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 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 57:sc= 1.02 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 6.778 3.537 8.520 1.00 0.00 C HETATM 2 O ACE A 1 6.588 4.463 9.285 1.00 0.00 O HETATM 3 CH3 ACE A 1 6.508 3.683 7.022 1.00 0.00 C HETATM 0 H1 ACE A 1 7.429 3.506 6.467 1.00 0.00 H new HETATM 0 H2 ACE A 1 5.755 2.957 6.716 1.00 0.00 H new HETATM 0 H3 ACE A 1 6.147 4.690 6.814 1.00 0.00 H new ATOM 7 N ARG A 2 7.219 2.379 8.942 1.00 0.00 N ATOM 8 CA ARG A 2 7.503 2.162 10.388 1.00 0.00 C ATOM 9 C ARG A 2 8.560 1.058 10.533 1.00 0.00 C ATOM 10 O ARG A 2 9.737 1.335 10.669 1.00 0.00 O ATOM 11 CB ARG A 2 6.205 1.759 11.105 1.00 0.00 C ATOM 12 CG ARG A 2 5.712 2.908 11.987 1.00 0.00 C ATOM 13 CD ARG A 2 4.604 2.393 12.906 1.00 0.00 C ATOM 14 NE ARG A 2 3.393 2.088 12.094 1.00 0.00 N ATOM 15 CZ ARG A 2 2.853 0.902 12.152 1.00 0.00 C ATOM 16 NH1 ARG A 2 3.402 -0.095 11.514 1.00 0.00 N ATOM 17 NH2 ARG A 2 1.766 0.715 12.849 1.00 0.00 N ATOM 0 H ARG A 2 7.394 1.573 8.342 1.00 0.00 H new ATOM 0 HA ARG A 2 7.884 3.079 10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.441 1.500 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.377 0.871 11.714 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.536 3.308 12.578 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.338 3.724 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.938 1.499 13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.369 3.139 13.665 1.00 0.00 H new ATOM 0 HE ARG A 2 2.987 2.805 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.252 0.053 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.981 -1.023 11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.339 1.496 13.348 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.343 -0.212 12.895 1.00 0.00 H new ATOM 31 N TYR A 3 8.149 -0.188 10.513 1.00 0.00 N ATOM 32 CA TYR A 3 9.130 -1.304 10.658 1.00 0.00 C ATOM 33 C TYR A 3 9.470 -1.953 9.299 1.00 0.00 C ATOM 34 O TYR A 3 10.630 -2.187 9.029 1.00 0.00 O ATOM 35 CB TYR A 3 8.583 -2.373 11.616 1.00 0.00 C ATOM 36 CG TYR A 3 9.680 -3.368 11.925 1.00 0.00 C ATOM 37 CD1 TYR A 3 10.909 -2.922 12.428 1.00 0.00 C ATOM 38 CD2 TYR A 3 9.471 -4.733 11.700 1.00 0.00 C ATOM 39 CE1 TYR A 3 11.928 -3.842 12.705 1.00 0.00 C ATOM 40 CE2 TYR A 3 10.489 -5.653 11.978 1.00 0.00 C ATOM 41 CZ TYR A 3 11.717 -5.207 12.480 1.00 0.00 C ATOM 42 OH TYR A 3 12.721 -6.114 12.752 1.00 0.00 O ATOM 0 H TYR A 3 7.177 -0.477 10.403 1.00 0.00 H new ATOM 0 HA TYR A 3 10.046 -0.878 11.067 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.227 -1.908 12.535 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.730 -2.881 11.165 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.071 -1.868 12.602 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.524 -5.077 11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.876 -3.498 13.092 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.327 -6.707 11.805 1.00 0.00 H new ATOM 0 HH TYR A 3 12.410 -7.019 12.541 1.00 0.00 H new ATOM 52 N PRO A 4 8.477 -2.255 8.484 1.00 0.00 N ATOM 53 CA PRO A 4 8.630 -2.913 7.144 1.00 0.00 C ATOM 54 C PRO A 4 8.797 -1.885 6.022 1.00 0.00 C ATOM 55 O PRO A 4 9.852 -1.758 5.432 1.00 0.00 O ATOM 56 CB PRO A 4 7.344 -3.704 6.944 1.00 0.00 C ATOM 57 CG PRO A 4 6.286 -3.045 7.807 1.00 0.00 C ATOM 58 CD PRO A 4 7.003 -2.021 8.687 1.00 0.00 C ATOM 0 HA PRO A 4 9.520 -3.541 7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.046 -3.699 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.483 -4.746 7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.530 -2.561 7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.771 -3.786 8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.727 -1.005 8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.729 -2.147 9.734 1.00 0.00 H new ATOM 66 N TYR A 5 7.752 -1.173 5.711 1.00 0.00 N ATOM 67 CA TYR A 5 7.802 -0.160 4.609 1.00 0.00 C ATOM 68 C TYR A 5 9.014 0.775 4.756 1.00 0.00 C ATOM 69 O TYR A 5 9.478 1.343 3.784 1.00 0.00 O ATOM 70 CB TYR A 5 6.516 0.665 4.647 1.00 0.00 C ATOM 71 CG TYR A 5 6.441 1.551 3.429 1.00 0.00 C ATOM 72 CD1 TYR A 5 6.507 0.991 2.148 1.00 0.00 C ATOM 73 CD2 TYR A 5 6.300 2.933 3.583 1.00 0.00 C ATOM 74 CE1 TYR A 5 6.431 1.817 1.020 1.00 0.00 C ATOM 75 CE2 TYR A 5 6.224 3.759 2.457 1.00 0.00 C ATOM 76 CZ TYR A 5 6.289 3.202 1.176 1.00 0.00 C ATOM 77 OH TYR A 5 6.210 4.017 0.066 1.00 0.00 O ATOM 0 H TYR A 5 6.848 -1.248 6.178 1.00 0.00 H new ATOM 0 HA TYR A 5 7.898 -0.684 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.650 0.004 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.489 1.272 5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.616 -0.077 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.250 3.363 4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.482 1.387 0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.115 4.827 2.577 1.00 0.00 H new ATOM 0 HH TYR A 5 6.113 4.950 0.351 1.00 0.00 H new ATOM 87 N TYR A 6 9.522 0.946 5.951 1.00 0.00 N ATOM 88 CA TYR A 6 10.693 1.854 6.141 1.00 0.00 C ATOM 89 C TYR A 6 12.004 1.075 5.991 1.00 0.00 C ATOM 90 O TYR A 6 12.995 1.608 5.527 1.00 0.00 O ATOM 91 CB TYR A 6 10.631 2.490 7.530 1.00 0.00 C ATOM 92 CG TYR A 6 11.419 3.778 7.526 1.00 0.00 C ATOM 93 CD1 TYR A 6 10.825 4.963 7.073 1.00 0.00 C ATOM 94 CD2 TYR A 6 12.744 3.787 7.976 1.00 0.00 C ATOM 95 CE1 TYR A 6 11.557 6.157 7.072 1.00 0.00 C ATOM 96 CE2 TYR A 6 13.476 4.980 7.976 1.00 0.00 C ATOM 97 CZ TYR A 6 12.883 6.166 7.523 1.00 0.00 C ATOM 98 OH TYR A 6 13.605 7.342 7.524 1.00 0.00 O ATOM 0 H TYR A 6 9.178 0.498 6.800 1.00 0.00 H new ATOM 0 HA TYR A 6 10.658 2.634 5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.595 2.685 7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.036 1.805 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.803 4.956 6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 6 13.202 2.873 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.099 7.071 6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.498 4.986 8.325 1.00 0.00 H new ATOM 0 HH TYR A 6 14.507 7.172 7.869 1.00 0.00 H new ATOM 108 N LEU A 7 12.023 -0.175 6.383 1.00 0.00 N ATOM 109 CA LEU A 7 13.278 -0.984 6.267 1.00 0.00 C ATOM 110 C LEU A 7 13.732 -1.054 4.805 1.00 0.00 C ATOM 111 O LEU A 7 14.895 -1.268 4.521 1.00 0.00 O ATOM 112 CB LEU A 7 13.034 -2.404 6.784 1.00 0.00 C ATOM 113 CG LEU A 7 14.324 -2.945 7.408 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.984 -3.834 8.607 1.00 0.00 C ATOM 115 CD2 LEU A 7 15.088 -3.767 6.368 1.00 0.00 C ATOM 0 H LEU A 7 11.224 -0.671 6.778 1.00 0.00 H new ATOM 0 HA LEU A 7 14.054 -0.505 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.232 -2.402 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.713 -3.050 5.967 1.00 0.00 H new ATOM 0 HG LEU A 7 14.941 -2.110 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.904 -4.217 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.441 -3.250 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.365 -4.668 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.006 -4.152 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.468 -4.600 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.335 -3.135 5.515 1.00 0.00 H new ATOM 127 N SER A 8 12.824 -0.881 3.878 1.00 0.00 N ATOM 128 CA SER A 8 13.198 -0.941 2.435 1.00 0.00 C ATOM 129 C SER A 8 14.143 0.215 2.099 1.00 0.00 C ATOM 130 O SER A 8 15.108 0.051 1.376 1.00 0.00 O ATOM 131 CB SER A 8 11.934 -0.830 1.584 1.00 0.00 C ATOM 132 OG SER A 8 12.181 -1.382 0.298 1.00 0.00 O ATOM 0 H SER A 8 11.837 -0.700 4.061 1.00 0.00 H new ATOM 0 HA SER A 8 13.699 -1.886 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.110 -1.357 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.634 0.214 1.492 1.00 0.00 H new ATOM 0 HG SER A 8 11.371 -1.313 -0.249 1.00 0.00 H new ATOM 138 N ASP A 9 13.867 1.381 2.621 1.00 0.00 N ATOM 139 CA ASP A 9 14.734 2.566 2.343 1.00 0.00 C ATOM 140 C ASP A 9 16.164 2.288 2.816 1.00 0.00 C ATOM 141 O ASP A 9 17.125 2.650 2.163 1.00 0.00 O ATOM 142 CB ASP A 9 14.184 3.782 3.093 1.00 0.00 C ATOM 143 CG ASP A 9 14.471 5.054 2.294 1.00 0.00 C ATOM 144 OD1 ASP A 9 15.610 5.235 1.895 1.00 0.00 O ATOM 145 OD2 ASP A 9 13.548 5.827 2.095 1.00 0.00 O ATOM 0 H ASP A 9 13.072 1.565 3.233 1.00 0.00 H new ATOM 0 HA ASP A 9 14.740 2.762 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.110 3.672 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.642 3.850 4.080 1.00 0.00 H new ATOM 150 N ILE A 10 16.305 1.652 3.949 1.00 0.00 N ATOM 151 CA ILE A 10 17.666 1.354 4.479 1.00 0.00 C ATOM 152 C ILE A 10 18.363 0.328 3.579 1.00 0.00 C ATOM 153 O ILE A 10 19.565 0.363 3.412 1.00 0.00 O ATOM 154 CB ILE A 10 17.551 0.797 5.901 1.00 0.00 C ATOM 155 CG1 ILE A 10 16.763 1.779 6.774 1.00 0.00 C ATOM 156 CG2 ILE A 10 18.951 0.610 6.492 1.00 0.00 C ATOM 157 CD1 ILE A 10 16.522 1.155 8.150 1.00 0.00 C ATOM 0 H ILE A 10 15.534 1.326 4.531 1.00 0.00 H new ATOM 0 HA ILE A 10 18.254 2.272 4.495 1.00 0.00 H new ATOM 0 HB ILE A 10 17.034 -0.162 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.314 2.714 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.812 2.021 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.869 0.214 7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.517 -0.087 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.466 1.570 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.961 1.852 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.953 0.232 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.479 0.935 8.623 1.00 0.00 H new ATOM 169 N THR A 11 17.622 -0.586 3.001 1.00 0.00 N ATOM 170 CA THR A 11 18.245 -1.621 2.114 1.00 0.00 C ATOM 171 C THR A 11 19.019 -0.946 0.977 1.00 0.00 C ATOM 172 O THR A 11 20.171 -1.255 0.736 1.00 0.00 O ATOM 173 CB THR A 11 17.146 -2.511 1.528 1.00 0.00 C ATOM 174 OG1 THR A 11 16.132 -2.712 2.504 1.00 0.00 O ATOM 175 CG2 THR A 11 17.737 -3.862 1.120 1.00 0.00 C ATOM 0 H THR A 11 16.610 -0.661 3.105 1.00 0.00 H new ATOM 0 HA THR A 11 18.936 -2.226 2.701 1.00 0.00 H new ATOM 0 HB THR A 11 16.718 -2.027 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.426 -3.280 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.951 -4.492 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.514 -3.708 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.168 -4.350 1.994 1.00 0.00 H new ATOM 183 N ASP A 12 18.399 -0.027 0.280 1.00 0.00 N ATOM 184 CA ASP A 12 19.103 0.669 -0.840 1.00 0.00 C ATOM 185 C ASP A 12 20.317 1.424 -0.287 1.00 0.00 C ATOM 186 O ASP A 12 21.333 1.553 -0.945 1.00 0.00 O ATOM 187 CB ASP A 12 18.145 1.657 -1.511 1.00 0.00 C ATOM 188 CG ASP A 12 17.514 1.002 -2.742 1.00 0.00 C ATOM 189 OD1 ASP A 12 16.993 -0.093 -2.605 1.00 0.00 O ATOM 190 OD2 ASP A 12 17.564 1.606 -3.801 1.00 0.00 O ATOM 0 H ASP A 12 17.436 0.271 0.438 1.00 0.00 H new ATOM 0 HA ASP A 12 19.436 -0.065 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.368 1.960 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.682 2.560 -1.802 1.00 0.00 H new ATOM 195 N VAL A 13 20.213 1.917 0.919 1.00 0.00 N ATOM 196 CA VAL A 13 21.350 2.664 1.535 1.00 0.00 C ATOM 197 C VAL A 13 22.556 1.730 1.684 1.00 0.00 C ATOM 198 O VAL A 13 23.688 2.137 1.508 1.00 0.00 O ATOM 199 CB VAL A 13 20.933 3.185 2.911 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.055 4.047 3.506 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.659 4.026 2.776 1.00 0.00 C ATOM 0 H VAL A 13 19.384 1.834 1.508 1.00 0.00 H new ATOM 0 HA VAL A 13 21.620 3.505 0.896 1.00 0.00 H new ATOM 0 HB VAL A 13 20.743 2.339 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.751 4.415 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.959 3.447 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.253 4.892 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.362 4.397 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.848 4.869 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.859 3.411 2.364 1.00 0.00 H new ATOM 211 N ILE A 14 22.317 0.484 2.009 1.00 0.00 N ATOM 212 CA ILE A 14 23.442 -0.484 2.173 1.00 0.00 C ATOM 213 C ILE A 14 23.981 -0.886 0.782 1.00 0.00 C ATOM 214 O ILE A 14 25.090 -1.371 0.665 1.00 0.00 O ATOM 215 CB ILE A 14 22.932 -1.707 2.993 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.237 -1.468 4.477 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.612 -3.022 2.571 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.126 -0.634 5.119 1.00 0.00 C ATOM 0 H ILE A 14 21.387 0.095 2.168 1.00 0.00 H new ATOM 0 HA ILE A 14 24.270 -0.035 2.721 1.00 0.00 H new ATOM 0 HB ILE A 14 21.862 -1.803 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 14 23.330 -2.423 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.193 -0.955 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.222 -3.843 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.408 -3.215 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.688 -2.940 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.355 -0.472 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.053 0.328 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.177 -1.163 5.031 1.00 0.00 H new ATOM 230 N PHE A 15 23.212 -0.692 -0.264 1.00 0.00 N ATOM 231 CA PHE A 15 23.691 -1.067 -1.629 1.00 0.00 C ATOM 232 C PHE A 15 24.831 -0.131 -2.052 1.00 0.00 C ATOM 233 O PHE A 15 25.879 -0.573 -2.488 1.00 0.00 O ATOM 234 CB PHE A 15 22.534 -0.949 -2.624 1.00 0.00 C ATOM 235 CG PHE A 15 22.821 -1.801 -3.837 1.00 0.00 C ATOM 236 CD1 PHE A 15 23.037 -3.177 -3.690 1.00 0.00 C ATOM 237 CD2 PHE A 15 22.871 -1.216 -5.107 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.303 -3.967 -4.815 1.00 0.00 C ATOM 239 CE2 PHE A 15 23.137 -2.007 -6.232 1.00 0.00 C ATOM 240 CZ PHE A 15 23.353 -3.382 -6.085 1.00 0.00 C ATOM 0 H PHE A 15 22.275 -0.291 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 15 24.056 -2.094 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.603 -1.268 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.401 0.091 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.998 -3.628 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 15 22.705 -0.155 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.470 -5.028 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 15 23.175 -1.556 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 15 23.558 -3.992 -6.952 1.00 0.00 H new ATOM 250 N ILE A 16 24.633 1.158 -1.926 1.00 0.00 N ATOM 251 CA ILE A 16 25.699 2.132 -2.319 1.00 0.00 C ATOM 252 C ILE A 16 26.807 2.147 -1.260 1.00 0.00 C ATOM 253 O ILE A 16 27.966 2.348 -1.570 1.00 0.00 O ATOM 254 CB ILE A 16 25.087 3.533 -2.446 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.892 3.486 -3.412 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.141 4.508 -2.979 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.580 3.477 -2.619 1.00 0.00 C ATOM 0 H ILE A 16 23.776 1.579 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 16 26.126 1.833 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 16 24.747 3.870 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.918 4.348 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.954 2.596 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.704 5.503 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.985 4.543 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 16 26.484 4.173 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.738 3.444 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.553 2.601 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.516 4.380 -2.012 1.00 0.00 H new ATOM 269 N TYR A 17 26.460 1.938 -0.014 1.00 0.00 N ATOM 270 CA TYR A 17 27.493 1.940 1.070 1.00 0.00 C ATOM 271 C TYR A 17 28.510 0.821 0.810 1.00 0.00 C ATOM 272 O TYR A 17 29.701 1.003 0.979 1.00 0.00 O ATOM 273 CB TYR A 17 26.808 1.712 2.428 1.00 0.00 C ATOM 274 CG TYR A 17 27.154 2.834 3.383 1.00 0.00 C ATOM 275 CD1 TYR A 17 28.489 3.072 3.735 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.136 3.633 3.916 1.00 0.00 C ATOM 277 CE1 TYR A 17 28.804 4.110 4.621 1.00 0.00 C ATOM 278 CE2 TYR A 17 26.451 4.671 4.801 1.00 0.00 C ATOM 279 CZ TYR A 17 27.785 4.910 5.154 1.00 0.00 C ATOM 280 OH TYR A 17 28.094 5.934 6.026 1.00 0.00 O ATOM 0 H TYR A 17 25.505 1.766 0.300 1.00 0.00 H new ATOM 0 HA TYR A 17 28.009 2.900 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.728 1.659 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.125 0.757 2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.275 2.456 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.107 3.449 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.833 4.294 4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 25.665 5.288 5.212 1.00 0.00 H new ATOM 0 HH TYR A 17 27.271 6.390 6.300 1.00 0.00 H new ATOM 290 N PHE A 18 28.044 -0.332 0.403 1.00 0.00 N ATOM 291 CA PHE A 18 28.971 -1.473 0.129 1.00 0.00 C ATOM 292 C PHE A 18 29.754 -1.201 -1.157 1.00 0.00 C ATOM 293 O PHE A 18 30.859 -1.671 -1.329 1.00 0.00 O ATOM 294 CB PHE A 18 28.155 -2.760 -0.033 1.00 0.00 C ATOM 295 CG PHE A 18 28.842 -3.896 0.692 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.770 -3.983 2.087 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.552 -4.860 -0.034 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.408 -5.035 2.757 1.00 0.00 C ATOM 299 CE2 PHE A 18 30.189 -5.912 0.636 1.00 0.00 C ATOM 300 CZ PHE A 18 30.117 -5.999 2.031 1.00 0.00 C ATOM 0 H PHE A 18 27.056 -0.534 0.248 1.00 0.00 H new ATOM 0 HA PHE A 18 29.668 -1.583 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.150 -2.617 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.048 -3.003 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.223 -3.239 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.608 -4.792 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.353 -5.102 3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.736 -6.656 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.609 -6.810 2.547 1.00 0.00 H new ATOM 310 N ALA A 19 29.179 -0.450 -2.060 1.00 0.00 N ATOM 311 CA ALA A 19 29.867 -0.132 -3.351 1.00 0.00 C ATOM 312 C ALA A 19 31.212 0.544 -3.079 1.00 0.00 C ATOM 313 O ALA A 19 32.219 0.231 -3.681 1.00 0.00 O ATOM 314 CB ALA A 19 28.992 0.835 -4.139 1.00 0.00 C ATOM 0 H ALA A 19 28.251 -0.038 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 19 30.032 -1.054 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.478 1.078 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 28.025 0.372 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.846 1.747 -3.561 1.00 0.00 H new ATOM 320 N ALA A 20 31.213 1.486 -2.182 1.00 0.00 N ATOM 321 CA ALA A 20 32.464 2.236 -1.833 1.00 0.00 C ATOM 322 C ALA A 20 33.621 1.277 -1.539 1.00 0.00 C ATOM 323 O ALA A 20 34.723 1.442 -2.027 1.00 0.00 O ATOM 324 CB ALA A 20 32.199 3.062 -0.579 1.00 0.00 C ATOM 0 H ALA A 20 30.386 1.779 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 20 32.737 2.868 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.099 3.615 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.386 3.763 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.922 2.400 0.241 1.00 0.00 H new ATOM 330 N LEU A 21 33.372 0.301 -0.718 1.00 0.00 N ATOM 331 CA LEU A 21 34.440 -0.677 -0.340 1.00 0.00 C ATOM 332 C LEU A 21 34.553 -1.808 -1.384 1.00 0.00 C ATOM 333 O LEU A 21 35.508 -2.561 -1.382 1.00 0.00 O ATOM 334 CB LEU A 21 34.090 -1.274 1.031 1.00 0.00 C ATOM 335 CG LEU A 21 35.301 -1.180 1.974 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.838 -0.719 3.359 1.00 0.00 C ATOM 337 CD2 LEU A 21 35.971 -2.555 2.092 1.00 0.00 C ATOM 0 H LEU A 21 32.465 0.132 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 21 35.399 -0.160 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 33.242 -0.742 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.789 -2.315 0.917 1.00 0.00 H new ATOM 0 HG LEU A 21 36.015 -0.462 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.697 -0.653 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.365 0.260 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.121 -1.436 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 36.829 -2.486 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 21 35.257 -3.275 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 36.304 -2.883 1.107 1.00 0.00 H new ATOM 349 N SER A 22 33.589 -1.940 -2.262 1.00 0.00 N ATOM 350 CA SER A 22 33.627 -3.025 -3.296 1.00 0.00 C ATOM 351 C SER A 22 34.968 -3.049 -4.060 1.00 0.00 C ATOM 352 O SER A 22 35.552 -4.105 -4.205 1.00 0.00 O ATOM 353 CB SER A 22 32.478 -2.820 -4.284 1.00 0.00 C ATOM 354 OG SER A 22 31.250 -3.132 -3.640 1.00 0.00 O ATOM 0 H SER A 22 32.768 -1.336 -2.308 1.00 0.00 H new ATOM 0 HA SER A 22 33.522 -3.981 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.466 -1.789 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 22 32.616 -3.456 -5.159 1.00 0.00 H new ATOM 0 HG SER A 22 31.152 -2.579 -2.837 1.00 0.00 H new ATOM 360 N PRO A 23 35.430 -1.909 -4.534 1.00 0.00 N ATOM 361 CA PRO A 23 36.718 -1.770 -5.304 1.00 0.00 C ATOM 362 C PRO A 23 37.898 -1.976 -4.370 1.00 0.00 C ATOM 363 O PRO A 23 38.750 -2.806 -4.598 1.00 0.00 O ATOM 364 CB PRO A 23 36.732 -0.358 -5.861 1.00 0.00 C ATOM 365 CG PRO A 23 35.814 0.452 -4.986 1.00 0.00 C ATOM 366 CD PRO A 23 34.807 -0.534 -4.407 1.00 0.00 C ATOM 0 HA PRO A 23 36.790 -2.509 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 23 37.741 0.054 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 23 36.393 -0.346 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 23 36.371 0.952 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 23 35.312 1.230 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.591 -0.301 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.861 -0.485 -4.947 1.00 0.00 H new ATOM 374 N ALA A 24 37.940 -1.212 -3.317 1.00 0.00 N ATOM 375 CA ALA A 24 39.056 -1.317 -2.314 1.00 0.00 C ATOM 376 C ALA A 24 39.349 -2.785 -1.960 1.00 0.00 C ATOM 377 O ALA A 24 40.462 -3.135 -1.613 1.00 0.00 O ATOM 378 CB ALA A 24 38.656 -0.570 -1.041 1.00 0.00 C ATOM 0 H ALA A 24 37.240 -0.504 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 24 39.954 -0.880 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.460 -0.642 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 24 38.472 0.478 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.750 -1.013 -0.629 1.00 0.00 H new ATOM 384 N ILE A 25 38.361 -3.640 -2.051 1.00 0.00 N ATOM 385 CA ILE A 25 38.578 -5.082 -1.727 1.00 0.00 C ATOM 386 C ILE A 25 39.254 -5.784 -2.917 1.00 0.00 C ATOM 387 O ILE A 25 40.172 -6.564 -2.743 1.00 0.00 O ATOM 388 CB ILE A 25 37.226 -5.752 -1.422 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.578 -5.063 -0.215 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.433 -7.245 -1.107 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.062 -5.279 -0.254 1.00 0.00 C ATOM 0 H ILE A 25 37.412 -3.400 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 25 39.223 -5.163 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 25 36.578 -5.659 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.989 -5.466 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.804 -3.997 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.470 -7.709 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.890 -7.738 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.086 -7.347 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.602 -4.789 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.658 -4.855 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.846 -6.347 -0.221 1.00 0.00 H new ATOM 403 N THR A 26 38.800 -5.522 -4.120 1.00 0.00 N ATOM 404 CA THR A 26 39.408 -6.182 -5.319 1.00 0.00 C ATOM 405 C THR A 26 40.818 -5.635 -5.559 1.00 0.00 C ATOM 406 O THR A 26 41.797 -6.349 -5.455 1.00 0.00 O ATOM 407 CB THR A 26 38.543 -5.904 -6.554 1.00 0.00 C ATOM 408 OG1 THR A 26 37.196 -6.262 -6.277 1.00 0.00 O ATOM 409 CG2 THR A 26 39.056 -6.724 -7.745 1.00 0.00 C ATOM 0 H THR A 26 38.034 -4.879 -4.323 1.00 0.00 H new ATOM 0 HA THR A 26 39.462 -7.256 -5.142 1.00 0.00 H new ATOM 0 HB THR A 26 38.597 -4.843 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.641 -6.083 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.437 -6.522 -8.619 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.088 -6.448 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.007 -7.786 -7.504 1.00 0.00 H new ATOM 417 N PHE A 27 40.922 -4.371 -5.887 1.00 0.00 N ATOM 418 CA PHE A 27 42.257 -3.742 -6.148 1.00 0.00 C ATOM 419 C PHE A 27 43.237 -4.069 -5.011 1.00 0.00 C ATOM 420 O PHE A 27 42.863 -4.129 -3.855 1.00 0.00 O ATOM 421 CB PHE A 27 42.075 -2.219 -6.242 1.00 0.00 C ATOM 422 CG PHE A 27 42.224 -1.764 -7.674 1.00 0.00 C ATOM 423 CD1 PHE A 27 41.112 -1.746 -8.524 1.00 0.00 C ATOM 424 CD2 PHE A 27 43.474 -1.351 -8.149 1.00 0.00 C ATOM 425 CE1 PHE A 27 41.251 -1.317 -9.850 1.00 0.00 C ATOM 426 CE2 PHE A 27 43.614 -0.924 -9.474 1.00 0.00 C ATOM 427 CZ PHE A 27 42.502 -0.906 -10.325 1.00 0.00 C ATOM 0 H PHE A 27 40.128 -3.738 -5.987 1.00 0.00 H new ATOM 0 HA PHE A 27 42.663 -4.134 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.092 -1.939 -5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.812 -1.718 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.147 -2.063 -8.157 1.00 0.00 H new ATOM 0 HD2 PHE A 27 44.331 -1.362 -7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 27 40.393 -1.303 -10.506 1.00 0.00 H new ATOM 0 HE2 PHE A 27 44.580 -0.608 -9.840 1.00 0.00 H new ATOM 0 HZ PHE A 27 42.610 -0.575 -11.347 1.00 0.00 H new ATOM 437 N GLY A 28 44.487 -4.277 -5.339 1.00 0.00 N ATOM 438 CA GLY A 28 45.497 -4.598 -4.291 1.00 0.00 C ATOM 439 C GLY A 28 45.942 -3.307 -3.603 1.00 0.00 C ATOM 440 O GLY A 28 45.129 -2.476 -3.243 1.00 0.00 O ATOM 0 H GLY A 28 44.851 -4.238 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 28 45.072 -5.285 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 28 46.355 -5.099 -4.739 1.00 0.00 H new ATOM 444 N GLY A 29 47.225 -3.135 -3.421 1.00 0.00 N ATOM 445 CA GLY A 29 47.735 -1.901 -2.758 1.00 0.00 C ATOM 446 C GLY A 29 47.914 -0.773 -3.785 1.00 0.00 C ATOM 447 O GLY A 29 48.166 0.360 -3.421 1.00 0.00 O ATOM 0 H GLY A 29 47.944 -3.800 -3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.040 -1.585 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.687 -2.110 -2.269 1.00 0.00 H new ATOM 451 N LEU A 30 47.793 -1.066 -5.062 1.00 0.00 N ATOM 452 CA LEU A 30 47.965 -0.002 -6.096 1.00 0.00 C ATOM 453 C LEU A 30 46.716 0.886 -6.129 1.00 0.00 C ATOM 454 O LEU A 30 45.806 0.663 -6.907 1.00 0.00 O ATOM 455 CB LEU A 30 48.181 -0.655 -7.471 1.00 0.00 C ATOM 456 CG LEU A 30 49.426 -0.062 -8.139 1.00 0.00 C ATOM 457 CD1 LEU A 30 50.640 -0.935 -7.820 1.00 0.00 C ATOM 458 CD2 LEU A 30 49.219 -0.012 -9.656 1.00 0.00 C ATOM 0 H LEU A 30 47.583 -1.995 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 30 48.832 0.611 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 48.297 -1.733 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 47.307 -0.493 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 30 49.594 0.947 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 30 51.526 -0.514 -8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 30 50.789 -0.971 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 30 50.472 -1.944 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 30 50.105 0.410 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 30 49.051 -1.021 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 48.354 0.610 -9.885 1.00 0.00 H new ATOM 470 N LEU A 31 46.671 1.892 -5.293 1.00 0.00 N ATOM 471 CA LEU A 31 45.491 2.804 -5.270 1.00 0.00 C ATOM 472 C LEU A 31 45.630 3.834 -6.391 1.00 0.00 C ATOM 473 O LEU A 31 44.650 4.293 -6.949 1.00 0.00 O ATOM 474 CB LEU A 31 45.430 3.523 -3.922 1.00 0.00 C ATOM 475 CG LEU A 31 44.568 2.717 -2.950 1.00 0.00 C ATOM 476 CD1 LEU A 31 45.331 1.467 -2.508 1.00 0.00 C ATOM 477 CD2 LEU A 31 44.244 3.577 -1.726 1.00 0.00 C ATOM 0 H LEU A 31 47.405 2.121 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 31 44.578 2.227 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 31 46.435 3.645 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.014 4.522 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 31 43.642 2.421 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 44.717 0.892 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 31 45.564 0.856 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.257 1.762 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 31 43.629 3.004 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 45.170 3.872 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 31 43.701 4.468 -2.041 1.00 0.00 H new ATOM 489 N GLY A 32 46.842 4.199 -6.723 1.00 0.00 N ATOM 490 CA GLY A 32 47.060 5.200 -7.807 1.00 0.00 C ATOM 491 C GLY A 32 47.496 6.531 -7.193 1.00 0.00 C ATOM 492 O GLY A 32 47.945 6.584 -6.063 1.00 0.00 O ATOM 0 H GLY A 32 47.693 3.844 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 32 47.820 4.841 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 46.143 5.335 -8.381 1.00 0.00 H new ATOM 496 N GLU A 33 47.365 7.605 -7.930 1.00 0.00 N ATOM 497 CA GLU A 33 47.768 8.938 -7.398 1.00 0.00 C ATOM 498 C GLU A 33 46.660 9.481 -6.492 1.00 0.00 C ATOM 499 O GLU A 33 46.900 9.853 -5.358 1.00 0.00 O ATOM 500 CB GLU A 33 47.996 9.905 -8.563 1.00 0.00 C ATOM 501 CG GLU A 33 49.155 10.844 -8.226 1.00 0.00 C ATOM 502 CD GLU A 33 50.458 10.044 -8.166 1.00 0.00 C ATOM 503 OE1 GLU A 33 50.676 9.238 -9.055 1.00 0.00 O ATOM 504 OE2 GLU A 33 51.215 10.251 -7.232 1.00 0.00 O ATOM 0 H GLU A 33 46.995 7.614 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 33 48.690 8.838 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 33 48.218 9.348 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 33 47.091 10.481 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 33 49.232 11.629 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 33 48.973 11.335 -7.270 1.00 0.00 H new ATOM 511 N LYS A 34 45.449 9.527 -6.986 1.00 0.00 N ATOM 512 CA LYS A 34 44.318 10.043 -6.166 1.00 0.00 C ATOM 513 C LYS A 34 43.170 9.032 -6.182 1.00 0.00 C ATOM 514 O LYS A 34 43.351 7.968 -6.752 1.00 0.00 O ATOM 515 CB LYS A 34 43.836 11.376 -6.743 1.00 0.00 C ATOM 516 CG LYS A 34 43.108 12.169 -5.656 1.00 0.00 C ATOM 517 CD LYS A 34 42.303 13.300 -6.300 1.00 0.00 C ATOM 518 CE LYS A 34 41.270 13.822 -5.301 1.00 0.00 C ATOM 519 NZ LYS A 34 40.028 13.003 -5.396 1.00 0.00 N ATOM 520 OXT LYS A 34 42.129 9.338 -5.625 1.00 0.00 O ATOM 0 H LYS A 34 45.196 9.227 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 34 44.653 10.192 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 34 44.683 11.949 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 34 43.170 11.199 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 34 42.445 11.511 -5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 34 43.827 12.579 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 34 42.969 14.107 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.805 12.940 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 34 41.672 13.776 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 34 41.045 14.868 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.325 13.358 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 39.642 13.068 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 40.249 12.010 -5.178 1.00 0.00 H new TER 534 LYS A 34