USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -2.43 K(o=-1.7,f=-2.6!) USER MOD Set 1.2: A 25 THR OG1 : rot 50:sc= 0.68 USER MOD Single : A 1 LYS N :NH3+ 167:sc= -0.0451 (180deg=-0.266) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.29 K(o=-1.3,f=-1.8) USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.06 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0301 K(o=-0.03,f=-0.8) 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 1.023 4.267 0.952 1.00 71.41 N ATOM 2 CA LYS A 1 0.166 3.353 0.205 1.00 2.11 C ATOM 3 C LYS A 1 -0.457 4.053 -0.999 1.00 25.23 C ATOM 4 O LYS A 1 -1.557 3.708 -1.430 1.00 62.51 O ATOM 5 CB LYS A 1 -0.935 2.798 1.112 1.00 63.14 C ATOM 6 CG LYS A 1 -1.210 1.320 0.898 1.00 33.51 C ATOM 7 CD LYS A 1 -2.377 0.842 1.746 1.00 21.44 C ATOM 8 CE LYS A 1 -1.900 0.212 3.046 1.00 2.54 C ATOM 9 NZ LYS A 1 -2.899 0.371 4.139 1.00 74.02 N ATOM 0 H1 LYS A 1 1.258 3.847 1.874 1.00 71.41 H new ATOM 0 H2 LYS A 1 1.898 4.438 0.416 1.00 71.41 H new ATOM 0 H3 LYS A 1 0.525 5.168 1.099 1.00 71.41 H new ATOM 0 HA LYS A 1 0.782 2.529 -0.155 1.00 2.11 H new ATOM 0 HB2 LYS A 1 -0.653 2.960 2.152 1.00 63.14 H new ATOM 0 HB3 LYS A 1 -1.854 3.359 0.940 1.00 63.14 H new ATOM 0 HG2 LYS A 1 -1.425 1.138 -0.155 1.00 33.51 H new ATOM 0 HG3 LYS A 1 -0.319 0.743 1.146 1.00 33.51 H new ATOM 0 HD2 LYS A 1 -3.035 1.682 1.968 1.00 21.44 H new ATOM 0 HD3 LYS A 1 -2.964 0.117 1.183 1.00 21.44 H new ATOM 0 HE2 LYS A 1 -1.703 -0.848 2.885 1.00 2.54 H new ATOM 0 HE3 LYS A 1 -0.957 0.669 3.346 1.00 2.54 H new ATOM 0 HZ1 LYS A 1 -2.537 -0.071 5.008 1.00 74.02 H new ATOM 0 HZ2 LYS A 1 -3.068 1.383 4.310 1.00 74.02 H new ATOM 0 HZ3 LYS A 1 -3.791 -0.087 3.863 1.00 74.02 H new ATOM 23 N LYS A 2 0.254 5.037 -1.538 1.00 44.13 N ATOM 24 CA LYS A 2 -0.226 5.784 -2.694 1.00 55.14 C ATOM 25 C LYS A 2 0.895 6.006 -3.704 1.00 4.12 C ATOM 26 O LYS A 2 0.928 7.024 -4.395 1.00 43.14 O ATOM 27 CB LYS A 2 -0.804 7.131 -2.253 1.00 43.01 C ATOM 28 CG LYS A 2 -2.207 7.033 -1.681 1.00 54.12 C ATOM 29 CD LYS A 2 -3.240 6.807 -2.773 1.00 1.12 C ATOM 30 CE LYS A 2 -4.095 5.582 -2.486 1.00 42.15 C ATOM 31 NZ LYS A 2 -5.488 5.749 -2.986 1.00 22.22 N ATOM 0 H LYS A 2 1.166 5.336 -1.192 1.00 44.13 H new ATOM 0 HA LYS A 2 -1.011 5.198 -3.173 1.00 55.14 H new ATOM 0 HB2 LYS A 2 -0.146 7.572 -1.504 1.00 43.01 H new ATOM 0 HB3 LYS A 2 -0.815 7.809 -3.106 1.00 43.01 H new ATOM 0 HG2 LYS A 2 -2.251 6.215 -0.962 1.00 54.12 H new ATOM 0 HG3 LYS A 2 -2.444 7.948 -1.138 1.00 54.12 H new ATOM 0 HD2 LYS A 2 -3.879 7.686 -2.859 1.00 1.12 H new ATOM 0 HD3 LYS A 2 -2.737 6.684 -3.732 1.00 1.12 H new ATOM 0 HE2 LYS A 2 -3.644 4.707 -2.953 1.00 42.15 H new ATOM 0 HE3 LYS A 2 -4.114 5.396 -1.412 1.00 42.15 H new ATOM 0 HZ1 LYS A 2 -6.039 4.893 -2.771 1.00 22.22 H new ATOM 0 HZ2 LYS A 2 -5.928 6.569 -2.522 1.00 22.22 H new ATOM 0 HZ3 LYS A 2 -5.472 5.901 -4.015 1.00 22.22 H new ATOM 45 N ARG A 3 1.812 5.047 -3.784 1.00 32.13 N ATOM 46 CA ARG A 3 2.935 5.138 -4.709 1.00 13.20 C ATOM 47 C ARG A 3 2.532 4.660 -6.101 1.00 64.00 C ATOM 48 O ARG A 3 3.109 5.082 -7.104 1.00 74.20 O ATOM 49 CB ARG A 3 4.115 4.311 -4.195 1.00 52.33 C ATOM 50 CG ARG A 3 4.739 4.864 -2.924 1.00 54.33 C ATOM 51 CD ARG A 3 6.046 4.161 -2.594 1.00 11.41 C ATOM 52 NE ARG A 3 6.252 4.037 -1.153 1.00 53.24 N ATOM 53 CZ ARG A 3 7.080 3.157 -0.603 1.00 31.34 C ATOM 54 NH1 ARG A 3 7.776 2.328 -1.368 1.00 24.10 N ATOM 55 NH2 ARG A 3 7.213 3.104 0.717 1.00 41.54 N ATOM 0 H ARG A 3 1.799 4.198 -3.219 1.00 32.13 H new ATOM 0 HA ARG A 3 3.235 6.184 -4.776 1.00 13.20 H new ATOM 0 HB2 ARG A 3 3.779 3.290 -4.011 1.00 52.33 H new ATOM 0 HB3 ARG A 3 4.878 4.260 -4.972 1.00 52.33 H new ATOM 0 HG2 ARG A 3 4.919 5.933 -3.041 1.00 54.33 H new ATOM 0 HG3 ARG A 3 4.042 4.747 -2.094 1.00 54.33 H new ATOM 0 HD2 ARG A 3 6.049 3.170 -3.047 1.00 11.41 H new ATOM 0 HD3 ARG A 3 6.876 4.715 -3.033 1.00 11.41 H new ATOM 0 HE ARG A 3 5.731 4.660 -0.536 1.00 53.24 H new ATOM 0 HH11 ARG A 3 7.676 2.365 -2.382 1.00 24.10 H new ATOM 0 HH12 ARG A 3 8.411 1.653 -0.942 1.00 24.10 H new ATOM 0 HH21 ARG A 3 6.679 3.740 1.309 1.00 41.54 H new ATOM 0 HH22 ARG A 3 7.849 2.428 1.139 1.00 41.54 H new ATOM 69 N TYR A 4 1.541 3.777 -6.154 1.00 1.40 N ATOM 70 CA TYR A 4 1.064 3.239 -7.422 1.00 53.43 C ATOM 71 C TYR A 4 -0.266 3.874 -7.817 1.00 40.55 C ATOM 72 O TYR A 4 -1.144 3.212 -8.371 1.00 45.24 O ATOM 73 CB TYR A 4 0.909 1.720 -7.330 1.00 13.50 C ATOM 74 CG TYR A 4 2.172 1.008 -6.903 1.00 60.32 C ATOM 75 CD1 TYR A 4 3.402 1.340 -7.457 1.00 71.04 C ATOM 76 CD2 TYR A 4 2.136 0.002 -5.945 1.00 14.33 C ATOM 77 CE1 TYR A 4 4.558 0.691 -7.071 1.00 24.21 C ATOM 78 CE2 TYR A 4 3.287 -0.651 -5.551 1.00 23.30 C ATOM 79 CZ TYR A 4 4.496 -0.304 -6.117 1.00 40.13 C ATOM 80 OH TYR A 4 5.646 -0.952 -5.729 1.00 10.04 O ATOM 0 H TYR A 4 1.053 3.419 -5.333 1.00 1.40 H new ATOM 0 HA TYR A 4 1.802 3.476 -8.189 1.00 53.43 H new ATOM 0 HB2 TYR A 4 0.113 1.486 -6.623 1.00 13.50 H new ATOM 0 HB3 TYR A 4 0.596 1.336 -8.301 1.00 13.50 H new ATOM 0 HD1 TYR A 4 3.455 2.119 -8.203 1.00 71.04 H new ATOM 0 HD2 TYR A 4 1.191 -0.274 -5.501 1.00 14.33 H new ATOM 0 HE1 TYR A 4 5.506 0.961 -7.513 1.00 24.21 H new ATOM 0 HE2 TYR A 4 3.241 -1.429 -4.804 1.00 23.30 H new ATOM 0 HH TYR A 4 5.429 -1.624 -5.049 1.00 10.04 H new ATOM 90 N VAL A 5 -0.407 5.164 -7.529 1.00 12.33 N ATOM 91 CA VAL A 5 -1.628 5.891 -7.855 1.00 12.54 C ATOM 92 C VAL A 5 -1.326 7.344 -8.206 1.00 23.14 C ATOM 93 O VAL A 5 -1.780 7.853 -9.230 1.00 0.24 O ATOM 94 CB VAL A 5 -2.632 5.855 -6.687 1.00 3.32 C ATOM 95 CG1 VAL A 5 -3.936 6.530 -7.082 1.00 52.23 C ATOM 96 CG2 VAL A 5 -2.877 4.422 -6.240 1.00 75.03 C ATOM 0 H VAL A 5 0.309 5.727 -7.071 1.00 12.33 H new ATOM 0 HA VAL A 5 -2.070 5.395 -8.720 1.00 12.54 H new ATOM 0 HB VAL A 5 -2.207 6.405 -5.848 1.00 3.32 H new ATOM 0 HG11 VAL A 5 -4.632 6.495 -6.244 1.00 52.23 H new ATOM 0 HG12 VAL A 5 -3.742 7.569 -7.349 1.00 52.23 H new ATOM 0 HG13 VAL A 5 -4.370 6.011 -7.937 1.00 52.23 H new ATOM 0 HG21 VAL A 5 -3.589 4.415 -5.414 1.00 75.03 H new ATOM 0 HG22 VAL A 5 -3.281 3.845 -7.072 1.00 75.03 H new ATOM 0 HG23 VAL A 5 -1.937 3.977 -5.913 1.00 75.03 H new ATOM 106 N ALA A 6 -0.555 8.006 -7.349 1.00 20.22 N ATOM 107 CA ALA A 6 -0.189 9.399 -7.569 1.00 53.44 C ATOM 108 C ALA A 6 1.165 9.509 -8.262 1.00 73.43 C ATOM 109 O ALA A 6 1.846 10.528 -8.157 1.00 54.34 O ATOM 110 CB ALA A 6 -0.171 10.156 -6.249 1.00 73.33 C ATOM 0 H ALA A 6 -0.172 7.599 -6.496 1.00 20.22 H new ATOM 0 HA ALA A 6 -0.939 9.846 -8.221 1.00 53.44 H new ATOM 0 HB1 ALA A 6 0.104 11.195 -6.429 1.00 73.33 H new ATOM 0 HB2 ALA A 6 -1.160 10.116 -5.793 1.00 73.33 H new ATOM 0 HB3 ALA A 6 0.556 9.699 -5.578 1.00 73.33 H new ATOM 116 N MET A 7 1.549 8.451 -8.970 1.00 2.23 N ATOM 117 CA MET A 7 2.823 8.429 -9.680 1.00 55.52 C ATOM 118 C MET A 7 2.738 7.547 -10.921 1.00 74.23 C ATOM 119 O MET A 7 3.755 7.082 -11.435 1.00 71.53 O ATOM 120 CB MET A 7 3.937 7.928 -8.759 1.00 55.50 C ATOM 121 CG MET A 7 4.401 8.964 -7.748 1.00 41.32 C ATOM 122 SD MET A 7 5.791 8.389 -6.753 1.00 53.53 S ATOM 123 CE MET A 7 7.170 9.067 -7.674 1.00 74.23 C ATOM 0 H MET A 7 0.997 7.599 -9.067 1.00 2.23 H new ATOM 0 HA MET A 7 3.053 9.447 -9.994 1.00 55.52 H new ATOM 0 HB2 MET A 7 3.587 7.044 -8.226 1.00 55.50 H new ATOM 0 HB3 MET A 7 4.788 7.618 -9.366 1.00 55.50 H new ATOM 0 HG2 MET A 7 4.687 9.875 -8.273 1.00 41.32 H new ATOM 0 HG3 MET A 7 3.571 9.222 -7.091 1.00 41.32 H new ATOM 0 HE1 MET A 7 8.104 8.796 -7.182 1.00 74.23 H new ATOM 0 HE2 MET A 7 7.164 8.665 -8.687 1.00 74.23 H new ATOM 0 HE3 MET A 7 7.082 10.153 -7.714 1.00 74.23 H new ATOM 133 N VAL A 8 1.518 7.320 -11.398 1.00 73.42 N ATOM 134 CA VAL A 8 1.300 6.493 -12.580 1.00 4.24 C ATOM 135 C VAL A 8 0.513 7.251 -13.643 1.00 21.31 C ATOM 136 O VAL A 8 0.751 7.087 -14.840 1.00 4.41 O ATOM 137 CB VAL A 8 0.549 5.196 -12.227 1.00 14.13 C ATOM 138 CG1 VAL A 8 -0.800 5.514 -11.600 1.00 13.32 C ATOM 139 CG2 VAL A 8 0.379 4.326 -13.463 1.00 23.33 C ATOM 0 H VAL A 8 0.665 7.697 -10.984 1.00 73.42 H new ATOM 0 HA VAL A 8 2.284 6.238 -12.974 1.00 4.24 H new ATOM 0 HB VAL A 8 1.140 4.641 -11.498 1.00 14.13 H new ATOM 0 HG11 VAL A 8 -1.316 4.585 -11.357 1.00 13.32 H new ATOM 0 HG12 VAL A 8 -0.650 6.095 -10.690 1.00 13.32 H new ATOM 0 HG13 VAL A 8 -1.401 6.090 -12.303 1.00 13.32 H new ATOM 0 HG21 VAL A 8 -0.154 3.414 -13.195 1.00 23.33 H new ATOM 0 HG22 VAL A 8 -0.190 4.871 -14.216 1.00 23.33 H new ATOM 0 HG23 VAL A 8 1.359 4.069 -13.865 1.00 23.33 H new ATOM 149 N ILE A 9 -0.425 8.080 -13.198 1.00 31.31 N ATOM 150 CA ILE A 9 -1.247 8.864 -14.112 1.00 24.04 C ATOM 151 C ILE A 9 -0.632 10.237 -14.363 1.00 63.53 C ATOM 152 O ILE A 9 -0.865 10.851 -15.405 1.00 24.55 O ATOM 153 CB ILE A 9 -2.676 9.046 -13.568 1.00 50.21 C ATOM 154 CG1 ILE A 9 -3.250 7.701 -13.119 1.00 24.31 C ATOM 155 CG2 ILE A 9 -3.567 9.682 -14.624 1.00 73.05 C ATOM 156 CD1 ILE A 9 -4.648 7.800 -12.550 1.00 24.42 C ATOM 0 H ILE A 9 -0.635 8.226 -12.211 1.00 31.31 H new ATOM 0 HA ILE A 9 -1.292 8.311 -15.050 1.00 24.04 H new ATOM 0 HB ILE A 9 -2.638 9.710 -12.704 1.00 50.21 H new ATOM 0 HG12 ILE A 9 -3.260 7.018 -13.968 1.00 24.31 H new ATOM 0 HG13 ILE A 9 -2.591 7.266 -12.368 1.00 24.31 H new ATOM 0 HG21 ILE A 9 -4.574 9.804 -14.225 1.00 73.05 H new ATOM 0 HG22 ILE A 9 -3.165 10.657 -14.900 1.00 73.05 H new ATOM 0 HG23 ILE A 9 -3.601 9.041 -15.505 1.00 73.05 H new ATOM 0 HD11 ILE A 9 -4.991 6.809 -12.253 1.00 24.42 H new ATOM 0 HD12 ILE A 9 -4.641 8.458 -11.681 1.00 24.42 H new ATOM 0 HD13 ILE A 9 -5.321 8.205 -13.306 1.00 24.42 H new ATOM 168 N TRP A 10 0.155 10.711 -13.404 1.00 62.34 N ATOM 169 CA TRP A 10 0.806 12.011 -13.523 1.00 31.30 C ATOM 170 C TRP A 10 1.752 12.039 -14.718 1.00 71.13 C ATOM 171 O TRP A 10 1.607 12.867 -15.618 1.00 52.51 O ATOM 172 CB TRP A 10 1.574 12.338 -12.241 1.00 54.53 C ATOM 173 CG TRP A 10 0.783 13.160 -11.269 1.00 11.40 C ATOM 174 CD1 TRP A 10 1.066 14.428 -10.848 1.00 14.44 C ATOM 175 CD2 TRP A 10 -0.419 12.770 -10.596 1.00 1.34 C ATOM 176 NE1 TRP A 10 0.112 14.850 -9.953 1.00 31.02 N ATOM 177 CE2 TRP A 10 -0.810 13.852 -9.782 1.00 33.40 C ATOM 178 CE3 TRP A 10 -1.204 11.614 -10.602 1.00 44.14 C ATOM 179 CZ2 TRP A 10 -1.950 13.808 -8.984 1.00 33.32 C ATOM 180 CZ3 TRP A 10 -2.335 11.572 -9.809 1.00 65.04 C ATOM 181 CH2 TRP A 10 -2.700 12.663 -9.010 1.00 2.12 C ATOM 0 H TRP A 10 0.358 10.215 -12.536 1.00 62.34 H new ATOM 0 HA TRP A 10 0.033 12.764 -13.678 1.00 31.30 H new ATOM 0 HB2 TRP A 10 1.875 11.408 -11.759 1.00 54.53 H new ATOM 0 HB3 TRP A 10 2.488 12.873 -12.500 1.00 54.53 H new ATOM 0 HD1 TRP A 10 1.914 15.013 -11.171 1.00 14.44 H new ATOM 0 HE1 TRP A 10 0.094 15.759 -9.491 1.00 31.02 H new ATOM 0 HE3 TRP A 10 -0.932 10.768 -11.216 1.00 44.14 H new ATOM 0 HZ2 TRP A 10 -2.233 14.648 -8.366 1.00 33.32 H new ATOM 0 HZ3 TRP A 10 -2.948 10.683 -9.805 1.00 65.04 H new ATOM 0 HH2 TRP A 10 -3.591 12.600 -8.402 1.00 2.12 H new ATOM 192 N LEU A 11 2.720 11.130 -14.722 1.00 64.33 N ATOM 193 CA LEU A 11 3.691 11.050 -15.809 1.00 10.54 C ATOM 194 C LEU A 11 3.023 10.601 -17.104 1.00 32.00 C ATOM 195 O LEU A 11 3.457 10.964 -18.197 1.00 44.41 O ATOM 196 CB LEU A 11 4.819 10.085 -15.441 1.00 61.24 C ATOM 197 CG LEU A 11 5.493 10.323 -14.090 1.00 20.23 C ATOM 198 CD1 LEU A 11 5.596 9.022 -13.308 1.00 52.22 C ATOM 199 CD2 LEU A 11 6.870 10.942 -14.282 1.00 33.02 C ATOM 0 H LEU A 11 2.854 10.438 -13.985 1.00 64.33 H new ATOM 0 HA LEU A 11 4.109 12.045 -15.964 1.00 10.54 H new ATOM 0 HB2 LEU A 11 4.420 9.071 -15.451 1.00 61.24 H new ATOM 0 HB3 LEU A 11 5.581 10.136 -16.218 1.00 61.24 H new ATOM 0 HG LEU A 11 4.880 11.020 -13.518 1.00 20.23 H new ATOM 0 HD11 LEU A 11 6.078 9.211 -12.349 1.00 52.22 H new ATOM 0 HD12 LEU A 11 4.597 8.619 -13.139 1.00 52.22 H new ATOM 0 HD13 LEU A 11 6.186 8.302 -13.875 1.00 52.22 H new ATOM 0 HD21 LEU A 11 7.335 11.104 -13.310 1.00 33.02 H new ATOM 0 HD22 LEU A 11 7.492 10.270 -14.874 1.00 33.02 H new ATOM 0 HD23 LEU A 11 6.771 11.896 -14.801 1.00 33.02 H new ATOM 211 N TYR A 12 1.963 9.811 -16.974 1.00 23.55 N ATOM 212 CA TYR A 12 1.235 9.311 -18.134 1.00 12.23 C ATOM 213 C TYR A 12 0.776 10.461 -19.025 1.00 50.12 C ATOM 214 O TYR A 12 0.594 10.292 -20.231 1.00 5.31 O ATOM 215 CB TYR A 12 0.028 8.484 -17.687 1.00 52.51 C ATOM 216 CG TYR A 12 -0.722 7.841 -18.832 1.00 21.45 C ATOM 217 CD1 TYR A 12 -0.254 6.676 -19.427 1.00 21.21 C ATOM 218 CD2 TYR A 12 -1.899 8.397 -19.317 1.00 32.13 C ATOM 219 CE1 TYR A 12 -0.935 6.085 -20.473 1.00 73.21 C ATOM 220 CE2 TYR A 12 -2.588 7.812 -20.362 1.00 31.14 C ATOM 221 CZ TYR A 12 -2.102 6.656 -20.937 1.00 1.43 C ATOM 222 OH TYR A 12 -2.784 6.070 -21.978 1.00 34.22 O ATOM 0 H TYR A 12 1.589 9.503 -16.077 1.00 23.55 H new ATOM 0 HA TYR A 12 1.909 8.676 -18.709 1.00 12.23 H new ATOM 0 HB2 TYR A 12 0.365 7.706 -17.002 1.00 52.51 H new ATOM 0 HB3 TYR A 12 -0.655 9.125 -17.130 1.00 52.51 H new ATOM 0 HD1 TYR A 12 0.658 6.225 -19.065 1.00 21.21 H new ATOM 0 HD2 TYR A 12 -2.282 9.302 -18.869 1.00 32.13 H new ATOM 0 HE1 TYR A 12 -0.556 5.181 -20.925 1.00 73.21 H new ATOM 0 HE2 TYR A 12 -3.502 8.257 -20.727 1.00 31.14 H new ATOM 0 HH TYR A 12 -3.585 6.597 -22.182 1.00 34.22 H new ATOM 232 N SER A 13 0.591 11.631 -18.422 1.00 40.23 N ATOM 233 CA SER A 13 0.150 12.810 -19.159 1.00 65.34 C ATOM 234 C SER A 13 1.102 13.980 -18.931 1.00 12.40 C ATOM 235 O SER A 13 0.707 15.142 -19.022 1.00 14.34 O ATOM 236 CB SER A 13 -1.267 13.200 -18.738 1.00 55.31 C ATOM 237 OG SER A 13 -2.062 13.530 -19.864 1.00 45.24 O ATOM 0 H SER A 13 0.740 11.788 -17.425 1.00 40.23 H new ATOM 0 HA SER A 13 0.151 12.566 -20.221 1.00 65.34 H new ATOM 0 HB2 SER A 13 -1.727 12.376 -18.193 1.00 55.31 H new ATOM 0 HB3 SER A 13 -1.226 14.050 -18.056 1.00 55.31 H new ATOM 0 HG SER A 13 -2.964 13.774 -19.568 1.00 45.24 H new ATOM 243 N ALA A 14 2.358 13.664 -18.634 1.00 0.50 N ATOM 244 CA ALA A 14 3.367 14.689 -18.394 1.00 60.33 C ATOM 245 C ALA A 14 4.693 14.317 -19.049 1.00 22.32 C ATOM 246 O ALA A 14 5.757 14.756 -18.612 1.00 23.20 O ATOM 247 CB ALA A 14 3.556 14.904 -16.900 1.00 12.01 C ATOM 0 H ALA A 14 2.701 12.707 -18.554 1.00 0.50 H new ATOM 0 HA ALA A 14 3.018 15.619 -18.842 1.00 60.33 H new ATOM 0 HB1 ALA A 14 4.312 15.672 -16.736 1.00 12.01 H new ATOM 0 HB2 ALA A 14 2.613 15.223 -16.456 1.00 12.01 H new ATOM 0 HB3 ALA A 14 3.879 13.972 -16.436 1.00 12.01 H new ATOM 253 N PHE A 15 4.622 13.504 -20.098 1.00 45.31 N ATOM 254 CA PHE A 15 5.818 13.072 -20.812 1.00 22.21 C ATOM 255 C PHE A 15 5.493 12.735 -22.264 1.00 53.02 C ATOM 256 O PHE A 15 6.132 13.240 -23.188 1.00 35.43 O ATOM 257 CB PHE A 15 6.438 11.855 -20.121 1.00 43.42 C ATOM 258 CG PHE A 15 7.939 11.829 -20.187 1.00 74.32 C ATOM 259 CD1 PHE A 15 8.699 12.484 -19.232 1.00 20.31 C ATOM 260 CD2 PHE A 15 8.589 11.148 -21.204 1.00 55.22 C ATOM 261 CE1 PHE A 15 10.080 12.461 -19.291 1.00 14.21 C ATOM 262 CE2 PHE A 15 9.969 11.122 -21.268 1.00 60.11 C ATOM 263 CZ PHE A 15 10.715 11.779 -20.309 1.00 64.55 C ATOM 0 H PHE A 15 3.749 13.131 -20.472 1.00 45.31 H new ATOM 0 HA PHE A 15 6.535 13.893 -20.800 1.00 22.21 H new ATOM 0 HB2 PHE A 15 6.128 11.843 -19.076 1.00 43.42 H new ATOM 0 HB3 PHE A 15 6.046 10.947 -20.580 1.00 43.42 H new ATOM 0 HD1 PHE A 15 8.207 13.018 -18.433 1.00 20.31 H new ATOM 0 HD2 PHE A 15 8.010 10.632 -21.955 1.00 55.22 H new ATOM 0 HE1 PHE A 15 10.662 12.976 -18.541 1.00 14.21 H new ATOM 0 HE2 PHE A 15 10.464 10.589 -22.067 1.00 60.11 H new ATOM 0 HZ PHE A 15 11.794 11.759 -20.356 1.00 64.55 H new ATOM 273 N ARG A 16 4.495 11.878 -22.457 1.00 41.53 N ATOM 274 CA ARG A 16 4.085 11.472 -23.796 1.00 43.32 C ATOM 275 C ARG A 16 3.044 12.434 -24.361 1.00 70.13 C ATOM 276 O ARG A 16 2.891 12.556 -25.576 1.00 3.12 O ATOM 277 CB ARG A 16 3.521 10.050 -23.771 1.00 3.53 C ATOM 278 CG ARG A 16 2.133 9.957 -23.159 1.00 71.13 C ATOM 279 CD ARG A 16 1.059 9.840 -24.230 1.00 4.40 C ATOM 280 NE ARG A 16 1.163 8.589 -24.976 1.00 24.15 N ATOM 281 CZ ARG A 16 0.714 7.424 -24.522 1.00 53.04 C ATOM 282 NH1 ARG A 16 0.132 7.351 -23.333 1.00 41.41 N ATOM 283 NH2 ARG A 16 0.845 6.329 -25.260 1.00 20.44 N ATOM 0 H ARG A 16 3.956 11.452 -21.703 1.00 41.53 H new ATOM 0 HA ARG A 16 4.964 11.495 -24.440 1.00 43.32 H new ATOM 0 HB2 ARG A 16 3.486 9.664 -24.790 1.00 3.53 H new ATOM 0 HB3 ARG A 16 4.200 9.408 -23.210 1.00 3.53 H new ATOM 0 HG2 ARG A 16 2.083 9.093 -22.496 1.00 71.13 H new ATOM 0 HG3 ARG A 16 1.944 10.839 -22.547 1.00 71.13 H new ATOM 0 HD2 ARG A 16 0.075 9.904 -23.765 1.00 4.40 H new ATOM 0 HD3 ARG A 16 1.141 10.681 -24.919 1.00 4.40 H new ATOM 0 HE ARG A 16 1.604 8.611 -25.895 1.00 24.15 H new ATOM 0 HH11 ARG A 16 0.028 8.191 -22.764 1.00 41.41 H new ATOM 0 HH12 ARG A 16 -0.212 6.455 -22.988 1.00 41.41 H new ATOM 0 HH21 ARG A 16 1.291 6.382 -26.176 1.00 20.44 H new ATOM 0 HH22 ARG A 16 0.500 5.435 -24.911 1.00 20.44 H new ATOM 297 N GLY A 17 2.329 13.115 -23.470 1.00 62.43 N ATOM 298 CA GLY A 17 1.311 14.056 -23.899 1.00 61.21 C ATOM 299 C GLY A 17 1.887 15.414 -24.248 1.00 20.12 C ATOM 300 O GLY A 17 1.241 16.215 -24.924 1.00 4.25 O ATOM 0 H GLY A 17 2.437 13.032 -22.459 1.00 62.43 H new ATOM 0 HA2 GLY A 17 0.790 13.652 -24.767 1.00 61.21 H new ATOM 0 HA3 GLY A 17 0.571 14.171 -23.108 1.00 61.21 H new ATOM 304 N VAL A 18 3.105 15.675 -23.785 1.00 24.03 N ATOM 305 CA VAL A 18 3.768 16.946 -24.051 1.00 63.00 C ATOM 306 C VAL A 18 4.638 16.861 -25.300 1.00 70.03 C ATOM 307 O VAL A 18 5.017 17.881 -25.874 1.00 40.34 O ATOM 308 CB VAL A 18 4.641 17.384 -22.860 1.00 42.10 C ATOM 309 CG1 VAL A 18 5.155 18.801 -23.067 1.00 21.30 C ATOM 310 CG2 VAL A 18 3.860 17.276 -21.559 1.00 51.32 C ATOM 0 H VAL A 18 3.653 15.023 -23.224 1.00 24.03 H new ATOM 0 HA VAL A 18 2.983 17.686 -24.208 1.00 63.00 H new ATOM 0 HB VAL A 18 5.501 16.717 -22.797 1.00 42.10 H new ATOM 0 HG11 VAL A 18 5.770 19.093 -22.216 1.00 21.30 H new ATOM 0 HG12 VAL A 18 5.753 18.842 -23.977 1.00 21.30 H new ATOM 0 HG13 VAL A 18 4.311 19.485 -23.157 1.00 21.30 H new ATOM 0 HG21 VAL A 18 4.492 17.589 -20.728 1.00 51.32 H new ATOM 0 HG22 VAL A 18 2.981 17.918 -21.608 1.00 51.32 H new ATOM 0 HG23 VAL A 18 3.547 16.243 -21.407 1.00 51.32 H new ATOM 320 N GLN A 19 4.950 15.638 -25.715 1.00 73.55 N ATOM 321 CA GLN A 19 5.775 15.420 -26.897 1.00 63.34 C ATOM 322 C GLN A 19 4.914 15.315 -28.152 1.00 12.34 C ATOM 323 O GLN A 19 5.094 14.410 -28.968 1.00 12.43 O ATOM 324 CB GLN A 19 6.614 14.151 -26.733 1.00 73.21 C ATOM 325 CG GLN A 19 5.782 12.895 -26.527 1.00 64.23 C ATOM 326 CD GLN A 19 6.634 11.666 -26.278 1.00 31.25 C ATOM 327 OE1 GLN A 19 7.674 11.740 -25.623 1.00 20.45 O ATOM 328 NE2 GLN A 19 6.196 10.526 -26.799 1.00 62.14 N ATOM 0 H GLN A 19 4.644 14.783 -25.250 1.00 73.55 H new ATOM 0 HA GLN A 19 6.441 16.276 -27.006 1.00 63.34 H new ATOM 0 HB2 GLN A 19 7.239 14.022 -27.616 1.00 73.21 H new ATOM 0 HB3 GLN A 19 7.285 14.276 -25.883 1.00 73.21 H new ATOM 0 HG2 GLN A 19 5.109 13.044 -25.682 1.00 64.23 H new ATOM 0 HG3 GLN A 19 5.158 12.728 -27.405 1.00 64.23 H new ATOM 0 HE21 GLN A 19 5.328 10.510 -27.335 1.00 62.14 H new ATOM 0 HE22 GLN A 19 6.727 9.666 -26.663 1.00 62.14 H new ATOM 337 N LEU A 20 3.977 16.246 -28.299 1.00 64.10 N ATOM 338 CA LEU A 20 3.087 16.259 -29.454 1.00 73.33 C ATOM 339 C LEU A 20 2.221 17.515 -29.461 1.00 23.22 C ATOM 340 O LEU A 20 1.941 18.084 -30.516 1.00 74.23 O ATOM 341 CB LEU A 20 2.198 15.013 -29.452 1.00 43.50 C ATOM 342 CG LEU A 20 1.089 14.979 -30.503 1.00 75.24 C ATOM 343 CD1 LEU A 20 1.382 13.920 -31.555 1.00 22.02 C ATOM 344 CD2 LEU A 20 -0.260 14.722 -29.847 1.00 71.40 C ATOM 0 H LEU A 20 3.814 17.001 -27.633 1.00 64.10 H new ATOM 0 HA LEU A 20 3.701 16.259 -30.354 1.00 73.33 H new ATOM 0 HB2 LEU A 20 2.833 14.138 -29.594 1.00 43.50 H new ATOM 0 HB3 LEU A 20 1.741 14.919 -28.467 1.00 43.50 H new ATOM 0 HG LEU A 20 1.052 15.951 -30.996 1.00 75.24 H new ATOM 0 HD11 LEU A 20 0.581 13.911 -32.295 1.00 22.02 H new ATOM 0 HD12 LEU A 20 2.328 14.148 -32.047 1.00 22.02 H new ATOM 0 HD13 LEU A 20 1.447 12.942 -31.078 1.00 22.02 H new ATOM 0 HD21 LEU A 20 -1.038 14.701 -30.610 1.00 71.40 H new ATOM 0 HD22 LEU A 20 -0.235 13.764 -29.328 1.00 71.40 H new ATOM 0 HD23 LEU A 20 -0.474 15.517 -29.132 1.00 71.40 H new ATOM 356 N THR A 21 1.802 17.945 -28.275 1.00 30.54 N ATOM 357 CA THR A 21 0.970 19.134 -28.143 1.00 33.40 C ATOM 358 C THR A 21 1.822 20.381 -27.940 1.00 53.44 C ATOM 359 O THR A 21 1.378 21.498 -28.210 1.00 3.03 O ATOM 360 CB THR A 21 -0.016 19.002 -26.966 1.00 42.25 C ATOM 361 OG1 THR A 21 -0.337 17.624 -26.748 1.00 73.03 O ATOM 362 CG2 THR A 21 -1.290 19.789 -27.237 1.00 64.41 C ATOM 0 H THR A 21 2.026 17.487 -27.392 1.00 30.54 H new ATOM 0 HA THR A 21 0.406 19.230 -29.071 1.00 33.40 H new ATOM 0 HB THR A 21 0.460 19.409 -26.074 1.00 42.25 H new ATOM 0 HG1 THR A 21 0.285 17.243 -26.093 1.00 73.03 H new ATOM 0 HG21 THR A 21 -1.971 19.681 -26.393 1.00 64.41 H new ATOM 0 HG22 THR A 21 -1.045 20.842 -27.373 1.00 64.41 H new ATOM 0 HG23 THR A 21 -1.768 19.408 -28.140 1.00 64.41 H new ATOM 370 N TYR A 22 3.046 20.185 -27.465 1.00 64.12 N ATOM 371 CA TYR A 22 3.960 21.295 -27.225 1.00 3.30 C ATOM 372 C TYR A 22 5.259 21.111 -28.004 1.00 73.43 C ATOM 373 O TYR A 22 6.244 21.807 -27.763 1.00 21.23 O ATOM 374 CB TYR A 22 4.263 21.420 -25.731 1.00 14.32 C ATOM 375 CG TYR A 22 4.217 22.843 -25.221 1.00 34.14 C ATOM 376 CD1 TYR A 22 3.098 23.640 -25.427 1.00 14.22 C ATOM 377 CD2 TYR A 22 5.292 23.389 -24.531 1.00 43.53 C ATOM 378 CE1 TYR A 22 3.052 24.941 -24.963 1.00 72.41 C ATOM 379 CE2 TYR A 22 5.255 24.689 -24.063 1.00 33.53 C ATOM 380 CZ TYR A 22 4.133 25.460 -24.282 1.00 15.15 C ATOM 381 OH TYR A 22 4.090 26.755 -23.817 1.00 22.32 O ATOM 0 H TYR A 22 3.429 19.267 -27.238 1.00 64.12 H new ATOM 0 HA TYR A 22 3.477 22.209 -27.570 1.00 3.30 H new ATOM 0 HB2 TYR A 22 3.546 20.819 -25.172 1.00 14.32 H new ATOM 0 HB3 TYR A 22 5.251 21.004 -25.533 1.00 14.32 H new ATOM 0 HD1 TYR A 22 2.249 23.236 -25.959 1.00 14.22 H new ATOM 0 HD2 TYR A 22 6.172 22.787 -24.357 1.00 43.53 H new ATOM 0 HE1 TYR A 22 2.175 25.548 -25.133 1.00 72.41 H new ATOM 0 HE2 TYR A 22 6.100 25.098 -23.529 1.00 33.53 H new ATOM 0 HH TYR A 22 4.930 26.966 -23.358 1.00 22.32 H new ATOM 391 N GLU A 23 5.250 20.167 -28.941 1.00 1.21 N ATOM 392 CA GLU A 23 6.427 19.890 -29.756 1.00 51.32 C ATOM 393 C GLU A 23 6.155 20.197 -31.226 1.00 72.52 C ATOM 394 O GLU A 23 7.074 20.492 -31.991 1.00 32.21 O ATOM 395 CB GLU A 23 6.852 18.429 -29.598 1.00 74.25 C ATOM 396 CG GLU A 23 7.699 18.171 -28.364 1.00 44.11 C ATOM 397 CD GLU A 23 8.462 16.863 -28.443 1.00 21.11 C ATOM 398 OE1 GLU A 23 8.266 16.119 -29.426 1.00 54.25 O ATOM 399 OE2 GLU A 23 9.256 16.583 -27.520 1.00 42.53 O ATOM 0 H GLU A 23 4.442 19.582 -29.154 1.00 1.21 H new ATOM 0 HA GLU A 23 7.236 20.535 -29.412 1.00 51.32 H new ATOM 0 HB2 GLU A 23 5.961 17.803 -29.554 1.00 74.25 H new ATOM 0 HB3 GLU A 23 7.412 18.125 -30.482 1.00 74.25 H new ATOM 0 HG2 GLU A 23 8.405 18.992 -28.234 1.00 44.11 H new ATOM 0 HG3 GLU A 23 7.057 18.160 -27.483 1.00 44.11 H new ATOM 406 N HIS A 24 4.886 20.123 -31.615 1.00 13.43 N ATOM 407 CA HIS A 24 4.491 20.393 -32.993 1.00 23.40 C ATOM 408 C HIS A 24 5.048 21.732 -33.466 1.00 4.03 C ATOM 409 O HIS A 24 5.472 21.870 -34.614 1.00 4.44 O ATOM 410 CB HIS A 24 2.968 20.387 -33.120 1.00 53.21 C ATOM 411 CG HIS A 24 2.294 21.436 -32.290 1.00 33.33 C ATOM 412 ND1 HIS A 24 1.484 22.414 -32.826 1.00 15.43 N ATOM 413 CD2 HIS A 24 2.312 21.654 -30.954 1.00 54.00 C ATOM 414 CE1 HIS A 24 1.034 23.190 -31.856 1.00 13.42 C ATOM 415 NE2 HIS A 24 1.521 22.750 -30.710 1.00 2.11 N ATOM 0 H HIS A 24 4.114 19.878 -30.995 1.00 13.43 H new ATOM 0 HA HIS A 24 4.903 19.605 -33.624 1.00 23.40 H new ATOM 0 HB2 HIS A 24 2.698 20.534 -34.166 1.00 53.21 H new ATOM 0 HB3 HIS A 24 2.591 19.407 -32.828 1.00 53.21 H new ATOM 0 HD2 HIS A 24 2.848 21.074 -30.217 1.00 54.00 H new ATOM 0 HE1 HIS A 24 0.379 24.040 -31.979 1.00 13.42 H new ATOM 0 HE2 HIS A 24 1.339 23.158 -29.793 1.00 2.11 H new ATOM 423 N THR A 25 5.044 22.718 -32.573 1.00 72.44 N ATOM 424 CA THR A 25 5.546 24.046 -32.899 1.00 44.15 C ATOM 425 C THR A 25 6.442 24.583 -31.789 1.00 15.34 C ATOM 426 O THR A 25 6.040 25.461 -31.025 1.00 42.34 O ATOM 427 CB THR A 25 4.394 25.039 -33.140 1.00 11.40 C ATOM 428 OG1 THR A 25 3.578 25.137 -31.967 1.00 61.52 O ATOM 429 CG2 THR A 25 3.541 24.603 -34.322 1.00 45.21 C ATOM 0 H THR A 25 4.698 22.621 -31.618 1.00 72.44 H new ATOM 0 HA THR A 25 6.128 23.948 -33.816 1.00 44.15 H new ATOM 0 HB THR A 25 4.826 26.014 -33.364 1.00 11.40 H new ATOM 0 HG1 THR A 25 4.148 25.289 -31.184 1.00 61.52 H new ATOM 0 HG21 THR A 25 2.734 25.320 -34.472 1.00 45.21 H new ATOM 0 HG22 THR A 25 4.158 24.558 -35.219 1.00 45.21 H new ATOM 0 HG23 THR A 25 3.119 23.618 -34.122 1.00 45.21 H new ATOM 437 N MET A 26 7.656 24.051 -31.704 1.00 63.13 N ATOM 438 CA MET A 26 8.609 24.479 -30.687 1.00 1.31 C ATOM 439 C MET A 26 9.942 24.868 -31.319 1.00 73.03 C ATOM 440 O MET A 26 10.299 26.046 -31.364 1.00 61.10 O ATOM 441 CB MET A 26 8.824 23.367 -29.659 1.00 4.14 C ATOM 442 CG MET A 26 8.353 23.733 -28.260 1.00 61.34 C ATOM 443 SD MET A 26 9.373 25.007 -27.495 1.00 0.42 S ATOM 444 CE MET A 26 8.167 26.311 -27.261 1.00 60.13 C ATOM 0 H MET A 26 8.004 23.322 -32.327 1.00 63.13 H new ATOM 0 HA MET A 26 8.197 25.354 -30.184 1.00 1.31 H new ATOM 0 HB2 MET A 26 8.297 22.472 -29.989 1.00 4.14 H new ATOM 0 HB3 MET A 26 9.884 23.117 -29.623 1.00 4.14 H new ATOM 0 HG2 MET A 26 7.321 24.080 -28.307 1.00 61.34 H new ATOM 0 HG3 MET A 26 8.361 22.841 -27.633 1.00 61.34 H new ATOM 0 HE1 MET A 26 8.647 27.171 -26.795 1.00 60.13 H new ATOM 0 HE2 MET A 26 7.756 26.604 -28.227 1.00 60.13 H new ATOM 0 HE3 MET A 26 7.363 25.952 -26.618 1.00 60.13 H new ATOM 454 N LEU A 27 10.673 23.872 -31.807 1.00 30.25 N ATOM 455 CA LEU A 27 11.967 24.110 -32.437 1.00 21.34 C ATOM 456 C LEU A 27 11.957 23.652 -33.892 1.00 33.25 C ATOM 457 O LEU A 27 13.004 23.354 -34.465 1.00 71.31 O ATOM 458 CB LEU A 27 13.072 23.382 -31.669 1.00 32.32 C ATOM 459 CG LEU A 27 14.304 24.215 -31.314 1.00 70.14 C ATOM 460 CD1 LEU A 27 14.266 24.628 -29.851 1.00 40.34 C ATOM 461 CD2 LEU A 27 15.578 23.440 -31.619 1.00 34.44 C ATOM 0 H LEU A 27 10.392 22.892 -31.779 1.00 30.25 H new ATOM 0 HA LEU A 27 12.163 25.182 -32.414 1.00 21.34 H new ATOM 0 HB2 LEU A 27 12.646 22.988 -30.746 1.00 32.32 H new ATOM 0 HB3 LEU A 27 13.395 22.526 -32.262 1.00 32.32 H new ATOM 0 HG LEU A 27 14.297 25.118 -31.925 1.00 70.14 H new ATOM 0 HD11 LEU A 27 15.151 25.220 -29.617 1.00 40.34 H new ATOM 0 HD12 LEU A 27 13.372 25.222 -29.664 1.00 40.34 H new ATOM 0 HD13 LEU A 27 14.248 23.738 -29.222 1.00 40.34 H new ATOM 0 HD21 LEU A 27 16.445 24.048 -31.360 1.00 34.44 H new ATOM 0 HD22 LEU A 27 15.593 22.520 -31.035 1.00 34.44 H new ATOM 0 HD23 LEU A 27 15.610 23.196 -32.681 1.00 34.44 H new ATOM 473 N GLN A 28 10.767 23.601 -34.482 1.00 61.20 N ATOM 474 CA GLN A 28 10.622 23.181 -35.871 1.00 35.13 C ATOM 475 C GLN A 28 10.112 24.329 -36.736 1.00 32.30 C ATOM 476 O GLN A 28 9.565 24.110 -37.817 1.00 54.20 O ATOM 477 CB GLN A 28 9.666 21.990 -35.968 1.00 44.01 C ATOM 478 CG GLN A 28 10.366 20.642 -35.906 1.00 3.14 C ATOM 479 CD GLN A 28 11.024 20.265 -37.218 1.00 64.22 C ATOM 480 OE1 GLN A 28 10.479 20.514 -38.294 1.00 32.24 O ATOM 481 NE2 GLN A 28 12.204 19.661 -37.137 1.00 62.31 N ATOM 0 H GLN A 28 9.891 23.845 -34.021 1.00 61.20 H new ATOM 0 HA GLN A 28 11.603 22.881 -36.239 1.00 35.13 H new ATOM 0 HB2 GLN A 28 8.940 22.051 -35.157 1.00 44.01 H new ATOM 0 HB3 GLN A 28 9.108 22.058 -36.902 1.00 44.01 H new ATOM 0 HG2 GLN A 28 11.120 20.664 -35.119 1.00 3.14 H new ATOM 0 HG3 GLN A 28 9.643 19.874 -35.633 1.00 3.14 H new ATOM 0 HE21 GLN A 28 12.620 19.474 -36.224 1.00 62.31 H new ATOM 0 HE22 GLN A 28 12.695 19.384 -37.987 1.00 62.31 H new ATOM 490 N LYS A 29 10.294 25.553 -36.253 1.00 45.14 N ATOM 491 CA LYS A 29 9.854 26.737 -36.982 1.00 63.21 C ATOM 492 C LYS A 29 8.341 26.727 -37.173 1.00 10.03 C ATOM 493 O LYS A 29 7.811 27.405 -38.054 1.00 22.34 O ATOM 494 CB LYS A 29 10.550 26.811 -38.343 1.00 70.02 C ATOM 495 CG LYS A 29 11.545 27.953 -38.456 1.00 62.23 C ATOM 496 CD LYS A 29 12.959 27.493 -38.143 1.00 42.12 C ATOM 497 CE LYS A 29 13.933 27.902 -39.237 1.00 44.24 C ATOM 498 NZ LYS A 29 15.001 26.884 -39.439 1.00 32.42 N ATOM 0 H LYS A 29 10.744 25.751 -35.359 1.00 45.14 H new ATOM 0 HA LYS A 29 10.123 27.615 -36.395 1.00 63.21 H new ATOM 0 HB2 LYS A 29 11.067 25.870 -38.529 1.00 70.02 H new ATOM 0 HB3 LYS A 29 9.795 26.919 -39.122 1.00 70.02 H new ATOM 0 HG2 LYS A 29 11.511 28.368 -39.463 1.00 62.23 H new ATOM 0 HG3 LYS A 29 11.262 28.753 -37.772 1.00 62.23 H new ATOM 0 HD2 LYS A 29 13.279 27.918 -37.192 1.00 42.12 H new ATOM 0 HD3 LYS A 29 12.973 26.409 -38.028 1.00 42.12 H new ATOM 0 HE2 LYS A 29 13.390 28.048 -40.171 1.00 44.24 H new ATOM 0 HE3 LYS A 29 14.387 28.859 -38.979 1.00 44.24 H new ATOM 0 HZ1 LYS A 29 15.644 27.200 -40.193 1.00 32.42 H new ATOM 0 HZ2 LYS A 29 15.536 26.762 -38.556 1.00 32.42 H new ATOM 0 HZ3 LYS A 29 14.570 25.977 -39.710 1.00 32.42 H new ATOM 512 N LYS A 30 7.649 25.956 -36.341 1.00 25.52 N ATOM 513 CA LYS A 30 6.197 25.859 -36.415 1.00 55.12 C ATOM 514 C LYS A 30 5.725 25.861 -37.866 1.00 34.13 C ATOM 515 O LYS A 30 4.582 26.216 -38.156 1.00 41.15 O ATOM 516 CB LYS A 30 5.548 27.019 -35.655 1.00 64.25 C ATOM 517 CG LYS A 30 5.715 28.364 -36.341 1.00 71.22 C ATOM 518 CD LYS A 30 6.944 29.099 -35.835 1.00 44.41 C ATOM 519 CE LYS A 30 6.564 30.331 -35.028 1.00 10.11 C ATOM 520 NZ LYS A 30 6.531 31.558 -35.871 1.00 11.21 N ATOM 0 H LYS A 30 8.072 25.388 -35.607 1.00 25.52 H new ATOM 0 HA LYS A 30 5.897 24.918 -35.955 1.00 55.12 H new ATOM 0 HB2 LYS A 30 4.485 26.813 -35.532 1.00 64.25 H new ATOM 0 HB3 LYS A 30 5.979 27.074 -34.655 1.00 64.25 H new ATOM 0 HG2 LYS A 30 5.796 28.217 -37.418 1.00 71.22 H new ATOM 0 HG3 LYS A 30 4.828 28.974 -36.168 1.00 71.22 H new ATOM 0 HD2 LYS A 30 7.542 28.428 -35.218 1.00 44.41 H new ATOM 0 HD3 LYS A 30 7.566 29.394 -36.680 1.00 44.41 H new ATOM 0 HE2 LYS A 30 5.586 30.178 -34.571 1.00 10.11 H new ATOM 0 HE3 LYS A 30 7.278 30.468 -34.216 1.00 10.11 H new ATOM 0 HZ1 LYS A 30 6.268 32.375 -35.284 1.00 11.21 H new ATOM 0 HZ2 LYS A 30 7.470 31.719 -36.287 1.00 11.21 H new ATOM 0 HZ3 LYS A 30 5.831 31.438 -36.631 1.00 11.21 H new TER 534 LYS A 30