USER MOD reduce.3.24.130724 H: found=0, std=0, add=209, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 209 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -86:sc= 1.27 USER MOD Single : A 10 SER OG : rot 95:sc= 1.3 USER MOD Single : A 13 THR OG1 : rot -3:sc= 0.359! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc=-0.00832 (180deg=-0.0584) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0388) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00148 K(o=-0.0015,f=-1.2) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 34.269 13.784 15.598 1.00 10.00 C HETATM 2 O ACE A 1 34.485 14.874 15.064 1.00 10.00 O HETATM 3 CH3 ACE A 1 35.222 12.600 15.381 1.00 10.00 C HETATM 0 H1 ACE A 1 35.629 12.280 16.340 1.00 10.00 H new HETATM 0 H2 ACE A 1 34.678 11.774 14.923 1.00 10.00 H new HETATM 0 H3 ACE A 1 36.037 12.905 14.725 1.00 10.00 H new ATOM 7 N SER A 2 33.230 13.594 16.436 1.00 10.00 N ATOM 8 CA SER A 2 32.239 14.570 16.776 1.00 10.00 C ATOM 9 C SER A 2 32.773 15.902 17.310 1.00 10.00 C ATOM 10 O SER A 2 32.304 17.002 16.912 1.00 10.00 O ATOM 11 CB SER A 2 31.221 14.016 17.756 1.00 10.00 C ATOM 12 OG SER A 2 30.779 12.683 17.421 1.00 10.00 O ATOM 0 H SER A 2 33.074 12.702 16.905 1.00 10.00 H new ATOM 0 HA SER A 2 31.770 14.794 15.818 1.00 10.00 H new ATOM 0 HB2 SER A 2 31.655 14.008 18.756 1.00 10.00 H new ATOM 0 HB3 SER A 2 30.358 14.681 17.789 1.00 10.00 H new ATOM 0 HG SER A 2 30.127 12.378 18.086 1.00 10.00 H new ATOM 18 N ASP A 3 33.821 15.881 18.152 1.00 10.00 N ATOM 19 CA ASP A 3 34.384 17.010 18.856 1.00 10.00 C ATOM 20 C ASP A 3 35.312 17.886 17.951 1.00 10.00 C ATOM 21 O ASP A 3 35.523 19.051 18.300 1.00 10.00 O ATOM 22 CB ASP A 3 35.147 16.543 20.096 1.00 10.00 C ATOM 23 CG ASP A 3 34.992 17.519 21.325 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.036 18.356 21.329 1.00 10.00 O ATOM 25 OD2 ASP A 3 35.969 17.572 22.125 1.00 10.00 O ATOM 0 H ASP A 3 34.317 15.014 18.361 1.00 10.00 H new ATOM 0 HA ASP A 3 33.547 17.638 19.160 1.00 10.00 H new ATOM 0 HB2 ASP A 3 34.793 15.552 20.380 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.204 16.445 19.849 1.00 10.00 H new ATOM 30 N ALA A 4 35.798 17.395 16.788 1.00 10.00 N ATOM 31 CA ALA A 4 36.473 18.119 15.753 1.00 10.00 C ATOM 32 C ALA A 4 35.557 19.089 15.015 1.00 10.00 C ATOM 33 O ALA A 4 36.137 20.160 14.601 1.00 10.00 O ATOM 34 CB ALA A 4 37.257 17.120 14.868 1.00 10.00 C ATOM 0 H ALA A 4 35.708 16.405 16.558 1.00 10.00 H new ATOM 0 HA ALA A 4 37.212 18.792 16.188 1.00 10.00 H new ATOM 0 HB1 ALA A 4 37.774 17.663 14.077 1.00 10.00 H new ATOM 0 HB2 ALA A 4 37.986 16.587 15.479 1.00 10.00 H new ATOM 0 HB3 ALA A 4 36.564 16.405 14.424 1.00 10.00 H new ATOM 40 N ALA A 5 34.231 18.834 15.053 1.00 10.00 N ATOM 41 CA ALA A 5 33.254 19.820 14.674 1.00 10.00 C ATOM 42 C ALA A 5 32.884 20.799 15.848 1.00 10.00 C ATOM 43 O ALA A 5 31.988 21.609 15.714 1.00 10.00 O ATOM 44 CB ALA A 5 32.057 19.069 14.040 1.00 10.00 C ATOM 0 H ALA A 5 33.833 17.942 15.347 1.00 10.00 H new ATOM 0 HA ALA A 5 33.663 20.501 13.928 1.00 10.00 H new ATOM 0 HB1 ALA A 5 31.294 19.788 13.740 1.00 10.00 H new ATOM 0 HB2 ALA A 5 32.397 18.514 13.166 1.00 10.00 H new ATOM 0 HB3 ALA A 5 31.636 18.376 14.768 1.00 10.00 H new ATOM 50 N VAL A 6 33.513 20.785 17.063 1.00 10.00 N ATOM 51 CA VAL A 6 33.122 21.629 18.231 1.00 10.00 C ATOM 52 C VAL A 6 34.346 22.401 18.718 1.00 10.00 C ATOM 53 O VAL A 6 34.229 23.166 19.657 1.00 10.00 O ATOM 54 CB VAL A 6 32.438 20.788 19.300 1.00 10.00 C ATOM 55 CG1 VAL A 6 31.726 21.682 20.332 1.00 10.00 C ATOM 56 CG2 VAL A 6 31.304 19.926 18.658 1.00 10.00 C ATOM 0 H VAL A 6 34.312 20.182 17.258 1.00 10.00 H new ATOM 0 HA VAL A 6 32.378 22.371 17.942 1.00 10.00 H new ATOM 0 HB VAL A 6 33.213 20.178 19.765 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.245 21.057 21.085 1.00 10.00 H new ATOM 0 HG12 VAL A 6 32.455 22.334 20.813 1.00 10.00 H new ATOM 0 HG13 VAL A 6 30.973 22.289 19.830 1.00 10.00 H new ATOM 0 HG21 VAL A 6 30.820 19.328 19.430 1.00 10.00 H new ATOM 0 HG22 VAL A 6 30.568 20.581 18.193 1.00 10.00 H new ATOM 0 HG23 VAL A 6 31.732 19.267 17.903 1.00 10.00 H new ATOM 66 N ASP A 7 35.521 22.237 18.073 1.00 10.00 N ATOM 67 CA ASP A 7 36.873 22.782 18.420 1.00 10.00 C ATOM 68 C ASP A 7 37.456 22.201 19.701 1.00 10.00 C ATOM 69 O ASP A 7 37.880 22.839 20.688 1.00 10.00 O ATOM 70 CB ASP A 7 36.867 24.298 18.314 1.00 10.00 C ATOM 71 CG ASP A 7 38.223 24.922 18.084 1.00 10.00 C ATOM 72 OD1 ASP A 7 38.905 24.502 17.131 1.00 10.00 O ATOM 73 OD2 ASP A 7 38.628 25.939 18.702 1.00 10.00 O ATOM 0 H ASP A 7 35.564 21.674 17.223 1.00 10.00 H new ATOM 0 HA ASP A 7 37.592 22.435 17.678 1.00 10.00 H new ATOM 0 HB2 ASP A 7 36.206 24.589 17.498 1.00 10.00 H new ATOM 0 HB3 ASP A 7 36.443 24.711 19.230 1.00 10.00 H new ATOM 78 N THR A 8 37.448 20.863 19.768 1.00 10.00 N ATOM 79 CA THR A 8 37.716 20.017 20.920 1.00 10.00 C ATOM 80 C THR A 8 37.209 20.645 22.255 1.00 10.00 C ATOM 81 O THR A 8 38.004 21.116 23.098 1.00 10.00 O ATOM 82 CB THR A 8 39.234 19.661 21.040 1.00 10.00 C ATOM 83 OG1 THR A 8 39.676 19.157 19.794 1.00 10.00 O ATOM 84 CG2 THR A 8 39.565 18.545 22.049 1.00 10.00 C ATOM 0 H THR A 8 37.234 20.305 18.942 1.00 10.00 H new ATOM 0 HA THR A 8 37.155 19.098 20.750 1.00 10.00 H new ATOM 0 HB THR A 8 39.714 20.584 21.367 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.628 18.930 19.852 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.641 18.371 22.059 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.236 18.845 23.044 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.052 17.628 21.758 1.00 10.00 H new ATOM 92 N SER A 9 35.902 20.480 22.485 1.00 10.00 N ATOM 93 CA SER A 9 35.296 20.873 23.722 1.00 10.00 C ATOM 94 C SER A 9 35.846 20.010 24.870 1.00 10.00 C ATOM 95 O SER A 9 35.907 20.536 25.990 1.00 10.00 O ATOM 96 CB SER A 9 33.739 20.760 23.650 1.00 10.00 C ATOM 97 OG SER A 9 33.404 19.367 23.638 1.00 10.00 O ATOM 0 H SER A 9 35.254 20.071 21.812 1.00 10.00 H new ATOM 0 HA SER A 9 35.544 21.918 23.910 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.279 21.257 24.505 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.361 21.252 22.754 1.00 10.00 H new ATOM 0 HG SER A 9 33.427 19.033 22.717 1.00 10.00 H new ATOM 103 N SER A 10 36.542 18.868 24.611 1.00 10.00 N ATOM 104 CA SER A 10 37.098 18.004 25.630 1.00 10.00 C ATOM 105 C SER A 10 38.227 18.707 26.479 1.00 10.00 C ATOM 106 O SER A 10 38.665 18.181 27.527 1.00 10.00 O ATOM 107 CB SER A 10 37.600 16.697 24.850 1.00 10.00 C ATOM 108 OG SER A 10 36.525 16.195 24.214 1.00 10.00 O ATOM 0 H SER A 10 36.722 18.538 23.663 1.00 10.00 H new ATOM 0 HA SER A 10 36.355 17.742 26.383 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.389 16.948 24.140 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.016 15.967 25.544 1.00 10.00 H new ATOM 0 HG SER A 10 36.507 16.525 23.291 1.00 10.00 H new ATOM 114 N GLU A 11 38.734 19.836 25.989 1.00 10.00 N ATOM 115 CA GLU A 11 39.679 20.678 26.806 1.00 10.00 C ATOM 116 C GLU A 11 39.013 21.593 27.869 1.00 10.00 C ATOM 117 O GLU A 11 39.367 21.581 29.047 1.00 10.00 O ATOM 118 CB GLU A 11 40.675 21.487 26.004 1.00 10.00 C ATOM 119 CG GLU A 11 41.744 20.660 25.346 1.00 10.00 C ATOM 120 CD GLU A 11 43.010 21.477 25.179 1.00 10.00 C ATOM 121 OE1 GLU A 11 42.965 22.323 24.264 1.00 10.00 O ATOM 122 OE2 GLU A 11 44.071 21.317 25.743 1.00 10.00 O ATOM 0 H GLU A 11 38.529 20.203 25.059 1.00 10.00 H new ATOM 0 HA GLU A 11 40.226 19.901 27.339 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.140 22.047 25.237 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.147 22.217 26.661 1.00 10.00 H new ATOM 0 HG2 GLU A 11 41.951 19.775 25.947 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.397 20.311 24.373 1.00 10.00 H new ATOM 129 N ILE A 12 38.005 22.349 27.443 1.00 10.00 N ATOM 130 CA ILE A 12 37.348 23.304 28.235 1.00 10.00 C ATOM 131 C ILE A 12 36.206 22.733 29.048 1.00 10.00 C ATOM 132 O ILE A 12 35.689 23.500 29.854 1.00 10.00 O ATOM 133 CB ILE A 12 36.914 24.527 27.378 1.00 10.00 C ATOM 134 CG1 ILE A 12 35.957 24.087 26.275 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.126 25.310 26.832 1.00 10.00 C ATOM 136 CD1 ILE A 12 35.159 25.259 25.710 1.00 10.00 C ATOM 0 H ILE A 12 37.632 22.287 26.496 1.00 10.00 H new ATOM 0 HA ILE A 12 38.071 23.650 28.974 1.00 10.00 H new ATOM 0 HB ILE A 12 36.378 25.223 28.023 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.522 23.613 25.473 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.271 23.337 26.668 1.00 10.00 H new ATOM 0 HG21 ILE A 12 37.776 26.155 26.240 1.00 10.00 H new ATOM 0 HG22 ILE A 12 38.728 25.675 27.664 1.00 10.00 H new ATOM 0 HG23 ILE A 12 38.731 24.654 26.206 1.00 10.00 H new ATOM 0 HD11 ILE A 12 34.490 24.900 24.927 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.573 25.718 26.506 1.00 10.00 H new ATOM 0 HD13 ILE A 12 35.843 25.997 25.292 1.00 10.00 H new ATOM 148 N THR A 13 35.634 21.557 28.726 1.00 10.00 N ATOM 149 CA THR A 13 34.441 20.998 29.306 1.00 10.00 C ATOM 150 C THR A 13 34.133 21.209 30.753 1.00 10.00 C ATOM 151 O THR A 13 32.924 21.152 31.069 1.00 10.00 O ATOM 152 CB THR A 13 34.286 19.522 28.864 1.00 10.00 C ATOM 153 OG1 THR A 13 33.230 18.936 29.496 1.00 10.00 O ATOM 154 CG2 THR A 13 35.570 18.817 29.154 1.00 10.00 C ATOM 0 H THR A 13 36.032 20.951 28.009 1.00 10.00 H new ATOM 0 HA THR A 13 33.659 21.632 28.887 1.00 10.00 H new ATOM 0 HB THR A 13 34.076 19.464 27.796 1.00 10.00 H new ATOM 0 HG1 THR A 13 32.838 19.569 30.133 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.488 17.773 28.852 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.379 19.293 28.600 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.781 18.870 30.222 1.00 10.00 H new ATOM 162 N THR A 14 35.108 21.320 31.584 1.00 10.00 N ATOM 163 CA THR A 14 34.856 21.536 33.037 1.00 10.00 C ATOM 164 C THR A 14 34.225 22.911 33.245 1.00 10.00 C ATOM 165 O THR A 14 33.284 23.018 34.026 1.00 10.00 O ATOM 166 CB THR A 14 36.185 21.345 33.901 1.00 10.00 C ATOM 167 OG1 THR A 14 36.925 20.218 33.594 1.00 10.00 O ATOM 168 CG2 THR A 14 35.766 21.246 35.345 1.00 10.00 C ATOM 0 H THR A 14 36.093 21.271 31.324 1.00 10.00 H new ATOM 0 HA THR A 14 34.156 20.779 33.391 1.00 10.00 H new ATOM 0 HB THR A 14 36.829 22.197 33.683 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.719 20.182 34.168 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.648 21.114 35.972 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.247 22.159 35.637 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.100 20.393 35.473 1.00 10.00 H new ATOM 176 N LYS A 15 34.624 23.858 32.449 1.00 10.00 N ATOM 177 CA LYS A 15 34.021 25.194 32.424 1.00 10.00 C ATOM 178 C LYS A 15 32.535 25.247 32.026 1.00 10.00 C ATOM 179 O LYS A 15 31.718 25.807 32.771 1.00 10.00 O ATOM 180 CB LYS A 15 34.852 26.197 31.649 1.00 10.00 C ATOM 181 CG LYS A 15 36.377 26.296 32.031 1.00 10.00 C ATOM 182 CD LYS A 15 37.109 27.395 31.284 1.00 10.00 C ATOM 183 CE LYS A 15 36.335 28.690 31.386 1.00 10.00 C ATOM 184 NZ LYS A 15 37.301 29.856 31.317 1.00 10.00 N ATOM 0 H LYS A 15 35.387 23.741 31.782 1.00 10.00 H new ATOM 0 HA LYS A 15 34.029 25.493 33.472 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.782 25.951 30.589 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.404 27.182 31.778 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.466 26.472 33.103 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.860 25.341 31.824 1.00 10.00 H new ATOM 0 HD2 LYS A 15 38.109 27.525 31.699 1.00 10.00 H new ATOM 0 HD3 LYS A 15 37.232 27.116 30.237 1.00 10.00 H new ATOM 0 HE2 LYS A 15 35.607 28.757 30.577 1.00 10.00 H new ATOM 0 HE3 LYS A 15 35.776 28.721 32.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 36.773 30.749 31.387 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 37.979 29.792 32.103 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 37.815 29.828 30.413 1.00 10.00 H new ATOM 198 N ASP A 16 32.256 24.393 31.039 1.00 10.00 N ATOM 199 CA ASP A 16 30.878 24.244 30.656 1.00 10.00 C ATOM 200 C ASP A 16 30.125 23.398 31.642 1.00 10.00 C ATOM 201 O ASP A 16 28.927 23.611 31.827 1.00 10.00 O ATOM 202 CB ASP A 16 30.947 23.608 29.276 1.00 10.00 C ATOM 203 CG ASP A 16 29.575 23.541 28.625 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.851 24.560 28.703 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.210 22.533 27.953 1.00 10.00 O ATOM 0 H ASP A 16 32.932 23.829 30.524 1.00 10.00 H new ATOM 0 HA ASP A 16 30.337 25.190 30.639 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.624 24.182 28.643 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.362 22.603 29.357 1.00 10.00 H new ATOM 210 N LEU A 17 30.811 22.515 32.411 1.00 10.00 N ATOM 211 CA LEU A 17 29.986 21.617 33.252 1.00 10.00 C ATOM 212 C LEU A 17 29.804 22.309 34.593 1.00 10.00 C ATOM 213 O LEU A 17 28.782 22.006 35.273 1.00 10.00 O ATOM 214 CB LEU A 17 30.771 20.306 33.451 1.00 10.00 C ATOM 215 CG LEU A 17 30.590 19.367 32.242 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.543 18.199 32.380 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.147 18.753 32.165 1.00 10.00 C ATOM 0 H LEU A 17 31.824 22.408 32.468 1.00 10.00 H new ATOM 0 HA LEU A 17 29.018 21.402 32.799 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.829 20.528 33.588 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.430 19.807 34.358 1.00 10.00 H new ATOM 0 HG LEU A 17 30.776 19.965 31.350 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.423 17.529 31.529 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.568 18.568 32.409 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.325 17.659 33.301 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.075 18.100 31.295 1.00 10.00 H new ATOM 0 HD22 LEU A 17 28.948 18.177 33.069 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.414 19.555 32.078 1.00 10.00 H new ATOM 229 N LYS A 18 30.689 23.285 34.940 1.00 10.00 N ATOM 230 CA LYS A 18 30.319 24.234 35.978 1.00 10.00 C ATOM 231 C LYS A 18 29.067 24.978 35.600 1.00 10.00 C ATOM 232 O LYS A 18 28.311 25.313 36.505 1.00 10.00 O ATOM 233 CB LYS A 18 31.443 25.195 36.374 1.00 10.00 C ATOM 234 CG LYS A 18 32.436 24.907 37.540 1.00 10.00 C ATOM 235 CD LYS A 18 33.508 23.906 37.181 1.00 10.00 C ATOM 236 CE LYS A 18 34.360 23.457 38.398 1.00 10.00 C ATOM 237 NZ LYS A 18 34.801 24.592 39.244 1.00 10.00 N ATOM 0 H LYS A 18 31.613 23.417 34.529 1.00 10.00 H new ATOM 0 HA LYS A 18 30.121 23.640 36.871 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.050 25.345 35.481 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.968 26.149 36.601 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.909 25.841 37.844 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.878 24.538 38.400 1.00 10.00 H new ATOM 0 HD2 LYS A 18 33.041 23.030 36.730 1.00 10.00 H new ATOM 0 HD3 LYS A 18 34.164 24.341 36.427 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.780 22.762 39.005 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.236 22.914 38.042 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.487 24.254 39.949 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.247 25.317 38.647 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 33.979 25.002 39.731 1.00 10.00 H new ATOM 251 N GLU A 19 28.879 25.277 34.291 1.00 10.00 N ATOM 252 CA GLU A 19 27.614 25.858 33.921 1.00 10.00 C ATOM 253 C GLU A 19 26.497 24.879 34.280 1.00 10.00 C ATOM 254 O GLU A 19 25.501 25.209 34.959 1.00 10.00 O ATOM 255 CB GLU A 19 27.628 26.137 32.457 1.00 10.00 C ATOM 256 CG GLU A 19 27.057 27.495 32.286 1.00 10.00 C ATOM 257 CD GLU A 19 26.912 28.024 30.790 1.00 10.00 C ATOM 258 OE1 GLU A 19 26.450 27.323 29.829 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.252 29.265 30.686 1.00 10.00 O ATOM 0 H GLU A 19 29.550 25.130 33.537 1.00 10.00 H new ATOM 0 HA GLU A 19 27.443 26.792 34.456 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.643 26.089 32.062 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.040 25.397 31.915 1.00 10.00 H new ATOM 0 HG2 GLU A 19 26.071 27.511 32.750 1.00 10.00 H new ATOM 0 HG3 GLU A 19 27.680 28.199 32.837 1.00 10.00 H new ATOM 266 N LYS A 20 26.630 23.622 33.725 1.00 10.00 N ATOM 267 CA LYS A 20 25.591 22.580 33.943 1.00 10.00 C ATOM 268 C LYS A 20 25.195 22.287 35.414 1.00 10.00 C ATOM 269 O LYS A 20 24.072 21.772 35.618 1.00 10.00 O ATOM 270 CB LYS A 20 25.994 21.238 33.226 1.00 10.00 C ATOM 271 CG LYS A 20 26.286 21.434 31.736 1.00 10.00 C ATOM 272 CD LYS A 20 24.984 21.973 31.087 1.00 10.00 C ATOM 273 CE LYS A 20 24.840 21.639 29.645 1.00 10.00 C ATOM 274 NZ LYS A 20 25.985 22.041 28.850 1.00 10.00 N ATOM 0 H LYS A 20 27.418 23.327 33.148 1.00 10.00 H new ATOM 0 HA LYS A 20 24.696 23.017 33.500 1.00 10.00 H new ATOM 0 HB2 LYS A 20 26.875 20.820 33.714 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.190 20.512 33.343 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.108 22.136 31.593 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.586 20.493 31.275 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.128 21.572 31.629 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.955 23.056 31.202 1.00 10.00 H new ATOM 0 HE2 LYS A 20 24.692 20.564 29.540 1.00 10.00 H new ATOM 0 HE3 LYS A 20 23.945 22.124 29.254 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 25.771 21.907 27.841 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.197 23.043 29.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 26.809 21.461 29.110 1.00 10.00 H new ATOM 288 N LYS A 21 26.067 22.648 36.353 1.00 10.00 N ATOM 289 CA LYS A 21 25.881 22.655 37.843 1.00 10.00 C ATOM 290 C LYS A 21 25.292 23.919 38.498 1.00 10.00 C ATOM 291 O LYS A 21 24.642 23.843 39.543 1.00 10.00 O ATOM 292 CB LYS A 21 27.195 22.222 38.481 1.00 10.00 C ATOM 293 CG LYS A 21 27.665 20.720 38.253 1.00 10.00 C ATOM 294 CD LYS A 21 26.730 19.642 38.735 1.00 10.00 C ATOM 295 CE LYS A 21 27.470 18.359 38.789 1.00 10.00 C ATOM 296 NZ LYS A 21 26.600 17.358 39.495 1.00 10.00 N ATOM 0 H LYS A 21 27.000 22.971 36.096 1.00 10.00 H new ATOM 0 HA LYS A 21 25.076 21.947 38.041 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.981 22.880 38.110 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.118 22.391 39.555 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.833 20.574 37.186 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.626 20.584 38.749 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.339 19.894 39.721 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.875 19.557 38.065 1.00 10.00 H new ATOM 0 HE2 LYS A 21 27.711 18.014 37.783 1.00 10.00 H new ATOM 0 HE3 LYS A 21 28.415 18.485 39.318 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 27.095 16.445 39.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 26.392 17.696 40.456 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 25.710 17.240 38.970 1.00 10.00 H new ATOM 310 N GLU A 22 25.533 25.045 37.847 1.00 10.00 N ATOM 311 CA GLU A 22 24.988 26.349 38.200 1.00 10.00 C ATOM 312 C GLU A 22 23.562 26.470 37.650 1.00 10.00 C ATOM 313 O GLU A 22 22.669 26.903 38.413 1.00 10.00 O ATOM 314 CB GLU A 22 25.830 27.514 37.675 1.00 10.00 C ATOM 315 CG GLU A 22 26.036 28.705 38.650 1.00 10.00 C ATOM 316 CD GLU A 22 26.839 29.864 38.072 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.109 29.939 36.857 1.00 10.00 O ATOM 318 OE2 GLU A 22 27.361 30.730 38.864 1.00 10.00 O ATOM 0 H GLU A 22 26.137 25.079 37.026 1.00 10.00 H new ATOM 0 HA GLU A 22 24.995 26.412 39.288 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.810 27.129 37.393 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.362 27.892 36.766 1.00 10.00 H new ATOM 0 HG2 GLU A 22 25.060 29.076 38.962 1.00 10.00 H new ATOM 0 HG3 GLU A 22 26.540 28.342 39.546 1.00 10.00 H new ATOM 325 N VAL A 23 23.349 26.181 36.330 1.00 10.00 N ATOM 326 CA VAL A 23 21.957 26.043 35.780 1.00 10.00 C ATOM 327 C VAL A 23 21.154 24.941 36.525 1.00 10.00 C ATOM 328 O VAL A 23 20.010 25.170 36.788 1.00 10.00 O ATOM 329 CB VAL A 23 22.011 25.607 34.290 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.362 24.196 34.007 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.770 26.025 33.546 1.00 10.00 C ATOM 0 H VAL A 23 24.093 26.043 35.646 1.00 10.00 H new ATOM 0 HA VAL A 23 21.477 27.014 35.903 1.00 10.00 H new ATOM 0 HB VAL A 23 22.874 26.154 33.910 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.363 24.030 32.930 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.352 23.980 34.408 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.630 23.538 34.475 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.843 25.703 32.507 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.897 25.565 34.008 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.671 27.110 33.584 1.00 10.00 H new ATOM 341 N VAL A 24 21.866 23.845 36.878 1.00 10.00 N ATOM 342 CA VAL A 24 21.069 22.722 37.520 1.00 10.00 C ATOM 343 C VAL A 24 20.856 22.998 39.046 1.00 10.00 C ATOM 344 O VAL A 24 19.867 22.523 39.609 1.00 10.00 O ATOM 345 CB VAL A 24 21.590 21.258 37.223 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.659 20.779 38.144 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.371 20.305 37.176 1.00 10.00 C ATOM 0 H VAL A 24 22.868 23.698 36.759 1.00 10.00 H new ATOM 0 HA VAL A 24 20.097 22.735 37.026 1.00 10.00 H new ATOM 0 HB VAL A 24 22.089 21.273 36.254 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.954 19.767 37.865 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.522 21.441 38.075 1.00 10.00 H new ATOM 0 HG13 VAL A 24 22.284 20.778 39.167 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.711 19.290 36.972 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.853 20.329 38.135 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.689 20.625 36.388 1.00 10.00 H new ATOM 357 N GLU A 25 21.641 23.904 39.643 1.00 10.00 N ATOM 358 CA GLU A 25 21.264 24.494 40.948 1.00 10.00 C ATOM 359 C GLU A 25 20.037 25.441 40.859 1.00 10.00 C ATOM 360 O GLU A 25 19.095 25.387 41.594 1.00 10.00 O ATOM 361 CB GLU A 25 22.540 24.989 41.660 1.00 10.00 C ATOM 362 CG GLU A 25 22.231 25.628 43.020 1.00 10.00 C ATOM 363 CD GLU A 25 23.383 25.910 43.959 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.512 26.123 43.435 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.297 25.882 45.266 1.00 10.00 O ATOM 0 H GLU A 25 22.523 24.243 39.259 1.00 10.00 H new ATOM 0 HA GLU A 25 20.853 23.742 41.622 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.224 24.152 41.800 1.00 10.00 H new ATOM 0 HB3 GLU A 25 23.050 25.715 41.026 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.715 26.570 42.835 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.529 24.977 43.541 1.00 10.00 H new ATOM 372 N GLU A 26 19.979 26.343 39.922 1.00 10.00 N ATOM 373 CA GLU A 26 18.873 27.224 39.635 1.00 10.00 C ATOM 374 C GLU A 26 17.561 26.484 39.110 1.00 10.00 C ATOM 375 O GLU A 26 16.428 26.922 39.385 1.00 10.00 O ATOM 376 CB GLU A 26 19.344 28.340 38.653 1.00 10.00 C ATOM 377 CG GLU A 26 18.368 29.357 38.221 1.00 10.00 C ATOM 378 CD GLU A 26 18.864 30.427 37.200 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.361 31.456 37.644 1.00 10.00 O ATOM 380 OE2 GLU A 26 18.662 30.291 35.981 1.00 10.00 O ATOM 0 H GLU A 26 20.762 26.497 39.287 1.00 10.00 H new ATOM 0 HA GLU A 26 18.567 27.671 40.581 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.180 28.861 39.120 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.732 27.852 37.759 1.00 10.00 H new ATOM 0 HG2 GLU A 26 17.513 28.842 37.783 1.00 10.00 H new ATOM 0 HG3 GLU A 26 18.006 29.877 39.108 1.00 10.00 H new ATOM 387 N ALA A 27 17.686 25.245 38.603 1.00 10.00 N ATOM 388 CA ALA A 27 16.618 24.332 38.168 1.00 10.00 C ATOM 389 C ALA A 27 15.956 23.499 39.237 1.00 10.00 C ATOM 390 O ALA A 27 14.782 23.169 39.177 1.00 10.00 O ATOM 391 CB ALA A 27 17.157 23.390 37.123 1.00 10.00 C ATOM 0 H ALA A 27 18.607 24.825 38.478 1.00 10.00 H new ATOM 0 HA ALA A 27 15.843 25.001 37.794 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.366 22.713 36.800 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.516 23.962 36.268 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.980 22.812 37.544 1.00 10.00 H new ATOM 397 N GLU A 28 16.692 23.257 40.358 1.00 10.00 N ATOM 398 CA GLU A 28 16.115 22.601 41.614 1.00 10.00 C ATOM 399 C GLU A 28 15.451 23.632 42.517 1.00 10.00 C ATOM 400 O GLU A 28 14.700 23.239 43.455 1.00 10.00 O ATOM 401 CB GLU A 28 17.314 21.990 42.343 1.00 10.00 C ATOM 402 CG GLU A 28 17.001 21.137 43.594 1.00 10.00 C ATOM 403 CD GLU A 28 18.341 20.410 44.017 1.00 10.00 C ATOM 404 OE1 GLU A 28 18.895 19.591 43.165 1.00 10.00 O ATOM 405 OE2 GLU A 28 18.860 20.673 45.150 1.00 10.00 O ATOM 0 H GLU A 28 17.680 23.496 40.439 1.00 10.00 H new ATOM 0 HA GLU A 28 15.357 21.862 41.354 1.00 10.00 H new ATOM 0 HB2 GLU A 28 17.863 21.369 41.635 1.00 10.00 H new ATOM 0 HB3 GLU A 28 17.981 22.799 42.640 1.00 10.00 H new ATOM 0 HG2 GLU A 28 16.633 21.765 44.405 1.00 10.00 H new ATOM 0 HG3 GLU A 28 16.221 20.408 43.376 1.00 10.00 H new ATOM 412 N ASN A 29 15.702 24.938 42.273 1.00 10.00 N ATOM 413 CA ASN A 29 15.295 26.070 43.093 1.00 10.00 C ATOM 414 C ASN A 29 13.782 26.352 43.020 1.00 10.00 C ATOM 415 O ASN A 29 13.149 26.376 44.102 1.00 10.00 O ATOM 416 CB ASN A 29 16.185 27.297 42.721 1.00 10.00 C ATOM 417 CG ASN A 29 16.180 28.380 43.807 1.00 10.00 C ATOM 418 OD1 ASN A 29 15.405 28.351 44.720 1.00 10.00 O ATOM 419 ND2 ASN A 29 16.940 29.410 43.622 1.00 10.00 N ATOM 420 OXT ASN A 29 13.246 26.590 41.962 1.00 10.00 O ATOM 0 H ASN A 29 16.225 25.232 41.448 1.00 10.00 H new ATOM 0 HA ASN A 29 15.459 25.833 44.144 1.00 10.00 H new ATOM 0 HB2 ASN A 29 17.208 26.961 42.553 1.00 10.00 H new ATOM 0 HB3 ASN A 29 15.832 27.726 41.783 1.00 10.00 H new ATOM 0 HD21 ASN A 29 16.883 30.207 44.256 1.00 10.00 H new ATOM 0 HD22 ASN A 29 17.597 29.426 42.842 1.00 10.00 H new TER 427 ASN A 29