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 Single : A 1 LYS N :NH3+ -160:sc= -0.0322 (180deg=-0.711) USER MOD Single : A 1 LYS NZ :NH3+ 159:sc= -0.126 (180deg=-0.626) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.293 K(o=-0.29,f=-0.9) USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00131 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0713 K(o=-0.071,f=-0.72) 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 1.103 1.205 -3.253 1.00 63.13 N ATOM 2 CA LYS A 1 1.949 0.069 -3.598 1.00 62.44 C ATOM 3 C LYS A 1 2.015 -0.121 -5.110 1.00 63.25 C ATOM 4 O LYS A 1 1.234 -0.878 -5.686 1.00 73.25 O ATOM 5 CB LYS A 1 1.421 -1.206 -2.936 1.00 63.24 C ATOM 6 CG LYS A 1 2.258 -1.670 -1.756 1.00 54.22 C ATOM 7 CD LYS A 1 1.394 -2.287 -0.669 1.00 10.42 C ATOM 8 CE LYS A 1 2.193 -2.541 0.600 1.00 12.23 C ATOM 9 NZ LYS A 1 2.806 -1.291 1.129 1.00 22.22 N ATOM 0 H1 LYS A 1 1.330 1.527 -2.290 1.00 63.13 H new ATOM 0 H2 LYS A 1 1.271 1.980 -3.926 1.00 63.13 H new ATOM 0 H3 LYS A 1 0.104 0.920 -3.296 1.00 63.13 H new ATOM 0 HA LYS A 1 2.955 0.272 -3.231 1.00 62.44 H new ATOM 0 HB2 LYS A 1 0.398 -1.034 -2.600 1.00 63.24 H new ATOM 0 HB3 LYS A 1 1.383 -2.002 -3.679 1.00 63.24 H new ATOM 0 HG2 LYS A 1 2.994 -2.399 -2.095 1.00 54.22 H new ATOM 0 HG3 LYS A 1 2.812 -0.825 -1.347 1.00 54.22 H new ATOM 0 HD2 LYS A 1 0.558 -1.624 -0.447 1.00 10.42 H new ATOM 0 HD3 LYS A 1 0.971 -3.225 -1.028 1.00 10.42 H new ATOM 0 HE2 LYS A 1 1.542 -2.975 1.358 1.00 12.23 H new ATOM 0 HE3 LYS A 1 2.976 -3.271 0.396 1.00 12.23 H new ATOM 0 HZ1 LYS A 1 3.028 -1.413 2.138 1.00 22.22 H new ATOM 0 HZ2 LYS A 1 3.680 -1.084 0.605 1.00 22.22 H new ATOM 0 HZ3 LYS A 1 2.138 -0.502 1.015 1.00 22.22 H new ATOM 23 N LYS A 2 2.954 0.570 -5.748 1.00 72.14 N ATOM 24 CA LYS A 2 3.125 0.476 -7.193 1.00 53.04 C ATOM 25 C LYS A 2 1.886 0.987 -7.922 1.00 73.50 C ATOM 26 O LYS A 2 1.701 0.725 -9.111 1.00 24.11 O ATOM 27 CB LYS A 2 3.409 -0.971 -7.601 1.00 71.40 C ATOM 28 CG LYS A 2 4.329 -1.705 -6.640 1.00 15.51 C ATOM 29 CD LYS A 2 5.708 -1.069 -6.594 1.00 61.30 C ATOM 30 CE LYS A 2 5.877 -0.192 -5.363 1.00 23.43 C ATOM 31 NZ LYS A 2 7.312 -0.001 -5.011 1.00 54.53 N ATOM 0 H LYS A 2 3.609 1.202 -5.287 1.00 72.14 H new ATOM 0 HA LYS A 2 3.974 1.099 -7.474 1.00 53.04 H new ATOM 0 HB2 LYS A 2 2.465 -1.512 -7.672 1.00 71.40 H new ATOM 0 HB3 LYS A 2 3.856 -0.978 -8.595 1.00 71.40 H new ATOM 0 HG2 LYS A 2 3.892 -1.701 -5.642 1.00 15.51 H new ATOM 0 HG3 LYS A 2 4.418 -2.748 -6.945 1.00 15.51 H new ATOM 0 HD2 LYS A 2 6.470 -1.849 -6.594 1.00 61.30 H new ATOM 0 HD3 LYS A 2 5.864 -0.471 -7.492 1.00 61.30 H new ATOM 0 HE2 LYS A 2 5.415 0.779 -5.542 1.00 23.43 H new ATOM 0 HE3 LYS A 2 5.353 -0.644 -4.520 1.00 23.43 H new ATOM 0 HZ1 LYS A 2 7.385 0.602 -4.167 1.00 54.53 H new ATOM 0 HZ2 LYS A 2 7.747 -0.925 -4.815 1.00 54.53 H new ATOM 0 HZ3 LYS A 2 7.807 0.453 -5.805 1.00 54.53 H new ATOM 45 N ARG A 3 1.040 1.717 -7.202 1.00 62.31 N ATOM 46 CA ARG A 3 -0.181 2.264 -7.781 1.00 21.11 C ATOM 47 C ARG A 3 0.142 3.329 -8.825 1.00 10.13 C ATOM 48 O ARG A 3 0.219 4.517 -8.511 1.00 0.12 O ATOM 49 CB ARG A 3 -1.067 2.860 -6.686 1.00 11.04 C ATOM 50 CG ARG A 3 -1.702 1.817 -5.781 1.00 21.23 C ATOM 51 CD ARG A 3 -2.979 2.338 -5.140 1.00 23.12 C ATOM 52 NE ARG A 3 -4.090 1.403 -5.294 1.00 24.54 N ATOM 53 CZ ARG A 3 -5.293 1.598 -4.766 1.00 21.52 C ATOM 54 NH1 ARG A 3 -5.539 2.689 -4.054 1.00 75.32 N ATOM 55 NH2 ARG A 3 -6.253 0.700 -4.950 1.00 1.10 N ATOM 0 H ARG A 3 1.178 1.943 -6.217 1.00 62.31 H new ATOM 0 HA ARG A 3 -0.717 1.451 -8.270 1.00 21.11 H new ATOM 0 HB2 ARG A 3 -0.471 3.541 -6.079 1.00 11.04 H new ATOM 0 HB3 ARG A 3 -1.854 3.453 -7.151 1.00 11.04 H new ATOM 0 HG2 ARG A 3 -1.924 0.919 -6.358 1.00 21.23 H new ATOM 0 HG3 ARG A 3 -0.994 1.529 -5.003 1.00 21.23 H new ATOM 0 HD2 ARG A 3 -2.804 2.521 -4.080 1.00 23.12 H new ATOM 0 HD3 ARG A 3 -3.246 3.295 -5.589 1.00 23.12 H new ATOM 0 HE ARG A 3 -3.934 0.554 -5.837 1.00 24.54 H new ATOM 0 HH11 ARG A 3 -4.804 3.381 -3.911 1.00 75.32 H new ATOM 0 HH12 ARG A 3 -6.464 2.836 -3.650 1.00 75.32 H new ATOM 0 HH21 ARG A 3 -6.067 -0.140 -5.497 1.00 1.10 H new ATOM 0 HH22 ARG A 3 -7.177 0.850 -4.544 1.00 1.10 H new ATOM 69 N TYR A 4 0.330 2.895 -10.066 1.00 2.40 N ATOM 70 CA TYR A 4 0.648 3.811 -11.156 1.00 32.15 C ATOM 71 C TYR A 4 1.973 4.523 -10.900 1.00 14.10 C ATOM 72 O TYR A 4 2.272 5.543 -11.521 1.00 4.24 O ATOM 73 CB TYR A 4 -0.472 4.839 -11.329 1.00 24.24 C ATOM 74 CG TYR A 4 -1.556 4.398 -12.285 1.00 73.41 C ATOM 75 CD1 TYR A 4 -2.028 3.091 -12.276 1.00 61.42 C ATOM 76 CD2 TYR A 4 -2.109 5.287 -13.198 1.00 43.13 C ATOM 77 CE1 TYR A 4 -3.018 2.683 -13.149 1.00 33.43 C ATOM 78 CE2 TYR A 4 -3.100 4.888 -14.073 1.00 54.34 C ATOM 79 CZ TYR A 4 -3.552 3.585 -14.045 1.00 44.20 C ATOM 80 OH TYR A 4 -4.538 3.184 -14.916 1.00 73.21 O ATOM 0 H TYR A 4 0.268 1.915 -10.343 1.00 2.40 H new ATOM 0 HA TYR A 4 0.741 3.228 -12.072 1.00 32.15 H new ATOM 0 HB2 TYR A 4 -0.919 5.044 -10.356 1.00 24.24 H new ATOM 0 HB3 TYR A 4 -0.043 5.775 -11.687 1.00 24.24 H new ATOM 0 HD1 TYR A 4 -1.614 2.382 -11.574 1.00 61.42 H new ATOM 0 HD2 TYR A 4 -1.758 6.308 -13.224 1.00 43.13 H new ATOM 0 HE1 TYR A 4 -3.372 1.663 -13.130 1.00 33.43 H new ATOM 0 HE2 TYR A 4 -3.519 5.593 -14.776 1.00 54.34 H new ATOM 0 HH TYR A 4 -4.805 3.941 -15.478 1.00 73.21 H new ATOM 90 N VAL A 5 2.763 3.977 -9.981 1.00 60.03 N ATOM 91 CA VAL A 5 4.057 4.558 -9.643 1.00 61.54 C ATOM 92 C VAL A 5 5.193 3.590 -9.959 1.00 15.41 C ATOM 93 O VAL A 5 6.366 3.957 -9.907 1.00 61.11 O ATOM 94 CB VAL A 5 4.127 4.945 -8.154 1.00 54.44 C ATOM 95 CG1 VAL A 5 4.097 3.703 -7.277 1.00 14.31 C ATOM 96 CG2 VAL A 5 5.372 5.774 -7.878 1.00 21.23 C ATOM 0 H VAL A 5 2.530 3.133 -9.457 1.00 60.03 H new ATOM 0 HA VAL A 5 4.169 5.457 -10.250 1.00 61.54 H new ATOM 0 HB VAL A 5 3.254 5.551 -7.912 1.00 54.44 H new ATOM 0 HG11 VAL A 5 4.147 3.997 -6.229 1.00 14.31 H new ATOM 0 HG12 VAL A 5 3.173 3.153 -7.456 1.00 14.31 H new ATOM 0 HG13 VAL A 5 4.949 3.067 -7.517 1.00 14.31 H new ATOM 0 HG21 VAL A 5 5.406 6.039 -6.821 1.00 21.23 H new ATOM 0 HG22 VAL A 5 6.259 5.195 -8.136 1.00 21.23 H new ATOM 0 HG23 VAL A 5 5.345 6.683 -8.479 1.00 21.23 H new ATOM 106 N ALA A 6 4.835 2.353 -10.286 1.00 53.14 N ATOM 107 CA ALA A 6 5.823 1.333 -10.613 1.00 44.11 C ATOM 108 C ALA A 6 6.419 1.569 -11.997 1.00 3.43 C ATOM 109 O ALA A 6 7.492 1.058 -12.316 1.00 41.22 O ATOM 110 CB ALA A 6 5.198 -0.052 -10.535 1.00 4.00 C ATOM 0 H ALA A 6 3.868 2.033 -10.331 1.00 53.14 H new ATOM 0 HA ALA A 6 6.630 1.397 -9.883 1.00 44.11 H new ATOM 0 HB1 ALA A 6 5.948 -0.804 -10.782 1.00 4.00 H new ATOM 0 HB2 ALA A 6 4.827 -0.227 -9.525 1.00 4.00 H new ATOM 0 HB3 ALA A 6 4.371 -0.118 -11.242 1.00 4.00 H new ATOM 116 N MET A 7 5.716 2.346 -12.814 1.00 50.30 N ATOM 117 CA MET A 7 6.177 2.650 -14.164 1.00 11.22 C ATOM 118 C MET A 7 6.886 4.000 -14.205 1.00 52.22 C ATOM 119 O MET A 7 7.579 4.319 -15.171 1.00 43.11 O ATOM 120 CB MET A 7 4.999 2.649 -15.140 1.00 41.42 C ATOM 121 CG MET A 7 4.961 1.429 -16.046 1.00 22.04 C ATOM 122 SD MET A 7 5.680 1.746 -17.669 1.00 22.44 S ATOM 123 CE MET A 7 5.598 0.113 -18.400 1.00 22.43 C ATOM 0 H MET A 7 4.825 2.777 -12.565 1.00 50.30 H new ATOM 0 HA MET A 7 6.887 1.878 -14.462 1.00 11.22 H new ATOM 0 HB2 MET A 7 4.069 2.700 -14.574 1.00 41.42 H new ATOM 0 HB3 MET A 7 5.047 3.547 -15.756 1.00 41.42 H new ATOM 0 HG2 MET A 7 5.499 0.610 -15.569 1.00 22.04 H new ATOM 0 HG3 MET A 7 3.928 1.104 -16.168 1.00 22.04 H new ATOM 0 HE1 MET A 7 6.008 0.145 -19.410 1.00 22.43 H new ATOM 0 HE2 MET A 7 6.177 -0.586 -17.796 1.00 22.43 H new ATOM 0 HE3 MET A 7 4.560 -0.216 -18.440 1.00 22.43 H new ATOM 133 N VAL A 8 6.707 4.790 -13.151 1.00 51.22 N ATOM 134 CA VAL A 8 7.330 6.106 -13.067 1.00 62.41 C ATOM 135 C VAL A 8 8.464 6.112 -12.048 1.00 12.52 C ATOM 136 O VAL A 8 9.303 7.013 -12.045 1.00 5.25 O ATOM 137 CB VAL A 8 6.304 7.189 -12.685 1.00 45.31 C ATOM 138 CG1 VAL A 8 5.937 7.082 -11.213 1.00 5.11 C ATOM 139 CG2 VAL A 8 6.847 8.573 -13.009 1.00 11.35 C ATOM 0 H VAL A 8 6.136 4.542 -12.343 1.00 51.22 H new ATOM 0 HA VAL A 8 7.732 6.330 -14.055 1.00 62.41 H new ATOM 0 HB VAL A 8 5.399 7.032 -13.272 1.00 45.31 H new ATOM 0 HG11 VAL A 8 5.211 7.855 -10.962 1.00 5.11 H new ATOM 0 HG12 VAL A 8 5.505 6.101 -11.016 1.00 5.11 H new ATOM 0 HG13 VAL A 8 6.832 7.213 -10.604 1.00 5.11 H new ATOM 0 HG21 VAL A 8 6.110 9.327 -12.733 1.00 11.35 H new ATOM 0 HG22 VAL A 8 7.767 8.743 -12.450 1.00 11.35 H new ATOM 0 HG23 VAL A 8 7.054 8.642 -14.077 1.00 11.35 H new ATOM 149 N ILE A 9 8.482 5.103 -11.185 1.00 30.54 N ATOM 150 CA ILE A 9 9.514 4.992 -10.161 1.00 71.52 C ATOM 151 C ILE A 9 10.887 4.773 -10.787 1.00 3.23 C ATOM 152 O ILE A 9 11.910 5.138 -10.206 1.00 71.51 O ATOM 153 CB ILE A 9 9.217 3.837 -9.186 1.00 3.45 C ATOM 154 CG1 ILE A 9 10.333 3.720 -8.145 1.00 42.33 C ATOM 155 CG2 ILE A 9 9.055 2.530 -9.946 1.00 21.42 C ATOM 156 CD1 ILE A 9 10.043 2.709 -7.058 1.00 54.25 C ATOM 0 H ILE A 9 7.794 4.350 -11.174 1.00 30.54 H new ATOM 0 HA ILE A 9 9.514 5.932 -9.609 1.00 71.52 H new ATOM 0 HB ILE A 9 8.282 4.050 -8.667 1.00 3.45 H new ATOM 0 HG12 ILE A 9 11.260 3.445 -8.648 1.00 42.33 H new ATOM 0 HG13 ILE A 9 10.496 4.696 -7.688 1.00 42.33 H new ATOM 0 HG21 ILE A 9 8.846 1.724 -9.243 1.00 21.42 H new ATOM 0 HG22 ILE A 9 8.229 2.620 -10.652 1.00 21.42 H new ATOM 0 HG23 ILE A 9 9.974 2.308 -10.489 1.00 21.42 H new ATOM 0 HD11 ILE A 9 10.877 2.680 -6.356 1.00 54.25 H new ATOM 0 HD12 ILE A 9 9.133 2.994 -6.529 1.00 54.25 H new ATOM 0 HD13 ILE A 9 9.910 1.723 -7.504 1.00 54.25 H new ATOM 168 N TRP A 10 10.902 4.178 -11.974 1.00 4.31 N ATOM 169 CA TRP A 10 12.151 3.913 -12.680 1.00 11.12 C ATOM 170 C TRP A 10 12.961 5.193 -12.853 1.00 1.04 C ATOM 171 O TRP A 10 14.179 5.198 -12.670 1.00 23.02 O ATOM 172 CB TRP A 10 11.865 3.287 -14.046 1.00 3.30 C ATOM 173 CG TRP A 10 11.953 1.791 -14.044 1.00 42.10 C ATOM 174 CD1 TRP A 10 10.931 0.910 -14.253 1.00 30.23 C ATOM 175 CD2 TRP A 10 13.127 1.002 -13.821 1.00 33.12 C ATOM 176 NE1 TRP A 10 11.398 -0.380 -14.173 1.00 5.14 N ATOM 177 CE2 TRP A 10 12.742 -0.350 -13.909 1.00 64.44 C ATOM 178 CE3 TRP A 10 14.465 1.306 -13.557 1.00 31.21 C ATOM 179 CZ2 TRP A 10 13.649 -1.394 -13.742 1.00 13.01 C ATOM 180 CZ3 TRP A 10 15.363 0.269 -13.391 1.00 21.14 C ATOM 181 CH2 TRP A 10 14.952 -1.068 -13.484 1.00 44.54 C ATOM 0 H TRP A 10 10.064 3.870 -12.468 1.00 4.31 H new ATOM 0 HA TRP A 10 12.736 3.214 -12.083 1.00 11.12 H new ATOM 0 HB2 TRP A 10 10.869 3.585 -14.373 1.00 3.30 H new ATOM 0 HB3 TRP A 10 12.571 3.684 -14.775 1.00 3.30 H new ATOM 0 HD1 TRP A 10 9.906 1.186 -14.452 1.00 30.23 H new ATOM 0 HE1 TRP A 10 10.836 -1.223 -14.291 1.00 5.14 H new ATOM 0 HE3 TRP A 10 14.791 2.333 -13.484 1.00 31.21 H new ATOM 0 HZ2 TRP A 10 13.334 -2.425 -13.814 1.00 13.01 H new ATOM 0 HZ3 TRP A 10 16.400 0.492 -13.186 1.00 21.14 H new ATOM 0 HH2 TRP A 10 15.678 -1.856 -13.349 1.00 44.54 H new ATOM 192 N LEU A 11 12.279 6.277 -13.205 1.00 72.24 N ATOM 193 CA LEU A 11 12.936 7.564 -13.403 1.00 1.25 C ATOM 194 C LEU A 11 13.201 8.251 -12.066 1.00 62.54 C ATOM 195 O LEU A 11 14.204 8.946 -11.902 1.00 70.04 O ATOM 196 CB LEU A 11 12.078 8.467 -14.291 1.00 32.52 C ATOM 197 CG LEU A 11 12.198 8.235 -15.798 1.00 14.15 C ATOM 198 CD1 LEU A 11 10.885 8.560 -16.494 1.00 30.35 C ATOM 199 CD2 LEU A 11 13.331 9.069 -16.377 1.00 0.13 C ATOM 0 H LEU A 11 11.271 6.290 -13.359 1.00 72.24 H new ATOM 0 HA LEU A 11 13.892 7.384 -13.895 1.00 1.25 H new ATOM 0 HB2 LEU A 11 11.034 8.338 -14.006 1.00 32.52 H new ATOM 0 HB3 LEU A 11 12.340 9.504 -14.081 1.00 32.52 H new ATOM 0 HG LEU A 11 12.425 7.182 -15.968 1.00 14.15 H new ATOM 0 HD11 LEU A 11 10.989 8.389 -17.565 1.00 30.35 H new ATOM 0 HD12 LEU A 11 10.096 7.920 -16.099 1.00 30.35 H new ATOM 0 HD13 LEU A 11 10.628 9.604 -16.316 1.00 30.35 H new ATOM 0 HD21 LEU A 11 13.402 8.891 -17.450 1.00 0.13 H new ATOM 0 HD22 LEU A 11 13.134 10.126 -16.196 1.00 0.13 H new ATOM 0 HD23 LEU A 11 14.270 8.788 -15.900 1.00 0.13 H new ATOM 211 N TYR A 12 12.298 8.049 -11.114 1.00 75.31 N ATOM 212 CA TYR A 12 12.434 8.648 -9.792 1.00 15.11 C ATOM 213 C TYR A 12 13.467 7.898 -8.957 1.00 71.22 C ATOM 214 O TYR A 12 13.795 8.305 -7.843 1.00 25.20 O ATOM 215 CB TYR A 12 11.085 8.653 -9.070 1.00 50.31 C ATOM 216 CG TYR A 12 10.043 9.520 -9.740 1.00 10.41 C ATOM 217 CD1 TYR A 12 10.406 10.672 -10.426 1.00 40.53 C ATOM 218 CD2 TYR A 12 8.695 9.187 -9.687 1.00 61.30 C ATOM 219 CE1 TYR A 12 9.457 11.468 -11.039 1.00 22.11 C ATOM 220 CE2 TYR A 12 7.740 9.975 -10.298 1.00 55.41 C ATOM 221 CZ TYR A 12 8.125 11.115 -10.972 1.00 45.13 C ATOM 222 OH TYR A 12 7.177 11.904 -11.582 1.00 44.05 O ATOM 0 H TYR A 12 11.463 7.475 -11.233 1.00 75.31 H new ATOM 0 HA TYR A 12 12.774 9.676 -9.920 1.00 15.11 H new ATOM 0 HB2 TYR A 12 10.711 7.631 -9.010 1.00 50.31 H new ATOM 0 HB3 TYR A 12 11.231 9.000 -8.047 1.00 50.31 H new ATOM 0 HD1 TYR A 12 11.448 10.950 -10.481 1.00 40.53 H new ATOM 0 HD2 TYR A 12 8.389 8.296 -9.159 1.00 61.30 H new ATOM 0 HE1 TYR A 12 9.756 12.361 -11.567 1.00 22.11 H new ATOM 0 HE2 TYR A 12 6.697 9.700 -10.248 1.00 55.41 H new ATOM 0 HH TYR A 12 6.288 11.515 -11.442 1.00 44.05 H new ATOM 232 N SER A 13 13.976 6.799 -9.506 1.00 2.34 N ATOM 233 CA SER A 13 14.970 5.989 -8.812 1.00 22.23 C ATOM 234 C SER A 13 16.146 5.668 -9.729 1.00 60.14 C ATOM 235 O SER A 13 16.842 4.671 -9.539 1.00 73.24 O ATOM 236 CB SER A 13 14.337 4.692 -8.303 1.00 1.31 C ATOM 237 OG SER A 13 14.672 4.459 -6.946 1.00 3.41 O ATOM 0 H SER A 13 13.716 6.450 -10.429 1.00 2.34 H new ATOM 0 HA SER A 13 15.340 6.562 -7.962 1.00 22.23 H new ATOM 0 HB2 SER A 13 13.254 4.746 -8.409 1.00 1.31 H new ATOM 0 HB3 SER A 13 14.675 3.855 -8.913 1.00 1.31 H new ATOM 0 HG SER A 13 14.254 3.625 -6.644 1.00 3.41 H new ATOM 243 N ALA A 14 16.361 6.521 -10.725 1.00 41.14 N ATOM 244 CA ALA A 14 17.453 6.331 -11.672 1.00 60.20 C ATOM 245 C ALA A 14 18.418 7.512 -11.642 1.00 75.42 C ATOM 246 O ALA A 14 19.618 7.351 -11.865 1.00 52.51 O ATOM 247 CB ALA A 14 16.905 6.130 -13.077 1.00 14.10 C ATOM 0 H ALA A 14 15.793 7.351 -10.897 1.00 41.14 H new ATOM 0 HA ALA A 14 18.004 5.438 -11.378 1.00 60.20 H new ATOM 0 HB1 ALA A 14 17.732 5.989 -13.773 1.00 14.10 H new ATOM 0 HB2 ALA A 14 16.262 5.250 -13.094 1.00 14.10 H new ATOM 0 HB3 ALA A 14 16.328 7.007 -13.371 1.00 14.10 H new ATOM 253 N PHE A 15 17.885 8.698 -11.366 1.00 63.52 N ATOM 254 CA PHE A 15 18.699 9.906 -11.309 1.00 42.21 C ATOM 255 C PHE A 15 19.327 10.075 -9.928 1.00 74.44 C ATOM 256 O PHE A 15 19.986 11.077 -9.653 1.00 30.03 O ATOM 257 CB PHE A 15 17.852 11.134 -11.650 1.00 33.32 C ATOM 258 CG PHE A 15 18.070 11.644 -13.045 1.00 50.25 C ATOM 259 CD1 PHE A 15 17.460 11.027 -14.126 1.00 44.31 C ATOM 260 CD2 PHE A 15 18.884 12.741 -13.277 1.00 2.23 C ATOM 261 CE1 PHE A 15 17.660 11.495 -15.411 1.00 63.33 C ATOM 262 CE2 PHE A 15 19.087 13.213 -14.560 1.00 4.32 C ATOM 263 CZ PHE A 15 18.474 12.590 -15.628 1.00 73.34 C ATOM 0 H PHE A 15 16.894 8.848 -11.179 1.00 63.52 H new ATOM 0 HA PHE A 15 19.499 9.809 -12.043 1.00 42.21 H new ATOM 0 HB2 PHE A 15 16.798 10.885 -11.523 1.00 33.32 H new ATOM 0 HB3 PHE A 15 18.079 11.930 -10.941 1.00 33.32 H new ATOM 0 HD1 PHE A 15 16.822 10.171 -13.962 1.00 44.31 H new ATOM 0 HD2 PHE A 15 19.366 13.233 -12.445 1.00 2.23 H new ATOM 0 HE1 PHE A 15 17.180 11.005 -16.245 1.00 63.33 H new ATOM 0 HE2 PHE A 15 19.725 14.069 -14.727 1.00 4.32 H new ATOM 0 HZ PHE A 15 18.630 12.958 -16.631 1.00 73.34 H new ATOM 273 N ARG A 16 19.116 9.087 -9.065 1.00 33.22 N ATOM 274 CA ARG A 16 19.658 9.126 -7.712 1.00 64.42 C ATOM 275 C ARG A 16 20.759 8.084 -7.538 1.00 65.41 C ATOM 276 O ARG A 16 21.771 8.337 -6.885 1.00 52.42 O ATOM 277 CB ARG A 16 18.548 8.886 -6.687 1.00 42.13 C ATOM 278 CG ARG A 16 17.471 9.958 -6.695 1.00 75.11 C ATOM 279 CD ARG A 16 17.993 11.277 -6.147 1.00 73.05 C ATOM 280 NE ARG A 16 17.685 12.397 -7.033 1.00 4.23 N ATOM 281 CZ ARG A 16 17.714 13.668 -6.647 1.00 22.01 C ATOM 282 NH1 ARG A 16 18.035 13.978 -5.399 1.00 2.25 N ATOM 283 NH2 ARG A 16 17.422 14.632 -7.511 1.00 60.31 N ATOM 0 H ARG A 16 18.574 8.250 -9.278 1.00 33.22 H new ATOM 0 HA ARG A 16 20.087 10.115 -7.548 1.00 64.42 H new ATOM 0 HB2 ARG A 16 18.087 7.918 -6.883 1.00 42.13 H new ATOM 0 HB3 ARG A 16 18.989 8.833 -5.692 1.00 42.13 H new ATOM 0 HG2 ARG A 16 17.109 10.104 -7.713 1.00 75.11 H new ATOM 0 HG3 ARG A 16 16.621 9.626 -6.099 1.00 75.11 H new ATOM 0 HD2 ARG A 16 17.556 11.460 -5.165 1.00 73.05 H new ATOM 0 HD3 ARG A 16 19.072 11.210 -6.008 1.00 73.05 H new ATOM 0 HE ARG A 16 17.434 12.192 -8.000 1.00 4.23 H new ATOM 0 HH11 ARG A 16 18.261 13.240 -4.732 1.00 2.25 H new ATOM 0 HH12 ARG A 16 18.056 14.955 -5.105 1.00 2.25 H new ATOM 0 HH21 ARG A 16 17.175 14.398 -8.472 1.00 60.31 H new ATOM 0 HH22 ARG A 16 17.445 15.607 -7.214 1.00 60.31 H new ATOM 297 N GLY A 17 20.554 6.909 -8.127 1.00 45.20 N ATOM 298 CA GLY A 17 21.537 5.846 -8.025 1.00 4.43 C ATOM 299 C GLY A 17 22.388 5.721 -9.273 1.00 40.20 C ATOM 300 O GLY A 17 23.078 4.720 -9.465 1.00 72.23 O ATOM 0 H GLY A 17 19.725 6.675 -8.673 1.00 45.20 H new ATOM 0 HA2 GLY A 17 22.182 6.033 -7.167 1.00 4.43 H new ATOM 0 HA3 GLY A 17 21.027 4.900 -7.841 1.00 4.43 H new ATOM 304 N VAL A 18 22.339 6.740 -10.126 1.00 33.14 N ATOM 305 CA VAL A 18 23.110 6.740 -11.363 1.00 23.43 C ATOM 306 C VAL A 18 23.513 8.155 -11.760 1.00 0.44 C ATOM 307 O VAL A 18 23.682 8.454 -12.941 1.00 44.03 O ATOM 308 CB VAL A 18 22.318 6.100 -12.518 1.00 71.12 C ATOM 309 CG1 VAL A 18 23.248 5.731 -13.664 1.00 11.40 C ATOM 310 CG2 VAL A 18 21.553 4.880 -12.028 1.00 30.21 C ATOM 0 H VAL A 18 21.773 7.576 -9.982 1.00 33.14 H new ATOM 0 HA VAL A 18 24.007 6.149 -11.176 1.00 23.43 H new ATOM 0 HB VAL A 18 21.597 6.829 -12.888 1.00 71.12 H new ATOM 0 HG11 VAL A 18 22.670 5.280 -14.471 1.00 11.40 H new ATOM 0 HG12 VAL A 18 23.746 6.628 -14.032 1.00 11.40 H new ATOM 0 HG13 VAL A 18 23.995 5.020 -13.312 1.00 11.40 H new ATOM 0 HG21 VAL A 18 20.999 4.441 -12.858 1.00 30.21 H new ATOM 0 HG22 VAL A 18 22.254 4.146 -11.631 1.00 30.21 H new ATOM 0 HG23 VAL A 18 20.857 5.178 -11.244 1.00 30.21 H new ATOM 320 N GLN A 19 23.665 9.023 -10.764 1.00 31.41 N ATOM 321 CA GLN A 19 24.048 10.408 -11.010 1.00 32.11 C ATOM 322 C GLN A 19 24.874 10.958 -9.852 1.00 50.10 C ATOM 323 O GLN A 19 26.095 11.089 -9.954 1.00 15.34 O ATOM 324 CB GLN A 19 22.804 11.273 -11.221 1.00 1.10 C ATOM 325 CG GLN A 19 23.116 12.747 -11.423 1.00 13.34 C ATOM 326 CD GLN A 19 22.605 13.612 -10.287 1.00 5.21 C ATOM 327 OE1 GLN A 19 23.383 14.267 -9.592 1.00 42.34 O ATOM 328 NE2 GLN A 19 21.292 13.619 -10.092 1.00 0.23 N ATOM 0 H GLN A 19 23.529 8.791 -9.780 1.00 31.41 H new ATOM 0 HA GLN A 19 24.658 10.435 -11.913 1.00 32.11 H new ATOM 0 HB2 GLN A 19 22.257 10.903 -12.089 1.00 1.10 H new ATOM 0 HB3 GLN A 19 22.145 11.164 -10.359 1.00 1.10 H new ATOM 0 HG2 GLN A 19 24.194 12.877 -11.517 1.00 13.34 H new ATOM 0 HG3 GLN A 19 22.671 13.084 -12.360 1.00 13.34 H new ATOM 0 HE21 GLN A 19 20.684 13.061 -10.692 1.00 0.23 H new ATOM 0 HE22 GLN A 19 20.891 14.182 -9.342 1.00 0.23 H new ATOM 337 N LEU A 20 24.202 11.279 -8.752 1.00 74.12 N ATOM 338 CA LEU A 20 24.874 11.816 -7.574 1.00 34.31 C ATOM 339 C LEU A 20 25.419 10.692 -6.698 1.00 75.24 C ATOM 340 O LEU A 20 26.179 10.933 -5.761 1.00 4.15 O ATOM 341 CB LEU A 20 23.910 12.686 -6.765 1.00 41.12 C ATOM 342 CG LEU A 20 24.551 13.775 -5.904 1.00 51.22 C ATOM 343 CD1 LEU A 20 24.421 15.133 -6.577 1.00 34.12 C ATOM 344 CD2 LEU A 20 23.920 13.801 -4.520 1.00 13.02 C ATOM 0 H LEU A 20 23.192 11.177 -8.651 1.00 74.12 H new ATOM 0 HA LEU A 20 25.711 12.428 -7.911 1.00 34.31 H new ATOM 0 HB2 LEU A 20 23.213 13.160 -7.456 1.00 41.12 H new ATOM 0 HB3 LEU A 20 23.323 12.036 -6.116 1.00 41.12 H new ATOM 0 HG LEU A 20 25.611 13.547 -5.794 1.00 51.22 H new ATOM 0 HD11 LEU A 20 24.883 15.896 -5.950 1.00 34.12 H new ATOM 0 HD12 LEU A 20 24.920 15.108 -7.546 1.00 34.12 H new ATOM 0 HD13 LEU A 20 23.366 15.369 -6.719 1.00 34.12 H new ATOM 0 HD21 LEU A 20 24.389 14.582 -3.921 1.00 13.02 H new ATOM 0 HD22 LEU A 20 22.853 14.004 -4.610 1.00 13.02 H new ATOM 0 HD23 LEU A 20 24.066 12.836 -4.035 1.00 13.02 H new ATOM 356 N THR A 21 25.026 9.461 -7.012 1.00 30.11 N ATOM 357 CA THR A 21 25.475 8.299 -6.255 1.00 44.32 C ATOM 358 C THR A 21 26.391 7.416 -7.095 1.00 50.33 C ATOM 359 O THR A 21 27.259 6.723 -6.565 1.00 3.34 O ATOM 360 CB THR A 21 24.285 7.458 -5.758 1.00 32.04 C ATOM 361 OG1 THR A 21 23.450 8.248 -4.903 1.00 71.24 O ATOM 362 CG2 THR A 21 24.769 6.227 -5.005 1.00 54.44 C ATOM 0 H THR A 21 24.398 9.243 -7.785 1.00 30.11 H new ATOM 0 HA THR A 21 26.028 8.677 -5.395 1.00 44.32 H new ATOM 0 HB THR A 21 23.712 7.132 -6.626 1.00 32.04 H new ATOM 0 HG1 THR A 21 22.748 8.676 -5.436 1.00 71.24 H new ATOM 0 HG21 THR A 21 23.911 5.648 -4.664 1.00 54.44 H new ATOM 0 HG22 THR A 21 25.381 5.613 -5.666 1.00 54.44 H new ATOM 0 HG23 THR A 21 25.363 6.537 -4.145 1.00 54.44 H new ATOM 370 N TYR A 22 26.192 7.446 -8.408 1.00 42.43 N ATOM 371 CA TYR A 22 26.999 6.647 -9.322 1.00 65.11 C ATOM 372 C TYR A 22 28.484 6.948 -9.143 1.00 24.23 C ATOM 373 O TYR A 22 29.304 6.037 -9.037 1.00 24.44 O ATOM 374 CB TYR A 22 26.585 6.915 -10.770 1.00 33.31 C ATOM 375 CG TYR A 22 26.643 5.689 -11.653 1.00 64.11 C ATOM 376 CD1 TYR A 22 26.002 4.512 -11.285 1.00 43.31 C ATOM 377 CD2 TYR A 22 27.340 5.707 -12.855 1.00 25.33 C ATOM 378 CE1 TYR A 22 26.054 3.389 -12.088 1.00 54.54 C ATOM 379 CE2 TYR A 22 27.396 4.589 -13.665 1.00 51.30 C ATOM 380 CZ TYR A 22 26.751 3.433 -13.278 1.00 2.15 C ATOM 381 OH TYR A 22 26.805 2.317 -14.081 1.00 42.42 O ATOM 0 H TYR A 22 25.478 8.015 -8.863 1.00 42.43 H new ATOM 0 HA TYR A 22 26.829 5.595 -9.091 1.00 65.11 H new ATOM 0 HB2 TYR A 22 25.570 7.313 -10.781 1.00 33.31 H new ATOM 0 HB3 TYR A 22 27.234 7.685 -11.188 1.00 33.31 H new ATOM 0 HD1 TYR A 22 25.454 4.475 -10.355 1.00 43.31 H new ATOM 0 HD2 TYR A 22 27.847 6.610 -13.161 1.00 25.33 H new ATOM 0 HE1 TYR A 22 25.552 2.482 -11.786 1.00 54.54 H new ATOM 0 HE2 TYR A 22 27.942 4.620 -14.596 1.00 51.30 H new ATOM 0 HH TYR A 22 27.334 2.515 -14.882 1.00 42.42 H new ATOM 391 N GLU A 23 28.821 8.233 -9.109 1.00 42.43 N ATOM 392 CA GLU A 23 30.207 8.655 -8.943 1.00 1.11 C ATOM 393 C GLU A 23 30.845 7.964 -7.741 1.00 44.51 C ATOM 394 O GLU A 23 30.315 8.011 -6.631 1.00 24.45 O ATOM 395 CB GLU A 23 30.284 10.174 -8.773 1.00 25.33 C ATOM 396 CG GLU A 23 30.972 10.881 -9.928 1.00 5.41 C ATOM 397 CD GLU A 23 31.472 12.263 -9.552 1.00 34.04 C ATOM 398 OE1 GLU A 23 32.562 12.357 -8.951 1.00 0.22 O ATOM 399 OE2 GLU A 23 30.771 13.250 -9.859 1.00 11.22 O ATOM 0 H GLU A 23 28.154 9.000 -9.194 1.00 42.43 H new ATOM 0 HA GLU A 23 30.758 8.369 -9.839 1.00 1.11 H new ATOM 0 HB2 GLU A 23 29.275 10.571 -8.665 1.00 25.33 H new ATOM 0 HB3 GLU A 23 30.817 10.401 -7.850 1.00 25.33 H new ATOM 0 HG2 GLU A 23 31.811 10.276 -10.271 1.00 5.41 H new ATOM 0 HG3 GLU A 23 30.277 10.965 -10.763 1.00 5.41 H new ATOM 406 N HIS A 24 31.987 7.324 -7.972 1.00 21.33 N ATOM 407 CA HIS A 24 32.699 6.623 -6.909 1.00 34.14 C ATOM 408 C HIS A 24 33.999 6.019 -7.431 1.00 75.03 C ATOM 409 O HIS A 24 35.041 6.105 -6.782 1.00 45.41 O ATOM 410 CB HIS A 24 31.816 5.526 -6.313 1.00 22.43 C ATOM 411 CG HIS A 24 31.624 5.649 -4.832 1.00 45.05 C ATOM 412 ND1 HIS A 24 30.383 5.750 -4.240 1.00 63.41 N ATOM 413 CD2 HIS A 24 32.526 5.686 -3.823 1.00 75.01 C ATOM 414 CE1 HIS A 24 30.529 5.845 -2.931 1.00 23.03 C ATOM 415 NE2 HIS A 24 31.820 5.808 -2.651 1.00 52.35 N ATOM 0 H HIS A 24 32.439 7.276 -8.885 1.00 21.33 H new ATOM 0 HA HIS A 24 32.943 7.346 -6.131 1.00 34.14 H new ATOM 0 HB2 HIS A 24 30.841 5.551 -6.801 1.00 22.43 H new ATOM 0 HB3 HIS A 24 32.259 4.555 -6.534 1.00 22.43 H new ATOM 0 HD2 HIS A 24 33.600 5.630 -3.921 1.00 75.01 H new ATOM 0 HE1 HIS A 24 29.729 5.937 -2.211 1.00 23.03 H new ATOM 0 HE2 HIS A 24 32.226 5.861 -1.717 1.00 52.35 H new ATOM 423 N THR A 25 33.929 5.406 -8.609 1.00 43.11 N ATOM 424 CA THR A 25 35.099 4.786 -9.218 1.00 42.10 C ATOM 425 C THR A 25 35.085 4.955 -10.733 1.00 70.30 C ATOM 426 O THR A 25 36.112 5.248 -11.344 1.00 1.52 O ATOM 427 CB THR A 25 35.179 3.285 -8.881 1.00 4.34 C ATOM 428 OG1 THR A 25 34.964 3.086 -7.479 1.00 40.10 O ATOM 429 CG2 THR A 25 36.532 2.713 -9.277 1.00 72.15 C ATOM 0 H THR A 25 33.074 5.326 -9.160 1.00 43.11 H new ATOM 0 HA THR A 25 35.974 5.290 -8.807 1.00 42.10 H new ATOM 0 HB THR A 25 34.404 2.767 -9.445 1.00 4.34 H new ATOM 0 HG1 THR A 25 35.015 2.129 -7.273 1.00 40.10 H new ATOM 0 HG21 THR A 25 36.565 1.652 -9.029 1.00 72.15 H new ATOM 0 HG22 THR A 25 36.681 2.840 -10.349 1.00 72.15 H new ATOM 0 HG23 THR A 25 37.321 3.236 -8.736 1.00 72.15 H new ATOM 437 N MET A 26 33.914 4.767 -11.334 1.00 3.55 N ATOM 438 CA MET A 26 33.767 4.901 -12.778 1.00 51.12 C ATOM 439 C MET A 26 33.705 6.370 -13.185 1.00 2.02 C ATOM 440 O MET A 26 34.633 6.893 -13.805 1.00 34.44 O ATOM 441 CB MET A 26 32.507 4.175 -13.253 1.00 52.02 C ATOM 442 CG MET A 26 32.350 4.156 -14.765 1.00 14.30 C ATOM 443 SD MET A 26 31.651 2.609 -15.372 1.00 31.35 S ATOM 444 CE MET A 26 33.141 1.675 -15.713 1.00 11.32 C ATOM 0 H MET A 26 33.054 4.522 -10.843 1.00 3.55 H new ATOM 0 HA MET A 26 34.639 4.448 -13.250 1.00 51.12 H new ATOM 0 HB2 MET A 26 32.528 3.149 -12.885 1.00 52.02 H new ATOM 0 HB3 MET A 26 31.633 4.654 -12.811 1.00 52.02 H new ATOM 0 HG2 MET A 26 31.710 4.984 -15.070 1.00 14.30 H new ATOM 0 HG3 MET A 26 33.323 4.317 -15.229 1.00 14.30 H new ATOM 0 HE1 MET A 26 32.873 0.691 -16.097 1.00 11.32 H new ATOM 0 HE2 MET A 26 33.740 2.203 -16.455 1.00 11.32 H new ATOM 0 HE3 MET A 26 33.718 1.562 -14.795 1.00 11.32 H new ATOM 454 N LEU A 27 32.608 7.031 -12.833 1.00 30.01 N ATOM 455 CA LEU A 27 32.425 8.441 -13.162 1.00 23.54 C ATOM 456 C LEU A 27 33.360 9.318 -12.335 1.00 70.11 C ATOM 457 O LEU A 27 33.722 10.418 -12.751 1.00 11.33 O ATOM 458 CB LEU A 27 30.973 8.856 -12.923 1.00 12.25 C ATOM 459 CG LEU A 27 30.068 8.873 -14.155 1.00 32.41 C ATOM 460 CD1 LEU A 27 30.003 7.491 -14.788 1.00 12.41 C ATOM 461 CD2 LEU A 27 28.674 9.359 -13.786 1.00 74.44 C ATOM 0 H LEU A 27 31.832 6.614 -12.320 1.00 30.01 H new ATOM 0 HA LEU A 27 32.666 8.578 -14.216 1.00 23.54 H new ATOM 0 HB2 LEU A 27 30.539 8.179 -12.188 1.00 12.25 H new ATOM 0 HB3 LEU A 27 30.969 9.852 -12.480 1.00 12.25 H new ATOM 0 HG LEU A 27 30.491 9.565 -14.884 1.00 32.41 H new ATOM 0 HD11 LEU A 27 29.354 7.522 -15.663 1.00 12.41 H new ATOM 0 HD12 LEU A 27 31.004 7.181 -15.089 1.00 12.41 H new ATOM 0 HD13 LEU A 27 29.604 6.778 -14.066 1.00 12.41 H new ATOM 0 HD21 LEU A 27 28.043 9.365 -14.675 1.00 74.44 H new ATOM 0 HD22 LEU A 27 28.242 8.693 -13.039 1.00 74.44 H new ATOM 0 HD23 LEU A 27 28.736 10.368 -13.379 1.00 74.44 H new ATOM 473 N GLN A 28 33.748 8.822 -11.165 1.00 30.13 N ATOM 474 CA GLN A 28 34.642 9.561 -10.281 1.00 30.30 C ATOM 475 C GLN A 28 35.892 10.016 -11.027 1.00 72.54 C ATOM 476 O GLN A 28 36.189 11.208 -11.093 1.00 41.44 O ATOM 477 CB GLN A 28 35.036 8.697 -9.081 1.00 51.33 C ATOM 478 CG GLN A 28 35.652 9.488 -7.939 1.00 12.25 C ATOM 479 CD GLN A 28 36.894 8.827 -7.374 1.00 33.11 C ATOM 480 OE1 GLN A 28 37.741 8.332 -8.118 1.00 54.13 O ATOM 481 NE2 GLN A 28 37.009 8.815 -6.051 1.00 51.01 N ATOM 0 H GLN A 28 33.458 7.912 -10.807 1.00 30.13 H new ATOM 0 HA GLN A 28 34.112 10.444 -9.925 1.00 30.30 H new ATOM 0 HB2 GLN A 28 34.153 8.174 -8.715 1.00 51.33 H new ATOM 0 HB3 GLN A 28 35.744 7.936 -9.409 1.00 51.33 H new ATOM 0 HG2 GLN A 28 35.905 10.488 -8.290 1.00 12.25 H new ATOM 0 HG3 GLN A 28 34.915 9.606 -7.145 1.00 12.25 H new ATOM 0 HE21 GLN A 28 36.283 9.237 -5.472 1.00 51.01 H new ATOM 0 HE22 GLN A 28 37.823 8.384 -5.614 1.00 51.01 H new ATOM 490 N LYS A 29 36.621 9.057 -11.589 1.00 3.25 N ATOM 491 CA LYS A 29 37.839 9.358 -12.332 1.00 22.14 C ATOM 492 C LYS A 29 37.706 8.932 -13.790 1.00 70.41 C ATOM 493 O LYS A 29 38.700 8.643 -14.457 1.00 10.12 O ATOM 494 CB LYS A 29 39.038 8.655 -11.691 1.00 45.13 C ATOM 495 CG LYS A 29 38.784 7.194 -11.364 1.00 73.12 C ATOM 496 CD LYS A 29 40.047 6.503 -10.879 1.00 32.23 C ATOM 497 CE LYS A 29 40.817 5.875 -12.031 1.00 14.13 C ATOM 498 NZ LYS A 29 42.098 5.267 -11.576 1.00 14.12 N ATOM 0 H LYS A 29 36.389 8.065 -11.544 1.00 3.25 H new ATOM 0 HA LYS A 29 37.998 10.436 -12.300 1.00 22.14 H new ATOM 0 HB2 LYS A 29 39.892 8.724 -12.365 1.00 45.13 H new ATOM 0 HB3 LYS A 29 39.310 9.181 -10.776 1.00 45.13 H new ATOM 0 HG2 LYS A 29 38.011 7.121 -10.599 1.00 73.12 H new ATOM 0 HG3 LYS A 29 38.406 6.683 -12.249 1.00 73.12 H new ATOM 0 HD2 LYS A 29 40.683 7.224 -10.365 1.00 32.23 H new ATOM 0 HD3 LYS A 29 39.786 5.734 -10.152 1.00 32.23 H new ATOM 0 HE2 LYS A 29 40.201 5.111 -12.506 1.00 14.13 H new ATOM 0 HE3 LYS A 29 41.023 6.633 -12.786 1.00 14.13 H new ATOM 0 HZ1 LYS A 29 42.593 4.850 -12.390 1.00 14.12 H new ATOM 0 HZ2 LYS A 29 42.697 6.000 -11.146 1.00 14.12 H new ATOM 0 HZ3 LYS A 29 41.900 4.526 -10.874 1.00 14.12 H new ATOM 512 N LYS A 30 36.472 8.895 -14.281 1.00 13.43 N ATOM 513 CA LYS A 30 36.208 8.507 -15.661 1.00 53.32 C ATOM 514 C LYS A 30 36.824 7.147 -15.971 1.00 43.15 C ATOM 515 O LYS A 30 36.936 6.291 -15.094 1.00 31.40 O ATOM 516 CB LYS A 30 36.760 9.561 -16.623 1.00 44.15 C ATOM 517 CG LYS A 30 35.803 10.712 -16.880 1.00 3.30 C ATOM 518 CD LYS A 30 35.553 11.521 -15.618 1.00 50.12 C ATOM 519 CE LYS A 30 34.682 12.736 -15.899 1.00 2.23 C ATOM 520 NZ LYS A 30 34.868 13.800 -14.874 1.00 0.34 N ATOM 0 H LYS A 30 35.638 9.129 -13.743 1.00 13.43 H new ATOM 0 HA LYS A 30 35.128 8.435 -15.792 1.00 53.32 H new ATOM 0 HB2 LYS A 30 37.691 9.958 -16.218 1.00 44.15 H new ATOM 0 HB3 LYS A 30 37.003 9.083 -17.572 1.00 44.15 H new ATOM 0 HG2 LYS A 30 36.212 11.361 -17.654 1.00 3.30 H new ATOM 0 HG3 LYS A 30 34.857 10.323 -17.257 1.00 3.30 H new ATOM 0 HD2 LYS A 30 35.071 10.891 -14.870 1.00 50.12 H new ATOM 0 HD3 LYS A 30 36.505 11.844 -15.197 1.00 50.12 H new ATOM 0 HE2 LYS A 30 34.922 13.135 -16.885 1.00 2.23 H new ATOM 0 HE3 LYS A 30 33.635 12.434 -15.924 1.00 2.23 H new ATOM 0 HZ1 LYS A 30 34.258 14.611 -15.101 1.00 0.34 H new ATOM 0 HZ2 LYS A 30 34.615 13.427 -13.937 1.00 0.34 H new ATOM 0 HZ3 LYS A 30 35.862 14.106 -14.868 1.00 0.34 H new TER 534 LYS A 30