USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 hydrogens (3 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -80:sc= 1.14 USER MOD Single : A 11 THR OG1 : rot 33:sc= -0.0684 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 71:sc= 0.329 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 20.289 -10.578 -20.837 1.00 0.00 C HETATM 2 O ACE A 1 19.359 -9.820 -20.635 1.00 0.00 O HETATM 3 CH3 ACE A 1 21.134 -10.469 -22.108 1.00 0.00 C HETATM 0 H1 ACE A 1 22.172 -10.274 -21.839 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.073 -11.403 -22.667 1.00 0.00 H new HETATM 0 H3 ACE A 1 20.760 -9.652 -22.725 1.00 0.00 H new ATOM 7 N ARG A 2 20.608 -11.516 -19.980 1.00 0.00 N ATOM 8 CA ARG A 2 19.828 -11.678 -18.720 1.00 0.00 C ATOM 9 C ARG A 2 20.249 -10.592 -17.726 1.00 0.00 C ATOM 10 O ARG A 2 19.531 -9.635 -17.502 1.00 0.00 O ATOM 11 CB ARG A 2 20.094 -13.066 -18.126 1.00 0.00 C ATOM 12 CG ARG A 2 18.919 -13.999 -18.436 1.00 0.00 C ATOM 13 CD ARG A 2 17.854 -13.861 -17.344 1.00 0.00 C ATOM 14 NE ARG A 2 17.464 -12.428 -17.203 1.00 0.00 N ATOM 15 CZ ARG A 2 16.374 -11.988 -17.772 1.00 0.00 C ATOM 16 NH1 ARG A 2 16.277 -11.972 -19.073 1.00 0.00 N ATOM 17 NH2 ARG A 2 15.380 -11.561 -17.041 1.00 0.00 N ATOM 0 H ARG A 2 21.376 -12.176 -20.101 1.00 0.00 H new ATOM 0 HA ARG A 2 18.763 -11.582 -18.930 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.015 -13.477 -18.539 1.00 0.00 H new ATOM 0 HB3 ARG A 2 20.234 -12.989 -17.048 1.00 0.00 H new ATOM 0 HG2 ARG A 2 18.492 -13.753 -19.408 1.00 0.00 H new ATOM 0 HG3 ARG A 2 19.265 -15.031 -18.492 1.00 0.00 H new ATOM 0 HD2 ARG A 2 16.981 -14.463 -17.596 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.239 -14.238 -16.397 1.00 0.00 H new ATOM 0 HE ARG A 2 18.049 -11.791 -16.662 1.00 0.00 H new ATOM 0 HH11 ARG A 2 17.053 -12.303 -19.646 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.425 -11.628 -19.517 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.454 -11.571 -16.024 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.529 -11.218 -17.487 1.00 0.00 H new ATOM 31 N TYR A 3 21.411 -10.728 -17.138 1.00 0.00 N ATOM 32 CA TYR A 3 21.890 -9.698 -16.166 1.00 0.00 C ATOM 33 C TYR A 3 23.385 -9.389 -16.399 1.00 0.00 C ATOM 34 O TYR A 3 24.180 -9.480 -15.484 1.00 0.00 O ATOM 35 CB TYR A 3 21.679 -10.196 -14.727 1.00 0.00 C ATOM 36 CG TYR A 3 22.145 -11.629 -14.592 1.00 0.00 C ATOM 37 CD1 TYR A 3 21.252 -12.671 -14.852 1.00 0.00 C ATOM 38 CD2 TYR A 3 23.460 -11.913 -14.206 1.00 0.00 C ATOM 39 CE1 TYR A 3 21.671 -14.002 -14.729 1.00 0.00 C ATOM 40 CE2 TYR A 3 23.881 -13.243 -14.082 1.00 0.00 C ATOM 41 CZ TYR A 3 22.986 -14.287 -14.343 1.00 0.00 C ATOM 42 OH TYR A 3 23.400 -15.598 -14.221 1.00 0.00 O ATOM 0 H TYR A 3 22.049 -11.509 -17.289 1.00 0.00 H new ATOM 0 HA TYR A 3 21.316 -8.784 -16.318 1.00 0.00 H new ATOM 0 HB2 TYR A 3 22.228 -9.561 -14.031 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.624 -10.123 -14.461 1.00 0.00 H new ATOM 0 HD1 TYR A 3 20.237 -12.450 -15.148 1.00 0.00 H new ATOM 0 HD2 TYR A 3 24.150 -11.107 -14.004 1.00 0.00 H new ATOM 0 HE1 TYR A 3 20.980 -14.807 -14.932 1.00 0.00 H new ATOM 0 HE2 TYR A 3 24.896 -13.463 -13.785 1.00 0.00 H new ATOM 0 HH TYR A 3 24.340 -15.620 -13.946 1.00 0.00 H new ATOM 52 N PRO A 4 23.736 -9.009 -17.611 1.00 0.00 N ATOM 53 CA PRO A 4 25.135 -8.646 -18.026 1.00 0.00 C ATOM 54 C PRO A 4 25.463 -7.213 -17.585 1.00 0.00 C ATOM 55 O PRO A 4 26.113 -7.002 -16.578 1.00 0.00 O ATOM 56 CB PRO A 4 25.170 -8.773 -19.543 1.00 0.00 C ATOM 57 CG PRO A 4 23.744 -8.615 -20.023 1.00 0.00 C ATOM 58 CD PRO A 4 22.836 -8.856 -18.816 1.00 0.00 C ATOM 0 HA PRO A 4 25.877 -9.297 -17.563 1.00 0.00 H new ATOM 0 HB2 PRO A 4 25.813 -8.010 -19.981 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.574 -9.740 -19.842 1.00 0.00 H new ATOM 0 HG2 PRO A 4 23.584 -7.618 -20.433 1.00 0.00 H new ATOM 0 HG3 PRO A 4 23.524 -9.326 -20.819 1.00 0.00 H new ATOM 0 HD2 PRO A 4 22.147 -8.023 -18.679 1.00 0.00 H new ATOM 0 HD3 PRO A 4 22.230 -9.750 -18.961 1.00 0.00 H new ATOM 66 N TYR A 5 25.016 -6.230 -18.326 1.00 0.00 N ATOM 67 CA TYR A 5 25.293 -4.812 -17.952 1.00 0.00 C ATOM 68 C TYR A 5 24.574 -4.466 -16.640 1.00 0.00 C ATOM 69 O TYR A 5 24.918 -3.509 -15.973 1.00 0.00 O ATOM 70 CB TYR A 5 24.798 -3.887 -19.068 1.00 0.00 C ATOM 71 CG TYR A 5 25.556 -2.583 -19.015 1.00 0.00 C ATOM 72 CD1 TYR A 5 25.126 -1.559 -18.164 1.00 0.00 C ATOM 73 CD2 TYR A 5 26.691 -2.399 -19.815 1.00 0.00 C ATOM 74 CE1 TYR A 5 25.830 -0.351 -18.111 1.00 0.00 C ATOM 75 CE2 TYR A 5 27.395 -1.190 -19.762 1.00 0.00 C ATOM 76 CZ TYR A 5 26.964 -0.166 -18.910 1.00 0.00 C ATOM 77 OH TYR A 5 27.659 1.025 -18.857 1.00 0.00 O ATOM 0 H TYR A 5 24.468 -6.351 -19.178 1.00 0.00 H new ATOM 0 HA TYR A 5 26.366 -4.679 -17.815 1.00 0.00 H new ATOM 0 HB2 TYR A 5 24.939 -4.363 -20.038 1.00 0.00 H new ATOM 0 HB3 TYR A 5 23.729 -3.704 -18.956 1.00 0.00 H new ATOM 0 HD1 TYR A 5 24.250 -1.701 -17.548 1.00 0.00 H new ATOM 0 HD2 TYR A 5 27.023 -3.189 -20.472 1.00 0.00 H new ATOM 0 HE1 TYR A 5 25.498 0.439 -17.453 1.00 0.00 H new ATOM 0 HE2 TYR A 5 28.270 -1.047 -20.378 1.00 0.00 H new ATOM 0 HH TYR A 5 28.420 0.987 -19.473 1.00 0.00 H new ATOM 87 N TYR A 6 23.582 -5.240 -16.264 1.00 0.00 N ATOM 88 CA TYR A 6 22.843 -4.967 -14.998 1.00 0.00 C ATOM 89 C TYR A 6 23.809 -5.066 -13.815 1.00 0.00 C ATOM 90 O TYR A 6 23.691 -4.349 -12.840 1.00 0.00 O ATOM 91 CB TYR A 6 21.740 -6.018 -14.844 1.00 0.00 C ATOM 92 CG TYR A 6 20.536 -5.416 -14.160 1.00 0.00 C ATOM 93 CD1 TYR A 6 20.588 -5.092 -12.799 1.00 0.00 C ATOM 94 CD2 TYR A 6 19.363 -5.190 -14.889 1.00 0.00 C ATOM 95 CE1 TYR A 6 19.464 -4.542 -12.169 1.00 0.00 C ATOM 96 CE2 TYR A 6 18.241 -4.642 -14.259 1.00 0.00 C ATOM 97 CZ TYR A 6 18.291 -4.317 -12.899 1.00 0.00 C ATOM 98 OH TYR A 6 17.184 -3.778 -12.277 1.00 0.00 O ATOM 0 H TYR A 6 23.254 -6.053 -16.786 1.00 0.00 H new ATOM 0 HA TYR A 6 22.408 -3.968 -15.024 1.00 0.00 H new ATOM 0 HB2 TYR A 6 21.456 -6.403 -15.823 1.00 0.00 H new ATOM 0 HB3 TYR A 6 22.112 -6.863 -14.264 1.00 0.00 H new ATOM 0 HD1 TYR A 6 21.493 -5.266 -12.236 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.324 -5.439 -15.939 1.00 0.00 H new ATOM 0 HE1 TYR A 6 19.503 -4.291 -11.119 1.00 0.00 H new ATOM 0 HE2 TYR A 6 17.336 -4.470 -14.822 1.00 0.00 H new ATOM 0 HH TYR A 6 16.456 -3.686 -12.927 1.00 0.00 H new ATOM 108 N LEU A 7 24.759 -5.960 -13.902 1.00 0.00 N ATOM 109 CA LEU A 7 25.745 -6.138 -12.796 1.00 0.00 C ATOM 110 C LEU A 7 26.521 -4.838 -12.559 1.00 0.00 C ATOM 111 O LEU A 7 26.912 -4.539 -11.448 1.00 0.00 O ATOM 112 CB LEU A 7 26.727 -7.248 -13.173 1.00 0.00 C ATOM 113 CG LEU A 7 27.609 -7.579 -11.970 1.00 0.00 C ATOM 114 CD1 LEU A 7 26.754 -8.215 -10.873 1.00 0.00 C ATOM 115 CD2 LEU A 7 28.704 -8.560 -12.396 1.00 0.00 C ATOM 0 H LEU A 7 24.895 -6.580 -14.700 1.00 0.00 H new ATOM 0 HA LEU A 7 25.211 -6.403 -11.884 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.183 -8.136 -13.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.344 -6.932 -14.014 1.00 0.00 H new ATOM 0 HG LEU A 7 28.067 -6.665 -11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 7 27.382 -8.452 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.973 -7.518 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 7 26.297 -9.129 -11.252 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.334 -8.797 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 7 28.246 -9.474 -12.774 1.00 0.00 H new ATOM 0 HD23 LEU A 7 29.312 -8.108 -13.179 1.00 0.00 H new ATOM 127 N SER A 8 26.755 -4.071 -13.594 1.00 0.00 N ATOM 128 CA SER A 8 27.515 -2.795 -13.428 1.00 0.00 C ATOM 129 C SER A 8 26.663 -1.779 -12.666 1.00 0.00 C ATOM 130 O SER A 8 27.178 -0.946 -11.944 1.00 0.00 O ATOM 131 CB SER A 8 27.872 -2.231 -14.802 1.00 0.00 C ATOM 132 OG SER A 8 26.686 -1.803 -15.455 1.00 0.00 O ATOM 0 H SER A 8 26.452 -4.273 -14.547 1.00 0.00 H new ATOM 0 HA SER A 8 28.428 -2.992 -12.866 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.565 -1.396 -14.697 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.377 -2.990 -15.400 1.00 0.00 H new ATOM 0 HG SER A 8 26.230 -2.577 -15.846 1.00 0.00 H new ATOM 138 N ASP A 9 25.366 -1.843 -12.822 1.00 0.00 N ATOM 139 CA ASP A 9 24.473 -0.883 -12.110 1.00 0.00 C ATOM 140 C ASP A 9 24.402 -1.250 -10.625 1.00 0.00 C ATOM 141 O ASP A 9 24.225 -0.396 -9.775 1.00 0.00 O ATOM 142 CB ASP A 9 23.072 -0.945 -12.723 1.00 0.00 C ATOM 143 CG ASP A 9 22.987 0.031 -13.898 1.00 0.00 C ATOM 144 OD1 ASP A 9 23.768 -0.118 -14.823 1.00 0.00 O ATOM 145 OD2 ASP A 9 22.142 0.909 -13.854 1.00 0.00 O ATOM 0 H ASP A 9 24.886 -2.521 -13.414 1.00 0.00 H new ATOM 0 HA ASP A 9 24.870 0.127 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 22.856 -1.958 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.323 -0.693 -11.972 1.00 0.00 H new ATOM 150 N ILE A 10 24.542 -2.513 -10.306 1.00 0.00 N ATOM 151 CA ILE A 10 24.486 -2.941 -8.877 1.00 0.00 C ATOM 152 C ILE A 10 25.810 -2.603 -8.191 1.00 0.00 C ATOM 153 O ILE A 10 25.841 -2.254 -7.029 1.00 0.00 O ATOM 154 CB ILE A 10 24.255 -4.452 -8.797 1.00 0.00 C ATOM 155 CG1 ILE A 10 23.034 -4.839 -9.648 1.00 0.00 C ATOM 156 CG2 ILE A 10 24.031 -4.864 -7.335 1.00 0.00 C ATOM 157 CD1 ILE A 10 21.766 -4.176 -9.101 1.00 0.00 C ATOM 0 H ILE A 10 24.693 -3.267 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 10 23.668 -2.420 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 10 25.132 -4.971 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.193 -4.535 -10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 10 22.913 -5.922 -9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 10 23.867 -5.940 -7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.908 -4.601 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.158 -4.344 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 10 20.912 -4.461 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.599 -4.502 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 21.883 -3.093 -9.123 1.00 0.00 H new ATOM 169 N THR A 11 26.904 -2.713 -8.902 1.00 0.00 N ATOM 170 CA THR A 11 28.235 -2.412 -8.300 1.00 0.00 C ATOM 171 C THR A 11 28.279 -0.956 -7.826 1.00 0.00 C ATOM 172 O THR A 11 28.697 -0.667 -6.719 1.00 0.00 O ATOM 173 CB THR A 11 29.325 -2.641 -9.348 1.00 0.00 C ATOM 174 OG1 THR A 11 28.832 -2.278 -10.630 1.00 0.00 O ATOM 175 CG2 THR A 11 29.730 -4.117 -9.354 1.00 0.00 C ATOM 0 H THR A 11 26.930 -3.001 -9.880 1.00 0.00 H new ATOM 0 HA THR A 11 28.400 -3.068 -7.446 1.00 0.00 H new ATOM 0 HB THR A 11 30.194 -2.030 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.197 -1.537 -10.539 1.00 0.00 H new ATOM 0 HG21 THR A 11 30.507 -4.278 -10.101 1.00 0.00 H new ATOM 0 HG22 THR A 11 30.110 -4.394 -8.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.862 -4.731 -9.594 1.00 0.00 H new ATOM 183 N ASP A 12 27.854 -0.040 -8.658 1.00 0.00 N ATOM 184 CA ASP A 12 27.872 1.403 -8.269 1.00 0.00 C ATOM 185 C ASP A 12 26.978 1.626 -7.048 1.00 0.00 C ATOM 186 O ASP A 12 27.343 2.319 -6.114 1.00 0.00 O ATOM 187 CB ASP A 12 27.353 2.249 -9.433 1.00 0.00 C ATOM 188 CG ASP A 12 28.005 3.632 -9.389 1.00 0.00 C ATOM 189 OD1 ASP A 12 29.206 3.706 -9.593 1.00 0.00 O ATOM 190 OD2 ASP A 12 27.293 4.593 -9.149 1.00 0.00 O ATOM 0 H ASP A 12 27.494 -0.230 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 12 28.894 1.694 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.577 1.759 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 12 26.269 2.344 -9.372 1.00 0.00 H new ATOM 195 N VAL A 13 25.806 1.051 -7.056 1.00 0.00 N ATOM 196 CA VAL A 13 24.869 1.227 -5.908 1.00 0.00 C ATOM 197 C VAL A 13 25.487 0.637 -4.634 1.00 0.00 C ATOM 198 O VAL A 13 25.181 1.066 -3.538 1.00 0.00 O ATOM 199 CB VAL A 13 23.547 0.524 -6.215 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.545 0.796 -5.090 1.00 0.00 C ATOM 201 CG2 VAL A 13 22.978 1.053 -7.535 1.00 0.00 C ATOM 0 H VAL A 13 25.455 0.464 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 13 24.686 2.290 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 13 23.723 -0.549 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.604 0.293 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.944 0.419 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.373 1.869 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.035 0.551 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.807 2.126 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 13 23.686 0.859 -8.340 1.00 0.00 H new ATOM 211 N ILE A 14 26.350 -0.339 -4.770 1.00 0.00 N ATOM 212 CA ILE A 14 26.985 -0.955 -3.566 1.00 0.00 C ATOM 213 C ILE A 14 27.914 0.073 -2.907 1.00 0.00 C ATOM 214 O ILE A 14 28.009 0.146 -1.695 1.00 0.00 O ATOM 215 CB ILE A 14 27.773 -2.209 -3.994 1.00 0.00 C ATOM 216 CG1 ILE A 14 26.785 -3.292 -4.444 1.00 0.00 C ATOM 217 CG2 ILE A 14 28.601 -2.756 -2.823 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.447 -4.212 -5.474 1.00 0.00 C ATOM 0 H ILE A 14 26.642 -0.735 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 14 26.223 -1.251 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 14 28.445 -1.937 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.455 -3.874 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.897 -2.829 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 14 29.149 -3.641 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 14 29.306 -1.995 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.937 -3.022 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.737 -4.978 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 14 27.755 -3.626 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 14 28.321 -4.688 -5.029 1.00 0.00 H new ATOM 230 N PHE A 15 28.592 0.867 -3.694 1.00 0.00 N ATOM 231 CA PHE A 15 29.512 1.893 -3.121 1.00 0.00 C ATOM 232 C PHE A 15 28.709 2.871 -2.256 1.00 0.00 C ATOM 233 O PHE A 15 29.010 3.082 -1.095 1.00 0.00 O ATOM 234 CB PHE A 15 30.184 2.653 -4.266 1.00 0.00 C ATOM 235 CG PHE A 15 31.576 3.072 -3.856 1.00 0.00 C ATOM 236 CD1 PHE A 15 31.761 4.180 -3.019 1.00 0.00 C ATOM 237 CD2 PHE A 15 32.684 2.351 -4.317 1.00 0.00 C ATOM 238 CE1 PHE A 15 33.054 4.566 -2.643 1.00 0.00 C ATOM 239 CE2 PHE A 15 33.977 2.737 -3.942 1.00 0.00 C ATOM 240 CZ PHE A 15 34.162 3.844 -3.105 1.00 0.00 C ATOM 0 H PHE A 15 28.548 0.849 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 15 30.271 1.409 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 15 30.231 2.023 -5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 15 29.593 3.530 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 15 30.907 4.737 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 15 32.542 1.497 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 15 33.197 5.420 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 15 34.831 2.181 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 15 35.159 4.141 -2.815 1.00 0.00 H new ATOM 250 N ILE A 16 27.689 3.463 -2.819 1.00 0.00 N ATOM 251 CA ILE A 16 26.853 4.432 -2.046 1.00 0.00 C ATOM 252 C ILE A 16 25.961 3.691 -1.034 1.00 0.00 C ATOM 253 O ILE A 16 25.339 4.310 -0.191 1.00 0.00 O ATOM 254 CB ILE A 16 25.967 5.222 -3.016 1.00 0.00 C ATOM 255 CG1 ILE A 16 26.844 5.858 -4.108 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.209 6.320 -2.254 1.00 0.00 C ATOM 257 CD1 ILE A 16 26.783 5.013 -5.387 1.00 0.00 C ATOM 0 H ILE A 16 27.397 3.317 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 16 27.513 5.109 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 16 25.246 4.547 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 16 26.503 6.872 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.874 5.933 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.581 6.878 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.584 5.865 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.923 6.998 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.407 5.470 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.146 4.007 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.753 4.961 -5.740 1.00 0.00 H new ATOM 269 N TYR A 17 25.885 2.382 -1.109 1.00 0.00 N ATOM 270 CA TYR A 17 25.026 1.622 -0.153 1.00 0.00 C ATOM 271 C TYR A 17 25.674 1.626 1.236 1.00 0.00 C ATOM 272 O TYR A 17 25.184 2.251 2.157 1.00 0.00 O ATOM 273 CB TYR A 17 24.870 0.179 -0.655 1.00 0.00 C ATOM 274 CG TYR A 17 23.990 -0.612 0.287 1.00 0.00 C ATOM 275 CD1 TYR A 17 22.663 -0.224 0.502 1.00 0.00 C ATOM 276 CD2 TYR A 17 24.506 -1.735 0.944 1.00 0.00 C ATOM 277 CE1 TYR A 17 21.852 -0.958 1.375 1.00 0.00 C ATOM 278 CE2 TYR A 17 23.696 -2.469 1.817 1.00 0.00 C ATOM 279 CZ TYR A 17 22.368 -2.081 2.032 1.00 0.00 C ATOM 280 OH TYR A 17 21.569 -2.804 2.893 1.00 0.00 O ATOM 0 H TYR A 17 26.382 1.810 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 17 24.044 2.091 -0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 17 24.436 0.179 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.849 -0.294 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 17 22.265 0.642 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.530 -2.035 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.828 -0.658 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 17 24.095 -3.335 2.325 1.00 0.00 H new ATOM 0 HH TYR A 17 22.081 -3.552 3.264 1.00 0.00 H new ATOM 290 N PHE A 18 26.767 0.924 1.390 1.00 0.00 N ATOM 291 CA PHE A 18 27.451 0.868 2.718 1.00 0.00 C ATOM 292 C PHE A 18 27.870 2.278 3.155 1.00 0.00 C ATOM 293 O PHE A 18 27.912 2.585 4.331 1.00 0.00 O ATOM 294 CB PHE A 18 28.696 -0.018 2.610 1.00 0.00 C ATOM 295 CG PHE A 18 28.345 -1.442 2.979 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.030 -1.766 4.305 1.00 0.00 C ATOM 297 CD2 PHE A 18 28.340 -2.440 1.996 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.710 -3.086 4.647 1.00 0.00 C ATOM 299 CE2 PHE A 18 28.020 -3.760 2.338 1.00 0.00 C ATOM 300 CZ PHE A 18 27.705 -4.083 3.664 1.00 0.00 C ATOM 0 H PHE A 18 27.217 0.385 0.651 1.00 0.00 H new ATOM 0 HA PHE A 18 26.763 0.454 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.092 0.017 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.478 0.356 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.034 -0.998 5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.583 -2.191 0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.467 -3.335 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.016 -4.529 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.458 -5.101 3.928 1.00 0.00 H new ATOM 310 N ALA A 19 28.189 3.128 2.214 1.00 0.00 N ATOM 311 CA ALA A 19 28.623 4.519 2.555 1.00 0.00 C ATOM 312 C ALA A 19 27.521 5.257 3.321 1.00 0.00 C ATOM 313 O ALA A 19 27.748 5.805 4.378 1.00 0.00 O ATOM 314 CB ALA A 19 28.916 5.278 1.263 1.00 0.00 C ATOM 0 H ALA A 19 28.168 2.918 1.216 1.00 0.00 H new ATOM 0 HA ALA A 19 29.514 4.465 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.233 6.293 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 29.709 4.770 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.016 5.314 0.650 1.00 0.00 H new ATOM 320 N ALA A 20 26.340 5.295 2.772 1.00 0.00 N ATOM 321 CA ALA A 20 25.201 6.015 3.432 1.00 0.00 C ATOM 322 C ALA A 20 24.973 5.505 4.855 1.00 0.00 C ATOM 323 O ALA A 20 24.737 6.267 5.773 1.00 0.00 O ATOM 324 CB ALA A 20 23.932 5.762 2.631 1.00 0.00 C ATOM 0 H ALA A 20 26.106 4.854 1.882 1.00 0.00 H new ATOM 0 HA ALA A 20 25.444 7.077 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 20 23.096 6.280 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 20 24.064 6.132 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 20 23.726 4.692 2.604 1.00 0.00 H new ATOM 330 N LEU A 21 24.992 4.218 5.020 1.00 0.00 N ATOM 331 CA LEU A 21 24.736 3.612 6.364 1.00 0.00 C ATOM 332 C LEU A 21 25.910 3.857 7.328 1.00 0.00 C ATOM 333 O LEU A 21 25.756 3.755 8.531 1.00 0.00 O ATOM 334 CB LEU A 21 24.533 2.106 6.189 1.00 0.00 C ATOM 335 CG LEU A 21 23.238 1.856 5.414 1.00 0.00 C ATOM 336 CD1 LEU A 21 23.192 0.400 4.945 1.00 0.00 C ATOM 337 CD2 LEU A 21 22.039 2.137 6.322 1.00 0.00 C ATOM 0 H LEU A 21 25.176 3.545 4.276 1.00 0.00 H new ATOM 0 HA LEU A 21 23.848 4.078 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 25.379 1.673 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 21 24.487 1.618 7.163 1.00 0.00 H new ATOM 0 HG LEU A 21 23.202 2.516 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.269 0.224 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.045 0.199 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 23.229 -0.262 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.116 1.959 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 21 22.077 1.478 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 22.069 3.175 6.654 1.00 0.00 H new ATOM 349 N SER A 22 27.078 4.160 6.819 1.00 0.00 N ATOM 350 CA SER A 22 28.261 4.389 7.713 1.00 0.00 C ATOM 351 C SER A 22 27.982 5.513 8.734 1.00 0.00 C ATOM 352 O SER A 22 28.066 5.283 9.923 1.00 0.00 O ATOM 353 CB SER A 22 29.478 4.759 6.859 1.00 0.00 C ATOM 354 OG SER A 22 30.419 3.696 6.903 1.00 0.00 O ATOM 0 H SER A 22 27.266 4.259 5.821 1.00 0.00 H new ATOM 0 HA SER A 22 28.458 3.471 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 22 29.172 4.947 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.932 5.678 7.230 1.00 0.00 H new ATOM 0 HG SER A 22 31.199 3.927 6.357 1.00 0.00 H new ATOM 360 N PRO A 23 27.673 6.700 8.251 1.00 0.00 N ATOM 361 CA PRO A 23 27.383 7.929 9.082 1.00 0.00 C ATOM 362 C PRO A 23 26.060 7.780 9.814 1.00 0.00 C ATOM 363 O PRO A 23 25.986 7.900 11.019 1.00 0.00 O ATOM 364 CB PRO A 23 27.309 9.090 8.107 1.00 0.00 C ATOM 365 CG PRO A 23 26.985 8.496 6.763 1.00 0.00 C ATOM 366 CD PRO A 23 27.530 7.074 6.793 1.00 0.00 C ATOM 0 HA PRO A 23 28.155 8.084 9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.544 9.804 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 23 28.255 9.631 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.910 8.499 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.443 9.073 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 23 26.854 6.389 6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 23 28.491 7.016 6.281 1.00 0.00 H new ATOM 374 N ALA A 24 25.015 7.530 9.080 1.00 0.00 N ATOM 375 CA ALA A 24 23.653 7.370 9.696 1.00 0.00 C ATOM 376 C ALA A 24 23.713 6.417 10.902 1.00 0.00 C ATOM 377 O ALA A 24 22.923 6.516 11.822 1.00 0.00 O ATOM 378 CB ALA A 24 22.692 6.800 8.651 1.00 0.00 C ATOM 0 H ALA A 24 25.038 7.427 8.065 1.00 0.00 H new ATOM 0 HA ALA A 24 23.304 8.345 10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 21.703 6.682 9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 24 22.632 7.481 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 23.056 5.830 8.312 1.00 0.00 H new ATOM 384 N ILE A 25 24.651 5.504 10.901 1.00 0.00 N ATOM 385 CA ILE A 25 24.782 4.548 12.039 1.00 0.00 C ATOM 386 C ILE A 25 25.728 5.140 13.098 1.00 0.00 C ATOM 387 O ILE A 25 25.538 4.949 14.284 1.00 0.00 O ATOM 388 CB ILE A 25 25.335 3.212 11.512 1.00 0.00 C ATOM 389 CG1 ILE A 25 24.308 2.580 10.570 1.00 0.00 C ATOM 390 CG2 ILE A 25 25.603 2.245 12.673 1.00 0.00 C ATOM 391 CD1 ILE A 25 24.939 1.386 9.853 1.00 0.00 C ATOM 0 H ILE A 25 25.336 5.380 10.155 1.00 0.00 H new ATOM 0 HA ILE A 25 23.808 4.375 12.497 1.00 0.00 H new ATOM 0 HB ILE A 25 26.269 3.403 10.984 1.00 0.00 H new ATOM 0 HG12 ILE A 25 23.432 2.258 11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 25 23.966 3.315 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 25 25.994 1.306 12.281 1.00 0.00 H new ATOM 0 HG22 ILE A 25 26.332 2.686 13.353 1.00 0.00 H new ATOM 0 HG23 ILE A 25 24.674 2.056 13.211 1.00 0.00 H new ATOM 0 HD11 ILE A 25 24.207 0.936 9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 25 25.801 1.722 9.277 1.00 0.00 H new ATOM 0 HD13 ILE A 25 25.259 0.648 10.588 1.00 0.00 H new ATOM 403 N THR A 26 26.746 5.848 12.674 1.00 0.00 N ATOM 404 CA THR A 26 27.716 6.449 13.646 1.00 0.00 C ATOM 405 C THR A 26 26.980 7.352 14.642 1.00 0.00 C ATOM 406 O THR A 26 27.299 7.381 15.816 1.00 0.00 O ATOM 407 CB THR A 26 28.749 7.280 12.880 1.00 0.00 C ATOM 408 OG1 THR A 26 29.187 6.553 11.741 1.00 0.00 O ATOM 409 CG2 THR A 26 29.945 7.576 13.786 1.00 0.00 C ATOM 0 H THR A 26 26.949 6.037 11.692 1.00 0.00 H new ATOM 0 HA THR A 26 28.212 5.647 14.193 1.00 0.00 H new ATOM 0 HB THR A 26 28.296 8.219 12.563 1.00 0.00 H new ATOM 0 HG1 THR A 26 28.467 6.520 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 26 30.679 8.168 13.238 1.00 0.00 H new ATOM 0 HG22 THR A 26 29.610 8.133 14.661 1.00 0.00 H new ATOM 0 HG23 THR A 26 30.400 6.639 14.105 1.00 0.00 H new ATOM 417 N PHE A 27 26.001 8.089 14.181 1.00 0.00 N ATOM 418 CA PHE A 27 25.244 8.992 15.095 1.00 0.00 C ATOM 419 C PHE A 27 24.251 8.169 15.917 1.00 0.00 C ATOM 420 O PHE A 27 23.220 7.753 15.422 1.00 0.00 O ATOM 421 CB PHE A 27 24.482 10.031 14.269 1.00 0.00 C ATOM 422 CG PHE A 27 24.145 11.217 15.140 1.00 0.00 C ATOM 423 CD1 PHE A 27 22.967 11.218 15.896 1.00 0.00 C ATOM 424 CD2 PHE A 27 25.011 12.316 15.191 1.00 0.00 C ATOM 425 CE1 PHE A 27 22.655 12.318 16.704 1.00 0.00 C ATOM 426 CE2 PHE A 27 24.699 13.416 15.999 1.00 0.00 C ATOM 427 CZ PHE A 27 23.520 13.417 16.755 1.00 0.00 C ATOM 0 H PHE A 27 25.694 8.103 13.208 1.00 0.00 H new ATOM 0 HA PHE A 27 25.940 9.498 15.764 1.00 0.00 H new ATOM 0 HB2 PHE A 27 25.086 10.350 13.419 1.00 0.00 H new ATOM 0 HB3 PHE A 27 23.570 9.592 13.865 1.00 0.00 H new ATOM 0 HD1 PHE A 27 22.299 10.370 15.856 1.00 0.00 H new ATOM 0 HD2 PHE A 27 25.920 12.315 14.607 1.00 0.00 H new ATOM 0 HE1 PHE A 27 21.747 12.318 17.288 1.00 0.00 H new ATOM 0 HE2 PHE A 27 25.367 14.263 16.039 1.00 0.00 H new ATOM 0 HZ PHE A 27 23.278 14.266 17.377 1.00 0.00 H new ATOM 437 N GLY A 28 24.553 7.935 17.169 1.00 0.00 N ATOM 438 CA GLY A 28 23.631 7.143 18.031 1.00 0.00 C ATOM 439 C GLY A 28 24.277 5.803 18.381 1.00 0.00 C ATOM 440 O GLY A 28 24.299 4.887 17.580 1.00 0.00 O ATOM 0 H GLY A 28 25.402 8.261 17.631 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.403 7.697 18.942 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.686 6.978 17.514 1.00 0.00 H new ATOM 444 N GLY A 29 24.800 5.682 19.575 1.00 0.00 N ATOM 445 CA GLY A 29 25.445 4.405 19.990 1.00 0.00 C ATOM 446 C GLY A 29 26.965 4.574 19.986 1.00 0.00 C ATOM 447 O GLY A 29 27.655 4.041 19.138 1.00 0.00 O ATOM 0 H GLY A 29 24.807 6.418 20.281 1.00 0.00 H new ATOM 0 HA2 GLY A 29 25.103 4.120 20.985 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.156 3.602 19.311 1.00 0.00 H new ATOM 451 N LEU A 30 27.489 5.314 20.930 1.00 0.00 N ATOM 452 CA LEU A 30 28.966 5.527 20.993 1.00 0.00 C ATOM 453 C LEU A 30 29.670 4.183 21.202 1.00 0.00 C ATOM 454 O LEU A 30 29.302 3.410 22.067 1.00 0.00 O ATOM 455 CB LEU A 30 29.293 6.464 22.158 1.00 0.00 C ATOM 456 CG LEU A 30 30.765 6.870 22.088 1.00 0.00 C ATOM 457 CD1 LEU A 30 30.912 8.106 21.199 1.00 0.00 C ATOM 458 CD2 LEU A 30 31.271 7.193 23.496 1.00 0.00 C ATOM 0 H LEU A 30 26.955 5.781 21.662 1.00 0.00 H new ATOM 0 HA LEU A 30 29.310 5.972 20.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 28.658 7.349 22.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 29.086 5.968 23.106 1.00 0.00 H new ATOM 0 HG LEU A 30 31.349 6.050 21.670 1.00 0.00 H new ATOM 0 HD11 LEU A 30 31.962 8.396 21.149 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.550 7.878 20.196 1.00 0.00 H new ATOM 0 HD13 LEU A 30 30.329 8.926 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 30 32.321 7.483 23.448 1.00 0.00 H new ATOM 0 HD22 LEU A 30 30.687 8.013 23.913 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.166 6.313 24.131 1.00 0.00 H new ATOM 470 N LEU A 31 30.677 3.900 20.413 1.00 0.00 N ATOM 471 CA LEU A 31 31.409 2.607 20.556 1.00 0.00 C ATOM 472 C LEU A 31 32.510 2.757 21.610 1.00 0.00 C ATOM 473 O LEU A 31 32.818 1.829 22.333 1.00 0.00 O ATOM 474 CB LEU A 31 32.033 2.222 19.208 1.00 0.00 C ATOM 475 CG LEU A 31 31.841 0.724 18.956 1.00 0.00 C ATOM 476 CD1 LEU A 31 30.384 0.454 18.579 1.00 0.00 C ATOM 477 CD2 LEU A 31 32.753 0.278 17.810 1.00 0.00 C ATOM 0 H LEU A 31 31.023 4.512 19.674 1.00 0.00 H new ATOM 0 HA LEU A 31 30.715 1.827 20.869 1.00 0.00 H new ATOM 0 HB2 LEU A 31 31.571 2.797 18.406 1.00 0.00 H new ATOM 0 HB3 LEU A 31 33.095 2.467 19.205 1.00 0.00 H new ATOM 0 HG LEU A 31 32.093 0.169 19.859 1.00 0.00 H new ATOM 0 HD11 LEU A 31 30.246 -0.612 18.399 1.00 0.00 H new ATOM 0 HD12 LEU A 31 29.733 0.772 19.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 30.133 1.010 17.675 1.00 0.00 H new ATOM 0 HD21 LEU A 31 32.617 -0.788 17.630 1.00 0.00 H new ATOM 0 HD22 LEU A 31 32.500 0.833 16.907 1.00 0.00 H new ATOM 0 HD23 LEU A 31 33.792 0.471 18.076 1.00 0.00 H new ATOM 489 N GLY A 32 33.103 3.922 21.699 1.00 0.00 N ATOM 490 CA GLY A 32 34.186 4.142 22.704 1.00 0.00 C ATOM 491 C GLY A 32 34.716 5.573 22.580 1.00 0.00 C ATOM 492 O GLY A 32 34.513 6.234 21.579 1.00 0.00 O ATOM 0 H GLY A 32 32.883 4.731 21.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 33.803 3.971 23.710 1.00 0.00 H new ATOM 0 HA3 GLY A 32 34.995 3.429 22.545 1.00 0.00 H new ATOM 496 N GLU A 33 35.395 6.053 23.592 1.00 0.00 N ATOM 497 CA GLU A 33 35.943 7.441 23.544 1.00 0.00 C ATOM 498 C GLU A 33 37.153 7.481 22.607 1.00 0.00 C ATOM 499 O GLU A 33 37.326 8.414 21.845 1.00 0.00 O ATOM 500 CB GLU A 33 36.372 7.871 24.950 1.00 0.00 C ATOM 501 CG GLU A 33 35.150 7.908 25.883 1.00 0.00 C ATOM 502 CD GLU A 33 35.011 9.299 26.508 1.00 0.00 C ATOM 503 OE1 GLU A 33 34.646 10.215 25.790 1.00 0.00 O ATOM 504 OE2 GLU A 33 35.274 9.424 27.693 1.00 0.00 O ATOM 0 H GLU A 33 35.593 5.541 24.451 1.00 0.00 H new ATOM 0 HA GLU A 33 35.175 8.121 23.175 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.117 7.178 25.340 1.00 0.00 H new ATOM 0 HB3 GLU A 33 36.841 8.854 24.912 1.00 0.00 H new ATOM 0 HG2 GLU A 33 34.248 7.659 25.324 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.257 7.157 26.666 1.00 0.00 H new ATOM 511 N LYS A 34 37.988 6.475 22.660 1.00 0.00 N ATOM 512 CA LYS A 34 39.188 6.444 21.777 1.00 0.00 C ATOM 513 C LYS A 34 39.585 4.991 21.511 1.00 0.00 C ATOM 514 O LYS A 34 39.262 4.495 20.445 1.00 0.00 O ATOM 515 CB LYS A 34 40.347 7.172 22.462 1.00 0.00 C ATOM 516 CG LYS A 34 40.326 8.650 22.067 1.00 0.00 C ATOM 517 CD LYS A 34 41.578 9.343 22.608 1.00 0.00 C ATOM 518 CE LYS A 34 41.502 9.419 24.134 1.00 0.00 C ATOM 519 NZ LYS A 34 42.233 10.629 24.608 1.00 0.00 N ATOM 520 OXT LYS A 34 40.206 4.399 22.379 1.00 0.00 O ATOM 0 H LYS A 34 37.888 5.671 23.280 1.00 0.00 H new ATOM 0 HA LYS A 34 38.958 6.938 20.833 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.264 7.073 23.544 1.00 0.00 H new ATOM 0 HB3 LYS A 34 41.296 6.721 22.172 1.00 0.00 H new ATOM 0 HG2 LYS A 34 40.285 8.746 20.982 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.432 9.130 22.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 42.470 8.794 22.305 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.662 10.345 22.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 40.461 9.461 24.455 1.00 0.00 H new ATOM 0 HE3 LYS A 34 41.936 8.522 24.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 42.182 10.681 25.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 43.229 10.571 24.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 41.799 11.480 24.197 1.00 0.00 H new TER 534 LYS A 34