.586 4.864 -7.083 1.00 54.44 H new ATOM 0 HA3 GLY A 17 21.418 3.652 -7.569 1.00 54.44 H new ATOM 304 N VAL A 18 22.469 5.388 -10.070 1.00 70.32 N ATOM 305 CA VAL A 18 23.126 5.329 -11.371 1.00 12.14 C ATOM 306 C VAL A 18 23.562 6.716 -11.829 1.00 55.22 C ATOM 307 O VAL A 18 23.941 6.907 -12.984 1.00 43.30 O ATOM 308 CB VAL A 18 22.202 4.714 -12.439 1.00 22.13 C ATOM 309 CG1 VAL A 18 23.005 4.293 -13.660 1.00 74.33 C ATOM 310 CG2 VAL A 18 21.434 3.534 -11.862 1.00 51.15 C ATOM 0 H VAL A 18 21.908 6.226 -9.918 1.00 70.32 H new ATOM 0 HA VAL A 18 24.005 4.695 -11.254 1.00 12.14 H new ATOM 0 HB VAL A 18 21.481 5.470 -12.751 1.00 22.13 H new ATOM 0 HG11 VAL A 18 22.336 3.861 -14.404 1.00 74.33 H new ATOM 0 HG12 VAL A 18 23.506 5.163 -14.084 1.00 74.33 H new ATOM 0 HG13 VAL A 18 23.750 3.553 -13.368 1.00 74.33 H new ATOM 0 HG21 VAL A 18 20.786 3.111 -12.630 1.00 51.15 H new ATOM 0 HG22 VAL A 18 22.137 2.774 -11.522 1.00 51.15 H new ATOM 0 HG23 VAL A 18 20.828 3.871 -11.021 1.00 51.15 H new ATOM 320 N GLN A 19 23.504 7.680 -10.916 1.00 41.42 N ATOM 321 CA GLN A 19 23.893 9.051 -11.228 1.00 20.33 C ATOM 322 C GLN A 19 24.786 9.625 -10.133 1.00 11.41 C ATOM 323 O GLN A 19 26.000 9.741 -10.304 1.00 62.03 O ATOM 324 CB GLN A 19 22.652 9.928 -11.403 1.00 63.03 C ATOM 325 CG GLN A 19 22.973 11.392 -11.658 1.00 23.11 C ATOM 326 CD GLN A 19 22.464 12.301 -10.557 1.00 4.04 C ATOM 327 OE1 GLN A 19 23.245 12.958 -9.868 1.00 4.03 O ATOM 328 NE2 GLN A 19 21.148 12.344 -10.385 1.00 24.12 N ATOM 0 H GLN A 19 23.192 7.538 -9.955 1.00 41.42 H new ATOM 0 HA GLN A 19 24.455 9.040 -12.162 1.00 20.33 H new ATOM 0 HB2 GLN A 19 22.060 9.544 -12.234 1.00 63.03 H new ATOM 0 HB3 GLN A 19 22.033 9.851 -10.509 1.00 63.03 H new ATOM 0 HG2 GLN A 19 24.052 11.512 -11.753 1.00 23.11 H new ATOM 0 HG3 GLN A 19 22.533 11.696 -12.608 1.00 23.11 H new ATOM 0 HE21 GLN A 19 20.537 11.783 -10.979 1.00 24.12 H new ATOM 0 HE22 GLN A 19 20.748 12.938 -9.659 1.00 24.12 H new ATOM 337 N LEU A 20 24.177 9.985 -9.008 1.00 63.31 N ATOM 338 CA LEU A 20 24.917 10.548 -7.884 1.00 42.32 C ATOM 339 C LEU A 20 25.679 9.461 -7.134 1.00 23.22 C ATOM 340 O LEU A 20 26.593 9.748 -6.360 1.00 42.30 O ATOM 341 CB LEU A 20 23.963 11.269 -6.930 1.00 42.22 C ATOM 342 CG LEU A 20 24.336 12.707 -6.569 1.00 14.55 C ATOM 343 CD1 LEU A 20 23.132 13.444 -6.001 1.00 61.11 C ATOM 344 CD2 LEU A 20 25.490 12.726 -5.578 1.00 5.33 C ATOM 0 H LEU A 20 23.173 9.897 -8.850 1.00 63.31 H new ATOM 0 HA LEU A 20 25.638 11.265 -8.278 1.00 42.32 H new ATOM 0 HB2 LEU A 20 22.969 11.274 -7.377 1.00 42.22 H new ATOM 0 HB3 LEU A 20 23.896 10.690 -6.009 1.00 42.22 H new ATOM 0 HG LEU A 20 24.655 13.218 -7.477 1.00 14.55 H new ATOM 0 HD11 LEU A 20 23.416 14.466 -5.750 1.00 61.11 H new ATOM 0 HD12 LEU A 20 22.333 13.461 -6.742 1.00 61.11 H new ATOM 0 HD13 LEU A 20 22.783 12.933 -5.103 1.00 61.11 H new ATOM 0 HD21 LEU A 20 25.742 13.758 -5.333 1.00 5.33 H new ATOM 0 HD22 LEU A 20 25.199 12.198 -4.670 1.00 5.33 H new ATOM 0 HD23 LEU A 20 26.357 12.236 -6.020 1.00 5.33 H new ATOM 356 N THR A 21 25.299 8.209 -7.369 1.00 72.21 N ATOM 357 CA THR A 21 25.946 7.078 -6.717 1.00 23.22 C ATOM 358 C THR A 21 26.819 6.303 -7.698 1.00 11.13 C ATOM 359 O THR A 21 27.761 5.618 -7.299 1.00 11.24 O ATOM 360 CB THR A 21 24.912 6.118 -6.099 1.00 0.12 C ATOM 361 OG1 THR A 21 23.925 6.861 -5.375 1.00 41.51 O ATOM 362 CG2 THR A 21 25.587 5.121 -5.168 1.00 52.53 C ATOM 0 H THR A 21 24.545 7.953 -8.007 1.00 72.21 H new ATOM 0 HA THR A 21 26.571 7.487 -5.923 1.00 23.22 H new ATOM 0 HB THR A 21 24.431 5.568 -6.908 1.00 0.12 H new ATOM 0 HG1 THR A 21 23.285 7.254 -6.004 1.00 41.51 H new ATOM 0 HG21 THR A 21 24.837 4.454 -4.744 1.00 52.53 H new ATOM 0 HG22 THR A 21 26.317 4.537 -5.728 1.00 52.53 H new ATOM 0 HG23 THR A 21 26.091 5.658 -4.364 1.00 52.53 H new ATOM 370 N TYR A 22 26.500 6.416 -8.982 1.00 44.33 N ATOM 371 CA TYR A 22 27.255 5.725 -10.021 1.00 31.33 C ATOM 372 C TYR A 22 28.730 6.109 -9.970 1.00 3.51 C ATOM 373 O TYR A 22 29.609 5.256 -10.087 1.00 3.35 O ATOM 374 CB TYR A 22 26.679 6.049 -11.400 1.00 61.53 C ATOM 375 CG TYR A 22 27.573 5.625 -12.544 1.00 50.30 C ATOM 376 CD1 TYR A 22 27.969 4.301 -12.688 1.00 42.34 C ATOM 377 CD2 TYR A 22 28.022 6.549 -13.480 1.00 0.15 C ATOM 378 CE1 TYR A 22 28.786 3.910 -13.731 1.00 64.04 C ATOM 379 CE2 TYR A 22 28.838 6.167 -14.526 1.00 61.44 C ATOM 380 CZ TYR A 22 29.218 4.846 -14.648 1.00 13.11 C ATOM 381 OH TYR A 22 30.032 4.461 -15.689 1.00 13.34 O ATOM 0 H TYR A 22 25.724 6.979 -9.329 1.00 44.33 H new ATOM 0 HA TYR A 22 27.172 4.653 -9.843 1.00 31.33 H new ATOM 0 HB2 TYR A 22 25.711 5.558 -11.505 1.00 61.53 H new ATOM 0 HB3 TYR A 22 26.501 7.122 -11.467 1.00 61.53 H new ATOM 0 HD1 TYR A 22 27.632 3.565 -11.973 1.00 42.34 H new ATOM 0 HD2 TYR A 22 27.727 7.584 -13.387 1.00 0.15 H new ATOM 0 HE1 TYR A 22 29.085 2.877 -13.828 1.00 64.04 H new ATOM 0 HE2 TYR A 22 29.177 6.898 -15.245 1.00 61.44 H new ATOM 0 HH TYR A 22 30.244 5.240 -16.244 1.00 13.34 H new ATOM 391 N GLU A 23 28.993 7.401 -9.794 1.00 73.22 N ATOM 392 CA GLU A 23 30.361 7.899 -9.728 1.00 4.50 C ATOM 393 C GLU A 23 31.180 7.109 -8.711 1.00 13.21 C ATOM 394 O GLU A 23 30.683 6.749 -7.643 1.00 61.42 O ATOM 395 CB GLU A 23 30.369 9.385 -9.362 1.00 3.14 C ATOM 396 CG GLU A 23 31.044 10.265 -10.401 1.00 23.54 C ATOM 397 CD GLU A 23 31.738 11.465 -9.787 1.00 12.31 C ATOM 398 OE1 GLU A 23 32.334 11.315 -8.700 1.00 12.51 O ATOM 399 OE2 GLU A 23 31.684 12.555 -10.395 1.00 5.14 O ATOM 0 H GLU A 23 28.277 8.120 -9.695 1.00 73.22 H new ATOM 0 HA GLU A 23 30.814 7.771 -10.711 1.00 4.50 H new ATOM 0 HB2 GLU A 23 29.342 9.722 -9.225 1.00 3.14 H new ATOM 0 HB3 GLU A 23 30.876 9.512 -8.406 1.00 3.14 H new ATOM 0 HG2 GLU A 23 31.772 9.673 -10.955 1.00 23.54 H new ATOM 0 HG3 GLU A 23 30.300 10.609 -11.119 1.00 23.54 H new ATOM 406 N HIS A 24 32.437 6.843 -9.050 1.00 70.34 N ATOM 407 CA HIS A 24 33.325 6.095 -8.167 1.00 42.15 C ATOM 408 C HIS A 24 34.711 5.949 -8.788 1.00 4.20 C ATOM 409 O HIS A 24 35.726 6.179 -8.129 1.00 41.21 O ATOM 410 CB HIS A 24 32.739 4.715 -7.870 1.00 22.44 C ATOM 411 CG HIS A 24 32.660 4.400 -6.407 1.00 44.24 C ATOM 412 ND1 HIS A 24 31.872 5.110 -5.526 1.00 41.04 N ATOM 413 CD2 HIS A 24 33.276 3.444 -5.673 1.00 52.10 C ATOM 414 CE1 HIS A 24 32.007 4.605 -4.313 1.00 45.41 C ATOM 415 NE2 HIS A 24 32.854 3.593 -4.375 1.00 35.02 N ATOM 0 H HIS A 24 32.864 7.134 -9.929 1.00 70.34 H new ATOM 0 HA HIS A 24 33.421 6.649 -7.233 1.00 42.15 H new ATOM 0 HB2 HIS A 24 31.740 4.653 -8.301 1.00 22.44 H new ATOM 0 HB3 HIS A 24 33.347 3.957 -8.364 1.00 22.44 H new ATOM 0 HD1 HIS A 24 31.278 5.901 -5.772 1.00 41.04 H new ATOM 0 HD2 HIS A 24 33.970 2.702 -6.040 1.00 52.10 H new ATOM 0 HE1 HIS A 24 31.510 4.959 -3.422 1.00 45.41 H new ATOM 423 N THR A 25 34.748 5.565 -10.060 1.00 73.41 N ATOM 424 CA THR A 25 36.009 5.386 -10.769 1.00 14.11 C ATOM 425 C THR A 25 35.893 5.840 -12.219 1.00 50.44 C ATOM 426 O THR A 25 36.794 6.489 -12.750 1.00 65.52 O ATOM 427 CB THR A 25 36.467 3.916 -10.738 1.00 71.14 C ATOM 428 OG1 THR A 25 35.330 3.050 -10.651 1.00 72.12 O ATOM 429 CG2 THR A 25 37.395 3.663 -9.560 1.00 30.21 C ATOM 0 H THR A 25 33.918 5.372 -10.621 1.00 73.41 H new ATOM 0 HA THR A 25 36.750 6.000 -10.257 1.00 14.11 H new ATOM 0 HB THR A 25 37.011 3.709 -11.660 1.00 71.14 H new ATOM 0 HG1 THR A 25 35.630 2.117 -10.634 1.00 72.12 H new ATOM 0 HG21 THR A 25 37.705 2.618 -9.559 1.00 30.21 H new ATOM 0 HG22 THR A 25 38.274 4.302 -9.645 1.00 30.21 H new ATOM 0 HG23 THR A 25 36.872 3.887 -8.630 1.00 30.21 H new ATOM 437 N MET A 26 34.778 5.497 -12.855 1.00 73.22 N ATOM 438 CA MET A 26 34.544 5.872 -14.245 1.00 62.10 C ATOM 439 C MET A 26 34.359 7.380 -14.377 1.00 43.23 C ATOM 440 O MET A 26 35.216 8.075 -14.925 1.00 2.31 O ATOM 441 CB MET A 26 33.314 5.146 -14.792 1.00 32.52 C ATOM 442 CG MET A 26 33.592 3.712 -15.213 1.00 33.42 C ATOM 443 SD MET A 26 33.553 2.560 -13.826 1.00 11.55 S ATOM 444 CE MET A 26 35.245 1.972 -13.826 1.00 74.04 C ATOM 0 H MET A 26 34.022 4.960 -12.430 1.00 73.22 H new ATOM 0 HA MET A 26 35.418 5.578 -14.826 1.00 62.10 H new ATOM 0 HB2 MET A 26 32.533 5.148 -14.032 1.00 32.52 H new ATOM 0 HB3 MET A 26 32.927 5.699 -15.648 1.00 32.52 H new ATOM 0 HG2 MET A 26 32.855 3.406 -15.955 1.00 33.42 H new ATOM 0 HG3 MET A 26 34.569 3.662 -15.695 1.00 33.42 H new ATOM 0 HE1 MET A 26 35.379 1.249 -13.021 1.00 74.04 H new ATOM 0 HE2 MET A 26 35.465 1.496 -14.782 1.00 74.04 H new ATOM 0 HE3 MET A 26 35.922 2.813 -13.675 1.00 74.04 H new ATOM 454 N LEU A 27 33.237 7.880 -13.873 1.00 55.44 N ATOM 455 CA LEU A 27 32.939 9.307 -13.936 1.00 1.34 C ATOM 456 C LEU A 27 33.676 10.066 -12.837 1.00 24.44 C ATOM 457 O LEU A 27 33.898 11.271 -12.944 1.00 2.34 O ATOM 458 CB LEU A 27 31.433 9.540 -13.809 1.00 55.23 C ATOM 459 CG LEU A 27 30.962 10.988 -13.958 1.00 63.53 C ATOM 460 CD1 LEU A 27 31.224 11.491 -15.369 1.00 51.22 C ATOM 461 CD2 LEU A 27 29.485 11.107 -13.613 1.00 21.42 C ATOM 0 H LEU A 27 32.518 7.319 -13.416 1.00 55.44 H new ATOM 0 HA LEU A 27 33.278 9.681 -14.902 1.00 1.34 H new ATOM 0 HB2 LEU A 27 30.927 8.935 -14.562 1.00 55.23 H new ATOM 0 HB3 LEU A 27 31.110 9.172 -12.835 1.00 55.23 H new ATOM 0 HG LEU A 27 31.528 11.608 -13.262 1.00 63.53 H new ATOM 0 HD11 LEU A 27 30.883 12.522 -15.457 1.00 51.22 H new ATOM 0 HD12 LEU A 27 32.292 11.443 -15.580 1.00 51.22 H new ATOM 0 HD13 LEU A 27 30.685 10.868 -16.083 1.00 51.22 H new ATOM 0 HD21 LEU A 27 29.168 12.144 -13.725 1.00 21.42 H new ATOM 0 HD22 LEU A 27 28.903 10.475 -14.284 1.00 21.42 H new ATOM 0 HD23 LEU A 27 29.325 10.787 -12.583 1.00 21.42 H new ATOM 473 N GLN A 28 34.055 9.350 -11.782 1.00 72.15 N ATOM 474 CA GLN A 28 34.769 9.956 -10.665 1.00 33.12 C ATOM 475 C GLN A 28 35.984 10.737 -11.154 1.00 54.32 C ATOM 476 O GLN A 28 36.232 11.860 -10.714 1.00 54.24 O ATOM 477 CB GLN A 28 35.207 8.881 -9.669 1.00 35.33 C ATOM 478 CG GLN A 28 36.053 9.418 -8.526 1.00 41.22 C ATOM 479 CD GLN A 28 37.472 8.885 -8.550 1.00 32.42 C ATOM 480 OE1 GLN A 28 38.101 8.808 -9.605 1.00 41.25 O ATOM 481 NE2 GLN A 28 37.984 8.512 -7.383 1.00 32.33 N ATOM 0 H GLN A 28 33.879 8.351 -11.678 1.00 72.15 H new ATOM 0 HA GLN A 28 34.091 10.649 -10.167 1.00 33.12 H new ATOM 0 HB2 GLN A 28 34.322 8.396 -9.258 1.00 35.33 H new ATOM 0 HB3 GLN A 28 35.772 8.115 -10.200 1.00 35.33 H new ATOM 0 HG2 GLN A 28 36.077 10.507 -8.577 1.00 41.22 H new ATOM 0 HG3 GLN A 28 35.586 9.153 -7.578 1.00 41.22 H new ATOM 0 HE21 GLN A 28 37.427 8.593 -6.532 1.00 32.33 H new ATOM 0 HE22 GLN A 28 38.934 8.144 -7.337 1.00 32.33 H new ATOM 490 N LYS A 29 36.739 10.136 -12.067 1.00 40.01 N ATOM 491 CA LYS A 29 37.928 10.775 -12.618 1.00 63.21 C ATOM 492 C LYS A 29 37.768 11.025 -14.114 1.00 61.53 C ATOM 493 O LYS A 29 38.391 11.927 -14.674 1.00 11.10 O ATOM 494 CB LYS A 29 39.163 9.907 -12.364 1.00 74.54 C ATOM 495 CG LYS A 29 40.087 10.461 -11.294 1.00 34.31 C ATOM 496 CD LYS A 29 40.966 9.374 -10.699 1.00 34.45 C ATOM 497 CE LYS A 29 41.385 9.712 -9.276 1.00 54.21 C ATOM 498 NZ LYS A 29 42.419 10.783 -9.243 1.00 11.13 N ATOM 0 H LYS A 29 36.548 9.206 -12.441 1.00 40.01 H new ATOM 0 HA LYS A 29 38.058 11.735 -12.119 1.00 63.21 H new ATOM 0 HB2 LYS A 29 38.840 8.908 -12.071 1.00 74.54 H new ATOM 0 HB3 LYS A 29 39.721 9.802 -13.295 1.00 74.54 H new ATOM 0 HG2 LYS A 29 40.714 11.243 -11.723 1.00 34.31 H new ATOM 0 HG3 LYS A 29 39.495 10.924 -10.505 1.00 34.31 H new ATOM 0 HD2 LYS A 29 40.428 8.426 -10.706 1.00 34.45 H new ATOM 0 HD3 LYS A 29 41.853 9.242 -11.319 1.00 34.45 H new ATOM 0 HE2 LYS A 29 40.512 10.032 -8.707 1.00 54.21 H new ATOM 0 HE3 LYS A 29 41.773 8.817 -8.789 1.00 54.21 H new ATOM 0 HZ1 LYS A 29 42.678 10.985 -8.256 1.00 11.13 H new ATOM 0 HZ2 LYS A 29 43.262 10.468 -9.765 1.00 11.13 H new ATOM 0 HZ3 LYS A 29 42.040 11.645 -9.685 1.00 11.13 H new ATOM 512 N LYS A 30 36.928 10.220 -14.757 1.00 41.30 N ATOM 513 CA LYS A 30 36.683 10.355 -16.188 1.00 41.01 C ATOM 514 C LYS A 30 37.961 10.110 -16.984 1.00 72.23 C ATOM 515 O LYS A 30 38.052 9.149 -17.749 1.00 44.22 O ATOM 516 CB LYS A 30 36.133 11.748 -16.503 1.00 74.32 C ATOM 517 CG LYS A 30 34.944 12.141 -15.643 1.00 21.11 C ATOM 518 CD LYS A 30 35.330 13.173 -14.597 1.00 2.03 C ATOM 519 CE LYS A 30 34.133 14.009 -14.170 1.00 62.20 C ATOM 520 NZ LYS A 30 34.402 14.762 -12.914 1.00 20.23 N ATOM 0 H LYS A 30 36.405 9.467 -14.309 1.00 41.30 H new ATOM 0 HA LYS A 30 35.946 9.606 -16.477 1.00 41.01 H new ATOM 0 HB2 LYS A 30 36.927 12.482 -16.368 1.00 74.32 H new ATOM 0 HB3 LYS A 30 35.840 11.785 -17.552 1.00 74.32 H new ATOM 0 HG2 LYS A 30 34.152 12.542 -16.276 1.00 21.11 H new ATOM 0 HG3 LYS A 30 34.541 11.256 -15.151 1.00 21.11 H new ATOM 0 HD2 LYS A 30 35.753 12.670 -13.727 1.00 2.03 H new ATOM 0 HD3 LYS A 30 36.106 13.825 -14.997 1.00 2.03 H new ATOM 0 HE2 LYS A 30 33.877 14.709 -14.965 1.00 62.20 H new ATOM 0 HE3 LYS A 30 33.269 13.360 -14.026 1.00 62.20 H new ATOM 0 HZ1 LYS A 30 33.562 15.319 -12.657 1.00 20.23 H new ATOM 0 HZ2 LYS A 30 34.622 14.093 -12.149 1.00 20.23 H new ATOM 0 HZ3 LYS A 30 35.210 15.401 -13.058 1.00 20.23 H new TER 534 LYS A 30