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 Single : A 1 LYS N :NH3+ 171:sc= -1.55 (180deg=-1.64) 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= -0.0249 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) USER MOD Single : A 21 THR OG1 : rot 104:sc= 1.26 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) USER MOD Single : A 25 THR OG1 : rot -44:sc= 1.05 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.19) 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 3.656 -2.119 -3.006 1.00 12.04 N ATOM 2 CA LYS A 1 2.237 -2.314 -3.281 1.00 44.22 C ATOM 3 C LYS A 1 1.623 -1.056 -3.886 1.00 12.40 C ATOM 4 O LYS A 1 0.436 -0.783 -3.706 1.00 34.44 O ATOM 5 CB LYS A 1 1.494 -2.691 -1.997 1.00 44.34 C ATOM 6 CG LYS A 1 1.701 -1.703 -0.862 1.00 45.35 C ATOM 7 CD LYS A 1 1.363 -2.321 0.484 1.00 42.03 C ATOM 8 CE LYS A 1 2.565 -3.028 1.090 1.00 25.22 C ATOM 9 NZ LYS A 1 2.292 -3.497 2.477 1.00 72.32 N ATOM 0 H1 LYS A 1 4.018 -2.926 -2.458 1.00 12.04 H new ATOM 0 H2 LYS A 1 4.177 -2.048 -3.903 1.00 12.04 H new ATOM 0 H3 LYS A 1 3.787 -1.244 -2.460 1.00 12.04 H new ATOM 0 HA LYS A 1 2.140 -3.127 -4.001 1.00 44.22 H new ATOM 0 HB2 LYS A 1 0.428 -2.766 -2.213 1.00 44.34 H new ATOM 0 HB3 LYS A 1 1.824 -3.678 -1.673 1.00 44.34 H new ATOM 0 HG2 LYS A 1 2.737 -1.364 -0.858 1.00 45.35 H new ATOM 0 HG3 LYS A 1 1.079 -0.823 -1.026 1.00 45.35 H new ATOM 0 HD2 LYS A 1 1.015 -1.544 1.165 1.00 42.03 H new ATOM 0 HD3 LYS A 1 0.544 -3.031 0.364 1.00 42.03 H new ATOM 0 HE2 LYS A 1 2.838 -3.879 0.466 1.00 25.22 H new ATOM 0 HE3 LYS A 1 3.419 -2.351 1.097 1.00 25.22 H new ATOM 0 HZ1 LYS A 1 3.136 -3.974 2.855 1.00 72.32 H new ATOM 0 HZ2 LYS A 1 2.056 -2.682 3.079 1.00 72.32 H new ATOM 0 HZ3 LYS A 1 1.493 -4.163 2.467 1.00 72.32 H new ATOM 23 N LYS A 2 2.438 -0.292 -4.606 1.00 13.34 N ATOM 24 CA LYS A 2 1.974 0.937 -5.240 1.00 64.40 C ATOM 25 C LYS A 2 1.549 0.677 -6.682 1.00 13.34 C ATOM 26 O LYS A 2 1.913 -0.339 -7.273 1.00 32.32 O ATOM 27 CB LYS A 2 3.075 1.999 -5.205 1.00 40.44 C ATOM 28 CG LYS A 2 3.285 2.613 -3.832 1.00 10.01 C ATOM 29 CD LYS A 2 4.723 2.458 -3.366 1.00 32.23 C ATOM 30 CE LYS A 2 5.050 1.009 -3.039 1.00 75.42 C ATOM 31 NZ LYS A 2 5.768 0.881 -1.741 1.00 35.11 N ATOM 0 H LYS A 2 3.423 -0.502 -4.765 1.00 13.34 H new ATOM 0 HA LYS A 2 1.109 1.300 -4.685 1.00 64.40 H new ATOM 0 HB2 LYS A 2 4.011 1.551 -5.540 1.00 40.44 H new ATOM 0 HB3 LYS A 2 2.828 2.790 -5.913 1.00 40.44 H new ATOM 0 HG2 LYS A 2 3.023 3.671 -3.861 1.00 10.01 H new ATOM 0 HG3 LYS A 2 2.616 2.139 -3.114 1.00 10.01 H new ATOM 0 HD2 LYS A 2 5.399 2.818 -4.142 1.00 32.23 H new ATOM 0 HD3 LYS A 2 4.890 3.078 -2.485 1.00 32.23 H new ATOM 0 HE2 LYS A 2 4.128 0.428 -3.003 1.00 75.42 H new ATOM 0 HE3 LYS A 2 5.662 0.586 -3.836 1.00 75.42 H new ATOM 0 HZ1 LYS A 2 5.973 -0.122 -1.555 1.00 35.11 H new ATOM 0 HZ2 LYS A 2 6.660 1.414 -1.784 1.00 35.11 H new ATOM 0 HZ3 LYS A 2 5.174 1.261 -0.977 1.00 35.11 H new ATOM 45 N ARG A 3 0.777 1.603 -7.242 1.00 4.33 N ATOM 46 CA ARG A 3 0.303 1.474 -8.614 1.00 51.42 C ATOM 47 C ARG A 3 0.730 2.676 -9.452 1.00 63.34 C ATOM 48 O ARG A 3 1.402 2.526 -10.474 1.00 35.33 O ATOM 49 CB ARG A 3 -1.221 1.338 -8.639 1.00 24.10 C ATOM 50 CG ARG A 3 -1.704 0.007 -9.192 1.00 0.22 C ATOM 51 CD ARG A 3 -2.016 0.101 -10.677 1.00 51.32 C ATOM 52 NE ARG A 3 -3.405 -0.244 -10.968 1.00 11.14 N ATOM 53 CZ ARG A 3 -3.974 -0.065 -12.154 1.00 51.25 C ATOM 54 NH1 ARG A 3 -3.277 0.453 -13.156 1.00 63.54 N ATOM 55 NH2 ARG A 3 -5.243 -0.404 -12.341 1.00 53.10 N ATOM 0 H ARG A 3 0.467 2.450 -6.766 1.00 4.33 H new ATOM 0 HA ARG A 3 0.749 0.576 -9.043 1.00 51.42 H new ATOM 0 HB2 ARG A 3 -1.605 1.462 -7.627 1.00 24.10 H new ATOM 0 HB3 ARG A 3 -1.640 2.145 -9.240 1.00 24.10 H new ATOM 0 HG2 ARG A 3 -0.942 -0.755 -9.027 1.00 0.22 H new ATOM 0 HG3 ARG A 3 -2.595 -0.311 -8.651 1.00 0.22 H new ATOM 0 HD2 ARG A 3 -1.813 1.113 -11.027 1.00 51.32 H new ATOM 0 HD3 ARG A 3 -1.354 -0.566 -11.229 1.00 51.32 H new ATOM 0 HE ARG A 3 -3.969 -0.645 -10.219 1.00 11.14 H new ATOM 0 HH11 ARG A 3 -2.301 0.715 -13.017 1.00 63.54 H new ATOM 0 HH12 ARG A 3 -3.717 0.589 -14.066 1.00 63.54 H new ATOM 0 HH21 ARG A 3 -5.783 -0.803 -11.573 1.00 53.10 H new ATOM 0 HH22 ARG A 3 -5.679 -0.266 -13.253 1.00 53.10 H new ATOM 69 N TYR A 4 0.337 3.866 -9.014 1.00 53.21 N ATOM 70 CA TYR A 4 0.676 5.093 -9.725 1.00 63.02 C ATOM 71 C TYR A 4 2.173 5.377 -9.638 1.00 72.20 C ATOM 72 O TYR A 4 2.804 5.755 -10.625 1.00 55.32 O ATOM 73 CB TYR A 4 -0.112 6.273 -9.154 1.00 40.04 C ATOM 74 CG TYR A 4 -1.522 6.375 -9.690 1.00 33.31 C ATOM 75 CD1 TYR A 4 -2.401 5.303 -9.594 1.00 74.25 C ATOM 76 CD2 TYR A 4 -1.976 7.542 -10.292 1.00 24.10 C ATOM 77 CE1 TYR A 4 -3.691 5.391 -10.083 1.00 23.32 C ATOM 78 CE2 TYR A 4 -3.264 7.639 -10.782 1.00 4.33 C ATOM 79 CZ TYR A 4 -4.117 6.561 -10.675 1.00 52.11 C ATOM 80 OH TYR A 4 -5.401 6.654 -11.163 1.00 65.30 O ATOM 0 H TYR A 4 -0.217 4.008 -8.169 1.00 53.21 H new ATOM 0 HA TYR A 4 0.410 4.960 -10.774 1.00 63.02 H new ATOM 0 HB2 TYR A 4 -0.151 6.182 -8.068 1.00 40.04 H new ATOM 0 HB3 TYR A 4 0.421 7.197 -9.378 1.00 40.04 H new ATOM 0 HD1 TYR A 4 -2.071 4.386 -9.130 1.00 74.25 H new ATOM 0 HD2 TYR A 4 -1.310 8.388 -10.378 1.00 24.10 H new ATOM 0 HE1 TYR A 4 -4.361 4.548 -10.002 1.00 23.32 H new ATOM 0 HE2 TYR A 4 -3.601 8.554 -11.246 1.00 4.33 H new ATOM 0 HH TYR A 4 -5.541 7.544 -11.547 1.00 65.30 H new ATOM 90 N VAL A 5 2.735 5.190 -8.448 1.00 45.42 N ATOM 91 CA VAL A 5 4.158 5.424 -8.230 1.00 40.02 C ATOM 92 C VAL A 5 4.953 4.129 -8.356 1.00 42.44 C ATOM 93 O VAL A 5 6.015 3.980 -7.752 1.00 71.24 O ATOM 94 CB VAL A 5 4.419 6.041 -6.843 1.00 44.03 C ATOM 95 CG1 VAL A 5 5.803 6.671 -6.791 1.00 60.30 C ATOM 96 CG2 VAL A 5 3.346 7.064 -6.505 1.00 12.30 C ATOM 0 H VAL A 5 2.227 4.877 -7.621 1.00 45.42 H new ATOM 0 HA VAL A 5 4.485 6.124 -8.998 1.00 40.02 H new ATOM 0 HB VAL A 5 4.379 5.247 -6.098 1.00 44.03 H new ATOM 0 HG11 VAL A 5 5.970 7.102 -5.804 1.00 60.30 H new ATOM 0 HG12 VAL A 5 6.557 5.909 -6.986 1.00 60.30 H new ATOM 0 HG13 VAL A 5 5.875 7.454 -7.546 1.00 60.30 H new ATOM 0 HG21 VAL A 5 3.546 7.490 -5.522 1.00 12.30 H new ATOM 0 HG22 VAL A 5 3.352 7.858 -7.252 1.00 12.30 H new ATOM 0 HG23 VAL A 5 2.370 6.579 -6.498 1.00 12.30 H new ATOM 106 N ALA A 6 4.432 3.196 -9.146 1.00 42.11 N ATOM 107 CA ALA A 6 5.095 1.914 -9.354 1.00 52.51 C ATOM 108 C ALA A 6 5.497 1.735 -10.814 1.00 20.10 C ATOM 109 O ALA A 6 6.420 0.982 -11.125 1.00 54.21 O ATOM 110 CB ALA A 6 4.190 0.775 -8.910 1.00 23.52 C ATOM 0 H ALA A 6 3.553 3.304 -9.652 1.00 42.11 H new ATOM 0 HA ALA A 6 6.002 1.899 -8.750 1.00 52.51 H new ATOM 0 HB1 ALA A 6 4.697 -0.176 -9.071 1.00 23.52 H new ATOM 0 HB2 ALA A 6 3.956 0.887 -7.851 1.00 23.52 H new ATOM 0 HB3 ALA A 6 3.267 0.797 -9.489 1.00 23.52 H new ATOM 116 N MET A 7 4.798 2.430 -11.705 1.00 44.52 N ATOM 117 CA MET A 7 5.084 2.347 -13.133 1.00 1.41 C ATOM 118 C MET A 7 6.131 3.380 -13.539 1.00 22.32 C ATOM 119 O MET A 7 6.816 3.220 -14.549 1.00 71.23 O ATOM 120 CB MET A 7 3.804 2.556 -13.944 1.00 12.41 C ATOM 121 CG MET A 7 3.221 1.268 -14.501 1.00 55.15 C ATOM 122 SD MET A 7 3.936 0.813 -16.093 1.00 2.23 S ATOM 123 CE MET A 7 3.729 -0.966 -16.061 1.00 50.40 C ATOM 0 H MET A 7 4.030 3.057 -11.464 1.00 44.52 H new ATOM 0 HA MET A 7 5.480 1.353 -13.342 1.00 1.41 H new ATOM 0 HB2 MET A 7 3.058 3.040 -13.313 1.00 12.41 H new ATOM 0 HB3 MET A 7 4.013 3.237 -14.769 1.00 12.41 H new ATOM 0 HG2 MET A 7 3.388 0.460 -13.788 1.00 55.15 H new ATOM 0 HG3 MET A 7 2.142 1.379 -14.610 1.00 55.15 H new ATOM 0 HE1 MET A 7 4.125 -1.395 -16.982 1.00 50.40 H new ATOM 0 HE2 MET A 7 4.267 -1.380 -15.208 1.00 50.40 H new ATOM 0 HE3 MET A 7 2.670 -1.208 -15.974 1.00 50.40 H new ATOM 133 N VAL A 8 6.250 4.439 -12.745 1.00 3.12 N ATOM 134 CA VAL A 8 7.215 5.497 -13.021 1.00 55.23 C ATOM 135 C VAL A 8 8.381 5.448 -12.041 1.00 31.32 C ATOM 136 O VAL A 8 9.361 6.178 -12.190 1.00 22.15 O ATOM 137 CB VAL A 8 6.557 6.888 -12.950 1.00 41.34 C ATOM 138 CG1 VAL A 8 7.494 7.951 -13.506 1.00 34.53 C ATOM 139 CG2 VAL A 8 5.232 6.890 -13.698 1.00 65.23 C ATOM 0 H VAL A 8 5.690 4.587 -11.905 1.00 3.12 H new ATOM 0 HA VAL A 8 7.587 5.330 -14.032 1.00 55.23 H new ATOM 0 HB VAL A 8 6.358 7.123 -11.905 1.00 41.34 H new ATOM 0 HG11 VAL A 8 7.012 8.927 -13.448 1.00 34.53 H new ATOM 0 HG12 VAL A 8 8.415 7.965 -12.923 1.00 34.53 H new ATOM 0 HG13 VAL A 8 7.727 7.723 -14.546 1.00 34.53 H new ATOM 0 HG21 VAL A 8 4.781 7.881 -13.637 1.00 65.23 H new ATOM 0 HG22 VAL A 8 5.404 6.633 -14.743 1.00 65.23 H new ATOM 0 HG23 VAL A 8 4.560 6.158 -13.250 1.00 65.23 H new ATOM 149 N ILE A 9 8.268 4.582 -11.039 1.00 42.11 N ATOM 150 CA ILE A 9 9.314 4.436 -10.035 1.00 4.32 C ATOM 151 C ILE A 9 10.676 4.224 -10.687 1.00 25.03 C ATOM 152 O ILE A 9 11.707 4.610 -10.135 1.00 12.50 O ATOM 153 CB ILE A 9 9.023 3.259 -9.085 1.00 42.22 C ATOM 154 CG1 ILE A 9 10.018 3.256 -7.922 1.00 74.54 C ATOM 155 CG2 ILE A 9 9.081 1.941 -9.843 1.00 13.03 C ATOM 156 CD1 ILE A 9 9.408 2.824 -6.607 1.00 73.32 C ATOM 0 H ILE A 9 7.463 3.971 -10.901 1.00 42.11 H new ATOM 0 HA ILE A 9 9.330 5.361 -9.459 1.00 4.32 H new ATOM 0 HB ILE A 9 8.019 3.378 -8.678 1.00 42.22 H new ATOM 0 HG12 ILE A 9 10.847 2.591 -8.165 1.00 74.54 H new ATOM 0 HG13 ILE A 9 10.435 4.257 -7.809 1.00 74.54 H new ATOM 0 HG21 ILE A 9 8.873 1.118 -9.159 1.00 13.03 H new ATOM 0 HG22 ILE A 9 8.337 1.947 -10.640 1.00 13.03 H new ATOM 0 HG23 ILE A 9 10.074 1.813 -10.274 1.00 13.03 H new ATOM 0 HD11 ILE A 9 10.170 2.846 -5.828 1.00 73.32 H new ATOM 0 HD12 ILE A 9 8.598 3.503 -6.341 1.00 73.32 H new ATOM 0 HD13 ILE A 9 9.016 1.812 -6.703 1.00 73.32 H new ATOM 168 N TRP A 10 10.673 3.609 -11.864 1.00 1.22 N ATOM 169 CA TRP A 10 11.909 3.347 -12.593 1.00 1.15 C ATOM 170 C TRP A 10 12.680 4.639 -12.839 1.00 41.22 C ATOM 171 O TRP A 10 13.885 4.711 -12.596 1.00 65.41 O ATOM 172 CB TRP A 10 11.604 2.659 -13.924 1.00 21.41 C ATOM 173 CG TRP A 10 11.723 1.166 -13.862 1.00 21.25 C ATOM 174 CD1 TRP A 10 10.712 0.257 -13.992 1.00 21.10 C ATOM 175 CD2 TRP A 10 12.920 0.410 -13.651 1.00 65.42 C ATOM 176 NE1 TRP A 10 11.209 -1.019 -13.875 1.00 40.23 N ATOM 177 CE2 TRP A 10 12.561 -0.952 -13.667 1.00 22.43 C ATOM 178 CE3 TRP A 10 14.261 0.750 -13.453 1.00 42.13 C ATOM 179 CZ2 TRP A 10 13.495 -1.970 -13.491 1.00 33.24 C ATOM 180 CZ3 TRP A 10 15.186 -0.261 -13.278 1.00 65.24 C ATOM 181 CH2 TRP A 10 14.800 -1.608 -13.299 1.00 23.03 C ATOM 0 H TRP A 10 9.829 3.282 -12.334 1.00 1.22 H new ATOM 0 HA TRP A 10 12.528 2.687 -11.985 1.00 1.15 H new ATOM 0 HB2 TRP A 10 10.594 2.923 -14.238 1.00 21.41 H new ATOM 0 HB3 TRP A 10 12.285 3.039 -14.686 1.00 21.41 H new ATOM 0 HD1 TRP A 10 9.675 0.505 -14.162 1.00 21.10 H new ATOM 0 HE1 TRP A 10 10.660 -1.877 -13.934 1.00 40.23 H new ATOM 0 HE3 TRP A 10 14.569 1.785 -13.437 1.00 42.13 H new ATOM 0 HZ2 TRP A 10 13.199 -3.009 -13.506 1.00 33.24 H new ATOM 0 HZ3 TRP A 10 16.225 -0.009 -13.122 1.00 65.24 H new ATOM 0 HH2 TRP A 10 15.547 -2.375 -13.161 1.00 23.03 H new ATOM 192 N LEU A 11 11.979 5.658 -13.323 1.00 14.44 N ATOM 193 CA LEU A 11 12.598 6.949 -13.602 1.00 10.40 C ATOM 194 C LEU A 11 12.883 7.708 -12.310 1.00 34.25 C ATOM 195 O LEU A 11 13.847 8.469 -12.224 1.00 33.22 O ATOM 196 CB LEU A 11 11.693 7.786 -14.509 1.00 25.42 C ATOM 197 CG LEU A 11 11.867 7.571 -16.013 1.00 23.53 C ATOM 198 CD1 LEU A 11 13.198 8.138 -16.483 1.00 32.52 C ATOM 199 CD2 LEU A 11 11.765 6.091 -16.355 1.00 51.32 C ATOM 0 H LEU A 11 10.981 5.615 -13.531 1.00 14.44 H new ATOM 0 HA LEU A 11 13.545 6.767 -14.111 1.00 10.40 H new ATOM 0 HB2 LEU A 11 10.656 7.574 -14.249 1.00 25.42 H new ATOM 0 HB3 LEU A 11 11.867 8.840 -14.290 1.00 25.42 H new ATOM 0 HG LEU A 11 11.067 8.100 -16.531 1.00 23.53 H new ATOM 0 HD11 LEU A 11 13.304 7.976 -17.556 1.00 32.52 H new ATOM 0 HD12 LEU A 11 13.233 9.207 -16.272 1.00 32.52 H new ATOM 0 HD13 LEU A 11 14.012 7.638 -15.958 1.00 32.52 H new ATOM 0 HD21 LEU A 11 11.891 5.956 -17.429 1.00 51.32 H new ATOM 0 HD22 LEU A 11 12.544 5.541 -15.826 1.00 51.32 H new ATOM 0 HD23 LEU A 11 10.787 5.715 -16.054 1.00 51.32 H new ATOM 211 N TYR A 12 12.039 7.493 -11.306 1.00 41.41 N ATOM 212 CA TYR A 12 12.200 8.157 -10.018 1.00 34.13 C ATOM 213 C TYR A 12 13.328 7.519 -9.213 1.00 42.03 C ATOM 214 O TYR A 12 13.785 8.075 -8.215 1.00 0.04 O ATOM 215 CB TYR A 12 10.894 8.096 -9.223 1.00 22.23 C ATOM 216 CG TYR A 12 9.740 8.800 -9.900 1.00 33.55 C ATOM 217 CD1 TYR A 12 9.947 9.942 -10.663 1.00 24.34 C ATOM 218 CD2 TYR A 12 8.441 8.321 -9.776 1.00 52.24 C ATOM 219 CE1 TYR A 12 8.895 10.588 -11.282 1.00 3.11 C ATOM 220 CE2 TYR A 12 7.383 8.960 -10.393 1.00 52.35 C ATOM 221 CZ TYR A 12 7.615 10.094 -11.145 1.00 21.44 C ATOM 222 OH TYR A 12 6.565 10.734 -11.761 1.00 74.22 O ATOM 0 H TYR A 12 11.237 6.865 -11.360 1.00 41.41 H new ATOM 0 HA TYR A 12 12.456 9.200 -10.205 1.00 34.13 H new ATOM 0 HB2 TYR A 12 10.626 7.052 -9.060 1.00 22.23 H new ATOM 0 HB3 TYR A 12 11.055 8.541 -8.241 1.00 22.23 H new ATOM 0 HD1 TYR A 12 10.948 10.332 -10.774 1.00 24.34 H new ATOM 0 HD2 TYR A 12 8.256 7.435 -9.188 1.00 52.24 H new ATOM 0 HE1 TYR A 12 9.074 11.476 -11.870 1.00 3.11 H new ATOM 0 HE2 TYR A 12 6.380 8.574 -10.288 1.00 52.35 H new ATOM 0 HH TYR A 12 5.731 10.257 -11.565 1.00 74.22 H new ATOM 232 N SER A 13 13.774 6.348 -9.657 1.00 73.01 N ATOM 233 CA SER A 13 14.847 5.631 -8.978 1.00 52.21 C ATOM 234 C SER A 13 15.989 5.324 -9.941 1.00 61.45 C ATOM 235 O SER A 13 16.755 4.383 -9.733 1.00 3.51 O ATOM 236 CB SER A 13 14.315 4.333 -8.368 1.00 63.21 C ATOM 237 OG SER A 13 14.760 4.177 -7.032 1.00 4.43 O ATOM 0 H SER A 13 13.409 5.876 -10.484 1.00 73.01 H new ATOM 0 HA SER A 13 15.229 6.268 -8.181 1.00 52.21 H new ATOM 0 HB2 SER A 13 13.225 4.335 -8.394 1.00 63.21 H new ATOM 0 HB3 SER A 13 14.646 3.484 -8.966 1.00 63.21 H new ATOM 0 HG SER A 13 14.405 3.341 -6.665 1.00 4.43 H new ATOM 243 N ALA A 14 16.096 6.124 -10.997 1.00 70.43 N ATOM 244 CA ALA A 14 17.145 5.939 -11.992 1.00 50.24 C ATOM 245 C ALA A 14 18.057 7.160 -12.062 1.00 33.54 C ATOM 246 O ALA A 14 19.239 7.046 -12.385 1.00 23.12 O ATOM 247 CB ALA A 14 16.534 5.656 -13.357 1.00 1.21 C ATOM 0 H ALA A 14 15.469 6.906 -11.185 1.00 70.43 H new ATOM 0 HA ALA A 14 17.749 5.083 -11.692 1.00 50.24 H new ATOM 0 HB1 ALA A 14 17.329 5.520 -14.090 1.00 1.21 H new ATOM 0 HB2 ALA A 14 15.930 4.750 -13.304 1.00 1.21 H new ATOM 0 HB3 ALA A 14 15.905 6.495 -13.655 1.00 1.21 H new ATOM 253 N PHE A 15 17.499 8.327 -11.757 1.00 23.22 N ATOM 254 CA PHE A 15 18.262 9.569 -11.786 1.00 43.22 C ATOM 255 C PHE A 15 19.080 9.736 -10.509 1.00 33.25 C ATOM 256 O PHE A 15 19.798 10.722 -10.342 1.00 54.05 O ATOM 257 CB PHE A 15 17.324 10.765 -11.964 1.00 61.44 C ATOM 258 CG PHE A 15 17.037 11.092 -13.402 1.00 0.32 C ATOM 259 CD1 PHE A 15 15.967 10.506 -14.059 1.00 43.44 C ATOM 260 CD2 PHE A 15 17.836 11.987 -14.095 1.00 64.43 C ATOM 261 CE1 PHE A 15 15.702 10.806 -15.382 1.00 74.32 C ATOM 262 CE2 PHE A 15 17.575 12.290 -15.418 1.00 43.12 C ATOM 263 CZ PHE A 15 16.506 11.700 -16.062 1.00 73.51 C ATOM 0 H PHE A 15 16.522 8.438 -11.487 1.00 23.22 H new ATOM 0 HA PHE A 15 18.948 9.524 -12.632 1.00 43.22 H new ATOM 0 HB2 PHE A 15 16.384 10.559 -11.452 1.00 61.44 H new ATOM 0 HB3 PHE A 15 17.765 11.638 -11.482 1.00 61.44 H new ATOM 0 HD1 PHE A 15 15.334 9.808 -13.532 1.00 43.44 H new ATOM 0 HD2 PHE A 15 18.672 12.453 -13.596 1.00 64.43 H new ATOM 0 HE1 PHE A 15 14.866 10.341 -15.884 1.00 74.32 H new ATOM 0 HE2 PHE A 15 18.207 12.988 -15.947 1.00 43.12 H new ATOM 0 HZ PHE A 15 16.299 11.937 -17.095 1.00 73.51 H new ATOM 273 N ARG A 16 18.964 8.765 -9.609 1.00 23.34 N ATOM 274 CA ARG A 16 19.690 8.804 -8.345 1.00 24.10 C ATOM 275 C ARG A 16 20.772 7.728 -8.306 1.00 1.31 C ATOM 276 O ARG A 16 21.872 7.957 -7.804 1.00 52.34 O ATOM 277 CB ARG A 16 18.726 8.616 -7.172 1.00 64.42 C ATOM 278 CG ARG A 16 17.596 9.632 -7.144 1.00 23.34 C ATOM 279 CD ARG A 16 18.045 10.946 -6.525 1.00 12.42 C ATOM 280 NE ARG A 16 17.941 12.058 -7.466 1.00 42.03 N ATOM 281 CZ ARG A 16 18.007 13.335 -7.106 1.00 62.10 C ATOM 282 NH1 ARG A 16 18.176 13.660 -5.832 1.00 21.33 N ATOM 283 NH2 ARG A 16 17.905 14.290 -8.021 1.00 74.04 N ATOM 0 H ARG A 16 18.374 7.942 -9.732 1.00 23.34 H new ATOM 0 HA ARG A 16 20.169 9.780 -8.260 1.00 24.10 H new ATOM 0 HB2 ARG A 16 18.301 7.613 -7.219 1.00 64.42 H new ATOM 0 HB3 ARG A 16 19.285 8.681 -6.239 1.00 64.42 H new ATOM 0 HG2 ARG A 16 17.239 9.809 -8.159 1.00 23.34 H new ATOM 0 HG3 ARG A 16 16.757 9.229 -6.577 1.00 23.34 H new ATOM 0 HD2 ARG A 16 17.438 11.158 -5.645 1.00 12.42 H new ATOM 0 HD3 ARG A 16 19.077 10.853 -6.186 1.00 12.42 H new ATOM 0 HE ARG A 16 17.810 11.842 -8.454 1.00 42.03 H new ATOM 0 HH11 ARG A 16 18.256 12.929 -5.125 1.00 21.33 H new ATOM 0 HH12 ARG A 16 18.226 14.641 -5.558 1.00 21.33 H new ATOM 0 HH21 ARG A 16 17.776 14.044 -9.002 1.00 74.04 H new ATOM 0 HH22 ARG A 16 17.956 15.270 -7.743 1.00 74.04 H new ATOM 297 N GLY A 17 20.451 6.553 -8.839 1.00 14.23 N ATOM 298 CA GLY A 17 21.405 5.460 -8.854 1.00 33.31 C ATOM 299 C GLY A 17 22.115 5.329 -10.186 1.00 64.24 C ATOM 300 O GLY A 17 22.675 4.278 -10.499 1.00 61.12 O ATOM 0 H GLY A 17 19.547 6.339 -9.261 1.00 14.23 H new ATOM 0 HA2 GLY A 17 22.142 5.615 -8.066 1.00 33.31 H new ATOM 0 HA3 GLY A 17 20.888 4.527 -8.628 1.00 33.31 H new ATOM 304 N VAL A 18 22.092 6.398 -10.975 1.00 43.52 N ATOM 305 CA VAL A 18 22.739 6.399 -12.282 1.00 71.31 C ATOM 306 C VAL A 18 23.204 7.799 -12.665 1.00 2.12 C ATOM 307 O VAL A 18 23.452 8.082 -13.836 1.00 45.14 O ATOM 308 CB VAL A 18 21.794 5.867 -13.376 1.00 31.21 C ATOM 309 CG1 VAL A 18 22.581 5.476 -14.618 1.00 14.42 C ATOM 310 CG2 VAL A 18 20.986 4.688 -12.854 1.00 52.22 C ATOM 0 H VAL A 18 21.632 7.275 -10.732 1.00 43.52 H new ATOM 0 HA VAL A 18 23.604 5.740 -12.207 1.00 71.31 H new ATOM 0 HB VAL A 18 21.100 6.661 -13.650 1.00 31.21 H new ATOM 0 HG11 VAL A 18 21.897 5.103 -15.380 1.00 14.42 H new ATOM 0 HG12 VAL A 18 23.111 6.348 -15.002 1.00 14.42 H new ATOM 0 HG13 VAL A 18 23.300 4.697 -14.363 1.00 14.42 H new ATOM 0 HG21 VAL A 18 20.324 4.325 -13.640 1.00 52.22 H new ATOM 0 HG22 VAL A 18 21.663 3.889 -12.551 1.00 52.22 H new ATOM 0 HG23 VAL A 18 20.392 5.005 -11.997 1.00 52.22 H new ATOM 320 N GLN A 19 23.320 8.671 -11.668 1.00 43.04 N ATOM 321 CA GLN A 19 23.756 10.043 -11.901 1.00 70.14 C ATOM 322 C GLN A 19 24.599 10.551 -10.737 1.00 4.41 C ATOM 323 O GLN A 19 25.824 10.640 -10.836 1.00 0.32 O ATOM 324 CB GLN A 19 22.546 10.956 -12.108 1.00 5.44 C ATOM 325 CG GLN A 19 22.914 12.419 -12.298 1.00 2.14 C ATOM 326 CD GLN A 19 23.985 12.620 -13.352 1.00 22.54 C ATOM 327 OE1 GLN A 19 23.796 12.276 -14.519 1.00 14.51 O ATOM 328 NE2 GLN A 19 25.119 13.178 -12.945 1.00 23.11 N ATOM 0 H GLN A 19 23.118 8.452 -10.692 1.00 43.04 H new ATOM 0 HA GLN A 19 24.370 10.055 -12.802 1.00 70.14 H new ATOM 0 HB2 GLN A 19 21.988 10.614 -12.980 1.00 5.44 H new ATOM 0 HB3 GLN A 19 21.882 10.866 -11.249 1.00 5.44 H new ATOM 0 HG2 GLN A 19 22.023 12.980 -12.580 1.00 2.14 H new ATOM 0 HG3 GLN A 19 23.262 12.828 -11.350 1.00 2.14 H new ATOM 0 HE21 GLN A 19 25.233 13.448 -11.968 1.00 23.11 H new ATOM 0 HE22 GLN A 19 25.876 13.337 -13.609 1.00 23.11 H new ATOM 337 N LEU A 20 23.937 10.884 -9.635 1.00 3.45 N ATOM 338 CA LEU A 20 24.626 11.385 -8.450 1.00 22.21 C ATOM 339 C LEU A 20 25.286 10.244 -7.681 1.00 41.44 C ATOM 340 O LEU A 20 26.079 10.474 -6.767 1.00 72.42 O ATOM 341 CB LEU A 20 23.645 12.127 -7.541 1.00 2.12 C ATOM 342 CG LEU A 20 23.789 13.649 -7.499 1.00 72.12 C ATOM 343 CD1 LEU A 20 25.161 14.041 -6.973 1.00 52.45 C ATOM 344 CD2 LEU A 20 23.554 14.245 -8.880 1.00 21.34 C ATOM 0 H LEU A 20 22.924 10.816 -9.537 1.00 3.45 H new ATOM 0 HA LEU A 20 25.403 12.076 -8.777 1.00 22.21 H new ATOM 0 HB2 LEU A 20 22.631 11.887 -7.861 1.00 2.12 H new ATOM 0 HB3 LEU A 20 23.759 11.743 -6.527 1.00 2.12 H new ATOM 0 HG LEU A 20 23.035 14.048 -6.820 1.00 72.12 H new ATOM 0 HD11 LEU A 20 25.245 15.128 -6.950 1.00 52.45 H new ATOM 0 HD12 LEU A 20 25.291 13.646 -5.966 1.00 52.45 H new ATOM 0 HD13 LEU A 20 25.932 13.631 -7.626 1.00 52.45 H new ATOM 0 HD21 LEU A 20 23.660 15.329 -8.831 1.00 21.34 H new ATOM 0 HD22 LEU A 20 24.284 13.840 -9.580 1.00 21.34 H new ATOM 0 HD23 LEU A 20 22.549 13.994 -9.218 1.00 21.34 H new ATOM 356 N THR A 21 24.955 9.013 -8.059 1.00 45.44 N ATOM 357 CA THR A 21 25.516 7.837 -7.407 1.00 63.01 C ATOM 358 C THR A 21 26.436 7.071 -8.351 1.00 74.42 C ATOM 359 O THR A 21 27.421 6.470 -7.922 1.00 71.10 O ATOM 360 CB THR A 21 24.409 6.891 -6.907 1.00 32.43 C ATOM 361 OG1 THR A 21 23.605 7.553 -5.924 1.00 51.43 O ATOM 362 CG2 THR A 21 25.007 5.625 -6.310 1.00 51.42 C ATOM 0 H THR A 21 24.301 8.805 -8.814 1.00 45.44 H new ATOM 0 HA THR A 21 26.092 8.193 -6.553 1.00 63.01 H new ATOM 0 HB THR A 21 23.787 6.614 -7.758 1.00 32.43 H new ATOM 0 HG1 THR A 21 22.750 7.815 -6.324 1.00 51.43 H new ATOM 0 HG21 THR A 21 24.206 4.972 -5.964 1.00 51.42 H new ATOM 0 HG22 THR A 21 25.594 5.107 -7.068 1.00 51.42 H new ATOM 0 HG23 THR A 21 25.650 5.887 -5.470 1.00 51.42 H new ATOM 370 N TYR A 22 26.108 7.096 -9.638 1.00 70.12 N ATOM 371 CA TYR A 22 26.904 6.402 -10.643 1.00 60.43 C ATOM 372 C TYR A 22 28.376 6.786 -10.533 1.00 43.12 C ATOM 373 O TYR A 22 29.262 5.949 -10.706 1.00 54.35 O ATOM 374 CB TYR A 22 26.385 6.722 -12.046 1.00 42.40 C ATOM 375 CG TYR A 22 26.855 5.749 -13.103 1.00 23.31 C ATOM 376 CD1 TYR A 22 28.197 5.670 -13.455 1.00 23.22 C ATOM 377 CD2 TYR A 22 25.958 4.909 -13.750 1.00 60.53 C ATOM 378 CE1 TYR A 22 28.632 4.782 -14.420 1.00 54.33 C ATOM 379 CE2 TYR A 22 26.383 4.017 -14.716 1.00 25.11 C ATOM 380 CZ TYR A 22 27.721 3.958 -15.048 1.00 20.34 C ATOM 381 OH TYR A 22 28.149 3.072 -16.010 1.00 34.11 O ATOM 0 H TYR A 22 25.296 7.589 -10.010 1.00 70.12 H new ATOM 0 HA TYR A 22 26.813 5.331 -10.465 1.00 60.43 H new ATOM 0 HB2 TYR A 22 25.295 6.728 -12.028 1.00 42.40 H new ATOM 0 HB3 TYR A 22 26.704 7.727 -12.322 1.00 42.40 H new ATOM 0 HD1 TYR A 22 28.913 6.314 -12.966 1.00 23.22 H new ATOM 0 HD2 TYR A 22 24.910 4.954 -13.494 1.00 60.53 H new ATOM 0 HE1 TYR A 22 29.679 4.733 -14.681 1.00 54.33 H new ATOM 0 HE2 TYR A 22 25.672 3.370 -15.208 1.00 25.11 H new ATOM 0 HH TYR A 22 27.383 2.566 -16.352 1.00 34.11 H new ATOM 391 N GLU A 23 28.629 8.059 -10.243 1.00 72.41 N ATOM 392 CA GLU A 23 29.993 8.555 -10.110 1.00 24.22 C ATOM 393 C GLU A 23 30.680 7.938 -8.895 1.00 3.23 C ATOM 394 O GLU A 23 30.167 6.998 -8.288 1.00 33.40 O ATOM 395 CB GLU A 23 29.996 10.080 -9.991 1.00 52.32 C ATOM 396 CG GLU A 23 30.846 10.771 -11.044 1.00 51.31 C ATOM 397 CD GLU A 23 30.753 12.283 -10.969 1.00 31.00 C ATOM 398 OE1 GLU A 23 29.647 12.820 -11.191 1.00 5.44 O ATOM 399 OE2 GLU A 23 31.785 12.928 -10.689 1.00 55.31 O ATOM 0 H GLU A 23 27.907 8.765 -10.096 1.00 72.41 H new ATOM 0 HA GLU A 23 30.546 8.267 -11.004 1.00 24.22 H new ATOM 0 HB2 GLU A 23 28.971 10.444 -10.067 1.00 52.32 H new ATOM 0 HB3 GLU A 23 30.360 10.358 -9.002 1.00 52.32 H new ATOM 0 HG2 GLU A 23 31.886 10.468 -10.922 1.00 51.31 H new ATOM 0 HG3 GLU A 23 30.532 10.440 -12.034 1.00 51.31 H new ATOM 406 N HIS A 24 31.845 8.475 -8.545 1.00 63.51 N ATOM 407 CA HIS A 24 32.604 7.978 -7.402 1.00 75.35 C ATOM 408 C HIS A 24 33.162 6.586 -7.685 1.00 12.04 C ATOM 409 O HIS A 24 33.685 5.922 -6.789 1.00 71.43 O ATOM 410 CB HIS A 24 31.721 7.943 -6.154 1.00 62.53 C ATOM 411 CG HIS A 24 32.354 8.580 -4.956 1.00 34.14 C ATOM 412 ND1 HIS A 24 33.036 7.864 -3.994 1.00 55.14 N ATOM 413 CD2 HIS A 24 32.406 9.875 -4.566 1.00 2.11 C ATOM 414 CE1 HIS A 24 33.479 8.691 -3.064 1.00 53.15 C ATOM 415 NE2 HIS A 24 33.111 9.918 -3.388 1.00 34.31 N ATOM 0 H HIS A 24 32.284 9.254 -9.036 1.00 63.51 H new ATOM 0 HA HIS A 24 33.439 8.656 -7.228 1.00 75.35 H new ATOM 0 HB2 HIS A 24 30.780 8.449 -6.370 1.00 62.53 H new ATOM 0 HB3 HIS A 24 31.479 6.907 -5.919 1.00 62.53 H new ATOM 0 HD2 HIS A 24 31.974 10.718 -5.085 1.00 2.11 H new ATOM 0 HE1 HIS A 24 34.046 8.412 -2.188 1.00 53.15 H new ATOM 0 HE2 HIS A 24 33.317 10.760 -2.851 1.00 34.31 H new ATOM 423 N THR A 25 33.047 6.150 -8.935 1.00 74.41 N ATOM 424 CA THR A 25 33.538 4.837 -9.335 1.00 35.12 C ATOM 425 C THR A 25 33.364 4.618 -10.833 1.00 75.42 C ATOM 426 O THR A 25 33.219 3.485 -11.291 1.00 70.44 O ATOM 427 CB THR A 25 32.812 3.710 -8.575 1.00 11.41 C ATOM 428 OG1 THR A 25 33.383 2.442 -8.916 1.00 42.50 O ATOM 429 CG2 THR A 25 31.326 3.707 -8.901 1.00 41.34 C ATOM 0 H THR A 25 32.618 6.687 -9.688 1.00 74.41 H new ATOM 0 HA THR A 25 34.599 4.807 -9.087 1.00 35.12 H new ATOM 0 HB THR A 25 32.933 3.887 -7.506 1.00 11.41 H new ATOM 0 HG1 THR A 25 33.529 2.399 -9.884 1.00 42.50 H new ATOM 0 HG21 THR A 25 30.835 2.903 -8.353 1.00 41.34 H new ATOM 0 HG22 THR A 25 30.888 4.663 -8.613 1.00 41.34 H new ATOM 0 HG23 THR A 25 31.189 3.553 -9.971 1.00 41.34 H new ATOM 437 N MET A 26 33.379 5.709 -11.592 1.00 21.41 N ATOM 438 CA MET A 26 33.225 5.634 -13.040 1.00 52.12 C ATOM 439 C MET A 26 33.238 7.027 -13.661 1.00 11.43 C ATOM 440 O MET A 26 32.623 7.260 -14.703 1.00 23.14 O ATOM 441 CB MET A 26 31.923 4.915 -13.399 1.00 51.25 C ATOM 442 CG MET A 26 32.100 3.820 -14.439 1.00 3.14 C ATOM 443 SD MET A 26 31.430 2.236 -13.899 1.00 72.42 S ATOM 444 CE MET A 26 32.817 1.152 -14.227 1.00 24.50 C ATOM 0 H MET A 26 33.496 6.655 -11.228 1.00 21.41 H new ATOM 0 HA MET A 26 34.066 5.069 -13.441 1.00 52.12 H new ATOM 0 HB2 MET A 26 31.496 4.481 -12.495 1.00 51.25 H new ATOM 0 HB3 MET A 26 31.205 5.646 -13.771 1.00 51.25 H new ATOM 0 HG2 MET A 26 31.610 4.121 -15.365 1.00 3.14 H new ATOM 0 HG3 MET A 26 33.161 3.704 -14.663 1.00 3.14 H new ATOM 0 HE1 MET A 26 32.557 0.132 -13.944 1.00 24.50 H new ATOM 0 HE2 MET A 26 33.060 1.183 -15.289 1.00 24.50 H new ATOM 0 HE3 MET A 26 33.680 1.480 -13.648 1.00 24.50 H new ATOM 454 N LEU A 27 33.941 7.951 -13.015 1.00 11.11 N ATOM 455 CA LEU A 27 34.034 9.323 -13.504 1.00 33.45 C ATOM 456 C LEU A 27 34.765 10.210 -12.501 1.00 33.41 C ATOM 457 O LEU A 27 35.516 11.106 -12.884 1.00 12.11 O ATOM 458 CB LEU A 27 32.637 9.884 -13.775 1.00 32.22 C ATOM 459 CG LEU A 27 32.518 11.408 -13.793 1.00 52.12 C ATOM 460 CD1 LEU A 27 33.513 12.009 -14.773 1.00 41.42 C ATOM 461 CD2 LEU A 27 31.098 11.828 -14.147 1.00 4.05 C ATOM 0 H LEU A 27 34.455 7.775 -12.152 1.00 11.11 H new ATOM 0 HA LEU A 27 34.602 9.314 -14.434 1.00 33.45 H new ATOM 0 HB2 LEU A 27 32.294 9.501 -14.736 1.00 32.22 H new ATOM 0 HB3 LEU A 27 31.958 9.495 -13.016 1.00 32.22 H new ATOM 0 HG LEU A 27 32.749 11.783 -12.796 1.00 52.12 H new ATOM 0 HD11 LEU A 27 33.414 13.094 -14.772 1.00 41.42 H new ATOM 0 HD12 LEU A 27 34.526 11.737 -14.476 1.00 41.42 H new ATOM 0 HD13 LEU A 27 33.314 11.627 -15.774 1.00 41.42 H new ATOM 0 HD21 LEU A 27 31.032 12.916 -14.155 1.00 4.05 H new ATOM 0 HD22 LEU A 27 30.839 11.441 -15.133 1.00 4.05 H new ATOM 0 HD23 LEU A 27 30.405 11.428 -13.407 1.00 4.05 H new ATOM 473 N GLN A 28 34.541 9.951 -11.217 1.00 14.35 N ATOM 474 CA GLN A 28 35.180 10.726 -10.159 1.00 74.13 C ATOM 475 C GLN A 28 36.699 10.665 -10.282 1.00 55.21 C ATOM 476 O GLN A 28 37.355 11.681 -10.513 1.00 13.14 O ATOM 477 CB GLN A 28 34.746 10.209 -8.786 1.00 40.24 C ATOM 478 CG GLN A 28 35.528 10.817 -7.633 1.00 31.21 C ATOM 479 CD GLN A 28 35.658 12.323 -7.745 1.00 71.04 C ATOM 480 OE1 GLN A 28 34.665 13.033 -7.907 1.00 40.03 O ATOM 481 NE2 GLN A 28 36.887 12.819 -7.660 1.00 14.43 N ATOM 0 H GLN A 28 33.923 9.211 -10.884 1.00 14.35 H new ATOM 0 HA GLN A 28 34.867 11.765 -10.264 1.00 74.13 H new ATOM 0 HB2 GLN A 28 33.686 10.419 -8.646 1.00 40.24 H new ATOM 0 HB3 GLN A 28 34.862 9.125 -8.762 1.00 40.24 H new ATOM 0 HG2 GLN A 28 35.035 10.568 -6.693 1.00 31.21 H new ATOM 0 HG3 GLN A 28 36.522 10.372 -7.599 1.00 31.21 H new ATOM 0 HE21 GLN A 28 37.681 12.193 -7.526 1.00 14.43 H new ATOM 0 HE22 GLN A 28 37.037 13.826 -7.729 1.00 14.43 H new ATOM 490 N LYS A 29 37.252 9.468 -10.126 1.00 63.52 N ATOM 491 CA LYS A 29 38.694 9.273 -10.220 1.00 63.33 C ATOM 492 C LYS A 29 39.027 8.115 -11.156 1.00 51.02 C ATOM 493 O LYS A 29 40.058 7.459 -11.007 1.00 43.34 O ATOM 494 CB LYS A 29 39.285 9.008 -8.834 1.00 24.41 C ATOM 495 CG LYS A 29 38.870 7.672 -8.241 1.00 4.21 C ATOM 496 CD LYS A 29 39.117 7.627 -6.742 1.00 72.22 C ATOM 497 CE LYS A 29 40.497 7.074 -6.421 1.00 0.32 C ATOM 498 NZ LYS A 29 40.443 6.026 -5.364 1.00 74.05 N ATOM 0 H LYS A 29 36.723 8.617 -9.934 1.00 63.52 H new ATOM 0 HA LYS A 29 39.133 10.184 -10.627 1.00 63.33 H new ATOM 0 HB2 LYS A 29 40.372 9.045 -8.899 1.00 24.41 H new ATOM 0 HB3 LYS A 29 38.978 9.807 -8.159 1.00 24.41 H new ATOM 0 HG2 LYS A 29 37.813 7.496 -8.442 1.00 4.21 H new ATOM 0 HG3 LYS A 29 39.425 6.869 -8.726 1.00 4.21 H new ATOM 0 HD2 LYS A 29 39.020 8.630 -6.326 1.00 72.22 H new ATOM 0 HD3 LYS A 29 38.356 7.009 -6.265 1.00 72.22 H new ATOM 0 HE2 LYS A 29 40.940 6.656 -7.325 1.00 0.32 H new ATOM 0 HE3 LYS A 29 41.147 7.886 -6.094 1.00 0.32 H new ATOM 0 HZ1 LYS A 29 41.403 5.675 -5.174 1.00 74.05 H new ATOM 0 HZ2 LYS A 29 40.044 6.431 -4.493 1.00 74.05 H new ATOM 0 HZ3 LYS A 29 39.844 5.239 -5.686 1.00 74.05 H new ATOM 512 N LYS A 30 38.148 7.869 -12.122 1.00 11.52 N ATOM 513 CA LYS A 30 38.349 6.793 -13.084 1.00 72.05 C ATOM 514 C LYS A 30 38.473 5.447 -12.377 1.00 45.15 C ATOM 515 O LYS A 30 38.577 4.403 -13.022 1.00 44.44 O ATOM 516 CB LYS A 30 39.601 7.058 -13.923 1.00 50.34 C ATOM 517 CG LYS A 30 39.300 7.581 -15.317 1.00 53.13 C ATOM 518 CD LYS A 30 38.549 8.901 -15.268 1.00 11.15 C ATOM 519 CE LYS A 30 38.376 9.497 -16.656 1.00 70.34 C ATOM 520 NZ LYS A 30 37.046 10.146 -16.820 1.00 11.23 N ATOM 0 H LYS A 30 37.289 8.401 -12.259 1.00 11.52 H new ATOM 0 HA LYS A 30 37.480 6.760 -13.741 1.00 72.05 H new ATOM 0 HB2 LYS A 30 40.231 7.779 -13.402 1.00 50.34 H new ATOM 0 HB3 LYS A 30 40.174 6.135 -14.006 1.00 50.34 H new ATOM 0 HG2 LYS A 30 40.232 7.712 -15.866 1.00 53.13 H new ATOM 0 HG3 LYS A 30 38.709 6.845 -15.863 1.00 53.13 H new ATOM 0 HD2 LYS A 30 37.571 8.747 -14.813 1.00 11.15 H new ATOM 0 HD3 LYS A 30 39.089 9.604 -14.634 1.00 11.15 H new ATOM 0 HE2 LYS A 30 39.162 10.230 -16.837 1.00 70.34 H new ATOM 0 HE3 LYS A 30 38.492 8.713 -17.405 1.00 70.34 H new ATOM 0 HZ1 LYS A 30 36.968 10.540 -17.779 1.00 11.23 H new ATOM 0 HZ2 LYS A 30 36.295 9.441 -16.673 1.00 11.23 H new ATOM 0 HZ3 LYS A 30 36.945 10.911 -16.123 1.00 11.23 H new TER 534 LYS A 30