USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 194 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -166:sc=-0.00279 (180deg=-0.178) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -36:sc= -0.151! USER MOD Single : A 8 SER OG : rot -95:sc= 0.383! USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 105:sc= -0.0499! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.116) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0499) USER MOD ----------------------------------------------------------------- ATOM 7 N SER A 1 16.328 5.466 -12.679 1.00 0.00 N ATOM 8 CA SER A 1 16.697 4.376 -11.782 1.00 0.00 C ATOM 9 C SER A 1 15.753 4.321 -10.587 1.00 0.00 C ATOM 10 O SER A 1 15.421 3.243 -10.093 1.00 0.00 O ATOM 11 CB SER A 1 18.132 4.566 -11.294 1.00 0.00 C ATOM 12 OG SER A 1 18.831 3.333 -11.398 1.00 0.00 O ATOM 0 H1 SER A 1 16.818 5.348 -13.589 1.00 0.00 H new ATOM 0 H2 SER A 1 15.300 5.454 -12.835 1.00 0.00 H new ATOM 0 H3 SER A 1 16.603 6.374 -12.253 1.00 0.00 H new ATOM 0 HA SER A 1 16.622 3.438 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 1 18.632 5.332 -11.888 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.134 4.912 -10.260 1.00 0.00 H new ATOM 0 HG SER A 1 19.753 3.452 -11.087 1.00 0.00 H new ATOM 18 N ASP A 2 15.325 5.490 -10.127 1.00 0.00 N ATOM 19 CA ASP A 2 14.418 5.565 -8.990 1.00 0.00 C ATOM 20 C ASP A 2 13.236 4.624 -9.188 1.00 0.00 C ATOM 21 O ASP A 2 12.745 4.019 -8.236 1.00 0.00 O ATOM 22 CB ASP A 2 13.912 6.999 -8.820 1.00 0.00 C ATOM 23 CG ASP A 2 14.126 7.461 -7.383 1.00 0.00 C ATOM 24 OD1 ASP A 2 15.272 7.600 -6.993 1.00 0.00 O ATOM 25 OD2 ASP A 2 13.141 7.666 -6.692 1.00 0.00 O ATOM 0 H ASP A 2 15.589 6.393 -10.521 1.00 0.00 H new ATOM 0 HA ASP A 2 14.960 5.264 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.438 7.663 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.853 7.052 -9.074 1.00 0.00 H new ATOM 30 N ALA A 3 12.785 4.506 -10.432 1.00 0.00 N ATOM 31 CA ALA A 3 11.659 3.636 -10.744 1.00 0.00 C ATOM 32 C ALA A 3 11.953 2.206 -10.299 1.00 0.00 C ATOM 33 O ALA A 3 11.037 1.429 -10.033 1.00 0.00 O ATOM 34 CB ALA A 3 11.380 3.661 -12.247 1.00 0.00 C ATOM 0 H ALA A 3 13.179 4.998 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 3 10.781 3.998 -10.209 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.537 3.008 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.143 4.679 -12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.261 3.314 -12.786 1.00 0.00 H new ATOM 40 N ALA A 4 13.237 1.870 -10.216 1.00 0.00 N ATOM 41 CA ALA A 4 13.642 0.535 -9.796 1.00 0.00 C ATOM 42 C ALA A 4 12.841 0.098 -8.576 1.00 0.00 C ATOM 43 O ALA A 4 12.827 -1.079 -8.217 1.00 0.00 O ATOM 44 CB ALA A 4 15.138 0.520 -9.465 1.00 0.00 C ATOM 0 H ALA A 4 14.009 2.500 -10.433 1.00 0.00 H new ATOM 0 HA ALA A 4 13.448 -0.160 -10.613 1.00 0.00 H new ATOM 0 HB1 ALA A 4 15.431 -0.482 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 4 15.709 0.806 -10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.339 1.225 -8.659 1.00 0.00 H new ATOM 50 N VAL A 5 12.172 1.054 -7.945 1.00 0.00 N ATOM 51 CA VAL A 5 11.366 0.765 -6.772 1.00 0.00 C ATOM 52 C VAL A 5 10.614 -0.536 -6.986 1.00 0.00 C ATOM 53 O VAL A 5 10.462 -1.335 -6.064 1.00 0.00 O ATOM 54 CB VAL A 5 10.383 1.907 -6.507 1.00 0.00 C ATOM 55 CG1 VAL A 5 9.152 1.369 -5.773 1.00 0.00 C ATOM 56 CG2 VAL A 5 11.062 2.973 -5.644 1.00 0.00 C ATOM 0 H VAL A 5 12.173 2.034 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 5 12.018 0.666 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 5 10.075 2.345 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.454 2.185 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.666 0.609 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.458 0.929 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.363 3.787 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.371 2.532 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.937 3.360 -6.166 1.00 0.00 H new ATOM 66 N ASP A 6 10.165 -0.758 -8.215 1.00 0.00 N ATOM 67 CA ASP A 6 9.460 -1.992 -8.520 1.00 0.00 C ATOM 68 C ASP A 6 10.392 -3.156 -8.229 1.00 0.00 C ATOM 69 O ASP A 6 9.992 -4.167 -7.652 1.00 0.00 O ATOM 70 CB ASP A 6 9.038 -2.016 -9.992 1.00 0.00 C ATOM 71 CG ASP A 6 8.102 -3.192 -10.251 1.00 0.00 C ATOM 72 OD1 ASP A 6 7.025 -3.204 -9.679 1.00 0.00 O ATOM 73 OD2 ASP A 6 8.476 -4.062 -11.020 1.00 0.00 O ATOM 0 H ASP A 6 10.274 -0.115 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 6 8.561 -2.065 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.540 -1.081 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.919 -2.095 -10.629 1.00 0.00 H new ATOM 78 N THR A 7 11.656 -2.971 -8.597 1.00 0.00 N ATOM 79 CA THR A 7 12.680 -3.971 -8.341 1.00 0.00 C ATOM 80 C THR A 7 12.847 -4.157 -6.840 1.00 0.00 C ATOM 81 O THR A 7 13.374 -5.171 -6.382 1.00 0.00 O ATOM 82 CB THR A 7 14.016 -3.543 -8.955 1.00 0.00 C ATOM 83 OG1 THR A 7 14.553 -2.462 -8.207 1.00 0.00 O ATOM 84 CG2 THR A 7 13.803 -3.105 -10.405 1.00 0.00 C ATOM 0 H THR A 7 11.993 -2.135 -9.074 1.00 0.00 H new ATOM 0 HA THR A 7 12.371 -4.912 -8.797 1.00 0.00 H new ATOM 0 HB THR A 7 14.709 -4.384 -8.933 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.824 -1.885 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.757 -2.801 -10.837 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.392 -3.935 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.108 -2.266 -10.433 1.00 0.00 H new ATOM 92 N SER A 8 12.406 -3.157 -6.074 1.00 0.00 N ATOM 93 CA SER A 8 12.533 -3.217 -4.622 1.00 0.00 C ATOM 94 C SER A 8 12.310 -4.642 -4.145 1.00 0.00 C ATOM 95 O SER A 8 12.770 -5.027 -3.069 1.00 0.00 O ATOM 96 CB SER A 8 11.521 -2.288 -3.955 1.00 0.00 C ATOM 97 OG SER A 8 10.206 -2.671 -4.333 1.00 0.00 O ATOM 0 H SER A 8 11.965 -2.309 -6.431 1.00 0.00 H new ATOM 0 HA SER A 8 13.537 -2.894 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.628 -2.335 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.710 -1.256 -4.250 1.00 0.00 H new ATOM 0 HG SER A 8 9.915 -2.131 -5.097 1.00 0.00 H new ATOM 103 N SER A 9 11.619 -5.428 -4.959 1.00 0.00 N ATOM 104 CA SER A 9 11.367 -6.818 -4.612 1.00 0.00 C ATOM 105 C SER A 9 12.681 -7.480 -4.214 1.00 0.00 C ATOM 106 O SER A 9 12.769 -8.156 -3.189 1.00 0.00 O ATOM 107 CB SER A 9 10.757 -7.558 -5.802 1.00 0.00 C ATOM 108 OG SER A 9 11.285 -8.876 -5.858 1.00 0.00 O ATOM 0 H SER A 9 11.228 -5.131 -5.853 1.00 0.00 H new ATOM 0 HA SER A 9 10.666 -6.859 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.672 -7.593 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.978 -7.026 -6.727 1.00 0.00 H new ATOM 0 HG SER A 9 10.894 -9.353 -6.620 1.00 0.00 H new ATOM 114 N GLU A 10 13.704 -7.259 -5.034 1.00 0.00 N ATOM 115 CA GLU A 10 15.027 -7.813 -4.770 1.00 0.00 C ATOM 116 C GLU A 10 15.653 -7.123 -3.564 1.00 0.00 C ATOM 117 O GLU A 10 16.799 -7.386 -3.209 1.00 0.00 O ATOM 118 CB GLU A 10 15.924 -7.612 -5.989 1.00 0.00 C ATOM 119 CG GLU A 10 16.054 -8.931 -6.755 1.00 0.00 C ATOM 120 CD GLU A 10 16.856 -8.714 -8.034 1.00 0.00 C ATOM 121 OE1 GLU A 10 16.266 -8.291 -9.014 1.00 0.00 O ATOM 122 OE2 GLU A 10 18.048 -8.977 -8.016 1.00 0.00 O ATOM 0 H GLU A 10 13.642 -6.701 -5.886 1.00 0.00 H new ATOM 0 HA GLU A 10 14.926 -8.878 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.505 -6.843 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.908 -7.264 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.545 -9.677 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.065 -9.319 -6.998 1.00 0.00 H new ATOM 129 N ILE A 11 14.885 -6.226 -2.955 1.00 0.00 N ATOM 130 CA ILE A 11 15.344 -5.471 -1.790 1.00 0.00 C ATOM 131 C ILE A 11 16.655 -4.748 -2.087 1.00 0.00 C ATOM 132 O ILE A 11 16.966 -4.454 -3.241 1.00 0.00 O ATOM 133 CB ILE A 11 15.497 -6.396 -0.569 1.00 0.00 C ATOM 134 CG1 ILE A 11 16.746 -7.285 -0.693 1.00 0.00 C ATOM 135 CG2 ILE A 11 14.263 -7.294 -0.462 1.00 0.00 C ATOM 136 CD1 ILE A 11 17.270 -7.618 0.706 1.00 0.00 C ATOM 0 H ILE A 11 13.935 -6.002 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 11 14.590 -4.718 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 11 15.601 -5.773 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 11 16.502 -8.201 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.516 -6.772 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.365 -7.952 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.373 -6.676 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.171 -7.895 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 11 18.155 -8.248 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.529 -6.696 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 11 16.500 -8.147 1.267 1.00 0.00 H new ATOM 148 N THR A 12 17.415 -4.458 -1.035 1.00 0.00 N ATOM 149 CA THR A 12 18.689 -3.760 -1.188 1.00 0.00 C ATOM 150 C THR A 12 18.474 -2.255 -1.126 1.00 0.00 C ATOM 151 O THR A 12 19.425 -1.487 -0.974 1.00 0.00 O ATOM 152 CB THR A 12 19.337 -4.131 -2.525 1.00 0.00 C ATOM 153 OG1 THR A 12 19.045 -5.487 -2.831 1.00 0.00 O ATOM 154 CG2 THR A 12 20.852 -3.943 -2.429 1.00 0.00 C ATOM 0 H THR A 12 17.173 -4.694 -0.072 1.00 0.00 H new ATOM 0 HA THR A 12 19.349 -4.061 -0.374 1.00 0.00 H new ATOM 0 HB THR A 12 18.942 -3.488 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.357 -5.524 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.312 -4.207 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.075 -2.902 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.249 -4.585 -1.643 1.00 0.00 H new ATOM 162 N THR A 13 17.219 -1.839 -1.242 1.00 0.00 N ATOM 163 CA THR A 13 16.887 -0.423 -1.193 1.00 0.00 C ATOM 164 C THR A 13 17.339 0.181 0.132 1.00 0.00 C ATOM 165 O THR A 13 17.981 1.231 0.160 1.00 0.00 O ATOM 166 CB THR A 13 15.378 -0.235 -1.363 1.00 0.00 C ATOM 167 OG1 THR A 13 14.986 -0.715 -2.641 1.00 0.00 O ATOM 168 CG2 THR A 13 15.028 1.249 -1.243 1.00 0.00 C ATOM 0 H THR A 13 16.419 -2.459 -1.370 1.00 0.00 H new ATOM 0 HA THR A 13 17.405 0.086 -2.006 1.00 0.00 H new ATOM 0 HB THR A 13 14.852 -0.792 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.019 -0.598 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.953 1.380 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.330 1.616 -0.262 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.552 1.810 -2.017 1.00 0.00 H new ATOM 176 N LYS A 14 17.007 -0.493 1.229 1.00 0.00 N ATOM 177 CA LYS A 14 17.396 -0.014 2.549 1.00 0.00 C ATOM 178 C LYS A 14 18.907 -0.115 2.714 1.00 0.00 C ATOM 179 O LYS A 14 19.537 0.754 3.314 1.00 0.00 O ATOM 180 CB LYS A 14 16.705 -0.837 3.638 1.00 0.00 C ATOM 181 CG LYS A 14 16.973 -0.203 5.007 1.00 0.00 C ATOM 182 CD LYS A 14 17.514 -1.267 5.966 1.00 0.00 C ATOM 183 CE LYS A 14 17.293 -0.814 7.410 1.00 0.00 C ATOM 184 NZ LYS A 14 18.070 0.430 7.665 1.00 0.00 N ATOM 0 H LYS A 14 16.475 -1.363 1.230 1.00 0.00 H new ATOM 0 HA LYS A 14 17.091 1.028 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.632 -0.881 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 14 17.074 -1.863 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.691 0.611 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.055 0.228 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.011 -2.218 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.576 -1.430 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.233 -0.636 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.605 -1.598 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.101 0.616 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.039 0.314 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.614 1.230 7.181 1.00 0.00 H new ATOM 198 N ASP A 15 19.482 -1.178 2.162 1.00 0.00 N ATOM 199 CA ASP A 15 20.924 -1.378 2.241 1.00 0.00 C ATOM 200 C ASP A 15 21.640 -0.174 1.651 1.00 0.00 C ATOM 201 O ASP A 15 22.705 0.223 2.121 1.00 0.00 O ATOM 202 CB ASP A 15 21.326 -2.627 1.467 1.00 0.00 C ATOM 203 CG ASP A 15 21.022 -3.875 2.290 1.00 0.00 C ATOM 204 OD1 ASP A 15 21.510 -3.959 3.404 1.00 0.00 O ATOM 205 OD2 ASP A 15 20.306 -4.728 1.792 1.00 0.00 O ATOM 0 H ASP A 15 18.977 -1.908 1.660 1.00 0.00 H new ATOM 0 HA ASP A 15 21.204 -1.498 3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 20.787 -2.666 0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 15 22.389 -2.590 1.228 1.00 0.00 H new ATOM 210 N LEU A 16 21.036 0.409 0.623 1.00 0.00 N ATOM 211 CA LEU A 16 21.612 1.578 -0.022 1.00 0.00 C ATOM 212 C LEU A 16 21.883 2.645 1.026 1.00 0.00 C ATOM 213 O LEU A 16 22.804 3.451 0.892 1.00 0.00 O ATOM 214 CB LEU A 16 20.645 2.125 -1.076 1.00 0.00 C ATOM 215 CG LEU A 16 21.429 2.579 -2.310 1.00 0.00 C ATOM 216 CD1 LEU A 16 22.454 3.639 -1.905 1.00 0.00 C ATOM 217 CD2 LEU A 16 22.152 1.379 -2.923 1.00 0.00 C ATOM 0 H LEU A 16 20.153 0.093 0.221 1.00 0.00 H new ATOM 0 HA LEU A 16 22.545 1.298 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 16 19.923 1.357 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.079 2.961 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 16 20.740 3.002 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.011 3.961 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 16 21.939 4.495 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 23.143 3.218 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 22.711 1.701 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 22.840 0.956 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.422 0.624 -3.214 1.00 0.00 H new ATOM 229 N LYS A 17 21.070 2.636 2.075 1.00 0.00 N ATOM 230 CA LYS A 17 21.222 3.602 3.157 1.00 0.00 C ATOM 231 C LYS A 17 22.494 3.319 3.944 1.00 0.00 C ATOM 232 O LYS A 17 23.199 4.239 4.358 1.00 0.00 O ATOM 233 CB LYS A 17 20.013 3.540 4.091 1.00 0.00 C ATOM 234 CG LYS A 17 20.110 4.665 5.123 1.00 0.00 C ATOM 235 CD LYS A 17 18.747 4.873 5.783 1.00 0.00 C ATOM 236 CE LYS A 17 18.045 6.070 5.140 1.00 0.00 C ATOM 237 NZ LYS A 17 16.625 6.111 5.589 1.00 0.00 N ATOM 0 H LYS A 17 20.303 1.975 2.200 1.00 0.00 H new ATOM 0 HA LYS A 17 21.289 4.600 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.091 3.636 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.977 2.573 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 17 20.857 4.417 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 17 20.437 5.587 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 17 18.137 3.977 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 17 18.871 5.042 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.552 6.994 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.092 5.993 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.146 6.925 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.145 5.233 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.591 6.204 6.624 1.00 0.00 H new ATOM 251 N GLU A 18 22.783 2.039 4.140 1.00 0.00 N ATOM 252 CA GLU A 18 23.979 1.641 4.872 1.00 0.00 C ATOM 253 C GLU A 18 25.211 1.818 3.994 1.00 0.00 C ATOM 254 O GLU A 18 26.271 2.231 4.465 1.00 0.00 O ATOM 255 CB GLU A 18 23.863 0.180 5.311 1.00 0.00 C ATOM 256 CG GLU A 18 25.121 -0.225 6.079 1.00 0.00 C ATOM 257 CD GLU A 18 25.987 -1.133 5.213 1.00 0.00 C ATOM 258 OE1 GLU A 18 26.380 -0.700 4.143 1.00 0.00 O ATOM 259 OE2 GLU A 18 26.241 -2.251 5.631 1.00 0.00 O ATOM 0 H GLU A 18 22.211 1.264 3.805 1.00 0.00 H new ATOM 0 HA GLU A 18 24.077 2.272 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 18 22.982 0.047 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 18 23.733 -0.463 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 18 25.684 0.663 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 18 24.846 -0.740 6.999 1.00 0.00 H new ATOM 266 N LYS A 19 25.059 1.511 2.710 1.00 0.00 N ATOM 267 CA LYS A 19 26.161 1.647 1.765 1.00 0.00 C ATOM 268 C LYS A 19 26.421 3.119 1.458 1.00 0.00 C ATOM 269 O LYS A 19 27.555 3.516 1.198 1.00 0.00 O ATOM 270 CB LYS A 19 25.838 0.900 0.470 1.00 0.00 C ATOM 271 CG LYS A 19 26.853 1.287 -0.609 1.00 0.00 C ATOM 272 CD LYS A 19 27.299 0.033 -1.363 1.00 0.00 C ATOM 273 CE LYS A 19 28.110 0.439 -2.596 1.00 0.00 C ATOM 274 NZ LYS A 19 28.520 -0.783 -3.345 1.00 0.00 N ATOM 0 H LYS A 19 24.189 1.168 2.302 1.00 0.00 H new ATOM 0 HA LYS A 19 27.056 1.217 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.866 -0.176 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 24.828 1.144 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.409 2.002 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.714 1.777 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.901 -0.601 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.430 -0.552 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 27.516 1.090 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 19 28.990 1.007 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.071 -0.508 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.102 -1.388 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.673 -1.307 -3.644 1.00 0.00 H new ATOM 288 N LYS A 20 25.363 3.924 1.490 1.00 0.00 N ATOM 289 CA LYS A 20 25.493 5.352 1.216 1.00 0.00 C ATOM 290 C LYS A 20 26.134 6.064 2.400 1.00 0.00 C ATOM 291 O LYS A 20 26.852 7.050 2.231 1.00 0.00 O ATOM 292 CB LYS A 20 24.117 5.957 0.940 1.00 0.00 C ATOM 293 CG LYS A 20 24.176 7.475 1.126 1.00 0.00 C ATOM 294 CD LYS A 20 22.871 8.102 0.627 1.00 0.00 C ATOM 295 CE LYS A 20 23.110 9.571 0.273 1.00 0.00 C ATOM 296 NZ LYS A 20 23.428 10.337 1.511 1.00 0.00 N ATOM 0 H LYS A 20 24.414 3.616 1.701 1.00 0.00 H new ATOM 0 HA LYS A 20 26.128 5.480 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.800 5.717 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 20 23.377 5.526 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 20 24.330 7.717 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.023 7.887 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.507 7.562 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 22.101 8.023 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.930 9.655 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.225 9.988 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.423 11.355 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.715 10.131 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.368 10.060 1.859 1.00 0.00 H new ATOM 310 N GLU A 21 25.867 5.559 3.598 1.00 0.00 N ATOM 311 CA GLU A 21 26.418 6.153 4.805 1.00 0.00 C ATOM 312 C GLU A 21 27.926 5.916 4.874 1.00 0.00 C ATOM 313 O GLU A 21 28.682 6.800 5.273 1.00 0.00 O ATOM 314 CB GLU A 21 25.710 5.566 6.039 1.00 0.00 C ATOM 315 CG GLU A 21 26.724 4.959 7.015 1.00 0.00 C ATOM 316 CD GLU A 21 27.655 6.045 7.548 1.00 0.00 C ATOM 317 OE1 GLU A 21 27.484 7.188 7.157 1.00 0.00 O ATOM 318 OE2 GLU A 21 28.524 5.716 8.338 1.00 0.00 O ATOM 0 H GLU A 21 25.275 4.744 3.757 1.00 0.00 H new ATOM 0 HA GLU A 21 26.250 7.230 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.139 6.347 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.999 4.802 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.201 4.479 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.305 4.185 6.513 1.00 0.00 H new ATOM 325 N VAL A 22 28.355 4.721 4.482 1.00 0.00 N ATOM 326 CA VAL A 22 29.777 4.394 4.509 1.00 0.00 C ATOM 327 C VAL A 22 30.562 5.348 3.615 1.00 0.00 C ATOM 328 O VAL A 22 31.746 5.593 3.844 1.00 0.00 O ATOM 329 CB VAL A 22 30.005 2.947 4.054 1.00 0.00 C ATOM 330 CG1 VAL A 22 30.032 2.876 2.526 1.00 0.00 C ATOM 331 CG2 VAL A 22 31.345 2.452 4.604 1.00 0.00 C ATOM 0 H VAL A 22 27.749 3.972 4.146 1.00 0.00 H new ATOM 0 HA VAL A 22 30.131 4.501 5.534 1.00 0.00 H new ATOM 0 HB VAL A 22 29.194 2.322 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 30.194 1.845 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 22 29.081 3.231 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 22 30.840 3.502 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 22 31.512 1.424 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 22 32.149 3.085 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 22 31.329 2.495 5.693 1.00 0.00 H new ATOM 341 N VAL A 23 29.898 5.883 2.594 1.00 0.00 N ATOM 342 CA VAL A 23 30.553 6.804 1.675 1.00 0.00 C ATOM 343 C VAL A 23 31.224 7.937 2.442 1.00 0.00 C ATOM 344 O VAL A 23 32.307 8.389 2.075 1.00 0.00 O ATOM 345 CB VAL A 23 29.535 7.381 0.691 1.00 0.00 C ATOM 346 CG1 VAL A 23 30.268 8.141 -0.417 1.00 0.00 C ATOM 347 CG2 VAL A 23 28.723 6.241 0.074 1.00 0.00 C ATOM 0 H VAL A 23 28.917 5.696 2.385 1.00 0.00 H new ATOM 0 HA VAL A 23 31.314 6.253 1.122 1.00 0.00 H new ATOM 0 HB VAL A 23 28.867 8.063 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 23 29.542 8.552 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 23 30.849 8.953 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 23 30.936 7.460 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 23 27.996 6.650 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 23 29.393 5.561 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 23 28.200 5.699 0.862 1.00 0.00 H new ATOM 357 N GLU A 24 30.577 8.393 3.509 1.00 0.00 N ATOM 358 CA GLU A 24 31.133 9.476 4.313 1.00 0.00 C ATOM 359 C GLU A 24 32.494 9.078 4.871 1.00 0.00 C ATOM 360 O GLU A 24 33.421 9.887 4.910 1.00 0.00 O ATOM 361 CB GLU A 24 30.184 9.805 5.467 1.00 0.00 C ATOM 362 CG GLU A 24 29.666 11.237 5.316 1.00 0.00 C ATOM 363 CD GLU A 24 30.832 12.219 5.361 1.00 0.00 C ATOM 364 OE1 GLU A 24 31.928 11.788 5.676 1.00 0.00 O ATOM 365 OE2 GLU A 24 30.610 13.384 5.079 1.00 0.00 O ATOM 0 H GLU A 24 29.679 8.036 3.835 1.00 0.00 H new ATOM 0 HA GLU A 24 31.254 10.354 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.349 9.105 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.702 9.694 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.128 11.341 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.958 11.463 6.114 1.00 0.00 H new ATOM 372 N GLU A 25 32.612 7.824 5.289 1.00 0.00 N ATOM 373 CA GLU A 25 33.871 7.327 5.824 1.00 0.00 C ATOM 374 C GLU A 25 34.954 7.426 4.760 1.00 0.00 C ATOM 375 O GLU A 25 36.145 7.305 5.049 1.00 0.00 O ATOM 376 CB GLU A 25 33.717 5.873 6.279 1.00 0.00 C ATOM 377 CG GLU A 25 34.913 5.474 7.150 1.00 0.00 C ATOM 378 CD GLU A 25 35.900 4.646 6.335 1.00 0.00 C ATOM 379 OE1 GLU A 25 36.735 5.240 5.673 1.00 0.00 O ATOM 380 OE2 GLU A 25 35.807 3.431 6.385 1.00 0.00 O ATOM 0 H GLU A 25 31.857 7.138 5.268 1.00 0.00 H new ATOM 0 HA GLU A 25 34.155 7.934 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 25 32.790 5.754 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 25 33.651 5.216 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 25 35.406 6.366 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.570 4.901 8.012 1.00 0.00 H new ATOM 387 N ALA A 26 34.521 7.639 3.522 1.00 0.00 N ATOM 388 CA ALA A 26 35.448 7.750 2.403 1.00 0.00 C ATOM 389 C ALA A 26 36.653 8.601 2.784 1.00 0.00 C ATOM 390 O ALA A 26 37.769 8.355 2.326 1.00 0.00 O ATOM 391 CB ALA A 26 34.741 8.373 1.198 1.00 0.00 C ATOM 0 H ALA A 26 33.538 7.738 3.269 1.00 0.00 H new ATOM 0 HA ALA A 26 35.794 6.749 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 26 35.441 8.452 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 26 33.899 7.745 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 26 34.378 9.366 1.463 1.00 0.00 H new