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 84:sc= 0.0347 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 38:sc= 0.67 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 23.035 12.824 21.089 1.00 0.00 C HETATM 2 O ACE A 1 24.226 12.615 20.953 1.00 0.00 O HETATM 3 CH3 ACE A 1 22.511 14.220 21.436 1.00 0.00 C HETATM 0 H1 ACE A 1 21.840 14.563 20.649 1.00 0.00 H new HETATM 0 H2 ACE A 1 21.971 14.181 22.382 1.00 0.00 H new HETATM 0 H3 ACE A 1 23.349 14.911 21.525 1.00 0.00 H new ATOM 7 N ARG A 2 22.151 11.868 20.947 1.00 0.00 N ATOM 8 CA ARG A 2 22.585 10.484 20.609 1.00 0.00 C ATOM 9 C ARG A 2 22.020 10.089 19.242 1.00 0.00 C ATOM 10 O ARG A 2 22.668 9.413 18.466 1.00 0.00 O ATOM 11 CB ARG A 2 22.075 9.511 21.680 1.00 0.00 C ATOM 12 CG ARG A 2 23.216 9.150 22.636 1.00 0.00 C ATOM 13 CD ARG A 2 24.188 8.195 21.940 1.00 0.00 C ATOM 14 NE ARG A 2 23.891 6.795 22.355 1.00 0.00 N ATOM 15 CZ ARG A 2 24.751 5.845 22.107 1.00 0.00 C ATOM 16 NH1 ARG A 2 24.967 5.467 20.877 1.00 0.00 N ATOM 17 NH2 ARG A 2 25.393 5.273 23.089 1.00 0.00 N ATOM 0 H ARG A 2 21.144 11.990 21.052 1.00 0.00 H new ATOM 0 HA ARG A 2 23.674 10.443 20.574 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.253 9.964 22.234 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.683 8.609 21.209 1.00 0.00 H new ATOM 0 HG2 ARG A 2 23.740 10.053 22.950 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.816 8.684 23.537 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.098 8.292 20.858 1.00 0.00 H new ATOM 0 HD3 ARG A 2 25.215 8.452 22.199 1.00 0.00 H new ATOM 0 HE ARG A 2 23.016 6.579 22.833 1.00 0.00 H new ATOM 0 HH11 ARG A 2 24.464 5.914 20.110 1.00 0.00 H new ATOM 0 HH12 ARG A 2 25.639 4.725 20.682 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.223 5.568 24.050 1.00 0.00 H new ATOM 0 HH22 ARG A 2 26.065 4.531 22.895 1.00 0.00 H new ATOM 31 N TYR A 3 20.816 10.511 18.941 1.00 0.00 N ATOM 32 CA TYR A 3 20.195 10.176 17.627 1.00 0.00 C ATOM 33 C TYR A 3 20.168 8.650 17.428 1.00 0.00 C ATOM 34 O TYR A 3 21.125 8.083 16.939 1.00 0.00 O ATOM 35 CB TYR A 3 21.014 10.822 16.516 1.00 0.00 C ATOM 36 CG TYR A 3 20.793 12.314 16.533 1.00 0.00 C ATOM 37 CD1 TYR A 3 19.509 12.835 16.335 1.00 0.00 C ATOM 38 CD2 TYR A 3 21.873 13.177 16.749 1.00 0.00 C ATOM 39 CE1 TYR A 3 19.306 14.220 16.351 1.00 0.00 C ATOM 40 CE2 TYR A 3 21.670 14.562 16.766 1.00 0.00 C ATOM 41 CZ TYR A 3 20.387 15.083 16.567 1.00 0.00 C ATOM 42 OH TYR A 3 20.187 16.448 16.583 1.00 0.00 O ATOM 0 H TYR A 3 20.234 11.078 19.557 1.00 0.00 H new ATOM 0 HA TYR A 3 19.172 10.551 17.602 1.00 0.00 H new ATOM 0 HB2 TYR A 3 22.072 10.598 16.652 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.723 10.411 15.549 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.675 12.169 16.170 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.863 12.775 16.903 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.316 14.623 16.197 1.00 0.00 H new ATOM 0 HE2 TYR A 3 22.504 15.228 16.933 1.00 0.00 H new ATOM 0 HH TYR A 3 21.040 16.902 16.746 1.00 0.00 H new ATOM 52 N PRO A 4 19.075 8.026 17.816 1.00 0.00 N ATOM 53 CA PRO A 4 18.840 6.549 17.719 1.00 0.00 C ATOM 54 C PRO A 4 18.273 6.180 16.342 1.00 0.00 C ATOM 55 O PRO A 4 18.989 5.711 15.477 1.00 0.00 O ATOM 56 CB PRO A 4 17.843 6.224 18.826 1.00 0.00 C ATOM 57 CG PRO A 4 17.087 7.505 19.120 1.00 0.00 C ATOM 58 CD PRO A 4 17.840 8.643 18.429 1.00 0.00 C ATOM 0 HA PRO A 4 19.764 5.982 17.833 1.00 0.00 H new ATOM 0 HB2 PRO A 4 17.160 5.435 18.512 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.358 5.865 19.717 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.063 7.441 18.751 1.00 0.00 H new ATOM 0 HG3 PRO A 4 17.028 7.679 20.194 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.220 9.112 17.665 1.00 0.00 H new ATOM 0 HD3 PRO A 4 18.108 9.421 19.143 1.00 0.00 H new ATOM 66 N TYR A 5 16.997 6.382 16.136 1.00 0.00 N ATOM 67 CA TYR A 5 16.379 6.039 14.822 1.00 0.00 C ATOM 68 C TYR A 5 16.897 6.986 13.733 1.00 0.00 C ATOM 69 O TYR A 5 16.900 6.650 12.563 1.00 0.00 O ATOM 70 CB TYR A 5 14.859 6.170 14.924 1.00 0.00 C ATOM 71 CG TYR A 5 14.223 5.605 13.676 1.00 0.00 C ATOM 72 CD1 TYR A 5 14.486 4.284 13.296 1.00 0.00 C ATOM 73 CD2 TYR A 5 13.374 6.403 12.898 1.00 0.00 C ATOM 74 CE1 TYR A 5 13.901 3.759 12.138 1.00 0.00 C ATOM 75 CE2 TYR A 5 12.788 5.877 11.740 1.00 0.00 C ATOM 76 CZ TYR A 5 13.051 4.556 11.360 1.00 0.00 C ATOM 77 OH TYR A 5 12.474 4.038 10.218 1.00 0.00 O ATOM 0 H TYR A 5 16.354 6.772 16.825 1.00 0.00 H new ATOM 0 HA TYR A 5 16.645 5.014 14.562 1.00 0.00 H new ATOM 0 HB2 TYR A 5 14.495 5.639 15.804 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.580 7.217 15.046 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.140 3.670 13.896 1.00 0.00 H new ATOM 0 HD2 TYR A 5 13.172 7.423 13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.105 2.740 11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.133 6.491 11.140 1.00 0.00 H new ATOM 0 HH TYR A 5 11.912 4.721 9.797 1.00 0.00 H new ATOM 87 N TYR A 6 17.322 8.167 14.105 1.00 0.00 N ATOM 88 CA TYR A 6 17.827 9.143 13.092 1.00 0.00 C ATOM 89 C TYR A 6 19.042 8.568 12.359 1.00 0.00 C ATOM 90 O TYR A 6 19.152 8.671 11.151 1.00 0.00 O ATOM 91 CB TYR A 6 18.225 10.443 13.795 1.00 0.00 C ATOM 92 CG TYR A 6 18.244 11.575 12.794 1.00 0.00 C ATOM 93 CD1 TYR A 6 17.105 11.854 12.029 1.00 0.00 C ATOM 94 CD2 TYR A 6 19.402 12.345 12.631 1.00 0.00 C ATOM 95 CE1 TYR A 6 17.124 12.903 11.101 1.00 0.00 C ATOM 96 CE2 TYR A 6 19.421 13.394 11.703 1.00 0.00 C ATOM 97 CZ TYR A 6 18.282 13.673 10.938 1.00 0.00 C ATOM 98 OH TYR A 6 18.302 14.706 10.022 1.00 0.00 O ATOM 0 H TYR A 6 17.341 8.498 15.070 1.00 0.00 H new ATOM 0 HA TYR A 6 17.038 9.341 12.366 1.00 0.00 H new ATOM 0 HB2 TYR A 6 17.521 10.665 14.597 1.00 0.00 H new ATOM 0 HB3 TYR A 6 19.207 10.334 14.254 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.212 11.260 12.154 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.281 12.130 13.221 1.00 0.00 H new ATOM 0 HE1 TYR A 6 16.245 13.118 10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 6 20.314 13.988 11.578 1.00 0.00 H new ATOM 0 HH TYR A 6 19.181 15.139 10.036 1.00 0.00 H new ATOM 108 N LEU A 7 19.957 7.974 13.080 1.00 0.00 N ATOM 109 CA LEU A 7 21.176 7.401 12.433 1.00 0.00 C ATOM 110 C LEU A 7 20.901 5.967 11.960 1.00 0.00 C ATOM 111 O LEU A 7 21.561 5.467 11.066 1.00 0.00 O ATOM 112 CB LEU A 7 22.335 7.400 13.442 1.00 0.00 C ATOM 113 CG LEU A 7 23.587 7.993 12.792 1.00 0.00 C ATOM 114 CD1 LEU A 7 23.602 9.508 13.006 1.00 0.00 C ATOM 115 CD2 LEU A 7 24.835 7.378 13.429 1.00 0.00 C ATOM 0 H LEU A 7 19.913 7.860 14.093 1.00 0.00 H new ATOM 0 HA LEU A 7 21.442 8.011 11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 22.062 7.980 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.536 6.383 13.779 1.00 0.00 H new ATOM 0 HG LEU A 7 23.579 7.775 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 7 24.493 9.932 12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 7 22.714 9.948 12.553 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.610 9.725 14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 7 25.726 7.801 12.965 1.00 0.00 H new ATOM 0 HD22 LEU A 7 24.843 7.596 14.497 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.826 6.298 13.279 1.00 0.00 H new ATOM 127 N SER A 8 19.937 5.301 12.549 1.00 0.00 N ATOM 128 CA SER A 8 19.625 3.900 12.130 1.00 0.00 C ATOM 129 C SER A 8 19.231 3.880 10.650 1.00 0.00 C ATOM 130 O SER A 8 19.432 2.898 9.960 1.00 0.00 O ATOM 131 CB SER A 8 18.471 3.358 12.973 1.00 0.00 C ATOM 132 OG SER A 8 18.989 2.796 14.172 1.00 0.00 O ATOM 0 H SER A 8 19.354 5.668 13.301 1.00 0.00 H new ATOM 0 HA SER A 8 20.506 3.276 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.769 4.158 13.207 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.919 2.603 12.413 1.00 0.00 H new ATOM 0 HG SER A 8 19.115 3.504 14.837 1.00 0.00 H new ATOM 138 N ASP A 9 18.679 4.962 10.158 1.00 0.00 N ATOM 139 CA ASP A 9 18.277 5.015 8.722 1.00 0.00 C ATOM 140 C ASP A 9 19.523 4.891 7.845 1.00 0.00 C ATOM 141 O ASP A 9 19.499 4.255 6.808 1.00 0.00 O ATOM 142 CB ASP A 9 17.584 6.349 8.431 1.00 0.00 C ATOM 143 CG ASP A 9 16.870 6.266 7.080 1.00 0.00 C ATOM 144 OD1 ASP A 9 16.200 5.274 6.847 1.00 0.00 O ATOM 145 OD2 ASP A 9 17.006 7.196 6.302 1.00 0.00 O ATOM 0 H ASP A 9 18.490 5.811 10.691 1.00 0.00 H new ATOM 0 HA ASP A 9 17.591 4.196 8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.868 6.579 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.316 7.157 8.419 1.00 0.00 H new ATOM 150 N ILE A 10 20.609 5.494 8.257 1.00 0.00 N ATOM 151 CA ILE A 10 21.864 5.419 7.453 1.00 0.00 C ATOM 152 C ILE A 10 22.368 3.974 7.437 1.00 0.00 C ATOM 153 O ILE A 10 22.886 3.503 6.443 1.00 0.00 O ATOM 154 CB ILE A 10 22.929 6.332 8.070 1.00 0.00 C ATOM 155 CG1 ILE A 10 22.376 7.757 8.185 1.00 0.00 C ATOM 156 CG2 ILE A 10 24.174 6.345 7.176 1.00 0.00 C ATOM 157 CD1 ILE A 10 23.379 8.644 8.928 1.00 0.00 C ATOM 0 H ILE A 10 20.680 6.036 9.118 1.00 0.00 H new ATOM 0 HA ILE A 10 21.663 5.746 6.433 1.00 0.00 H new ATOM 0 HB ILE A 10 23.194 5.960 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 10 22.183 8.163 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.424 7.746 8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 24.931 6.995 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 10 24.570 5.333 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.908 6.716 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.981 9.656 9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 10 23.550 8.242 9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.321 8.666 8.380 1.00 0.00 H new ATOM 169 N THR A 11 22.212 3.266 8.530 1.00 0.00 N ATOM 170 CA THR A 11 22.674 1.845 8.580 1.00 0.00 C ATOM 171 C THR A 11 21.906 1.031 7.537 1.00 0.00 C ATOM 172 O THR A 11 22.455 0.156 6.893 1.00 0.00 O ATOM 173 CB THR A 11 22.414 1.270 9.976 1.00 0.00 C ATOM 174 OG1 THR A 11 22.616 2.286 10.948 1.00 0.00 O ATOM 175 CG2 THR A 11 23.372 0.105 10.250 1.00 0.00 C ATOM 0 H THR A 11 21.785 3.612 9.389 1.00 0.00 H new ATOM 0 HA THR A 11 23.742 1.798 8.367 1.00 0.00 H new ATOM 0 HB THR A 11 21.387 0.908 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.449 1.921 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.180 -0.298 11.245 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.217 -0.676 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.401 0.460 10.195 1.00 0.00 H new ATOM 183 N ASP A 12 20.642 1.323 7.360 1.00 0.00 N ATOM 184 CA ASP A 12 19.833 0.583 6.352 1.00 0.00 C ATOM 185 C ASP A 12 20.390 0.878 4.959 1.00 0.00 C ATOM 186 O ASP A 12 20.351 0.043 4.075 1.00 0.00 O ATOM 187 CB ASP A 12 18.376 1.040 6.432 1.00 0.00 C ATOM 188 CG ASP A 12 17.615 0.155 7.422 1.00 0.00 C ATOM 189 OD1 ASP A 12 18.136 -0.075 8.501 1.00 0.00 O ATOM 190 OD2 ASP A 12 16.526 -0.277 7.084 1.00 0.00 O ATOM 0 H ASP A 12 20.137 2.045 7.873 1.00 0.00 H new ATOM 0 HA ASP A 12 19.882 -0.488 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.328 2.082 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.912 0.984 5.447 1.00 0.00 H new ATOM 195 N VAL A 13 20.916 2.061 4.764 1.00 0.00 N ATOM 196 CA VAL A 13 21.488 2.424 3.436 1.00 0.00 C ATOM 197 C VAL A 13 22.807 1.673 3.234 1.00 0.00 C ATOM 198 O VAL A 13 23.174 1.344 2.122 1.00 0.00 O ATOM 199 CB VAL A 13 21.737 3.931 3.381 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.238 4.325 1.989 1.00 0.00 C ATOM 201 CG2 VAL A 13 20.430 4.670 3.676 1.00 0.00 C ATOM 0 H VAL A 13 20.973 2.793 5.472 1.00 0.00 H new ATOM 0 HA VAL A 13 20.788 2.149 2.647 1.00 0.00 H new ATOM 0 HB VAL A 13 22.489 4.199 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.414 5.400 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.168 3.799 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 13 21.489 4.057 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.603 5.745 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.682 4.396 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.073 4.395 4.668 1.00 0.00 H new ATOM 211 N ILE A 14 23.516 1.392 4.301 1.00 0.00 N ATOM 212 CA ILE A 14 24.806 0.651 4.171 1.00 0.00 C ATOM 213 C ILE A 14 24.510 -0.762 3.658 1.00 0.00 C ATOM 214 O ILE A 14 25.289 -1.338 2.921 1.00 0.00 O ATOM 215 CB ILE A 14 25.507 0.590 5.538 1.00 0.00 C ATOM 216 CG1 ILE A 14 25.797 2.018 6.016 1.00 0.00 C ATOM 217 CG2 ILE A 14 26.829 -0.187 5.421 1.00 0.00 C ATOM 218 CD1 ILE A 14 26.397 1.987 7.426 1.00 0.00 C ATOM 0 H ILE A 14 23.256 1.644 5.254 1.00 0.00 H new ATOM 0 HA ILE A 14 25.465 1.161 3.468 1.00 0.00 H new ATOM 0 HB ILE A 14 24.859 0.081 6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.487 2.507 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.878 2.604 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 14 27.317 -0.224 6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 14 26.626 -1.202 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 14 27.483 0.313 4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 14 26.600 3.005 7.758 1.00 0.00 H new ATOM 0 HD12 ILE A 14 25.692 1.516 8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.326 1.418 7.413 1.00 0.00 H new ATOM 230 N PHE A 15 23.383 -1.314 4.032 1.00 0.00 N ATOM 231 CA PHE A 15 23.021 -2.682 3.559 1.00 0.00 C ATOM 232 C PHE A 15 22.821 -2.638 2.043 1.00 0.00 C ATOM 233 O PHE A 15 23.445 -3.373 1.301 1.00 0.00 O ATOM 234 CB PHE A 15 21.725 -3.130 4.240 1.00 0.00 C ATOM 235 CG PHE A 15 21.437 -4.573 3.899 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.418 -5.553 4.098 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.184 -4.933 3.385 1.00 0.00 C ATOM 238 CE1 PHE A 15 22.147 -6.890 3.786 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.913 -6.271 3.073 1.00 0.00 C ATOM 240 CZ PHE A 15 20.895 -7.249 3.273 1.00 0.00 C ATOM 0 H PHE A 15 22.698 -0.874 4.646 1.00 0.00 H new ATOM 0 HA PHE A 15 23.814 -3.387 3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.812 -3.013 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 15 20.897 -2.499 3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.385 -5.276 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.427 -4.178 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 15 22.904 -7.645 3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.947 -6.549 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.686 -8.281 3.031 1.00 0.00 H new ATOM 250 N ILE A 16 21.963 -1.764 1.582 1.00 0.00 N ATOM 251 CA ILE A 16 21.721 -1.641 0.116 1.00 0.00 C ATOM 252 C ILE A 16 23.022 -1.209 -0.581 1.00 0.00 C ATOM 253 O ILE A 16 23.167 -1.375 -1.777 1.00 0.00 O ATOM 254 CB ILE A 16 20.615 -0.597 -0.120 1.00 0.00 C ATOM 255 CG1 ILE A 16 19.302 -1.086 0.517 1.00 0.00 C ATOM 256 CG2 ILE A 16 20.403 -0.364 -1.623 1.00 0.00 C ATOM 257 CD1 ILE A 16 18.851 -2.411 -0.118 1.00 0.00 C ATOM 0 H ILE A 16 21.417 -1.127 2.163 1.00 0.00 H new ATOM 0 HA ILE A 16 21.404 -2.599 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 16 20.919 0.344 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 16 19.440 -1.220 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 16 18.526 -0.332 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.617 0.377 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 16 21.330 -0.003 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 16 20.111 -1.300 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.921 -2.739 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 16 18.692 -2.267 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.620 -3.168 0.035 1.00 0.00 H new ATOM 269 N TYR A 17 23.970 -0.662 0.150 1.00 0.00 N ATOM 270 CA TYR A 17 25.249 -0.235 -0.488 1.00 0.00 C ATOM 271 C TYR A 17 26.003 -1.474 -0.966 1.00 0.00 C ATOM 272 O TYR A 17 26.552 -1.493 -2.050 1.00 0.00 O ATOM 273 CB TYR A 17 26.110 0.534 0.521 1.00 0.00 C ATOM 274 CG TYR A 17 26.843 1.647 -0.194 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.130 2.742 -0.696 1.00 0.00 C ATOM 276 CD2 TYR A 17 28.231 1.580 -0.360 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.805 3.770 -1.365 1.00 0.00 C ATOM 278 CE2 TYR A 17 28.907 2.610 -1.027 1.00 0.00 C ATOM 279 CZ TYR A 17 28.194 3.704 -1.531 1.00 0.00 C ATOM 280 OH TYR A 17 28.862 4.716 -2.193 1.00 0.00 O ATOM 0 H TYR A 17 23.909 -0.496 1.155 1.00 0.00 H new ATOM 0 HA TYR A 17 25.032 0.417 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.483 0.945 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.823 -0.140 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 17 25.059 2.794 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.781 0.734 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 17 26.254 4.614 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.979 2.560 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 17 29.820 4.513 -2.219 1.00 0.00 H new ATOM 290 N PHE A 18 26.024 -2.513 -0.169 1.00 0.00 N ATOM 291 CA PHE A 18 26.731 -3.760 -0.582 1.00 0.00 C ATOM 292 C PHE A 18 25.965 -4.404 -1.740 1.00 0.00 C ATOM 293 O PHE A 18 26.540 -5.040 -2.603 1.00 0.00 O ATOM 294 CB PHE A 18 26.793 -4.729 0.601 1.00 0.00 C ATOM 295 CG PHE A 18 28.065 -4.486 1.376 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.165 -3.379 2.227 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.146 -5.366 1.241 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.347 -3.151 2.943 1.00 0.00 C ATOM 299 CE2 PHE A 18 30.327 -5.138 1.956 1.00 0.00 C ATOM 300 CZ PHE A 18 30.428 -4.030 2.808 1.00 0.00 C ATOM 0 H PHE A 18 25.582 -2.550 0.749 1.00 0.00 H new ATOM 0 HA PHE A 18 27.746 -3.523 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.927 -4.588 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 18 26.761 -5.759 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.331 -2.701 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.068 -6.221 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.424 -2.297 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.161 -5.816 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 18 31.339 -3.854 3.360 1.00 0.00 H new ATOM 310 N ALA A 19 24.668 -4.228 -1.766 1.00 0.00 N ATOM 311 CA ALA A 19 23.838 -4.807 -2.863 1.00 0.00 C ATOM 312 C ALA A 19 24.295 -4.234 -4.207 1.00 0.00 C ATOM 313 O ALA A 19 24.573 -4.954 -5.146 1.00 0.00 O ATOM 314 CB ALA A 19 22.378 -4.423 -2.628 1.00 0.00 C ATOM 0 H ALA A 19 24.145 -3.702 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 19 23.946 -5.892 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.760 -4.840 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.048 -4.818 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.283 -3.337 -2.626 1.00 0.00 H new ATOM 320 N ALA A 20 24.365 -2.935 -4.291 1.00 0.00 N ATOM 321 CA ALA A 20 24.798 -2.265 -5.555 1.00 0.00 C ATOM 322 C ALA A 20 26.217 -2.696 -5.919 1.00 0.00 C ATOM 323 O ALA A 20 26.505 -3.038 -7.047 1.00 0.00 O ATOM 324 CB ALA A 20 24.793 -0.756 -5.336 1.00 0.00 C ATOM 0 H ALA A 20 24.138 -2.298 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 20 24.117 -2.543 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 20 25.107 -0.254 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.787 -0.430 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 25.481 -0.503 -4.529 1.00 0.00 H new ATOM 330 N LEU A 21 27.099 -2.652 -4.964 1.00 0.00 N ATOM 331 CA LEU A 21 28.527 -3.032 -5.207 1.00 0.00 C ATOM 332 C LEU A 21 28.690 -4.563 -5.278 1.00 0.00 C ATOM 333 O LEU A 21 29.769 -5.053 -5.517 1.00 0.00 O ATOM 334 CB LEU A 21 29.378 -2.489 -4.054 1.00 0.00 C ATOM 335 CG LEU A 21 30.595 -1.736 -4.606 1.00 0.00 C ATOM 336 CD1 LEU A 21 30.897 -0.526 -3.721 1.00 0.00 C ATOM 337 CD2 LEU A 21 31.809 -2.667 -4.619 1.00 0.00 C ATOM 0 H LEU A 21 26.893 -2.365 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 21 28.848 -2.610 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 21 28.780 -1.823 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 21 29.707 -3.310 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 21 30.380 -1.400 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 21 31.762 0.007 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 30.035 0.141 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.110 -0.862 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.674 -2.132 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.020 -3.004 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.599 -3.530 -5.251 1.00 0.00 H new ATOM 349 N SER A 22 27.634 -5.311 -5.061 1.00 0.00 N ATOM 350 CA SER A 22 27.706 -6.819 -5.097 1.00 0.00 C ATOM 351 C SER A 22 28.596 -7.357 -6.246 1.00 0.00 C ATOM 352 O SER A 22 29.461 -8.174 -6.000 1.00 0.00 O ATOM 353 CB SER A 22 26.295 -7.384 -5.261 1.00 0.00 C ATOM 354 OG SER A 22 25.671 -7.465 -3.987 1.00 0.00 O ATOM 0 H SER A 22 26.706 -4.939 -4.856 1.00 0.00 H new ATOM 0 HA SER A 22 28.157 -7.140 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 25.711 -6.747 -5.925 1.00 0.00 H new ATOM 0 HB3 SER A 22 26.337 -8.371 -5.722 1.00 0.00 H new ATOM 0 HG SER A 22 25.928 -6.689 -3.447 1.00 0.00 H new ATOM 360 N PRO A 23 28.369 -6.908 -7.463 1.00 0.00 N ATOM 361 CA PRO A 23 29.137 -7.336 -8.692 1.00 0.00 C ATOM 362 C PRO A 23 30.554 -6.780 -8.651 1.00 0.00 C ATOM 363 O PRO A 23 31.525 -7.506 -8.719 1.00 0.00 O ATOM 364 CB PRO A 23 28.384 -6.769 -9.882 1.00 0.00 C ATOM 365 CG PRO A 23 27.580 -5.606 -9.363 1.00 0.00 C ATOM 366 CD PRO A 23 27.334 -5.887 -7.886 1.00 0.00 C ATOM 0 HA PRO A 23 29.215 -8.422 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 23 29.075 -6.446 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.734 -7.523 -10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 23 28.120 -4.669 -9.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 26.638 -5.511 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 23 27.426 -4.974 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.325 -6.268 -7.727 1.00 0.00 H new ATOM 374 N ALA A 24 30.666 -5.490 -8.541 1.00 0.00 N ATOM 375 CA ALA A 24 32.012 -4.823 -8.490 1.00 0.00 C ATOM 376 C ALA A 24 32.945 -5.534 -7.490 1.00 0.00 C ATOM 377 O ALA A 24 34.153 -5.498 -7.627 1.00 0.00 O ATOM 378 CB ALA A 24 31.827 -3.370 -8.053 1.00 0.00 C ATOM 0 H ALA A 24 29.874 -4.850 -8.483 1.00 0.00 H new ATOM 0 HA ALA A 24 32.464 -4.873 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 32.798 -2.876 -8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 24 31.187 -2.854 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 31.365 -3.343 -7.066 1.00 0.00 H new ATOM 384 N ILE A 25 32.389 -6.177 -6.493 1.00 0.00 N ATOM 385 CA ILE A 25 33.231 -6.892 -5.486 1.00 0.00 C ATOM 386 C ILE A 25 33.727 -8.213 -6.090 1.00 0.00 C ATOM 387 O ILE A 25 34.886 -8.562 -5.968 1.00 0.00 O ATOM 388 CB ILE A 25 32.399 -7.171 -4.224 1.00 0.00 C ATOM 389 CG1 ILE A 25 31.897 -5.846 -3.642 1.00 0.00 C ATOM 390 CG2 ILE A 25 33.256 -7.889 -3.172 1.00 0.00 C ATOM 391 CD1 ILE A 25 30.615 -6.094 -2.845 1.00 0.00 C ATOM 0 H ILE A 25 31.383 -6.237 -6.333 1.00 0.00 H new ATOM 0 HA ILE A 25 34.087 -6.274 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 25 31.554 -7.805 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.659 -5.407 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 25 31.707 -5.133 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 25 32.655 -8.081 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.615 -8.834 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.107 -7.262 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 25 30.257 -5.152 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 25 29.854 -6.514 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 25 30.820 -6.793 -2.034 1.00 0.00 H new ATOM 403 N THR A 26 32.857 -8.947 -6.742 1.00 0.00 N ATOM 404 CA THR A 26 33.274 -10.243 -7.358 1.00 0.00 C ATOM 405 C THR A 26 34.180 -9.957 -8.557 1.00 0.00 C ATOM 406 O THR A 26 35.367 -10.225 -8.527 1.00 0.00 O ATOM 407 CB THR A 26 32.032 -11.013 -7.820 1.00 0.00 C ATOM 408 OG1 THR A 26 31.141 -11.168 -6.725 1.00 0.00 O ATOM 409 CG2 THR A 26 32.445 -12.391 -8.343 1.00 0.00 C ATOM 0 H THR A 26 31.875 -8.703 -6.873 1.00 0.00 H new ATOM 0 HA THR A 26 33.815 -10.843 -6.626 1.00 0.00 H new ATOM 0 HB THR A 26 31.537 -10.459 -8.618 1.00 0.00 H new ATOM 0 HG1 THR A 26 30.345 -11.659 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 26 31.560 -12.936 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 26 33.129 -12.271 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.941 -12.948 -7.548 1.00 0.00 H new ATOM 417 N PHE A 27 33.627 -9.408 -9.609 1.00 0.00 N ATOM 418 CA PHE A 27 34.444 -9.091 -10.813 1.00 0.00 C ATOM 419 C PHE A 27 35.024 -7.682 -10.676 1.00 0.00 C ATOM 420 O PHE A 27 34.345 -6.761 -10.261 1.00 0.00 O ATOM 421 CB PHE A 27 33.563 -9.159 -12.063 1.00 0.00 C ATOM 422 CG PHE A 27 34.431 -9.420 -13.270 1.00 0.00 C ATOM 423 CD1 PHE A 27 35.239 -8.400 -13.783 1.00 0.00 C ATOM 424 CD2 PHE A 27 34.430 -10.684 -13.872 1.00 0.00 C ATOM 425 CE1 PHE A 27 36.048 -8.642 -14.899 1.00 0.00 C ATOM 426 CE2 PHE A 27 35.239 -10.927 -14.988 1.00 0.00 C ATOM 427 CZ PHE A 27 36.048 -9.905 -15.502 1.00 0.00 C ATOM 0 H PHE A 27 32.639 -9.166 -9.683 1.00 0.00 H new ATOM 0 HA PHE A 27 35.255 -9.814 -10.902 1.00 0.00 H new ATOM 0 HB2 PHE A 27 32.821 -9.950 -11.956 1.00 0.00 H new ATOM 0 HB3 PHE A 27 33.017 -8.224 -12.189 1.00 0.00 H new ATOM 0 HD1 PHE A 27 35.239 -7.425 -13.318 1.00 0.00 H new ATOM 0 HD2 PHE A 27 33.805 -11.471 -13.476 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.672 -7.854 -15.295 1.00 0.00 H new ATOM 0 HE2 PHE A 27 35.240 -11.902 -15.453 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.672 -10.092 -16.364 1.00 0.00 H new ATOM 437 N GLY A 28 36.275 -7.509 -11.020 1.00 0.00 N ATOM 438 CA GLY A 28 36.908 -6.164 -10.913 1.00 0.00 C ATOM 439 C GLY A 28 36.929 -5.501 -12.291 1.00 0.00 C ATOM 440 O GLY A 28 37.883 -5.626 -13.035 1.00 0.00 O ATOM 0 H GLY A 28 36.886 -8.246 -11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 36.354 -5.544 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 28 37.923 -6.257 -10.527 1.00 0.00 H new ATOM 444 N GLY A 29 35.879 -4.797 -12.635 1.00 0.00 N ATOM 445 CA GLY A 29 35.824 -4.123 -13.963 1.00 0.00 C ATOM 446 C GLY A 29 36.238 -2.656 -13.818 1.00 0.00 C ATOM 447 O GLY A 29 35.784 -1.801 -14.554 1.00 0.00 O ATOM 0 H GLY A 29 35.056 -4.661 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 29 36.486 -4.629 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 29 34.816 -4.187 -14.372 1.00 0.00 H new ATOM 451 N LEU A 30 37.099 -2.362 -12.876 1.00 0.00 N ATOM 452 CA LEU A 30 37.550 -0.953 -12.676 1.00 0.00 C ATOM 453 C LEU A 30 38.456 -0.541 -13.838 1.00 0.00 C ATOM 454 O LEU A 30 38.470 0.604 -14.249 1.00 0.00 O ATOM 455 CB LEU A 30 38.321 -0.852 -11.348 1.00 0.00 C ATOM 456 CG LEU A 30 37.524 -0.028 -10.323 1.00 0.00 C ATOM 457 CD1 LEU A 30 37.301 1.389 -10.858 1.00 0.00 C ATOM 458 CD2 LEU A 30 36.168 -0.699 -10.051 1.00 0.00 C ATOM 0 H LEU A 30 37.510 -3.041 -12.235 1.00 0.00 H new ATOM 0 HA LEU A 30 36.687 -0.288 -12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 30 38.509 -1.850 -10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 30 39.293 -0.389 -11.519 1.00 0.00 H new ATOM 0 HG LEU A 30 38.089 0.024 -9.392 1.00 0.00 H new ATOM 0 HD11 LEU A 30 36.736 1.969 -10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 30 38.265 1.867 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 30 36.744 1.341 -11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 30 35.610 -0.109 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 35.601 -0.762 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 30 36.331 -1.702 -9.656 1.00 0.00 H new ATOM 470 N LEU A 31 39.210 -1.470 -14.368 1.00 0.00 N ATOM 471 CA LEU A 31 40.118 -1.144 -15.505 1.00 0.00 C ATOM 472 C LEU A 31 39.281 -0.778 -16.732 1.00 0.00 C ATOM 473 O LEU A 31 39.633 0.105 -17.491 1.00 0.00 O ATOM 474 CB LEU A 31 40.994 -2.360 -15.822 1.00 0.00 C ATOM 475 CG LEU A 31 42.373 -1.891 -16.323 1.00 0.00 C ATOM 476 CD1 LEU A 31 43.478 -2.549 -15.491 1.00 0.00 C ATOM 477 CD2 LEU A 31 42.550 -2.282 -17.793 1.00 0.00 C ATOM 0 H LEU A 31 39.235 -2.442 -14.060 1.00 0.00 H new ATOM 0 HA LEU A 31 40.755 -0.301 -15.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 41.111 -2.978 -14.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 40.513 -2.979 -16.579 1.00 0.00 H new ATOM 0 HG LEU A 31 42.437 -0.807 -16.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 44.451 -2.214 -15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 31 43.361 -2.269 -14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 43.409 -3.633 -15.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 43.527 -1.948 -18.143 1.00 0.00 H new ATOM 0 HD22 LEU A 31 42.479 -3.365 -17.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 41.770 -1.811 -18.391 1.00 0.00 H new ATOM 489 N GLY A 32 38.174 -1.448 -16.926 1.00 0.00 N ATOM 490 CA GLY A 32 37.304 -1.143 -18.100 1.00 0.00 C ATOM 491 C GLY A 32 37.353 -2.306 -19.091 1.00 0.00 C ATOM 492 O GLY A 32 38.130 -3.230 -18.937 1.00 0.00 O ATOM 0 H GLY A 32 37.835 -2.195 -16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 32 36.278 -0.975 -17.771 1.00 0.00 H new ATOM 0 HA3 GLY A 32 37.638 -0.225 -18.584 1.00 0.00 H new ATOM 496 N GLU A 33 36.528 -2.265 -20.107 1.00 0.00 N ATOM 497 CA GLU A 33 36.518 -3.365 -21.114 1.00 0.00 C ATOM 498 C GLU A 33 37.738 -3.226 -22.030 1.00 0.00 C ATOM 499 O GLU A 33 38.548 -4.128 -22.138 1.00 0.00 O ATOM 500 CB GLU A 33 35.229 -3.284 -21.946 1.00 0.00 C ATOM 501 CG GLU A 33 34.579 -4.668 -22.028 1.00 0.00 C ATOM 502 CD GLU A 33 33.613 -4.712 -23.213 1.00 0.00 C ATOM 503 OE1 GLU A 33 34.013 -4.309 -24.293 1.00 0.00 O ATOM 504 OE2 GLU A 33 32.490 -5.148 -23.021 1.00 0.00 O ATOM 0 H GLU A 33 35.860 -1.514 -20.281 1.00 0.00 H new ATOM 0 HA GLU A 33 36.557 -4.329 -20.606 1.00 0.00 H new ATOM 0 HB2 GLU A 33 34.537 -2.573 -21.494 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.454 -2.917 -22.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 35.345 -5.435 -22.142 1.00 0.00 H new ATOM 0 HG3 GLU A 33 34.046 -4.886 -21.103 1.00 0.00 H new ATOM 511 N LYS A 34 37.872 -2.102 -22.687 1.00 0.00 N ATOM 512 CA LYS A 34 39.033 -1.895 -23.596 1.00 0.00 C ATOM 513 C LYS A 34 39.448 -0.420 -23.561 1.00 0.00 C ATOM 514 O LYS A 34 40.398 -0.108 -22.863 1.00 0.00 O ATOM 515 CB LYS A 34 38.637 -2.293 -25.027 1.00 0.00 C ATOM 516 CG LYS A 34 39.687 -3.244 -25.612 1.00 0.00 C ATOM 517 CD LYS A 34 39.272 -4.694 -25.342 1.00 0.00 C ATOM 518 CE LYS A 34 40.078 -5.645 -26.235 1.00 0.00 C ATOM 519 NZ LYS A 34 39.147 -6.421 -27.102 1.00 0.00 N ATOM 520 OXT LYS A 34 38.808 0.370 -24.235 1.00 0.00 O ATOM 0 H LYS A 34 37.223 -1.317 -22.631 1.00 0.00 H new ATOM 0 HA LYS A 34 39.871 -2.512 -23.271 1.00 0.00 H new ATOM 0 HB2 LYS A 34 37.659 -2.775 -25.023 1.00 0.00 H new ATOM 0 HB3 LYS A 34 38.551 -1.403 -25.651 1.00 0.00 H new ATOM 0 HG2 LYS A 34 39.787 -3.077 -26.685 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.662 -3.045 -25.166 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.438 -4.939 -24.293 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.206 -4.818 -25.534 1.00 0.00 H new ATOM 0 HE2 LYS A 34 40.777 -5.078 -26.850 1.00 0.00 H new ATOM 0 HE3 LYS A 34 40.670 -6.323 -25.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.693 -7.066 -27.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 38.497 -6.973 -26.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.600 -5.767 -27.697 1.00 0.00 H new TER 534 LYS A 34