USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 349 hydrogens (2 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 LYS N :NH3+ -146:sc= -0.0669 (180deg=-0.848) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0255 (180deg=-0.451) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= -0.256 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= 0.0158 (180deg=-0.141) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.110 17.773 -4.233 1.00 0.00 N ATOM 2 CA LYS A 1 -4.353 17.342 -4.934 1.00 0.00 C ATOM 3 C LYS A 1 -5.167 16.431 -4.013 1.00 0.00 C ATOM 4 O LYS A 1 -4.688 15.417 -3.544 1.00 0.00 O ATOM 5 CB LYS A 1 -3.983 16.579 -6.207 1.00 0.00 C ATOM 6 CG LYS A 1 -3.215 17.506 -7.151 1.00 0.00 C ATOM 7 CD LYS A 1 -4.063 17.787 -8.394 1.00 0.00 C ATOM 8 CE LYS A 1 -4.996 18.967 -8.120 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.403 18.479 -8.043 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.865 18.741 -4.524 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.265 17.750 -3.205 1.00 0.00 H new ATOM 0 H3 LYS A 1 -2.331 17.130 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.945 18.219 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.374 15.709 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.884 16.208 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.974 18.440 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.270 17.047 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.418 18.010 -9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.645 16.904 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.717 19.456 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.900 19.711 -8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.039 19.281 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.665 18.032 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.488 17.784 -7.274 1.00 0.00 H new ATOM 25 N TRP A 2 -6.396 16.783 -3.750 1.00 0.00 N ATOM 26 CA TRP A 2 -7.239 15.937 -2.860 1.00 0.00 C ATOM 27 C TRP A 2 -7.490 14.586 -3.531 1.00 0.00 C ATOM 28 O TRP A 2 -7.834 13.615 -2.887 1.00 0.00 O ATOM 29 CB TRP A 2 -8.575 16.637 -2.604 1.00 0.00 C ATOM 30 CG TRP A 2 -9.323 15.903 -1.540 1.00 0.00 C ATOM 31 CD1 TRP A 2 -9.904 14.691 -1.693 1.00 0.00 C ATOM 32 CD2 TRP A 2 -9.581 16.310 -0.164 1.00 0.00 C ATOM 33 NE1 TRP A 2 -10.502 14.328 -0.500 1.00 0.00 N ATOM 34 CE2 TRP A 2 -10.331 15.293 0.473 1.00 0.00 C ATOM 35 CE3 TRP A 2 -9.241 17.450 0.584 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -10.729 15.404 1.806 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -9.639 17.566 1.926 1.00 0.00 C ATOM 38 CH2 TRP A 2 -10.382 16.545 2.535 1.00 0.00 C ATOM 0 H TRP A 2 -6.852 17.620 -4.113 1.00 0.00 H new ATOM 0 HA TRP A 2 -6.725 15.782 -1.912 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -8.405 17.669 -2.298 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -9.163 16.669 -3.521 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -9.901 14.103 -2.599 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -11.008 13.454 -0.356 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -8.670 18.243 0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -11.301 14.614 2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -9.371 18.446 2.492 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -10.686 16.640 3.567 1.00 0.00 H new ATOM 49 N LYS A 3 -7.317 14.519 -4.819 1.00 0.00 N ATOM 50 CA LYS A 3 -7.541 13.235 -5.536 1.00 0.00 C ATOM 51 C LYS A 3 -6.486 12.222 -5.093 1.00 0.00 C ATOM 52 O LYS A 3 -6.705 11.026 -5.113 1.00 0.00 O ATOM 53 CB LYS A 3 -7.430 13.468 -7.045 1.00 0.00 C ATOM 54 CG LYS A 3 -7.398 12.124 -7.772 1.00 0.00 C ATOM 55 CD LYS A 3 -8.616 12.011 -8.691 1.00 0.00 C ATOM 56 CE LYS A 3 -8.760 10.566 -9.170 1.00 0.00 C ATOM 57 NZ LYS A 3 -8.131 10.424 -10.514 1.00 0.00 N ATOM 0 H LYS A 3 -7.029 15.300 -5.408 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.535 12.852 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.275 14.061 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.527 14.036 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.481 12.035 -8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.397 11.308 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.516 12.321 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.504 12.679 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.286 9.887 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.814 10.291 -9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.228 9.441 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.603 11.061 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.122 10.670 -10.453 1.00 0.00 H new ATOM 71 N VAL A 4 -5.345 12.696 -4.690 1.00 0.00 N ATOM 72 CA VAL A 4 -4.266 11.773 -4.240 1.00 0.00 C ATOM 73 C VAL A 4 -4.763 10.949 -3.054 1.00 0.00 C ATOM 74 O VAL A 4 -4.372 9.814 -2.862 1.00 0.00 O ATOM 75 CB VAL A 4 -3.042 12.587 -3.820 1.00 0.00 C ATOM 76 CG1 VAL A 4 -2.048 11.676 -3.098 1.00 0.00 C ATOM 77 CG2 VAL A 4 -2.377 13.184 -5.062 1.00 0.00 C ATOM 0 H VAL A 4 -5.110 13.688 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.994 11.105 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.351 13.390 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.175 12.255 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.521 11.249 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.738 10.873 -3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.504 13.765 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.067 12.381 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.085 13.833 -5.578 1.00 0.00 H new ATOM 87 N PHE A 5 -5.622 11.513 -2.257 1.00 0.00 N ATOM 88 CA PHE A 5 -6.150 10.771 -1.077 1.00 0.00 C ATOM 89 C PHE A 5 -6.885 9.521 -1.546 1.00 0.00 C ATOM 90 O PHE A 5 -6.925 8.518 -0.861 1.00 0.00 O ATOM 91 CB PHE A 5 -7.110 11.668 -0.295 1.00 0.00 C ATOM 92 CG PHE A 5 -6.887 11.477 1.186 1.00 0.00 C ATOM 93 CD1 PHE A 5 -7.363 10.324 1.823 1.00 0.00 C ATOM 94 CD2 PHE A 5 -6.205 12.452 1.923 1.00 0.00 C ATOM 95 CE1 PHE A 5 -7.158 10.148 3.197 1.00 0.00 C ATOM 96 CE2 PHE A 5 -6.000 12.276 3.297 1.00 0.00 C ATOM 97 CZ PHE A 5 -6.476 11.123 3.933 1.00 0.00 C ATOM 0 H PHE A 5 -5.984 12.460 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.321 10.481 -0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.951 12.712 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.141 11.426 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.888 9.571 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.837 13.340 1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.526 9.260 3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.475 13.029 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.317 10.986 4.992 1.00 0.00 H new ATOM 107 N LYS A 6 -7.460 9.566 -2.709 1.00 0.00 N ATOM 108 CA LYS A 6 -8.182 8.371 -3.218 1.00 0.00 C ATOM 109 C LYS A 6 -7.189 7.227 -3.352 1.00 0.00 C ATOM 110 O LYS A 6 -7.498 6.082 -3.092 1.00 0.00 O ATOM 111 CB LYS A 6 -8.810 8.680 -4.578 1.00 0.00 C ATOM 112 CG LYS A 6 -10.327 8.497 -4.494 1.00 0.00 C ATOM 113 CD LYS A 6 -10.697 7.083 -4.945 1.00 0.00 C ATOM 114 CE LYS A 6 -12.208 6.887 -4.822 1.00 0.00 C ATOM 115 NZ LYS A 6 -12.908 7.818 -5.751 1.00 0.00 N ATOM 0 H LYS A 6 -7.463 10.376 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.977 8.094 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.572 9.701 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.395 8.020 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.668 8.665 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.828 9.233 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.382 6.925 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.173 6.347 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.472 5.856 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.527 7.072 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.879 7.482 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.936 8.770 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.398 7.853 -6.657 1.00 0.00 H new ATOM 129 N LYS A 7 -5.988 7.538 -3.735 1.00 0.00 N ATOM 130 CA LYS A 7 -4.957 6.479 -3.864 1.00 0.00 C ATOM 131 C LYS A 7 -4.596 5.994 -2.470 1.00 0.00 C ATOM 132 O LYS A 7 -4.277 4.842 -2.256 1.00 0.00 O ATOM 133 CB LYS A 7 -3.717 7.039 -4.563 1.00 0.00 C ATOM 134 CG LYS A 7 -3.852 6.847 -6.075 1.00 0.00 C ATOM 135 CD LYS A 7 -2.892 7.792 -6.799 1.00 0.00 C ATOM 136 CE LYS A 7 -3.077 7.649 -8.311 1.00 0.00 C ATOM 137 NZ LYS A 7 -1.814 7.146 -8.921 1.00 0.00 N ATOM 0 H LYS A 7 -5.675 8.481 -3.965 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.341 5.651 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.602 8.097 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.822 6.533 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.631 5.813 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.878 7.045 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.080 8.822 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.863 7.562 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.895 6.961 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.346 8.611 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.940 7.049 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.044 7.818 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.576 6.220 -8.512 1.00 0.00 H new ATOM 151 N ILE A 8 -4.667 6.872 -1.518 1.00 0.00 N ATOM 152 CA ILE A 8 -4.355 6.485 -0.119 1.00 0.00 C ATOM 153 C ILE A 8 -5.517 5.656 0.407 1.00 0.00 C ATOM 154 O ILE A 8 -5.353 4.748 1.197 1.00 0.00 O ATOM 155 CB ILE A 8 -4.188 7.744 0.733 1.00 0.00 C ATOM 156 CG1 ILE A 8 -2.843 8.397 0.410 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.235 7.369 2.215 1.00 0.00 C ATOM 158 CD1 ILE A 8 -2.718 9.716 1.177 1.00 0.00 C ATOM 0 H ILE A 8 -4.930 7.849 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.431 5.909 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.995 8.444 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.027 7.727 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.763 8.578 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.116 8.267 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.194 6.902 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.429 6.670 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.760 10.181 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.526 10.386 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.779 9.521 2.248 1.00 0.00 H new ATOM 170 N GLU A 9 -6.694 5.972 -0.041 1.00 0.00 N ATOM 171 CA GLU A 9 -7.896 5.217 0.410 1.00 0.00 C ATOM 172 C GLU A 9 -7.809 3.785 -0.107 1.00 0.00 C ATOM 173 O GLU A 9 -7.978 2.832 0.626 1.00 0.00 O ATOM 174 CB GLU A 9 -9.160 5.884 -0.139 1.00 0.00 C ATOM 175 CG GLU A 9 -10.386 5.062 0.266 1.00 0.00 C ATOM 176 CD GLU A 9 -11.342 4.952 -0.923 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.967 5.948 -1.249 1.00 0.00 O ATOM 178 OE2 GLU A 9 -11.435 3.874 -1.486 1.00 0.00 O ATOM 0 H GLU A 9 -6.880 6.725 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.938 5.213 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.246 6.900 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.102 5.960 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.079 4.068 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.891 5.533 1.110 1.00 0.00 H new ATOM 185 N LYS A 10 -7.542 3.633 -1.369 1.00 0.00 N ATOM 186 CA LYS A 10 -7.435 2.268 -1.955 1.00 0.00 C ATOM 187 C LYS A 10 -6.139 1.613 -1.477 1.00 0.00 C ATOM 188 O LYS A 10 -5.989 0.408 -1.514 1.00 0.00 O ATOM 189 CB LYS A 10 -7.428 2.364 -3.481 1.00 0.00 C ATOM 190 CG LYS A 10 -6.106 2.975 -3.948 1.00 0.00 C ATOM 191 CD LYS A 10 -5.126 1.858 -4.311 1.00 0.00 C ATOM 192 CE LYS A 10 -4.534 2.127 -5.694 1.00 0.00 C ATOM 193 NZ LYS A 10 -3.056 2.273 -5.582 1.00 0.00 N ATOM 0 H LYS A 10 -7.392 4.398 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.287 1.667 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.558 1.374 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.264 2.975 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.276 3.619 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.685 3.601 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.330 1.802 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.637 0.895 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.779 1.309 -6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.969 3.033 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.653 2.456 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.833 3.067 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.649 1.397 -5.195 1.00 0.00 H new ATOM 207 N LYS A 11 -5.202 2.399 -1.024 1.00 0.00 N ATOM 208 CA LYS A 11 -3.915 1.824 -0.539 1.00 0.00 C ATOM 209 C LYS A 11 -4.176 1.008 0.722 1.00 0.00 C ATOM 210 O LYS A 11 -3.512 0.027 0.991 1.00 0.00 O ATOM 211 CB LYS A 11 -2.935 2.955 -0.222 1.00 0.00 C ATOM 212 CG LYS A 11 -1.540 2.586 -0.732 1.00 0.00 C ATOM 213 CD LYS A 11 -0.567 3.724 -0.419 1.00 0.00 C ATOM 214 CE LYS A 11 0.871 3.212 -0.522 1.00 0.00 C ATOM 215 NZ LYS A 11 1.790 4.175 0.149 1.00 0.00 N ATOM 0 H LYS A 11 -5.271 3.415 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.487 1.183 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.270 3.881 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.905 3.132 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.201 1.663 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.570 2.404 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.721 4.549 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.755 4.112 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.953 2.230 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.152 3.093 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.768 3.828 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.719 5.103 -0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.526 4.267 1.151 1.00 0.00 H new ATOM 229 N TRP A 12 -5.143 1.404 1.494 1.00 0.00 N ATOM 230 CA TRP A 12 -5.457 0.650 2.737 1.00 0.00 C ATOM 231 C TRP A 12 -6.057 -0.700 2.362 1.00 0.00 C ATOM 232 O TRP A 12 -5.622 -1.738 2.822 1.00 0.00 O ATOM 233 CB TRP A 12 -6.456 1.442 3.583 1.00 0.00 C ATOM 234 CG TRP A 12 -5.731 2.128 4.694 1.00 0.00 C ATOM 235 CD1 TRP A 12 -5.015 3.269 4.567 1.00 0.00 C ATOM 236 CD2 TRP A 12 -5.636 1.739 6.095 1.00 0.00 C ATOM 237 NE1 TRP A 12 -4.487 3.606 5.800 1.00 0.00 N ATOM 238 CE2 TRP A 12 -4.842 2.694 6.774 1.00 0.00 C ATOM 239 CE3 TRP A 12 -6.156 0.663 6.836 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -4.573 2.585 8.139 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -5.888 0.550 8.209 1.00 0.00 C ATOM 242 CH2 TRP A 12 -5.098 1.509 8.860 1.00 0.00 C ATOM 0 H TRP A 12 -5.732 2.218 1.319 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.545 0.498 3.314 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.973 2.175 2.964 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.216 0.774 3.988 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.878 3.826 3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.907 4.428 5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -6.766 -0.081 6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.964 3.326 8.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.293 -0.281 8.768 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.896 1.416 9.917 1.00 0.00 H new ATOM 253 N LYS A 13 -7.043 -0.693 1.514 1.00 0.00 N ATOM 254 CA LYS A 13 -7.672 -1.973 1.092 1.00 0.00 C ATOM 255 C LYS A 13 -6.596 -2.865 0.483 1.00 0.00 C ATOM 256 O LYS A 13 -6.712 -4.074 0.455 1.00 0.00 O ATOM 257 CB LYS A 13 -8.758 -1.693 0.049 1.00 0.00 C ATOM 258 CG LYS A 13 -9.590 -2.956 -0.174 1.00 0.00 C ATOM 259 CD LYS A 13 -9.047 -3.722 -1.382 1.00 0.00 C ATOM 260 CE LYS A 13 -9.041 -2.805 -2.607 1.00 0.00 C ATOM 261 NZ LYS A 13 -7.650 -2.683 -3.129 1.00 0.00 N ATOM 0 H LYS A 13 -7.442 0.146 1.093 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.125 -2.467 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.398 -0.878 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.303 -1.375 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.557 -3.587 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.635 -2.691 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.038 -4.078 -1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.662 -4.601 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.697 -3.207 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.428 -1.822 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.491 -1.713 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.974 -2.899 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.514 -3.351 -3.914 1.00 0.00 H new ATOM 275 N VAL A 14 -5.539 -2.271 0.013 1.00 0.00 N ATOM 276 CA VAL A 14 -4.433 -3.065 -0.580 1.00 0.00 C ATOM 277 C VAL A 14 -3.510 -3.520 0.543 1.00 0.00 C ATOM 278 O VAL A 14 -3.013 -4.628 0.554 1.00 0.00 O ATOM 279 CB VAL A 14 -3.651 -2.191 -1.560 1.00 0.00 C ATOM 280 CG1 VAL A 14 -2.331 -2.875 -1.918 1.00 0.00 C ATOM 281 CG2 VAL A 14 -4.483 -1.982 -2.826 1.00 0.00 C ATOM 0 H VAL A 14 -5.393 -1.262 0.014 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.832 -3.930 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.440 -1.226 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.775 -2.250 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.740 -3.022 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.535 -3.841 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.928 -1.359 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.694 -2.947 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.421 -1.491 -2.568 1.00 0.00 H new ATOM 291 N PHE A 15 -3.288 -2.661 1.490 1.00 0.00 N ATOM 292 CA PHE A 15 -2.404 -3.014 2.636 1.00 0.00 C ATOM 293 C PHE A 15 -3.027 -4.168 3.417 1.00 0.00 C ATOM 294 O PHE A 15 -2.345 -5.037 3.919 1.00 0.00 O ATOM 295 CB PHE A 15 -2.245 -1.800 3.554 1.00 0.00 C ATOM 296 CG PHE A 15 -1.185 -2.088 4.591 1.00 0.00 C ATOM 297 CD1 PHE A 15 -1.504 -2.847 5.724 1.00 0.00 C ATOM 298 CD2 PHE A 15 0.114 -1.597 4.419 1.00 0.00 C ATOM 299 CE1 PHE A 15 -0.522 -3.114 6.686 1.00 0.00 C ATOM 300 CE2 PHE A 15 1.095 -1.865 5.381 1.00 0.00 C ATOM 301 CZ PHE A 15 0.777 -2.623 6.514 1.00 0.00 C ATOM 0 H PHE A 15 -3.682 -1.721 1.523 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.425 -3.313 2.263 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.968 -0.923 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.193 -1.572 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.507 -3.226 5.856 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.359 -1.012 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.767 -3.699 7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.098 -1.487 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.535 -2.829 7.256 1.00 0.00 H new ATOM 311 N LYS A 16 -4.322 -4.179 3.522 1.00 0.00 N ATOM 312 CA LYS A 16 -5.003 -5.273 4.270 1.00 0.00 C ATOM 313 C LYS A 16 -4.747 -6.606 3.567 1.00 0.00 C ATOM 314 O LYS A 16 -4.794 -7.659 4.171 1.00 0.00 O ATOM 315 CB LYS A 16 -6.509 -5.003 4.314 1.00 0.00 C ATOM 316 CG LYS A 16 -6.822 -4.035 5.457 1.00 0.00 C ATOM 317 CD LYS A 16 -8.284 -4.201 5.879 1.00 0.00 C ATOM 318 CE LYS A 16 -9.178 -4.189 4.638 1.00 0.00 C ATOM 319 NZ LYS A 16 -10.607 -4.120 5.055 1.00 0.00 N ATOM 0 H LYS A 16 -4.943 -3.476 3.122 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.612 -5.315 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.841 -4.581 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.053 -5.937 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.163 -4.230 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.638 -3.009 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.412 -5.136 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.572 -3.396 6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.931 -3.335 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.005 -5.086 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.215 -4.112 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.838 -4.948 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.767 -3.252 5.605 1.00 0.00 H new ATOM 333 N LYS A 17 -4.480 -6.567 2.293 1.00 0.00 N ATOM 334 CA LYS A 17 -4.222 -7.830 1.546 1.00 0.00 C ATOM 335 C LYS A 17 -2.879 -8.414 1.972 1.00 0.00 C ATOM 336 O LYS A 17 -2.748 -9.599 2.204 1.00 0.00 O ATOM 337 CB LYS A 17 -4.202 -7.544 0.043 1.00 0.00 C ATOM 338 CG LYS A 17 -3.853 -8.827 -0.714 1.00 0.00 C ATOM 339 CD LYS A 17 -3.980 -8.583 -2.219 1.00 0.00 C ATOM 340 CE LYS A 17 -4.465 -9.863 -2.904 1.00 0.00 C ATOM 341 NZ LYS A 17 -3.312 -10.787 -3.099 1.00 0.00 N ATOM 0 H LYS A 17 -4.429 -5.715 1.735 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.013 -8.546 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.174 -7.171 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.472 -6.767 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.838 -9.141 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.518 -9.634 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.680 -7.769 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.018 -8.279 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.233 -10.344 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.921 -9.624 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.640 -11.657 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.594 -10.326 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.897 -11.024 -2.175 1.00 0.00 H new ATOM 355 N ILE A 18 -1.881 -7.589 2.074 1.00 0.00 N ATOM 356 CA ILE A 18 -0.539 -8.089 2.483 1.00 0.00 C ATOM 357 C ILE A 18 -0.598 -8.574 3.925 1.00 0.00 C ATOM 358 O ILE A 18 0.157 -9.432 4.329 1.00 0.00 O ATOM 359 CB ILE A 18 0.495 -6.969 2.352 1.00 0.00 C ATOM 360 CG1 ILE A 18 -0.023 -5.709 3.050 1.00 0.00 C ATOM 361 CG2 ILE A 18 0.735 -6.667 0.872 1.00 0.00 C ATOM 362 CD1 ILE A 18 1.107 -4.683 3.152 1.00 0.00 C ATOM 0 H ILE A 18 -1.934 -6.587 1.892 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.248 -8.916 1.835 1.00 0.00 H new ATOM 0 HB ILE A 18 1.430 -7.284 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.861 -5.290 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.394 -5.957 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.472 -5.869 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.105 -7.563 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.200 -6.354 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.739 -3.785 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.931 -5.105 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.457 -4.427 2.152 1.00 0.00 H new ATOM 374 N GLU A 19 -1.494 -8.046 4.703 1.00 0.00 N ATOM 375 CA GLU A 19 -1.594 -8.502 6.114 1.00 0.00 C ATOM 376 C GLU A 19 -1.751 -10.019 6.122 1.00 0.00 C ATOM 377 O GLU A 19 -1.138 -10.719 6.903 1.00 0.00 O ATOM 378 CB GLU A 19 -2.807 -7.853 6.785 1.00 0.00 C ATOM 379 CG GLU A 19 -2.511 -7.632 8.269 1.00 0.00 C ATOM 380 CD GLU A 19 -3.513 -6.632 8.849 1.00 0.00 C ATOM 381 OE1 GLU A 19 -4.544 -6.430 8.227 1.00 0.00 O ATOM 382 OE2 GLU A 19 -3.234 -6.087 9.903 1.00 0.00 O ATOM 0 H GLU A 19 -2.158 -7.323 4.427 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.696 -8.216 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.037 -6.903 6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.684 -8.490 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.573 -8.578 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.495 -7.259 8.396 1.00 0.00 H new ATOM 389 N LYS A 20 -2.558 -10.527 5.238 1.00 0.00 N ATOM 390 CA LYS A 20 -2.761 -12.001 5.166 1.00 0.00 C ATOM 391 C LYS A 20 -1.505 -12.648 4.588 1.00 0.00 C ATOM 392 O LYS A 20 -1.231 -13.811 4.805 1.00 0.00 O ATOM 393 CB LYS A 20 -3.956 -12.312 4.262 1.00 0.00 C ATOM 394 CG LYS A 20 -5.223 -12.426 5.109 1.00 0.00 C ATOM 395 CD LYS A 20 -5.597 -11.048 5.657 1.00 0.00 C ATOM 396 CE LYS A 20 -5.266 -10.985 7.149 1.00 0.00 C ATOM 397 NZ LYS A 20 -6.517 -11.152 7.940 1.00 0.00 N ATOM 0 H LYS A 20 -3.090 -9.984 4.558 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.954 -12.394 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.075 -11.526 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.783 -13.242 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.040 -12.824 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.062 -13.124 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.053 -10.271 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.659 -10.859 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.552 -11.767 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.796 -10.031 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.294 -11.109 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.184 -10.391 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.948 -12.072 7.718 1.00 0.00 H new ATOM 411 N ALA A 21 -0.737 -11.893 3.856 1.00 0.00 N ATOM 412 CA ALA A 21 0.510 -12.449 3.261 1.00 0.00 C ATOM 413 C ALA A 21 1.698 -12.087 4.154 1.00 0.00 C ATOM 414 O ALA A 21 2.805 -12.543 3.947 1.00 0.00 O ATOM 415 CB ALA A 21 0.718 -11.857 1.867 1.00 0.00 C ATOM 0 H ALA A 21 -0.919 -10.912 3.643 1.00 0.00 H new ATOM 0 HA ALA A 21 0.428 -13.533 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.631 -12.264 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.131 -12.112 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.803 -10.773 1.941 1.00 0.00 H new ATOM 421 N GLY A 22 1.476 -11.268 5.146 1.00 0.00 N ATOM 422 CA GLY A 22 2.592 -10.875 6.053 1.00 0.00 C ATOM 423 C GLY A 22 2.341 -11.456 7.447 1.00 0.00 C ATOM 424 O GLY A 22 1.680 -10.841 8.261 1.00 0.00 O ATOM 0 H GLY A 22 0.570 -10.854 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.541 -11.240 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.666 -9.789 6.107 1.00 0.00 H new ATOM 428 N PRO A 23 2.878 -12.627 7.677 1.00 0.00 N ATOM 429 CA PRO A 23 2.733 -13.327 8.966 1.00 0.00 C ATOM 430 C PRO A 23 3.674 -12.725 10.013 1.00 0.00 C ATOM 431 O PRO A 23 3.786 -13.219 11.117 1.00 0.00 O ATOM 432 CB PRO A 23 3.130 -14.768 8.637 1.00 0.00 C ATOM 433 CG PRO A 23 4.007 -14.699 7.364 1.00 0.00 C ATOM 434 CD PRO A 23 3.678 -13.361 6.676 1.00 0.00 C ATOM 0 HA PRO A 23 1.729 -13.251 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.680 -15.218 9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.248 -15.385 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.065 -14.754 7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.795 -15.538 6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.584 -12.815 6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.118 -13.514 5.753 1.00 0.00 H new ATOM 442 N LYS A 24 4.352 -11.662 9.676 1.00 0.00 N ATOM 443 CA LYS A 24 5.283 -11.032 10.654 1.00 0.00 C ATOM 444 C LYS A 24 4.523 -10.692 11.938 1.00 0.00 C ATOM 445 O LYS A 24 5.109 -10.470 12.979 1.00 0.00 O ATOM 446 CB LYS A 24 5.866 -9.752 10.052 1.00 0.00 C ATOM 447 CG LYS A 24 7.366 -9.935 9.817 1.00 0.00 C ATOM 448 CD LYS A 24 8.121 -8.723 10.368 1.00 0.00 C ATOM 449 CE LYS A 24 8.477 -8.967 11.835 1.00 0.00 C ATOM 450 NZ LYS A 24 7.531 -8.215 12.708 1.00 0.00 N ATOM 0 H LYS A 24 4.301 -11.203 8.766 1.00 0.00 H new ATOM 0 HA LYS A 24 6.091 -11.726 10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.366 -9.519 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.692 -8.910 10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.713 -10.846 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.567 -10.048 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.027 -8.551 9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.508 -7.827 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.427 -10.032 12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.501 -8.647 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.964 -8.066 13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.316 -7.294 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.652 -8.760 12.817 1.00 0.00 H new ATOM 464 N TRP A 25 3.221 -10.648 11.870 1.00 0.00 N ATOM 465 CA TRP A 25 2.420 -10.321 13.082 1.00 0.00 C ATOM 466 C TRP A 25 2.522 -11.467 14.092 1.00 0.00 C ATOM 467 O TRP A 25 2.127 -11.339 15.233 1.00 0.00 O ATOM 468 CB TRP A 25 0.956 -10.121 12.685 1.00 0.00 C ATOM 469 CG TRP A 25 0.553 -8.710 12.966 1.00 0.00 C ATOM 470 CD1 TRP A 25 0.101 -7.831 12.041 1.00 0.00 C ATOM 471 CD2 TRP A 25 0.558 -7.999 14.237 1.00 0.00 C ATOM 472 NE1 TRP A 25 -0.172 -6.627 12.665 1.00 0.00 N ATOM 473 CE2 TRP A 25 0.093 -6.681 14.019 1.00 0.00 C ATOM 474 CE3 TRP A 25 0.916 -8.368 15.547 1.00 0.00 C ATOM 475 CZ2 TRP A 25 -0.012 -5.761 15.062 1.00 0.00 C ATOM 476 CZ3 TRP A 25 0.812 -7.444 16.599 1.00 0.00 C ATOM 477 CH2 TRP A 25 0.350 -6.143 16.357 1.00 0.00 C ATOM 0 H TRP A 25 2.677 -10.825 11.026 1.00 0.00 H new ATOM 0 HA TRP A 25 2.805 -9.407 13.534 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.821 -10.345 11.627 1.00 0.00 H new ATOM 0 HB3 TRP A 25 0.320 -10.810 13.241 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.026 -8.036 10.988 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.526 -5.800 12.184 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.273 -9.368 15.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.371 -4.760 14.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.090 -7.737 17.601 1.00 0.00 H new ATOM 0 HH2 TRP A 25 0.274 -5.436 17.170 1.00 0.00 H new ATOM 488 N LYS A 26 3.046 -12.590 13.680 1.00 0.00 N ATOM 489 CA LYS A 26 3.169 -13.743 14.617 1.00 0.00 C ATOM 490 C LYS A 26 4.404 -13.557 15.503 1.00 0.00 C ATOM 491 O LYS A 26 4.708 -14.386 16.338 1.00 0.00 O ATOM 492 CB LYS A 26 3.308 -15.038 13.815 1.00 0.00 C ATOM 493 CG LYS A 26 2.941 -16.230 14.701 1.00 0.00 C ATOM 494 CD LYS A 26 2.446 -17.383 13.826 1.00 0.00 C ATOM 495 CE LYS A 26 3.627 -18.276 13.441 1.00 0.00 C ATOM 496 NZ LYS A 26 3.676 -18.424 11.960 1.00 0.00 N ATOM 0 H LYS A 26 3.394 -12.758 12.736 1.00 0.00 H new ATOM 0 HA LYS A 26 2.279 -13.796 15.244 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.658 -15.008 12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.329 -15.144 13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.808 -16.546 15.281 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.168 -15.943 15.414 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.696 -17.965 14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.965 -16.992 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.558 -17.842 13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.526 -19.254 13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.479 -19.031 11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.791 -18.856 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.792 -17.488 11.521 1.00 0.00 H new ATOM 510 N VAL A 27 5.118 -12.478 15.330 1.00 0.00 N ATOM 511 CA VAL A 27 6.331 -12.247 16.163 1.00 0.00 C ATOM 512 C VAL A 27 5.923 -12.096 17.628 1.00 0.00 C ATOM 513 O VAL A 27 6.649 -12.469 18.529 1.00 0.00 O ATOM 514 CB VAL A 27 7.038 -10.975 15.694 1.00 0.00 C ATOM 515 CG1 VAL A 27 6.071 -9.793 15.772 1.00 0.00 C ATOM 516 CG2 VAL A 27 8.247 -10.704 16.593 1.00 0.00 C ATOM 0 H VAL A 27 4.913 -11.747 14.648 1.00 0.00 H new ATOM 0 HA VAL A 27 7.008 -13.095 16.062 1.00 0.00 H new ATOM 0 HB VAL A 27 7.370 -11.104 14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.576 -8.887 15.437 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.209 -9.985 15.133 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.737 -9.663 16.802 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.752 -9.797 16.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.913 -10.576 17.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.938 -11.545 16.537 1.00 0.00 H new ATOM 526 N PHE A 28 4.768 -11.551 17.870 1.00 0.00 N ATOM 527 CA PHE A 28 4.305 -11.371 19.275 1.00 0.00 C ATOM 528 C PHE A 28 4.164 -12.737 19.944 1.00 0.00 C ATOM 529 O PHE A 28 4.297 -12.871 21.145 1.00 0.00 O ATOM 530 CB PHE A 28 2.952 -10.657 19.281 1.00 0.00 C ATOM 531 CG PHE A 28 3.160 -9.185 19.546 1.00 0.00 C ATOM 532 CD1 PHE A 28 4.355 -8.565 19.163 1.00 0.00 C ATOM 533 CD2 PHE A 28 2.155 -8.439 20.174 1.00 0.00 C ATOM 534 CE1 PHE A 28 4.546 -7.199 19.408 1.00 0.00 C ATOM 535 CE2 PHE A 28 2.346 -7.073 20.419 1.00 0.00 C ATOM 536 CZ PHE A 28 3.541 -6.454 20.036 1.00 0.00 C ATOM 0 H PHE A 28 4.120 -11.220 17.155 1.00 0.00 H new ATOM 0 HA PHE A 28 5.033 -10.772 19.822 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.450 -10.798 18.323 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.305 -11.087 20.046 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.130 -9.140 18.678 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.233 -8.917 20.469 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.468 -6.721 19.112 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.571 -6.498 20.903 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.688 -5.401 20.225 1.00 0.00 H new ATOM 546 N LYS A 29 3.899 -13.753 19.174 1.00 0.00 N ATOM 547 CA LYS A 29 3.750 -15.115 19.760 1.00 0.00 C ATOM 548 C LYS A 29 5.127 -15.649 20.149 1.00 0.00 C ATOM 549 O LYS A 29 5.257 -16.503 21.004 1.00 0.00 O ATOM 550 CB LYS A 29 3.111 -16.048 18.729 1.00 0.00 C ATOM 551 CG LYS A 29 1.627 -16.226 19.054 1.00 0.00 C ATOM 552 CD LYS A 29 0.795 -15.283 18.183 1.00 0.00 C ATOM 553 CE LYS A 29 -0.619 -15.845 18.024 1.00 0.00 C ATOM 554 NZ LYS A 29 -1.522 -15.207 19.023 1.00 0.00 N ATOM 0 H LYS A 29 3.779 -13.700 18.162 1.00 0.00 H new ATOM 0 HA LYS A 29 3.114 -15.066 20.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.228 -15.635 17.727 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.614 -17.015 18.736 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.327 -17.259 18.878 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.448 -16.017 20.109 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.755 -14.293 18.637 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.263 -15.167 17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.985 -15.657 17.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.610 -16.926 18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.483 -15.589 18.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.175 -15.408 19.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.539 -14.179 18.869 1.00 0.00 H new ATOM 568 N LYS A 30 6.157 -15.148 19.529 1.00 0.00 N ATOM 569 CA LYS A 30 7.532 -15.617 19.859 1.00 0.00 C ATOM 570 C LYS A 30 7.824 -15.332 21.330 1.00 0.00 C ATOM 571 O LYS A 30 8.565 -16.044 21.979 1.00 0.00 O ATOM 572 CB LYS A 30 8.546 -14.880 18.982 1.00 0.00 C ATOM 573 CG LYS A 30 9.905 -15.578 19.072 1.00 0.00 C ATOM 574 CD LYS A 30 10.950 -14.593 19.600 1.00 0.00 C ATOM 575 CE LYS A 30 12.279 -15.321 19.802 1.00 0.00 C ATOM 576 NZ LYS A 30 13.065 -14.636 20.868 1.00 0.00 N ATOM 0 H LYS A 30 6.107 -14.431 18.805 1.00 0.00 H new ATOM 0 HA LYS A 30 7.607 -16.689 19.675 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.203 -14.862 17.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.636 -13.843 19.306 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.839 -16.443 19.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.202 -15.948 18.091 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.077 -13.770 18.897 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.614 -14.159 20.542 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.098 -16.360 20.079 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.844 -15.334 18.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.969 -15.131 21.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.249 -13.652 20.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.526 -14.646 21.757 1.00 0.00 H new ATOM 590 N ILE A 31 7.245 -14.295 21.857 1.00 0.00 N ATOM 591 CA ILE A 31 7.479 -13.949 23.287 1.00 0.00 C ATOM 592 C ILE A 31 6.866 -15.027 24.178 1.00 0.00 C ATOM 593 O ILE A 31 7.402 -15.375 25.213 1.00 0.00 O ATOM 594 CB ILE A 31 6.830 -12.600 23.595 1.00 0.00 C ATOM 595 CG1 ILE A 31 7.634 -11.485 22.920 1.00 0.00 C ATOM 596 CG2 ILE A 31 6.811 -12.374 25.107 1.00 0.00 C ATOM 597 CD1 ILE A 31 7.040 -10.127 23.296 1.00 0.00 C ATOM 0 H ILE A 31 6.615 -13.667 21.358 1.00 0.00 H new ATOM 0 HA ILE A 31 8.550 -13.888 23.478 1.00 0.00 H new ATOM 0 HB ILE A 31 5.808 -12.593 23.217 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.678 -11.536 23.231 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.617 -11.614 21.838 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.348 -11.412 25.325 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.240 -13.169 25.587 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.832 -12.380 25.489 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.613 -9.334 22.815 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.003 -10.079 22.963 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.080 -9.999 24.378 1.00 0.00 H new ATOM 609 N GLU A 32 5.747 -15.553 23.783 1.00 0.00 N ATOM 610 CA GLU A 32 5.085 -16.610 24.599 1.00 0.00 C ATOM 611 C GLU A 32 6.006 -17.823 24.710 1.00 0.00 C ATOM 612 O GLU A 32 5.963 -18.564 25.673 1.00 0.00 O ATOM 613 CB GLU A 32 3.770 -17.022 23.932 1.00 0.00 C ATOM 614 CG GLU A 32 2.984 -17.936 24.875 1.00 0.00 C ATOM 615 CD GLU A 32 1.820 -18.574 24.114 1.00 0.00 C ATOM 616 OE1 GLU A 32 2.026 -18.969 22.978 1.00 0.00 O ATOM 617 OE2 GLU A 32 0.743 -18.656 24.681 1.00 0.00 O ATOM 0 H GLU A 32 5.256 -15.298 22.926 1.00 0.00 H new ATOM 0 HA GLU A 32 4.879 -16.222 25.596 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.180 -16.138 23.690 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.972 -17.538 22.993 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.638 -18.710 25.277 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.608 -17.364 25.723 1.00 0.00 H new ATOM 624 N LYS A 33 6.837 -18.033 23.732 1.00 0.00 N ATOM 625 CA LYS A 33 7.763 -19.199 23.775 1.00 0.00 C ATOM 626 C LYS A 33 9.139 -18.744 24.266 1.00 0.00 C ATOM 627 O LYS A 33 9.981 -18.349 23.485 1.00 0.00 O ATOM 628 CB LYS A 33 7.893 -19.797 22.372 1.00 0.00 C ATOM 629 CG LYS A 33 8.148 -21.302 22.480 1.00 0.00 C ATOM 630 CD LYS A 33 7.444 -22.023 21.328 1.00 0.00 C ATOM 631 CE LYS A 33 8.469 -22.834 20.533 1.00 0.00 C ATOM 632 NZ LYS A 33 7.786 -23.522 19.400 1.00 0.00 N ATOM 0 H LYS A 33 6.917 -17.447 22.901 1.00 0.00 H new ATOM 0 HA LYS A 33 7.367 -19.952 24.457 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.984 -19.612 21.800 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.711 -19.317 21.835 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.219 -21.503 22.449 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.781 -21.676 23.436 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.667 -22.681 21.717 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.953 -21.299 20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.253 -22.178 20.155 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.951 -23.567 21.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.482 -24.074 18.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.053 -24.159 19.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.346 -22.814 18.778 1.00 0.00 H new HETATM 646 N NH2 A 34 9.404 -18.785 25.544 1.00 0.00 N TER 649 NH2 A 34