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 24 HIS : no HD1:sc= -1.55 X(o=-0.45,f=-0.37) USER MOD Set 1.2: A 25 THR OG1 : rot 49:sc= 1.09 USER MOD Single : A 1 LYS N :NH3+ 168:sc= -0.0144 (180deg=-0.276) 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 -52:sc= 0.192 USER MOD Single : A 19 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.28) USER MOD Single : A 21 THR OG1 : rot 95:sc= 0.955 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -145:sc= -0.096 (180deg=-1.84) USER MOD Single : A 28 GLN : amide:sc=-0.00329 K(o=-0.0033,f=-1.1) 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 -1.217 1.236 0.000 1.00 65.12 N ATOM 2 CA LYS A 1 -1.292 2.691 0.039 1.00 53.44 C ATOM 3 C LYS A 1 -1.360 3.271 -1.371 1.00 31.51 C ATOM 4 O LYS A 1 -0.933 4.400 -1.611 1.00 0.14 O ATOM 5 CB LYS A 1 -0.083 3.266 0.780 1.00 51.01 C ATOM 6 CG LYS A 1 -0.309 4.669 1.317 1.00 70.22 C ATOM 7 CD LYS A 1 0.144 4.792 2.762 1.00 14.31 C ATOM 8 CE LYS A 1 -1.030 4.693 3.724 1.00 33.21 C ATOM 9 NZ LYS A 1 -0.583 4.669 5.144 1.00 0.13 N ATOM 0 H1 LYS A 1 -0.969 0.876 0.944 1.00 65.12 H new ATOM 0 H2 LYS A 1 -2.138 0.848 -0.287 1.00 65.12 H new ATOM 0 H3 LYS A 1 -0.490 0.944 -0.684 1.00 65.12 H new ATOM 0 HA LYS A 1 -2.202 2.968 0.571 1.00 53.44 H new ATOM 0 HB2 LYS A 1 0.172 2.606 1.609 1.00 51.01 H new ATOM 0 HB3 LYS A 1 0.774 3.278 0.106 1.00 51.01 H new ATOM 0 HG2 LYS A 1 0.234 5.387 0.702 1.00 70.22 H new ATOM 0 HG3 LYS A 1 -1.367 4.922 1.243 1.00 70.22 H new ATOM 0 HD2 LYS A 1 0.867 4.007 2.986 1.00 14.31 H new ATOM 0 HD3 LYS A 1 0.654 5.745 2.905 1.00 14.31 H new ATOM 0 HE2 LYS A 1 -1.699 5.539 3.568 1.00 33.21 H new ATOM 0 HE3 LYS A 1 -1.601 3.790 3.508 1.00 33.21 H new ATOM 0 HZ1 LYS A 1 -1.412 4.601 5.768 1.00 0.13 H new ATOM 0 HZ2 LYS A 1 0.036 3.847 5.299 1.00 0.13 H new ATOM 0 HZ3 LYS A 1 -0.060 5.542 5.358 1.00 0.13 H new ATOM 23 N LYS A 2 -1.901 2.490 -2.301 1.00 4.42 N ATOM 24 CA LYS A 2 -2.027 2.926 -3.687 1.00 34.05 C ATOM 25 C LYS A 2 -0.686 3.405 -4.231 1.00 64.13 C ATOM 26 O LYS A 2 -0.476 4.602 -4.426 1.00 40.23 O ATOM 27 CB LYS A 2 -3.064 4.046 -3.798 1.00 11.23 C ATOM 28 CG LYS A 2 -4.468 3.548 -4.095 1.00 41.42 C ATOM 29 CD LYS A 2 -5.228 4.521 -4.981 1.00 73.34 C ATOM 30 CE LYS A 2 -6.350 3.825 -5.737 1.00 51.44 C ATOM 31 NZ LYS A 2 -7.359 4.795 -6.248 1.00 30.44 N ATOM 0 H LYS A 2 -2.259 1.552 -2.120 1.00 4.42 H new ATOM 0 HA LYS A 2 -2.356 2.074 -4.281 1.00 34.05 H new ATOM 0 HB2 LYS A 2 -3.078 4.611 -2.866 1.00 11.23 H new ATOM 0 HB3 LYS A 2 -2.758 4.736 -4.584 1.00 11.23 H new ATOM 0 HG2 LYS A 2 -4.414 2.575 -4.584 1.00 41.42 H new ATOM 0 HG3 LYS A 2 -5.010 3.406 -3.160 1.00 41.42 H new ATOM 0 HD2 LYS A 2 -5.642 5.324 -4.371 1.00 73.34 H new ATOM 0 HD3 LYS A 2 -4.541 4.982 -5.690 1.00 73.34 H new ATOM 0 HE2 LYS A 2 -5.931 3.263 -6.572 1.00 51.44 H new ATOM 0 HE3 LYS A 2 -6.838 3.105 -5.080 1.00 51.44 H new ATOM 0 HZ1 LYS A 2 -8.107 4.282 -6.757 1.00 30.44 H new ATOM 0 HZ2 LYS A 2 -7.777 5.314 -5.450 1.00 30.44 H new ATOM 0 HZ3 LYS A 2 -6.898 5.467 -6.895 1.00 30.44 H new ATOM 45 N ARG A 3 0.219 2.462 -4.476 1.00 51.41 N ATOM 46 CA ARG A 3 1.540 2.789 -4.999 1.00 22.12 C ATOM 47 C ARG A 3 1.674 2.346 -6.453 1.00 25.43 C ATOM 48 O ARG A 3 2.777 2.077 -6.931 1.00 34.50 O ATOM 49 CB ARG A 3 2.626 2.125 -4.150 1.00 1.42 C ATOM 50 CG ARG A 3 2.809 2.767 -2.784 1.00 53.42 C ATOM 51 CD ARG A 3 4.241 2.632 -2.292 1.00 21.11 C ATOM 52 NE ARG A 3 5.055 3.791 -2.650 1.00 32.42 N ATOM 53 CZ ARG A 3 6.380 3.812 -2.566 1.00 63.01 C ATOM 54 NH1 ARG A 3 7.038 2.743 -2.139 1.00 62.24 N ATOM 55 NH2 ARG A 3 7.051 4.904 -2.910 1.00 54.21 N ATOM 0 H ARG A 3 0.061 1.466 -4.321 1.00 51.41 H new ATOM 0 HA ARG A 3 1.664 3.871 -4.954 1.00 22.12 H new ATOM 0 HB2 ARG A 3 2.378 1.072 -4.017 1.00 1.42 H new ATOM 0 HB3 ARG A 3 3.572 2.164 -4.690 1.00 1.42 H new ATOM 0 HG2 ARG A 3 2.540 3.822 -2.838 1.00 53.42 H new ATOM 0 HG3 ARG A 3 2.132 2.301 -2.068 1.00 53.42 H new ATOM 0 HD2 ARG A 3 4.242 2.509 -1.209 1.00 21.11 H new ATOM 0 HD3 ARG A 3 4.686 1.732 -2.715 1.00 21.11 H new ATOM 0 HE ARG A 3 4.580 4.630 -2.983 1.00 32.42 H new ATOM 0 HH11 ARG A 3 6.526 1.901 -1.874 1.00 62.24 H new ATOM 0 HH12 ARG A 3 8.056 2.762 -2.076 1.00 62.24 H new ATOM 0 HH21 ARG A 3 6.549 5.729 -3.239 1.00 54.21 H new ATOM 0 HH22 ARG A 3 8.069 4.919 -2.845 1.00 54.21 H new ATOM 69 N TYR A 4 0.546 2.271 -7.150 1.00 1.55 N ATOM 70 CA TYR A 4 0.537 1.858 -8.548 1.00 1.03 C ATOM 71 C TYR A 4 -0.669 2.439 -9.280 1.00 21.22 C ATOM 72 O TYR A 4 -1.151 1.867 -10.258 1.00 3.30 O ATOM 73 CB TYR A 4 0.523 0.332 -8.650 1.00 24.10 C ATOM 74 CG TYR A 4 1.873 -0.304 -8.403 1.00 11.31 C ATOM 75 CD1 TYR A 4 2.817 -0.392 -9.418 1.00 61.45 C ATOM 76 CD2 TYR A 4 2.203 -0.816 -7.155 1.00 24.34 C ATOM 77 CE1 TYR A 4 4.051 -0.973 -9.198 1.00 2.23 C ATOM 78 CE2 TYR A 4 3.435 -1.397 -6.924 1.00 65.04 C ATOM 79 CZ TYR A 4 4.356 -1.473 -7.949 1.00 32.20 C ATOM 80 OH TYR A 4 5.584 -2.052 -7.724 1.00 73.20 O ATOM 0 H TYR A 4 -0.374 2.491 -6.769 1.00 1.55 H new ATOM 0 HA TYR A 4 1.443 2.239 -9.019 1.00 1.03 H new ATOM 0 HB2 TYR A 4 -0.193 -0.065 -7.931 1.00 24.10 H new ATOM 0 HB3 TYR A 4 0.172 0.046 -9.641 1.00 24.10 H new ATOM 0 HD1 TYR A 4 2.582 0.001 -10.396 1.00 61.45 H new ATOM 0 HD2 TYR A 4 1.484 -0.759 -6.351 1.00 24.34 H new ATOM 0 HE1 TYR A 4 4.773 -1.035 -9.999 1.00 2.23 H new ATOM 0 HE2 TYR A 4 3.676 -1.789 -5.947 1.00 65.04 H new ATOM 0 HH TYR A 4 5.639 -2.352 -6.793 1.00 73.20 H new ATOM 90 N VAL A 5 -1.152 3.580 -8.799 1.00 3.13 N ATOM 91 CA VAL A 5 -2.300 4.241 -9.407 1.00 11.11 C ATOM 92 C VAL A 5 -2.178 5.757 -9.308 1.00 3.45 C ATOM 93 O VAL A 5 -2.329 6.469 -10.300 1.00 72.01 O ATOM 94 CB VAL A 5 -3.618 3.799 -8.744 1.00 73.01 C ATOM 95 CG1 VAL A 5 -4.803 4.500 -9.391 1.00 40.11 C ATOM 96 CG2 VAL A 5 -3.774 2.288 -8.824 1.00 63.21 C ATOM 0 H VAL A 5 -0.766 4.066 -7.990 1.00 3.13 H new ATOM 0 HA VAL A 5 -2.314 3.949 -10.457 1.00 11.11 H new ATOM 0 HB VAL A 5 -3.588 4.083 -7.692 1.00 73.01 H new ATOM 0 HG11 VAL A 5 -5.725 4.175 -8.909 1.00 40.11 H new ATOM 0 HG12 VAL A 5 -4.694 5.579 -9.277 1.00 40.11 H new ATOM 0 HG13 VAL A 5 -4.840 4.249 -10.451 1.00 40.11 H new ATOM 0 HG21 VAL A 5 -4.711 1.993 -8.351 1.00 63.21 H new ATOM 0 HG22 VAL A 5 -3.782 1.978 -9.869 1.00 63.21 H new ATOM 0 HG23 VAL A 5 -2.941 1.808 -8.310 1.00 63.21 H new ATOM 106 N ALA A 6 -1.902 6.246 -8.103 1.00 22.44 N ATOM 107 CA ALA A 6 -1.756 7.678 -7.874 1.00 32.35 C ATOM 108 C ALA A 6 -0.292 8.099 -7.945 1.00 54.12 C ATOM 109 O ALA A 6 0.098 9.118 -7.377 1.00 41.40 O ATOM 110 CB ALA A 6 -2.352 8.060 -6.527 1.00 12.12 C ATOM 0 H ALA A 6 -1.775 5.671 -7.270 1.00 22.44 H new ATOM 0 HA ALA A 6 -2.297 8.204 -8.661 1.00 32.35 H new ATOM 0 HB1 ALA A 6 -2.236 9.132 -6.369 1.00 12.12 H new ATOM 0 HB2 ALA A 6 -3.411 7.803 -6.512 1.00 12.12 H new ATOM 0 HB3 ALA A 6 -1.836 7.518 -5.734 1.00 12.12 H new ATOM 116 N MET A 7 0.513 7.308 -8.646 1.00 73.44 N ATOM 117 CA MET A 7 1.934 7.600 -8.792 1.00 71.01 C ATOM 118 C MET A 7 2.465 7.067 -10.119 1.00 3.21 C ATOM 119 O MET A 7 3.668 6.858 -10.278 1.00 70.33 O ATOM 120 CB MET A 7 2.723 6.991 -7.632 1.00 24.13 C ATOM 121 CG MET A 7 2.873 7.925 -6.442 1.00 44.21 C ATOM 122 SD MET A 7 3.993 9.299 -6.775 1.00 31.01 S ATOM 123 CE MET A 7 4.859 9.417 -5.211 1.00 74.43 C ATOM 0 H MET A 7 0.206 6.460 -9.122 1.00 73.44 H new ATOM 0 HA MET A 7 2.060 8.683 -8.779 1.00 71.01 H new ATOM 0 HB2 MET A 7 2.226 6.077 -7.306 1.00 24.13 H new ATOM 0 HB3 MET A 7 3.713 6.706 -7.987 1.00 24.13 H new ATOM 0 HG2 MET A 7 1.894 8.318 -6.167 1.00 44.21 H new ATOM 0 HG3 MET A 7 3.242 7.360 -5.586 1.00 44.21 H new ATOM 0 HE1 MET A 7 5.589 10.225 -5.259 1.00 74.43 H new ATOM 0 HE2 MET A 7 4.144 9.621 -4.414 1.00 74.43 H new ATOM 0 HE3 MET A 7 5.371 8.477 -5.007 1.00 74.43 H new ATOM 133 N VAL A 8 1.561 6.849 -11.069 1.00 3.41 N ATOM 134 CA VAL A 8 1.940 6.342 -12.382 1.00 75.23 C ATOM 135 C VAL A 8 1.450 7.267 -13.491 1.00 33.41 C ATOM 136 O VAL A 8 2.123 7.446 -14.506 1.00 61.21 O ATOM 137 CB VAL A 8 1.376 4.928 -12.621 1.00 51.43 C ATOM 138 CG1 VAL A 8 -0.142 4.934 -12.519 1.00 43.34 C ATOM 139 CG2 VAL A 8 1.826 4.398 -13.974 1.00 74.22 C ATOM 0 H VAL A 8 0.561 7.016 -10.954 1.00 3.41 H new ATOM 0 HA VAL A 8 3.029 6.300 -12.403 1.00 75.23 H new ATOM 0 HB VAL A 8 1.765 4.265 -11.849 1.00 51.43 H new ATOM 0 HG11 VAL A 8 -0.522 3.927 -12.691 1.00 43.34 H new ATOM 0 HG12 VAL A 8 -0.439 5.269 -11.525 1.00 43.34 H new ATOM 0 HG13 VAL A 8 -0.554 5.610 -13.268 1.00 43.34 H new ATOM 0 HG21 VAL A 8 1.419 3.398 -14.127 1.00 74.22 H new ATOM 0 HG22 VAL A 8 1.467 5.060 -14.762 1.00 74.22 H new ATOM 0 HG23 VAL A 8 2.915 4.355 -14.004 1.00 74.22 H new ATOM 149 N ILE A 9 0.274 7.852 -13.289 1.00 70.32 N ATOM 150 CA ILE A 9 -0.305 8.760 -14.271 1.00 73.23 C ATOM 151 C ILE A 9 0.062 10.208 -13.965 1.00 64.33 C ATOM 152 O ILE A 9 0.088 11.054 -14.859 1.00 2.12 O ATOM 153 CB ILE A 9 -1.839 8.631 -14.321 1.00 52.02 C ATOM 154 CG1 ILE A 9 -2.243 7.177 -14.573 1.00 22.34 C ATOM 155 CG2 ILE A 9 -2.412 9.539 -15.399 1.00 11.21 C ATOM 156 CD1 ILE A 9 -3.736 6.944 -14.509 1.00 11.42 C ATOM 0 H ILE A 9 -0.296 7.713 -12.455 1.00 70.32 H new ATOM 0 HA ILE A 9 0.107 8.480 -15.241 1.00 73.23 H new ATOM 0 HB ILE A 9 -2.246 8.940 -13.358 1.00 52.02 H new ATOM 0 HG12 ILE A 9 -1.878 6.872 -15.554 1.00 22.34 H new ATOM 0 HG13 ILE A 9 -1.752 6.540 -13.838 1.00 22.34 H new ATOM 0 HG21 ILE A 9 -3.497 9.437 -15.422 1.00 11.21 H new ATOM 0 HG22 ILE A 9 -2.150 10.574 -15.180 1.00 11.21 H new ATOM 0 HG23 ILE A 9 -2.000 9.258 -16.368 1.00 11.21 H new ATOM 0 HD11 ILE A 9 -3.948 5.892 -14.697 1.00 11.42 H new ATOM 0 HD12 ILE A 9 -4.105 7.217 -13.520 1.00 11.42 H new ATOM 0 HD13 ILE A 9 -4.232 7.555 -15.263 1.00 11.42 H new ATOM 168 N TRP A 10 0.348 10.484 -12.698 1.00 53.42 N ATOM 169 CA TRP A 10 0.716 11.831 -12.274 1.00 63.53 C ATOM 170 C TRP A 10 1.948 12.320 -13.028 1.00 12.41 C ATOM 171 O TRP A 10 2.151 13.525 -13.190 1.00 75.40 O ATOM 172 CB TRP A 10 0.980 11.859 -10.768 1.00 21.30 C ATOM 173 CG TRP A 10 -0.208 12.293 -9.965 1.00 35.32 C ATOM 174 CD1 TRP A 10 -0.302 13.402 -9.173 1.00 70.40 C ATOM 175 CD2 TRP A 10 -1.472 11.625 -9.874 1.00 64.21 C ATOM 176 NE1 TRP A 10 -1.547 13.463 -8.596 1.00 13.25 N ATOM 177 CE2 TRP A 10 -2.284 12.385 -9.010 1.00 41.44 C ATOM 178 CE3 TRP A 10 -1.996 10.460 -10.440 1.00 33.21 C ATOM 179 CZ2 TRP A 10 -3.590 12.016 -8.700 1.00 50.11 C ATOM 180 CZ3 TRP A 10 -3.293 10.095 -10.131 1.00 23.53 C ATOM 181 CH2 TRP A 10 -4.078 10.871 -9.268 1.00 70.21 C ATOM 0 H TRP A 10 0.332 9.794 -11.947 1.00 53.42 H new ATOM 0 HA TRP A 10 -0.116 12.498 -12.502 1.00 63.53 H new ATOM 0 HB2 TRP A 10 1.287 10.865 -10.442 1.00 21.30 H new ATOM 0 HB3 TRP A 10 1.813 12.532 -10.565 1.00 21.30 H new ATOM 0 HD1 TRP A 10 0.487 14.124 -9.023 1.00 70.40 H new ATOM 0 HE1 TRP A 10 -1.871 14.193 -7.962 1.00 13.25 H new ATOM 0 HE3 TRP A 10 -1.399 9.856 -11.107 1.00 33.21 H new ATOM 0 HZ2 TRP A 10 -4.197 12.612 -8.035 1.00 50.11 H new ATOM 0 HZ3 TRP A 10 -3.708 9.196 -10.562 1.00 23.53 H new ATOM 0 HH2 TRP A 10 -5.088 10.559 -9.047 1.00 70.21 H new ATOM 192 N LEU A 11 2.768 11.381 -13.487 1.00 14.31 N ATOM 193 CA LEU A 11 3.980 11.718 -14.225 1.00 3.15 C ATOM 194 C LEU A 11 3.857 11.311 -15.689 1.00 44.24 C ATOM 195 O LEU A 11 4.378 11.987 -16.578 1.00 32.44 O ATOM 196 CB LEU A 11 5.192 11.032 -13.593 1.00 24.54 C ATOM 197 CG LEU A 11 5.359 11.219 -12.084 1.00 62.32 C ATOM 198 CD1 LEU A 11 5.738 9.903 -11.422 1.00 13.23 C ATOM 199 CD2 LEU A 11 6.404 12.286 -11.791 1.00 61.55 C ATOM 0 H LEU A 11 2.616 10.380 -13.361 1.00 14.31 H new ATOM 0 HA LEU A 11 4.116 12.798 -14.178 1.00 3.15 H new ATOM 0 HB2 LEU A 11 5.129 9.964 -13.802 1.00 24.54 H new ATOM 0 HB3 LEU A 11 6.091 11.401 -14.086 1.00 24.54 H new ATOM 0 HG LEU A 11 4.406 11.549 -11.670 1.00 62.32 H new ATOM 0 HD11 LEU A 11 5.853 10.055 -10.349 1.00 13.23 H new ATOM 0 HD12 LEU A 11 4.955 9.166 -11.602 1.00 13.23 H new ATOM 0 HD13 LEU A 11 6.678 9.543 -11.840 1.00 13.23 H new ATOM 0 HD21 LEU A 11 6.509 12.406 -10.713 1.00 61.55 H new ATOM 0 HD22 LEU A 11 7.361 11.985 -12.218 1.00 61.55 H new ATOM 0 HD23 LEU A 11 6.091 13.232 -12.232 1.00 61.55 H new ATOM 211 N TYR A 12 3.164 10.205 -15.934 1.00 64.24 N ATOM 212 CA TYR A 12 2.973 9.708 -17.292 1.00 31.34 C ATOM 213 C TYR A 12 2.140 10.684 -18.117 1.00 64.01 C ATOM 214 O TYR A 12 2.240 10.720 -19.343 1.00 61.45 O ATOM 215 CB TYR A 12 2.294 8.337 -17.264 1.00 52.42 C ATOM 216 CG TYR A 12 2.126 7.717 -18.633 1.00 10.30 C ATOM 217 CD1 TYR A 12 3.202 7.129 -19.287 1.00 54.12 C ATOM 218 CD2 TYR A 12 0.893 7.720 -19.272 1.00 54.24 C ATOM 219 CE1 TYR A 12 3.053 6.562 -20.538 1.00 63.12 C ATOM 220 CE2 TYR A 12 0.735 7.154 -20.523 1.00 13.14 C ATOM 221 CZ TYR A 12 1.818 6.576 -21.151 1.00 51.44 C ATOM 222 OH TYR A 12 1.665 6.013 -22.397 1.00 61.34 O ATOM 0 H TYR A 12 2.725 9.635 -15.211 1.00 64.24 H new ATOM 0 HA TYR A 12 3.953 9.611 -17.758 1.00 31.34 H new ATOM 0 HB2 TYR A 12 2.880 7.663 -16.639 1.00 52.42 H new ATOM 0 HB3 TYR A 12 1.314 8.435 -16.796 1.00 52.42 H new ATOM 0 HD1 TYR A 12 4.171 7.115 -18.809 1.00 54.12 H new ATOM 0 HD2 TYR A 12 0.043 8.172 -18.783 1.00 54.24 H new ATOM 0 HE1 TYR A 12 3.900 6.110 -21.033 1.00 63.12 H new ATOM 0 HE2 TYR A 12 -0.231 7.164 -21.006 1.00 13.14 H new ATOM 0 HH TYR A 12 0.733 6.106 -22.686 1.00 61.34 H new ATOM 232 N SER A 13 1.319 11.475 -17.434 1.00 43.54 N ATOM 233 CA SER A 13 0.466 12.451 -18.103 1.00 62.11 C ATOM 234 C SER A 13 0.819 13.870 -17.668 1.00 44.02 C ATOM 235 O SER A 13 -0.019 14.770 -17.708 1.00 31.23 O ATOM 236 CB SER A 13 -1.006 12.164 -17.801 1.00 41.31 C ATOM 237 OG SER A 13 -1.854 12.830 -18.720 1.00 51.54 O ATOM 0 H SER A 13 1.226 11.459 -16.418 1.00 43.54 H new ATOM 0 HA SER A 13 0.633 12.367 -19.177 1.00 62.11 H new ATOM 0 HB2 SER A 13 -1.187 11.090 -17.847 1.00 41.31 H new ATOM 0 HB3 SER A 13 -1.241 12.484 -16.786 1.00 41.31 H new ATOM 0 HG SER A 13 -1.621 13.781 -18.750 1.00 51.54 H new ATOM 243 N ALA A 14 2.067 14.062 -17.253 1.00 64.42 N ATOM 244 CA ALA A 14 2.533 15.371 -16.813 1.00 24.55 C ATOM 245 C ALA A 14 3.734 15.831 -17.633 1.00 34.31 C ATOM 246 O ALA A 14 3.892 17.021 -17.906 1.00 24.24 O ATOM 247 CB ALA A 14 2.886 15.335 -15.333 1.00 34.32 C ATOM 0 H ALA A 14 2.773 13.327 -17.212 1.00 64.42 H new ATOM 0 HA ALA A 14 1.725 16.087 -16.966 1.00 24.55 H new ATOM 0 HB1 ALA A 14 3.233 16.319 -15.018 1.00 34.32 H new ATOM 0 HB2 ALA A 14 2.004 15.059 -14.755 1.00 34.32 H new ATOM 0 HB3 ALA A 14 3.675 14.602 -15.165 1.00 34.32 H new ATOM 253 N PHE A 15 4.577 14.881 -18.023 1.00 71.34 N ATOM 254 CA PHE A 15 5.764 15.189 -18.812 1.00 3.24 C ATOM 255 C PHE A 15 5.436 15.217 -20.301 1.00 61.05 C ATOM 256 O PHE A 15 5.887 16.100 -21.031 1.00 11.31 O ATOM 257 CB PHE A 15 6.864 14.161 -18.539 1.00 44.22 C ATOM 258 CG PHE A 15 8.184 14.778 -18.174 1.00 2.11 C ATOM 259 CD1 PHE A 15 8.806 15.673 -19.029 1.00 42.14 C ATOM 260 CD2 PHE A 15 8.803 14.463 -16.975 1.00 62.51 C ATOM 261 CE1 PHE A 15 10.021 16.243 -18.696 1.00 74.00 C ATOM 262 CE2 PHE A 15 10.017 15.029 -16.636 1.00 42.52 C ATOM 263 CZ PHE A 15 10.627 15.920 -17.498 1.00 63.22 C ATOM 0 H PHE A 15 4.460 13.891 -17.806 1.00 71.34 H new ATOM 0 HA PHE A 15 6.118 16.177 -18.518 1.00 3.24 H new ATOM 0 HB2 PHE A 15 6.543 13.504 -17.731 1.00 44.22 H new ATOM 0 HB3 PHE A 15 6.995 13.538 -19.424 1.00 44.22 H new ATOM 0 HD1 PHE A 15 8.336 15.929 -19.967 1.00 42.14 H new ATOM 0 HD2 PHE A 15 8.331 13.767 -16.297 1.00 62.51 H new ATOM 0 HE1 PHE A 15 10.495 16.940 -19.372 1.00 74.00 H new ATOM 0 HE2 PHE A 15 10.489 14.775 -15.698 1.00 42.52 H new ATOM 0 HZ PHE A 15 11.576 16.363 -17.235 1.00 63.22 H new ATOM 273 N ARG A 16 4.648 14.243 -20.746 1.00 5.10 N ATOM 274 CA ARG A 16 4.261 14.154 -22.149 1.00 11.14 C ATOM 275 C ARG A 16 3.527 15.417 -22.591 1.00 62.31 C ATOM 276 O ARG A 16 3.645 15.846 -23.738 1.00 23.10 O ATOM 277 CB ARG A 16 3.374 12.929 -22.378 1.00 11.11 C ATOM 278 CG ARG A 16 2.946 12.749 -23.825 1.00 42.13 C ATOM 279 CD ARG A 16 4.130 12.413 -24.718 1.00 43.44 C ATOM 280 NE ARG A 16 3.711 11.806 -25.979 1.00 14.34 N ATOM 281 CZ ARG A 16 3.352 10.533 -26.097 1.00 62.33 C ATOM 282 NH1 ARG A 16 3.362 9.736 -25.037 1.00 41.24 N ATOM 283 NH2 ARG A 16 2.982 10.054 -27.278 1.00 64.42 N ATOM 0 H ARG A 16 4.265 13.505 -20.155 1.00 5.10 H new ATOM 0 HA ARG A 16 5.168 14.054 -22.745 1.00 11.14 H new ATOM 0 HB2 ARG A 16 3.910 12.037 -22.053 1.00 11.11 H new ATOM 0 HB3 ARG A 16 2.485 13.013 -21.753 1.00 11.11 H new ATOM 0 HG2 ARG A 16 2.203 11.954 -23.890 1.00 42.13 H new ATOM 0 HG3 ARG A 16 2.468 13.662 -24.181 1.00 42.13 H new ATOM 0 HD2 ARG A 16 4.698 13.320 -24.924 1.00 43.44 H new ATOM 0 HD3 ARG A 16 4.798 11.731 -24.192 1.00 43.44 H new ATOM 0 HE ARG A 16 3.693 12.392 -26.814 1.00 14.34 H new ATOM 0 HH11 ARG A 16 3.646 10.100 -24.128 1.00 41.24 H new ATOM 0 HH12 ARG A 16 3.086 8.759 -25.131 1.00 41.24 H new ATOM 0 HH21 ARG A 16 2.973 10.664 -28.096 1.00 64.42 H new ATOM 0 HH22 ARG A 16 2.706 9.076 -27.368 1.00 64.42 H new ATOM 297 N GLY A 17 2.768 16.007 -21.672 1.00 44.04 N ATOM 298 CA GLY A 17 2.026 17.214 -21.987 1.00 63.31 C ATOM 299 C GLY A 17 2.902 18.292 -22.594 1.00 24.40 C ATOM 300 O GLY A 17 2.453 19.063 -23.442 1.00 22.21 O ATOM 0 H GLY A 17 2.654 15.671 -20.716 1.00 44.04 H new ATOM 0 HA2 GLY A 17 1.221 16.971 -22.681 1.00 63.31 H new ATOM 0 HA3 GLY A 17 1.560 17.597 -21.079 1.00 63.31 H new ATOM 304 N VAL A 18 4.157 18.347 -22.158 1.00 50.31 N ATOM 305 CA VAL A 18 5.099 19.339 -22.663 1.00 55.35 C ATOM 306 C VAL A 18 5.718 18.888 -23.981 1.00 74.15 C ATOM 307 O VAL A 18 5.795 19.659 -24.938 1.00 21.24 O ATOM 308 CB VAL A 18 6.224 19.614 -21.648 1.00 34.21 C ATOM 309 CG1 VAL A 18 7.088 20.777 -22.110 1.00 64.42 C ATOM 310 CG2 VAL A 18 5.641 19.887 -20.269 1.00 63.33 C ATOM 0 H VAL A 18 4.545 17.716 -21.456 1.00 50.31 H new ATOM 0 HA VAL A 18 4.534 20.257 -22.825 1.00 55.35 H new ATOM 0 HB VAL A 18 6.855 18.728 -21.582 1.00 34.21 H new ATOM 0 HG11 VAL A 18 7.877 20.956 -21.380 1.00 64.42 H new ATOM 0 HG12 VAL A 18 7.534 20.538 -23.075 1.00 64.42 H new ATOM 0 HG13 VAL A 18 6.473 21.672 -22.206 1.00 64.42 H new ATOM 0 HG21 VAL A 18 6.450 20.079 -19.564 1.00 63.33 H new ATOM 0 HG22 VAL A 18 4.986 20.757 -20.317 1.00 63.33 H new ATOM 0 HG23 VAL A 18 5.069 19.020 -19.938 1.00 63.33 H new ATOM 320 N GLN A 19 6.156 17.634 -24.024 1.00 43.01 N ATOM 321 CA GLN A 19 6.769 17.080 -25.226 1.00 0.13 C ATOM 322 C GLN A 19 5.713 16.484 -26.150 1.00 74.30 C ATOM 323 O GLN A 19 5.805 15.321 -26.548 1.00 1.55 O ATOM 324 CB GLN A 19 7.799 16.012 -24.853 1.00 11.32 C ATOM 325 CG GLN A 19 8.829 16.488 -23.841 1.00 63.23 C ATOM 326 CD GLN A 19 10.243 16.094 -24.219 1.00 64.53 C ATOM 327 OE1 GLN A 19 10.476 15.007 -24.750 1.00 4.00 O ATOM 328 NE2 GLN A 19 11.197 16.977 -23.948 1.00 22.43 N ATOM 0 H GLN A 19 6.098 16.983 -23.241 1.00 43.01 H new ATOM 0 HA GLN A 19 7.272 17.891 -25.754 1.00 0.13 H new ATOM 0 HB2 GLN A 19 7.279 15.143 -24.449 1.00 11.32 H new ATOM 0 HB3 GLN A 19 8.314 15.684 -25.756 1.00 11.32 H new ATOM 0 HG2 GLN A 19 8.770 17.573 -23.751 1.00 63.23 H new ATOM 0 HG3 GLN A 19 8.590 16.073 -22.862 1.00 63.23 H new ATOM 0 HE21 GLN A 19 10.959 17.866 -23.507 1.00 22.43 H new ATOM 0 HE22 GLN A 19 12.168 16.767 -24.181 1.00 22.43 H new ATOM 337 N LEU A 20 4.709 17.286 -26.488 1.00 62.44 N ATOM 338 CA LEU A 20 3.634 16.837 -27.366 1.00 51.14 C ATOM 339 C LEU A 20 2.677 17.982 -27.684 1.00 33.55 C ATOM 340 O LEU A 20 2.160 18.084 -28.797 1.00 22.41 O ATOM 341 CB LEU A 20 2.869 15.682 -26.719 1.00 33.41 C ATOM 342 CG LEU A 20 1.648 15.171 -27.486 1.00 3.40 C ATOM 343 CD1 LEU A 20 2.019 13.969 -28.340 1.00 42.24 C ATOM 344 CD2 LEU A 20 0.523 14.818 -26.524 1.00 64.31 C ATOM 0 H LEU A 20 4.617 18.250 -26.168 1.00 62.44 H new ATOM 0 HA LEU A 20 4.080 16.491 -28.298 1.00 51.14 H new ATOM 0 HB2 LEU A 20 3.559 14.850 -26.578 1.00 33.41 H new ATOM 0 HB3 LEU A 20 2.544 15.998 -25.728 1.00 33.41 H new ATOM 0 HG LEU A 20 1.299 15.965 -28.146 1.00 3.40 H new ATOM 0 HD11 LEU A 20 1.138 13.619 -28.878 1.00 42.24 H new ATOM 0 HD12 LEU A 20 2.791 14.255 -29.054 1.00 42.24 H new ATOM 0 HD13 LEU A 20 2.394 13.170 -27.700 1.00 42.24 H new ATOM 0 HD21 LEU A 20 -0.337 14.456 -27.087 1.00 64.31 H new ATOM 0 HD22 LEU A 20 0.861 14.041 -25.839 1.00 64.31 H new ATOM 0 HD23 LEU A 20 0.239 15.704 -25.956 1.00 64.31 H new ATOM 356 N THR A 21 2.445 18.843 -26.698 1.00 2.22 N ATOM 357 CA THR A 21 1.551 19.981 -26.872 1.00 4.14 C ATOM 358 C THR A 21 2.316 21.214 -27.340 1.00 75.14 C ATOM 359 O THR A 21 1.739 22.124 -27.936 1.00 40.31 O ATOM 360 CB THR A 21 0.809 20.317 -25.564 1.00 44.43 C ATOM 361 OG1 THR A 21 0.240 19.129 -25.004 1.00 62.23 O ATOM 362 CG2 THR A 21 -0.287 21.342 -25.813 1.00 2.55 C ATOM 0 H THR A 21 2.864 18.774 -25.771 1.00 2.22 H new ATOM 0 HA THR A 21 0.823 19.698 -27.632 1.00 4.14 H new ATOM 0 HB THR A 21 1.528 20.740 -24.862 1.00 44.43 H new ATOM 0 HG1 THR A 21 0.853 18.756 -24.337 1.00 62.23 H new ATOM 0 HG21 THR A 21 -0.797 21.564 -24.876 1.00 2.55 H new ATOM 0 HG22 THR A 21 0.153 22.256 -26.212 1.00 2.55 H new ATOM 0 HG23 THR A 21 -1.003 20.942 -26.530 1.00 2.55 H new ATOM 370 N TYR A 22 3.616 21.237 -27.069 1.00 34.02 N ATOM 371 CA TYR A 22 4.459 22.360 -27.462 1.00 33.23 C ATOM 372 C TYR A 22 5.618 21.891 -28.336 1.00 73.11 C ATOM 373 O TYR A 22 6.565 22.637 -28.581 1.00 61.12 O ATOM 374 CB TYR A 22 4.998 23.078 -26.223 1.00 75.04 C ATOM 375 CG TYR A 22 4.926 24.585 -26.318 1.00 40.35 C ATOM 376 CD1 TYR A 22 3.704 25.245 -26.297 1.00 13.42 C ATOM 377 CD2 TYR A 22 6.081 25.349 -26.429 1.00 43.40 C ATOM 378 CE1 TYR A 22 3.634 26.622 -26.384 1.00 51.23 C ATOM 379 CE2 TYR A 22 6.021 26.727 -26.516 1.00 21.15 C ATOM 380 CZ TYR A 22 4.795 27.359 -26.493 1.00 61.42 C ATOM 381 OH TYR A 22 4.730 28.730 -26.579 1.00 52.41 O ATOM 0 H TYR A 22 4.109 20.491 -26.579 1.00 34.02 H new ATOM 0 HA TYR A 22 3.849 23.055 -28.040 1.00 33.23 H new ATOM 0 HB2 TYR A 22 4.435 22.750 -25.349 1.00 75.04 H new ATOM 0 HB3 TYR A 22 6.035 22.781 -26.064 1.00 75.04 H new ATOM 0 HD1 TYR A 22 2.793 24.672 -26.211 1.00 13.42 H new ATOM 0 HD2 TYR A 22 7.043 24.858 -26.448 1.00 43.40 H new ATOM 0 HE1 TYR A 22 2.675 27.119 -26.367 1.00 51.23 H new ATOM 0 HE2 TYR A 22 6.929 27.306 -26.602 1.00 21.15 H new ATOM 0 HH TYR A 22 5.636 29.097 -26.649 1.00 52.41 H new ATOM 391 N GLU A 23 5.533 20.649 -28.804 1.00 2.34 N ATOM 392 CA GLU A 23 6.575 20.080 -29.651 1.00 12.23 C ATOM 393 C GLU A 23 6.033 19.764 -31.042 1.00 14.33 C ATOM 394 O GLU A 23 6.778 19.745 -32.021 1.00 65.24 O ATOM 395 CB GLU A 23 7.145 18.811 -29.013 1.00 51.42 C ATOM 396 CG GLU A 23 8.212 19.083 -27.966 1.00 34.12 C ATOM 397 CD GLU A 23 9.053 17.859 -27.660 1.00 3.44 C ATOM 398 OE1 GLU A 23 8.656 16.749 -28.070 1.00 60.23 O ATOM 399 OE2 GLU A 23 10.108 18.012 -27.010 1.00 25.04 O ATOM 0 H GLU A 23 4.755 20.019 -28.611 1.00 2.34 H new ATOM 0 HA GLU A 23 7.371 20.818 -29.749 1.00 12.23 H new ATOM 0 HB2 GLU A 23 6.332 18.249 -28.554 1.00 51.42 H new ATOM 0 HB3 GLU A 23 7.567 18.180 -29.795 1.00 51.42 H new ATOM 0 HG2 GLU A 23 8.860 19.887 -28.314 1.00 34.12 H new ATOM 0 HG3 GLU A 23 7.736 19.431 -27.049 1.00 34.12 H new ATOM 406 N HIS A 24 4.729 19.517 -31.120 1.00 71.31 N ATOM 407 CA HIS A 24 4.086 19.201 -32.391 1.00 13.43 C ATOM 408 C HIS A 24 4.425 20.249 -33.446 1.00 41.42 C ATOM 409 O HIS A 24 4.631 19.924 -34.616 1.00 45.30 O ATOM 410 CB HIS A 24 2.570 19.114 -32.211 1.00 72.22 C ATOM 411 CG HIS A 24 1.946 20.395 -31.750 1.00 3.12 C ATOM 412 ND1 HIS A 24 0.959 21.049 -32.457 1.00 21.15 N ATOM 413 CD2 HIS A 24 2.174 21.143 -30.645 1.00 34.44 C ATOM 414 CE1 HIS A 24 0.607 22.144 -31.807 1.00 5.11 C ATOM 415 NE2 HIS A 24 1.329 22.224 -30.704 1.00 23.04 N ATOM 0 H HIS A 24 4.097 19.530 -30.319 1.00 71.31 H new ATOM 0 HA HIS A 24 4.461 18.235 -32.730 1.00 13.43 H new ATOM 0 HB2 HIS A 24 2.117 18.819 -33.157 1.00 72.22 H new ATOM 0 HB3 HIS A 24 2.343 18.329 -31.490 1.00 72.22 H new ATOM 0 HD2 HIS A 24 2.887 20.929 -29.863 1.00 34.44 H new ATOM 0 HE1 HIS A 24 -0.144 22.853 -32.124 1.00 5.11 H new ATOM 0 HE2 HIS A 24 1.269 22.968 -30.009 1.00 23.04 H new ATOM 423 N THR A 25 4.481 21.510 -33.026 1.00 33.51 N ATOM 424 CA THR A 25 4.793 22.605 -33.935 1.00 11.33 C ATOM 425 C THR A 25 5.487 23.747 -33.201 1.00 52.22 C ATOM 426 O THR A 25 4.835 24.667 -32.707 1.00 30.42 O ATOM 427 CB THR A 25 3.524 23.146 -34.619 1.00 54.24 C ATOM 428 OG1 THR A 25 2.632 23.689 -33.639 1.00 51.34 O ATOM 429 CG2 THR A 25 2.819 22.047 -35.399 1.00 70.54 C ATOM 0 H THR A 25 4.314 21.797 -32.062 1.00 33.51 H new ATOM 0 HA THR A 25 5.463 22.204 -34.695 1.00 11.33 H new ATOM 0 HB THR A 25 3.820 23.931 -35.315 1.00 54.24 H new ATOM 0 HG1 THR A 25 3.126 24.292 -33.045 1.00 51.34 H new ATOM 0 HG21 THR A 25 1.926 22.453 -35.873 1.00 70.54 H new ATOM 0 HG22 THR A 25 3.490 21.656 -36.164 1.00 70.54 H new ATOM 0 HG23 THR A 25 2.535 21.243 -34.720 1.00 70.54 H new ATOM 437 N MET A 26 6.813 23.683 -33.135 1.00 34.22 N ATOM 438 CA MET A 26 7.595 24.714 -32.463 1.00 32.24 C ATOM 439 C MET A 26 8.936 24.919 -33.159 1.00 42.32 C ATOM 440 O MET A 26 9.137 25.911 -33.862 1.00 74.44 O ATOM 441 CB MET A 26 7.820 24.338 -30.997 1.00 3.43 C ATOM 442 CG MET A 26 7.019 25.186 -30.022 1.00 44.51 C ATOM 443 SD MET A 26 7.492 26.926 -30.065 1.00 15.23 S ATOM 444 CE MET A 26 8.680 26.987 -28.727 1.00 5.25 C ATOM 0 H MET A 26 7.368 22.928 -33.539 1.00 34.22 H new ATOM 0 HA MET A 26 7.035 25.648 -32.510 1.00 32.24 H new ATOM 0 HB2 MET A 26 7.557 23.290 -30.855 1.00 3.43 H new ATOM 0 HB3 MET A 26 8.880 24.435 -30.764 1.00 3.43 H new ATOM 0 HG2 MET A 26 5.958 25.096 -30.255 1.00 44.51 H new ATOM 0 HG3 MET A 26 7.158 24.800 -29.012 1.00 44.51 H new ATOM 0 HE1 MET A 26 8.605 27.948 -28.218 1.00 5.25 H new ATOM 0 HE2 MET A 26 8.473 26.184 -28.019 1.00 5.25 H new ATOM 0 HE3 MET A 26 9.686 26.866 -29.128 1.00 5.25 H new ATOM 454 N LEU A 27 9.852 23.978 -32.959 1.00 73.35 N ATOM 455 CA LEU A 27 11.175 24.056 -33.569 1.00 30.34 C ATOM 456 C LEU A 27 11.300 23.072 -34.727 1.00 61.52 C ATOM 457 O LEU A 27 12.401 22.648 -35.077 1.00 42.03 O ATOM 458 CB LEU A 27 12.256 23.772 -32.524 1.00 62.04 C ATOM 459 CG LEU A 27 13.320 24.856 -32.349 1.00 24.24 C ATOM 460 CD1 LEU A 27 12.913 25.832 -31.256 1.00 54.12 C ATOM 461 CD2 LEU A 27 14.671 24.231 -32.031 1.00 31.43 C ATOM 0 H LEU A 27 9.703 23.152 -32.379 1.00 73.35 H new ATOM 0 HA LEU A 27 11.310 25.065 -33.959 1.00 30.34 H new ATOM 0 HB2 LEU A 27 11.770 23.609 -31.562 1.00 62.04 H new ATOM 0 HB3 LEU A 27 12.755 22.840 -32.790 1.00 62.04 H new ATOM 0 HG LEU A 27 13.407 25.406 -33.286 1.00 24.24 H new ATOM 0 HD11 LEU A 27 13.682 26.596 -31.146 1.00 54.12 H new ATOM 0 HD12 LEU A 27 11.968 26.304 -31.524 1.00 54.12 H new ATOM 0 HD13 LEU A 27 12.797 25.296 -30.314 1.00 54.12 H new ATOM 0 HD21 LEU A 27 15.416 25.017 -31.910 1.00 31.43 H new ATOM 0 HD22 LEU A 27 14.597 23.655 -31.108 1.00 31.43 H new ATOM 0 HD23 LEU A 27 14.968 23.572 -32.847 1.00 31.43 H new ATOM 473 N GLN A 28 10.165 22.714 -35.318 1.00 54.15 N ATOM 474 CA GLN A 28 10.148 21.781 -36.439 1.00 2.02 C ATOM 475 C GLN A 28 9.683 22.472 -37.716 1.00 45.43 C ATOM 476 O GLN A 28 9.262 21.819 -38.671 1.00 34.14 O ATOM 477 CB GLN A 28 9.236 20.593 -36.127 1.00 43.11 C ATOM 478 CG GLN A 28 9.945 19.452 -35.415 1.00 1.41 C ATOM 479 CD GLN A 28 9.065 18.229 -35.252 1.00 14.21 C ATOM 480 OE1 GLN A 28 8.014 18.118 -35.885 1.00 21.55 O ATOM 481 NE2 GLN A 28 9.489 17.303 -34.400 1.00 62.04 N ATOM 0 H GLN A 28 9.245 23.056 -35.040 1.00 54.15 H new ATOM 0 HA GLN A 28 11.165 21.419 -36.593 1.00 2.02 H new ATOM 0 HB2 GLN A 28 8.406 20.935 -35.509 1.00 43.11 H new ATOM 0 HB3 GLN A 28 8.808 20.220 -37.058 1.00 43.11 H new ATOM 0 HG2 GLN A 28 10.839 19.179 -35.975 1.00 1.41 H new ATOM 0 HG3 GLN A 28 10.275 19.791 -34.433 1.00 1.41 H new ATOM 0 HE21 GLN A 28 10.366 17.436 -33.897 1.00 62.04 H new ATOM 0 HE22 GLN A 28 8.938 16.458 -34.249 1.00 62.04 H new ATOM 490 N LYS A 29 9.763 23.799 -37.728 1.00 23.31 N ATOM 491 CA LYS A 29 9.352 24.580 -38.888 1.00 41.31 C ATOM 492 C LYS A 29 7.904 24.278 -39.262 1.00 45.42 C ATOM 493 O LYS A 29 7.497 24.463 -40.409 1.00 63.24 O ATOM 494 CB LYS A 29 10.269 24.287 -40.078 1.00 22.15 C ATOM 495 CG LYS A 29 11.679 24.824 -39.905 1.00 43.53 C ATOM 496 CD LYS A 29 12.684 24.027 -40.720 1.00 75.31 C ATOM 497 CE LYS A 29 13.804 23.484 -39.847 1.00 5.12 C ATOM 498 NZ LYS A 29 14.812 22.731 -40.643 1.00 25.52 N ATOM 0 H LYS A 29 10.109 24.356 -36.946 1.00 23.31 H new ATOM 0 HA LYS A 29 9.430 25.636 -38.629 1.00 41.31 H new ATOM 0 HB2 LYS A 29 10.316 23.209 -40.233 1.00 22.15 H new ATOM 0 HB3 LYS A 29 9.832 24.720 -40.978 1.00 22.15 H new ATOM 0 HG2 LYS A 29 11.711 25.870 -40.209 1.00 43.53 H new ATOM 0 HG3 LYS A 29 11.955 24.790 -38.851 1.00 43.53 H new ATOM 0 HD2 LYS A 29 12.177 23.201 -41.218 1.00 75.31 H new ATOM 0 HD3 LYS A 29 13.105 24.660 -41.501 1.00 75.31 H new ATOM 0 HE2 LYS A 29 14.293 24.309 -39.329 1.00 5.12 H new ATOM 0 HE3 LYS A 29 13.384 22.831 -39.082 1.00 5.12 H new ATOM 0 HZ1 LYS A 29 15.559 22.377 -40.012 1.00 25.52 H new ATOM 0 HZ2 LYS A 29 14.351 21.929 -41.117 1.00 25.52 H new ATOM 0 HZ3 LYS A 29 15.231 23.361 -41.357 1.00 25.52 H new ATOM 512 N LYS A 30 7.130 23.815 -38.287 1.00 25.42 N ATOM 513 CA LYS A 30 5.727 23.490 -38.512 1.00 61.41 C ATOM 514 C LYS A 30 5.569 22.561 -39.712 1.00 24.34 C ATOM 515 O LYS A 30 4.519 22.532 -40.353 1.00 33.32 O ATOM 516 CB LYS A 30 4.915 24.768 -38.733 1.00 64.14 C ATOM 517 CG LYS A 30 3.691 24.873 -37.841 1.00 0.23 C ATOM 518 CD LYS A 30 3.819 26.019 -36.851 1.00 41.44 C ATOM 519 CE LYS A 30 3.584 27.364 -37.523 1.00 22.14 C ATOM 520 NZ LYS A 30 4.149 28.488 -36.726 1.00 25.21 N ATOM 0 H LYS A 30 7.451 23.656 -37.332 1.00 25.42 H new ATOM 0 HA LYS A 30 5.352 22.977 -37.626 1.00 61.41 H new ATOM 0 HB2 LYS A 30 5.557 25.631 -38.558 1.00 64.14 H new ATOM 0 HB3 LYS A 30 4.599 24.812 -39.775 1.00 64.14 H new ATOM 0 HG2 LYS A 30 2.803 25.020 -38.456 1.00 0.23 H new ATOM 0 HG3 LYS A 30 3.553 23.937 -37.300 1.00 0.23 H new ATOM 0 HD2 LYS A 30 3.101 25.885 -36.042 1.00 41.44 H new ATOM 0 HD3 LYS A 30 4.812 26.004 -36.402 1.00 41.44 H new ATOM 0 HE2 LYS A 30 4.036 27.359 -38.515 1.00 22.14 H new ATOM 0 HE3 LYS A 30 2.514 27.519 -37.662 1.00 22.14 H new ATOM 0 HZ1 LYS A 30 3.968 29.387 -37.217 1.00 25.21 H new ATOM 0 HZ2 LYS A 30 3.699 28.509 -35.788 1.00 25.21 H new ATOM 0 HZ3 LYS A 30 5.174 28.354 -36.615 1.00 25.21 H new TER 534 LYS A 30