USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) 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+ -113:sc= -1.93! (180deg=-4.66!) 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+ 180:sc= 0 (180deg=0) 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+ -164:sc= 0 (180deg=-0.195) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.323 18.738 -3.887 1.00 0.00 N ATOM 2 CA LYS A 1 -7.065 17.716 -4.680 1.00 0.00 C ATOM 3 C LYS A 1 -7.479 16.562 -3.765 1.00 0.00 C ATOM 4 O LYS A 1 -6.656 15.791 -3.310 1.00 0.00 O ATOM 5 CB LYS A 1 -6.163 17.184 -5.796 1.00 0.00 C ATOM 6 CG LYS A 1 -6.979 17.023 -7.080 1.00 0.00 C ATOM 7 CD LYS A 1 -6.252 17.711 -8.237 1.00 0.00 C ATOM 8 CE LYS A 1 -5.815 16.662 -9.262 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.377 16.863 -9.595 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.041 19.523 -4.509 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.935 19.100 -3.128 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.474 18.305 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.955 18.170 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.332 17.869 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.732 16.226 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.121 15.966 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.970 17.457 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.907 18.444 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.384 18.254 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.970 15.660 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.423 16.743 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.079 16.151 -10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.243 17.814 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.804 16.765 -8.733 1.00 0.00 H new ATOM 25 N TRP A 2 -8.747 16.437 -3.490 1.00 0.00 N ATOM 26 CA TRP A 2 -9.213 15.333 -2.605 1.00 0.00 C ATOM 27 C TRP A 2 -9.065 13.997 -3.335 1.00 0.00 C ATOM 28 O TRP A 2 -9.152 12.941 -2.741 1.00 0.00 O ATOM 29 CB TRP A 2 -10.683 15.557 -2.244 1.00 0.00 C ATOM 30 CG TRP A 2 -11.098 14.565 -1.206 1.00 0.00 C ATOM 31 CD1 TRP A 2 -10.489 14.391 -0.010 1.00 0.00 C ATOM 32 CD2 TRP A 2 -12.199 13.611 -1.247 1.00 0.00 C ATOM 33 NE1 TRP A 2 -11.145 13.391 0.685 1.00 0.00 N ATOM 34 CE2 TRP A 2 -12.206 12.878 -0.037 1.00 0.00 C ATOM 35 CE3 TRP A 2 -13.181 13.312 -2.208 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -13.154 11.885 0.212 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -14.137 12.313 -1.961 1.00 0.00 C ATOM 38 CH2 TRP A 2 -14.123 11.602 -0.754 1.00 0.00 C ATOM 0 H TRP A 2 -9.482 17.052 -3.840 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.613 15.318 -1.695 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.826 16.571 -1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -11.307 15.453 -3.132 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -9.631 14.943 0.344 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -10.878 13.071 1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -13.200 13.854 -3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -13.139 11.339 1.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -14.887 12.092 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -14.861 10.835 -0.570 1.00 0.00 H new ATOM 49 N LYS A 3 -8.840 14.034 -4.620 1.00 0.00 N ATOM 50 CA LYS A 3 -8.685 12.767 -5.386 1.00 0.00 C ATOM 51 C LYS A 3 -7.402 12.065 -4.950 1.00 0.00 C ATOM 52 O LYS A 3 -7.265 10.862 -5.067 1.00 0.00 O ATOM 53 CB LYS A 3 -8.615 13.075 -6.884 1.00 0.00 C ATOM 54 CG LYS A 3 -9.522 14.266 -7.204 1.00 0.00 C ATOM 55 CD LYS A 3 -10.428 13.915 -8.385 1.00 0.00 C ATOM 56 CE LYS A 3 -11.554 12.996 -7.909 1.00 0.00 C ATOM 57 NZ LYS A 3 -12.187 12.335 -9.084 1.00 0.00 N ATOM 0 H LYS A 3 -8.757 14.888 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.540 12.120 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.588 13.299 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.925 12.203 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.125 14.522 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.919 15.142 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.845 14.823 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.850 13.424 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.160 12.245 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.298 13.571 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.953 11.710 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.577 13.059 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.474 11.774 -9.592 1.00 0.00 H new ATOM 71 N VAL A 4 -6.459 12.808 -4.446 1.00 0.00 N ATOM 72 CA VAL A 4 -5.180 12.191 -3.997 1.00 0.00 C ATOM 73 C VAL A 4 -5.469 11.158 -2.910 1.00 0.00 C ATOM 74 O VAL A 4 -4.779 10.167 -2.777 1.00 0.00 O ATOM 75 CB VAL A 4 -4.256 13.276 -3.439 1.00 0.00 C ATOM 76 CG1 VAL A 4 -2.910 12.655 -3.061 1.00 0.00 C ATOM 77 CG2 VAL A 4 -4.039 14.354 -4.503 1.00 0.00 C ATOM 0 H VAL A 4 -6.518 13.819 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.695 11.703 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.711 13.722 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.252 13.428 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.064 11.885 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.454 12.209 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.381 15.128 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.583 13.907 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.998 14.796 -4.774 1.00 0.00 H new ATOM 87 N PHE A 5 -6.487 11.386 -2.133 1.00 0.00 N ATOM 88 CA PHE A 5 -6.832 10.421 -1.051 1.00 0.00 C ATOM 89 C PHE A 5 -7.200 9.075 -1.665 1.00 0.00 C ATOM 90 O PHE A 5 -7.021 8.036 -1.063 1.00 0.00 O ATOM 91 CB PHE A 5 -8.016 10.958 -0.243 1.00 0.00 C ATOM 92 CG PHE A 5 -7.514 11.917 0.810 1.00 0.00 C ATOM 93 CD1 PHE A 5 -7.094 13.201 0.444 1.00 0.00 C ATOM 94 CD2 PHE A 5 -7.469 11.522 2.152 1.00 0.00 C ATOM 95 CE1 PHE A 5 -6.629 14.090 1.420 1.00 0.00 C ATOM 96 CE2 PHE A 5 -7.004 12.411 3.128 1.00 0.00 C ATOM 97 CZ PHE A 5 -6.584 13.695 2.763 1.00 0.00 C ATOM 0 H PHE A 5 -7.098 12.200 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.973 10.294 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.721 11.463 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.553 10.134 0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.129 13.506 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.793 10.531 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.305 15.081 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.969 12.106 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.225 14.381 3.516 1.00 0.00 H new ATOM 107 N LYS A 6 -7.709 9.084 -2.862 1.00 0.00 N ATOM 108 CA LYS A 6 -8.083 7.800 -3.514 1.00 0.00 C ATOM 109 C LYS A 6 -6.858 6.897 -3.564 1.00 0.00 C ATOM 110 O LYS A 6 -6.943 5.702 -3.365 1.00 0.00 O ATOM 111 CB LYS A 6 -8.592 8.065 -4.932 1.00 0.00 C ATOM 112 CG LYS A 6 -10.030 8.583 -4.868 1.00 0.00 C ATOM 113 CD LYS A 6 -10.945 7.489 -4.316 1.00 0.00 C ATOM 114 CE LYS A 6 -12.405 7.869 -4.565 1.00 0.00 C ATOM 115 NZ LYS A 6 -13.253 6.644 -4.515 1.00 0.00 N ATOM 0 H LYS A 6 -7.882 9.922 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.875 7.315 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.953 8.795 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.550 7.150 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.081 9.468 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.364 8.883 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.720 6.536 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.770 7.358 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.738 8.586 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.505 8.354 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.246 6.902 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.940 5.975 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.166 6.199 -3.579 1.00 0.00 H new ATOM 129 N LYS A 7 -5.717 7.464 -3.807 1.00 0.00 N ATOM 130 CA LYS A 7 -4.480 6.644 -3.845 1.00 0.00 C ATOM 131 C LYS A 7 -4.185 6.170 -2.431 1.00 0.00 C ATOM 132 O LYS A 7 -3.662 5.096 -2.212 1.00 0.00 O ATOM 133 CB LYS A 7 -3.312 7.480 -4.374 1.00 0.00 C ATOM 134 CG LYS A 7 -3.419 7.604 -5.895 1.00 0.00 C ATOM 135 CD LYS A 7 -2.306 8.517 -6.413 1.00 0.00 C ATOM 136 CE LYS A 7 -2.002 8.174 -7.872 1.00 0.00 C ATOM 137 NZ LYS A 7 -3.049 8.767 -8.751 1.00 0.00 N ATOM 0 H LYS A 7 -5.585 8.460 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.615 5.789 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.323 8.469 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.365 7.014 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.341 6.620 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.393 8.009 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.609 9.561 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.409 8.396 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.020 8.557 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.972 7.092 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.842 8.534 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.979 8.382 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.057 9.800 -8.633 1.00 0.00 H new ATOM 151 N ILE A 8 -4.543 6.965 -1.470 1.00 0.00 N ATOM 152 CA ILE A 8 -4.321 6.577 -0.055 1.00 0.00 C ATOM 153 C ILE A 8 -5.344 5.509 0.301 1.00 0.00 C ATOM 154 O ILE A 8 -5.091 4.613 1.083 1.00 0.00 O ATOM 155 CB ILE A 8 -4.513 7.797 0.847 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.306 8.728 0.705 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.645 7.343 2.302 1.00 0.00 C ATOM 158 CD1 ILE A 8 -2.095 8.107 1.404 1.00 0.00 C ATOM 0 H ILE A 8 -4.984 7.875 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.309 6.196 0.083 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.418 8.329 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.084 8.895 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.531 9.701 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.782 8.213 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.505 6.681 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.742 6.811 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.236 8.771 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.319 7.963 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.866 7.144 0.947 1.00 0.00 H new ATOM 170 N GLU A 9 -6.502 5.607 -0.279 1.00 0.00 N ATOM 171 CA GLU A 9 -7.571 4.609 -0.001 1.00 0.00 C ATOM 172 C GLU A 9 -7.143 3.248 -0.539 1.00 0.00 C ATOM 173 O GLU A 9 -7.234 2.241 0.133 1.00 0.00 O ATOM 174 CB GLU A 9 -8.870 5.045 -0.682 1.00 0.00 C ATOM 175 CG GLU A 9 -9.532 6.154 0.139 1.00 0.00 C ATOM 176 CD GLU A 9 -10.950 6.395 -0.379 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.552 5.452 -0.864 1.00 0.00 O ATOM 178 OE2 GLU A 9 -11.411 7.521 -0.282 1.00 0.00 O ATOM 0 H GLU A 9 -6.758 6.341 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.735 4.540 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.662 5.400 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.546 4.195 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.561 5.874 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.947 7.071 0.069 1.00 0.00 H new ATOM 185 N LYS A 10 -6.674 3.217 -1.749 1.00 0.00 N ATOM 186 CA LYS A 10 -6.231 1.926 -2.346 1.00 0.00 C ATOM 187 C LYS A 10 -5.012 1.412 -1.583 1.00 0.00 C ATOM 188 O LYS A 10 -4.709 0.236 -1.592 1.00 0.00 O ATOM 189 CB LYS A 10 -5.863 2.141 -3.816 1.00 0.00 C ATOM 190 CG LYS A 10 -7.050 2.763 -4.554 1.00 0.00 C ATOM 191 CD LYS A 10 -6.538 3.626 -5.709 1.00 0.00 C ATOM 192 CE LYS A 10 -5.816 2.741 -6.727 1.00 0.00 C ATOM 193 NZ LYS A 10 -4.663 3.489 -7.305 1.00 0.00 N ATOM 0 H LYS A 10 -6.576 4.031 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.038 1.196 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.992 2.792 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.592 1.191 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.706 1.980 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.641 3.369 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.370 4.144 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.860 4.392 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.467 1.827 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.504 2.443 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.171 2.888 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.008 4.349 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.004 3.752 -6.545 1.00 0.00 H new ATOM 207 N LYS A 11 -4.316 2.287 -0.915 1.00 0.00 N ATOM 208 CA LYS A 11 -3.120 1.859 -0.140 1.00 0.00 C ATOM 209 C LYS A 11 -3.576 1.193 1.155 1.00 0.00 C ATOM 210 O LYS A 11 -2.901 0.346 1.705 1.00 0.00 O ATOM 211 CB LYS A 11 -2.256 3.079 0.186 1.00 0.00 C ATOM 212 CG LYS A 11 -0.803 2.640 0.377 1.00 0.00 C ATOM 213 CD LYS A 11 -0.066 2.718 -0.962 1.00 0.00 C ATOM 214 CE LYS A 11 0.178 1.305 -1.494 1.00 0.00 C ATOM 215 NZ LYS A 11 1.293 1.333 -2.482 1.00 0.00 N ATOM 0 H LYS A 11 -4.525 3.284 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.534 1.153 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.323 3.811 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.622 3.566 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.313 3.278 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.768 1.622 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.653 3.292 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.883 3.240 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.423 0.632 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.728 0.920 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.460 0.373 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.042 1.962 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.157 1.684 -2.021 1.00 0.00 H new ATOM 229 N TRP A 12 -4.719 1.575 1.644 1.00 0.00 N ATOM 230 CA TRP A 12 -5.232 0.973 2.906 1.00 0.00 C ATOM 231 C TRP A 12 -5.948 -0.338 2.593 1.00 0.00 C ATOM 232 O TRP A 12 -5.615 -1.383 3.113 1.00 0.00 O ATOM 233 CB TRP A 12 -6.210 1.942 3.574 1.00 0.00 C ATOM 234 CG TRP A 12 -5.609 2.466 4.839 1.00 0.00 C ATOM 235 CD1 TRP A 12 -6.306 2.812 5.946 1.00 0.00 C ATOM 236 CD2 TRP A 12 -4.206 2.710 5.146 1.00 0.00 C ATOM 237 NE1 TRP A 12 -5.421 3.252 6.912 1.00 0.00 N ATOM 238 CE2 TRP A 12 -4.114 3.208 6.467 1.00 0.00 C ATOM 239 CE3 TRP A 12 -3.016 2.549 4.415 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -2.886 3.535 7.043 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -1.777 2.877 4.990 1.00 0.00 C ATOM 242 CH2 TRP A 12 -1.712 3.369 6.301 1.00 0.00 C ATOM 0 H TRP A 12 -5.324 2.281 1.224 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.397 0.778 3.579 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.439 2.767 2.899 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.151 1.435 3.789 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.379 2.754 6.057 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.699 3.570 7.840 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.055 2.170 3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.842 3.913 8.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.869 2.749 4.419 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.757 3.620 6.738 1.00 0.00 H new ATOM 253 N LYS A 13 -6.929 -0.283 1.744 1.00 0.00 N ATOM 254 CA LYS A 13 -7.681 -1.520 1.387 1.00 0.00 C ATOM 255 C LYS A 13 -6.714 -2.553 0.811 1.00 0.00 C ATOM 256 O LYS A 13 -6.954 -3.743 0.864 1.00 0.00 O ATOM 257 CB LYS A 13 -8.752 -1.185 0.347 1.00 0.00 C ATOM 258 CG LYS A 13 -10.137 -1.458 0.936 1.00 0.00 C ATOM 259 CD LYS A 13 -10.575 -0.265 1.788 1.00 0.00 C ATOM 260 CE LYS A 13 -10.253 -0.540 3.258 1.00 0.00 C ATOM 261 NZ LYS A 13 -9.158 0.366 3.705 1.00 0.00 N ATOM 0 H LYS A 13 -7.247 0.567 1.278 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.158 -1.926 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.671 -0.139 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.602 -1.784 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.857 -1.630 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.113 -2.363 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.064 0.639 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.644 -0.090 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.141 -0.385 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.954 -1.580 3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.306 -0.194 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.948 1.054 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.455 0.872 4.564 1.00 0.00 H new ATOM 275 N VAL A 14 -5.619 -2.107 0.267 1.00 0.00 N ATOM 276 CA VAL A 14 -4.630 -3.060 -0.305 1.00 0.00 C ATOM 277 C VAL A 14 -3.688 -3.528 0.801 1.00 0.00 C ATOM 278 O VAL A 14 -3.222 -4.650 0.807 1.00 0.00 O ATOM 279 CB VAL A 14 -3.823 -2.369 -1.408 1.00 0.00 C ATOM 280 CG1 VAL A 14 -2.860 -1.359 -0.782 1.00 0.00 C ATOM 281 CG2 VAL A 14 -3.026 -3.417 -2.188 1.00 0.00 C ATOM 0 H VAL A 14 -5.365 -1.122 0.193 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.153 -3.917 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.503 -1.850 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.286 -0.868 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.427 -0.612 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.180 -1.876 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.451 -2.926 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.347 -3.936 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.712 -4.137 -2.636 1.00 0.00 H new ATOM 291 N PHE A 15 -3.408 -2.670 1.739 1.00 0.00 N ATOM 292 CA PHE A 15 -2.497 -3.050 2.854 1.00 0.00 C ATOM 293 C PHE A 15 -3.105 -4.213 3.634 1.00 0.00 C ATOM 294 O PHE A 15 -2.413 -5.098 4.097 1.00 0.00 O ATOM 295 CB PHE A 15 -2.304 -1.853 3.787 1.00 0.00 C ATOM 296 CG PHE A 15 -1.372 -2.236 4.912 1.00 0.00 C ATOM 297 CD1 PHE A 15 -0.139 -2.835 4.627 1.00 0.00 C ATOM 298 CD2 PHE A 15 -1.740 -1.991 6.239 1.00 0.00 C ATOM 299 CE1 PHE A 15 0.724 -3.191 5.669 1.00 0.00 C ATOM 300 CE2 PHE A 15 -0.876 -2.345 7.283 1.00 0.00 C ATOM 301 CZ PHE A 15 0.356 -2.945 6.998 1.00 0.00 C ATOM 0 H PHE A 15 -3.772 -1.718 1.783 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.531 -3.351 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.894 -1.009 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.265 -1.534 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.146 -3.022 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.691 -1.529 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.674 -3.655 5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.160 -2.155 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.023 -3.218 7.803 1.00 0.00 H new ATOM 311 N LYS A 16 -4.396 -4.215 3.782 1.00 0.00 N ATOM 312 CA LYS A 16 -5.062 -5.316 4.532 1.00 0.00 C ATOM 313 C LYS A 16 -4.929 -6.618 3.744 1.00 0.00 C ATOM 314 O LYS A 16 -4.880 -7.695 4.304 1.00 0.00 O ATOM 315 CB LYS A 16 -6.543 -4.981 4.724 1.00 0.00 C ATOM 316 CG LYS A 16 -7.231 -6.121 5.477 1.00 0.00 C ATOM 317 CD LYS A 16 -8.714 -5.793 5.656 1.00 0.00 C ATOM 318 CE LYS A 16 -9.383 -5.688 4.284 1.00 0.00 C ATOM 319 NZ LYS A 16 -10.707 -6.371 4.322 1.00 0.00 N ATOM 0 H LYS A 16 -5.024 -3.500 3.415 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.589 -5.431 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.647 -4.049 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.021 -4.830 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.118 -7.055 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.760 -6.265 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.199 -6.567 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.827 -4.855 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.510 -4.641 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.749 -6.143 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.161 -6.299 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.574 -7.373 4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.311 -5.918 5.037 1.00 0.00 H new ATOM 333 N LYS A 17 -4.869 -6.524 2.448 1.00 0.00 N ATOM 334 CA LYS A 17 -4.735 -7.752 1.615 1.00 0.00 C ATOM 335 C LYS A 17 -3.339 -8.341 1.803 1.00 0.00 C ATOM 336 O LYS A 17 -3.152 -9.541 1.817 1.00 0.00 O ATOM 337 CB LYS A 17 -4.949 -7.398 0.142 1.00 0.00 C ATOM 338 CG LYS A 17 -4.595 -8.604 -0.730 1.00 0.00 C ATOM 339 CD LYS A 17 -5.662 -8.783 -1.812 1.00 0.00 C ATOM 340 CE LYS A 17 -5.010 -9.320 -3.088 1.00 0.00 C ATOM 341 NZ LYS A 17 -5.122 -10.806 -3.114 1.00 0.00 N ATOM 0 H LYS A 17 -4.907 -5.648 1.926 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.483 -8.484 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.986 -7.106 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.329 -6.544 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.617 -8.459 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.530 -9.503 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.433 -9.472 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.153 -7.831 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.496 -8.892 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.962 -9.023 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.679 -11.172 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.640 -11.205 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.125 -11.079 -3.096 1.00 0.00 H new ATOM 355 N ILE A 18 -2.359 -7.499 1.947 1.00 0.00 N ATOM 356 CA ILE A 18 -0.966 -7.994 2.137 1.00 0.00 C ATOM 357 C ILE A 18 -0.799 -8.517 3.555 1.00 0.00 C ATOM 358 O ILE A 18 -0.132 -9.501 3.790 1.00 0.00 O ATOM 359 CB ILE A 18 0.020 -6.851 1.894 1.00 0.00 C ATOM 360 CG1 ILE A 18 -0.077 -6.398 0.436 1.00 0.00 C ATOM 361 CG2 ILE A 18 1.442 -7.333 2.189 1.00 0.00 C ATOM 362 CD1 ILE A 18 1.101 -5.479 0.106 1.00 0.00 C ATOM 0 H ILE A 18 -2.460 -6.484 1.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.769 -8.800 1.430 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.221 -6.015 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.072 -7.264 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.018 -5.874 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.145 -6.519 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.509 -7.655 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.686 -8.169 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.031 -5.157 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.076 -4.607 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.036 -6.018 0.257 1.00 0.00 H new ATOM 374 N GLU A 19 -1.404 -7.870 4.500 1.00 0.00 N ATOM 375 CA GLU A 19 -1.279 -8.339 5.905 1.00 0.00 C ATOM 376 C GLU A 19 -1.577 -9.832 5.955 1.00 0.00 C ATOM 377 O GLU A 19 -0.921 -10.590 6.640 1.00 0.00 O ATOM 378 CB GLU A 19 -2.271 -7.584 6.792 1.00 0.00 C ATOM 379 CG GLU A 19 -1.638 -7.324 8.161 1.00 0.00 C ATOM 380 CD GLU A 19 -2.720 -7.369 9.241 1.00 0.00 C ATOM 381 OE1 GLU A 19 -3.101 -8.462 9.623 1.00 0.00 O ATOM 382 OE2 GLU A 19 -3.149 -6.309 9.668 1.00 0.00 O ATOM 0 H GLU A 19 -1.979 -7.038 4.365 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.268 -8.153 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.549 -6.640 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.186 -8.164 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.872 -8.072 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.144 -6.352 8.166 1.00 0.00 H new ATOM 389 N LYS A 20 -2.555 -10.261 5.215 1.00 0.00 N ATOM 390 CA LYS A 20 -2.899 -11.709 5.200 1.00 0.00 C ATOM 391 C LYS A 20 -1.777 -12.479 4.510 1.00 0.00 C ATOM 392 O LYS A 20 -1.547 -13.642 4.776 1.00 0.00 O ATOM 393 CB LYS A 20 -4.211 -11.918 4.439 1.00 0.00 C ATOM 394 CG LYS A 20 -4.780 -13.298 4.772 1.00 0.00 C ATOM 395 CD LYS A 20 -6.091 -13.508 4.012 1.00 0.00 C ATOM 396 CE LYS A 20 -6.297 -15.000 3.748 1.00 0.00 C ATOM 397 NZ LYS A 20 -5.845 -15.328 2.367 1.00 0.00 N ATOM 0 H LYS A 20 -3.134 -9.671 4.617 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.018 -12.070 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.928 -11.143 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.039 -11.833 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.063 -14.073 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.952 -13.383 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.926 -13.112 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.068 -12.961 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.738 -15.589 4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.349 -15.260 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.985 -16.343 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.397 -14.776 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.836 -15.095 2.267 1.00 0.00 H new ATOM 411 N ALA A 21 -1.071 -11.831 3.629 1.00 0.00 N ATOM 412 CA ALA A 21 0.047 -12.512 2.920 1.00 0.00 C ATOM 413 C ALA A 21 1.369 -12.162 3.608 1.00 0.00 C ATOM 414 O ALA A 21 2.406 -12.711 3.295 1.00 0.00 O ATOM 415 CB ALA A 21 0.090 -12.044 1.464 1.00 0.00 C ATOM 0 H ALA A 21 -1.220 -10.856 3.368 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.106 -13.591 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.909 -12.543 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.853 -12.290 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.245 -10.965 1.433 1.00 0.00 H new ATOM 421 N GLY A 22 1.337 -11.249 4.540 1.00 0.00 N ATOM 422 CA GLY A 22 2.591 -10.859 5.247 1.00 0.00 C ATOM 423 C GLY A 22 3.010 -11.979 6.209 1.00 0.00 C ATOM 424 O GLY A 22 2.318 -12.249 7.171 1.00 0.00 O ATOM 0 H GLY A 22 0.497 -10.756 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.385 -10.671 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.436 -9.932 5.798 1.00 0.00 H new ATOM 428 N PRO A 23 4.132 -12.596 5.928 1.00 0.00 N ATOM 429 CA PRO A 23 4.664 -13.687 6.763 1.00 0.00 C ATOM 430 C PRO A 23 5.360 -13.115 8.003 1.00 0.00 C ATOM 431 O PRO A 23 6.453 -13.516 8.353 1.00 0.00 O ATOM 432 CB PRO A 23 5.674 -14.381 5.846 1.00 0.00 C ATOM 433 CG PRO A 23 6.083 -13.339 4.779 1.00 0.00 C ATOM 434 CD PRO A 23 4.972 -12.271 4.758 1.00 0.00 C ATOM 0 HA PRO A 23 3.892 -14.364 7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.542 -14.720 6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.234 -15.262 5.380 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.046 -12.891 5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.189 -13.807 3.800 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.386 -11.265 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.398 -12.312 3.832 1.00 0.00 H new ATOM 442 N LYS A 24 4.737 -12.180 8.668 1.00 0.00 N ATOM 443 CA LYS A 24 5.362 -11.583 9.879 1.00 0.00 C ATOM 444 C LYS A 24 5.471 -12.646 10.974 1.00 0.00 C ATOM 445 O LYS A 24 6.111 -12.444 11.986 1.00 0.00 O ATOM 446 CB LYS A 24 4.498 -10.422 10.375 1.00 0.00 C ATOM 447 CG LYS A 24 4.959 -9.999 11.770 1.00 0.00 C ATOM 448 CD LYS A 24 4.607 -8.528 12.002 1.00 0.00 C ATOM 449 CE LYS A 24 5.684 -7.640 11.379 1.00 0.00 C ATOM 450 NZ LYS A 24 6.633 -7.193 12.437 1.00 0.00 N ATOM 0 H LYS A 24 3.821 -11.804 8.423 1.00 0.00 H new ATOM 0 HA LYS A 24 6.358 -11.215 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.571 -9.581 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.450 -10.721 10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.481 -10.622 12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.034 -10.146 11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.636 -8.302 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.528 -8.326 13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.219 -8.189 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.225 -6.776 10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.366 -6.589 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.117 -6.655 13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.080 -8.023 12.876 1.00 0.00 H new ATOM 464 N TRP A 25 4.854 -13.778 10.778 1.00 0.00 N ATOM 465 CA TRP A 25 4.926 -14.854 11.807 1.00 0.00 C ATOM 466 C TRP A 25 6.190 -15.686 11.584 1.00 0.00 C ATOM 467 O TRP A 25 6.587 -16.469 12.424 1.00 0.00 O ATOM 468 CB TRP A 25 3.694 -15.754 11.691 1.00 0.00 C ATOM 469 CG TRP A 25 3.140 -16.015 13.055 1.00 0.00 C ATOM 470 CD1 TRP A 25 2.984 -15.083 14.022 1.00 0.00 C ATOM 471 CD2 TRP A 25 2.667 -17.273 13.620 1.00 0.00 C ATOM 472 NE1 TRP A 25 2.446 -15.687 15.144 1.00 0.00 N ATOM 473 CE2 TRP A 25 2.233 -17.036 14.945 1.00 0.00 C ATOM 474 CE3 TRP A 25 2.575 -18.582 13.116 1.00 0.00 C ATOM 475 CZ2 TRP A 25 1.723 -18.062 15.743 1.00 0.00 C ATOM 476 CZ3 TRP A 25 2.063 -19.618 13.916 1.00 0.00 C ATOM 477 CH2 TRP A 25 1.639 -19.358 15.226 1.00 0.00 C ATOM 0 H TRP A 25 4.303 -14.005 9.950 1.00 0.00 H new ATOM 0 HA TRP A 25 4.956 -14.407 12.801 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.940 -15.278 11.065 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.961 -16.694 11.209 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.238 -14.037 13.933 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.233 -15.196 16.012 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.900 -18.793 12.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 1.396 -17.856 16.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.996 -20.620 13.519 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.247 -20.159 15.836 1.00 0.00 H new ATOM 488 N LYS A 26 6.827 -15.523 10.456 1.00 0.00 N ATOM 489 CA LYS A 26 8.065 -16.304 10.180 1.00 0.00 C ATOM 490 C LYS A 26 9.232 -15.342 9.945 1.00 0.00 C ATOM 491 O LYS A 26 10.382 -15.734 9.948 1.00 0.00 O ATOM 492 CB LYS A 26 7.857 -17.168 8.934 1.00 0.00 C ATOM 493 CG LYS A 26 8.833 -18.346 8.960 1.00 0.00 C ATOM 494 CD LYS A 26 8.178 -19.564 8.306 1.00 0.00 C ATOM 495 CE LYS A 26 9.211 -20.683 8.162 1.00 0.00 C ATOM 496 NZ LYS A 26 8.528 -22.004 8.245 1.00 0.00 N ATOM 0 H LYS A 26 6.543 -14.883 9.714 1.00 0.00 H new ATOM 0 HA LYS A 26 8.288 -16.945 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.831 -17.533 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.014 -16.572 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.750 -18.085 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.113 -18.578 9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.337 -19.906 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.779 -19.295 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.732 -20.591 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.963 -20.601 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.230 -22.765 8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.050 -22.090 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.826 -22.081 7.481 1.00 0.00 H new ATOM 510 N VAL A 27 8.944 -14.086 9.742 1.00 0.00 N ATOM 511 CA VAL A 27 10.036 -13.100 9.508 1.00 0.00 C ATOM 512 C VAL A 27 10.756 -12.814 10.825 1.00 0.00 C ATOM 513 O VAL A 27 11.942 -12.555 10.856 1.00 0.00 O ATOM 514 CB VAL A 27 9.443 -11.801 8.958 1.00 0.00 C ATOM 515 CG1 VAL A 27 8.665 -11.087 10.064 1.00 0.00 C ATOM 516 CG2 VAL A 27 10.575 -10.895 8.465 1.00 0.00 C ATOM 0 H VAL A 27 8.000 -13.700 9.728 1.00 0.00 H new ATOM 0 HA VAL A 27 10.745 -13.509 8.788 1.00 0.00 H new ATOM 0 HB VAL A 27 8.771 -12.029 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.243 -10.162 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.861 -11.732 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.337 -10.858 10.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.155 -9.969 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.246 -10.667 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.131 -11.403 7.677 1.00 0.00 H new ATOM 526 N PHE A 28 10.041 -12.859 11.911 1.00 0.00 N ATOM 527 CA PHE A 28 10.672 -12.589 13.233 1.00 0.00 C ATOM 528 C PHE A 28 11.761 -13.625 13.503 1.00 0.00 C ATOM 529 O PHE A 28 12.716 -13.369 14.207 1.00 0.00 O ATOM 530 CB PHE A 28 9.609 -12.667 14.331 1.00 0.00 C ATOM 531 CG PHE A 28 9.672 -11.420 15.180 1.00 0.00 C ATOM 532 CD1 PHE A 28 10.690 -11.271 16.130 1.00 0.00 C ATOM 533 CD2 PHE A 28 8.713 -10.414 15.018 1.00 0.00 C ATOM 534 CE1 PHE A 28 10.748 -10.115 16.918 1.00 0.00 C ATOM 535 CE2 PHE A 28 8.771 -9.258 15.805 1.00 0.00 C ATOM 536 CZ PHE A 28 9.788 -9.109 16.755 1.00 0.00 C ATOM 0 H PHE A 28 9.044 -13.072 11.942 1.00 0.00 H new ATOM 0 HA PHE A 28 11.115 -11.593 13.226 1.00 0.00 H new ATOM 0 HB2 PHE A 28 8.619 -12.768 13.887 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.773 -13.550 14.949 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.430 -12.048 16.255 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.928 -10.530 14.285 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.533 -9.999 17.651 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.031 -8.481 15.679 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.832 -8.217 17.363 1.00 0.00 H new ATOM 546 N LYS A 29 11.623 -14.794 12.948 1.00 0.00 N ATOM 547 CA LYS A 29 12.647 -15.854 13.167 1.00 0.00 C ATOM 548 C LYS A 29 13.861 -15.585 12.279 1.00 0.00 C ATOM 549 O LYS A 29 14.957 -16.032 12.554 1.00 0.00 O ATOM 550 CB LYS A 29 12.052 -17.220 12.821 1.00 0.00 C ATOM 551 CG LYS A 29 10.886 -17.523 13.765 1.00 0.00 C ATOM 552 CD LYS A 29 10.225 -18.841 13.353 1.00 0.00 C ATOM 553 CE LYS A 29 11.114 -20.011 13.777 1.00 0.00 C ATOM 554 NZ LYS A 29 10.264 -21.203 14.059 1.00 0.00 N ATOM 0 H LYS A 29 10.842 -15.064 12.349 1.00 0.00 H new ATOM 0 HA LYS A 29 12.956 -15.848 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.708 -17.227 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.815 -17.994 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.244 -17.589 14.793 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.158 -16.713 13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.243 -18.929 13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.069 -18.861 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.832 -20.241 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.689 -19.743 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.868 -21.999 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.596 -20.980 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.735 -21.462 13.202 1.00 0.00 H new ATOM 568 N LYS A 30 13.671 -14.862 11.213 1.00 0.00 N ATOM 569 CA LYS A 30 14.810 -14.565 10.297 1.00 0.00 C ATOM 570 C LYS A 30 15.925 -13.862 11.070 1.00 0.00 C ATOM 571 O LYS A 30 17.091 -13.995 10.758 1.00 0.00 O ATOM 572 CB LYS A 30 14.329 -13.659 9.161 1.00 0.00 C ATOM 573 CG LYS A 30 13.447 -14.463 8.203 1.00 0.00 C ATOM 574 CD LYS A 30 13.734 -14.034 6.763 1.00 0.00 C ATOM 575 CE LYS A 30 14.855 -14.899 6.185 1.00 0.00 C ATOM 576 NZ LYS A 30 16.119 -14.112 6.143 1.00 0.00 N ATOM 0 H LYS A 30 12.775 -14.462 10.934 1.00 0.00 H new ATOM 0 HA LYS A 30 15.191 -15.499 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.769 -12.816 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.183 -13.246 8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.641 -15.529 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.395 -14.302 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.834 -14.134 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.021 -12.983 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.991 -15.792 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.590 -15.235 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.801 -14.584 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.921 -13.157 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.518 -14.045 7.101 1.00 0.00 H new ATOM 590 N ILE A 31 15.573 -13.114 12.075 1.00 0.00 N ATOM 591 CA ILE A 31 16.611 -12.398 12.870 1.00 0.00 C ATOM 592 C ILE A 31 17.446 -13.408 13.655 1.00 0.00 C ATOM 593 O ILE A 31 18.637 -13.244 13.830 1.00 0.00 O ATOM 594 CB ILE A 31 15.937 -11.421 13.837 1.00 0.00 C ATOM 595 CG1 ILE A 31 15.098 -12.199 14.854 1.00 0.00 C ATOM 596 CG2 ILE A 31 15.030 -10.472 13.053 1.00 0.00 C ATOM 597 CD1 ILE A 31 15.935 -12.470 16.106 1.00 0.00 C ATOM 0 H ILE A 31 14.612 -12.966 12.382 1.00 0.00 H new ATOM 0 HA ILE A 31 17.262 -11.843 12.195 1.00 0.00 H new ATOM 0 HB ILE A 31 16.702 -10.847 14.361 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.206 -11.630 15.116 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.760 -13.140 14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.550 -9.776 13.741 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.625 -9.915 12.330 1.00 0.00 H new ATOM 0 HG23 ILE A 31 14.267 -11.048 12.529 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.338 -13.024 16.830 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.814 -13.056 15.836 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.251 -11.523 16.545 1.00 0.00 H new ATOM 609 N GLU A 32 16.831 -14.453 14.126 1.00 0.00 N ATOM 610 CA GLU A 32 17.585 -15.478 14.899 1.00 0.00 C ATOM 611 C GLU A 32 18.634 -16.125 13.997 1.00 0.00 C ATOM 612 O GLU A 32 19.667 -16.580 14.450 1.00 0.00 O ATOM 613 CB GLU A 32 16.618 -16.548 15.413 1.00 0.00 C ATOM 614 CG GLU A 32 17.116 -17.084 16.758 1.00 0.00 C ATOM 615 CD GLU A 32 16.228 -18.246 17.206 1.00 0.00 C ATOM 616 OE1 GLU A 32 15.826 -19.021 16.354 1.00 0.00 O ATOM 617 OE2 GLU A 32 15.965 -18.341 18.394 1.00 0.00 O ATOM 0 H GLU A 32 15.836 -14.643 14.009 1.00 0.00 H new ATOM 0 HA GLU A 32 18.079 -15.003 15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.619 -16.127 15.525 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.542 -17.361 14.691 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.150 -17.417 16.668 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.100 -16.291 17.506 1.00 0.00 H new ATOM 624 N LYS A 33 18.373 -16.169 12.723 1.00 0.00 N ATOM 625 CA LYS A 33 19.349 -16.784 11.780 1.00 0.00 C ATOM 626 C LYS A 33 20.576 -15.880 11.654 1.00 0.00 C ATOM 627 O LYS A 33 20.735 -15.178 10.674 1.00 0.00 O ATOM 628 CB LYS A 33 18.694 -16.951 10.408 1.00 0.00 C ATOM 629 CG LYS A 33 19.443 -18.018 9.609 1.00 0.00 C ATOM 630 CD LYS A 33 18.879 -18.081 8.189 1.00 0.00 C ATOM 631 CE LYS A 33 19.431 -16.914 7.368 1.00 0.00 C ATOM 632 NZ LYS A 33 20.036 -17.433 6.110 1.00 0.00 N ATOM 0 H LYS A 33 17.524 -15.805 12.291 1.00 0.00 H new ATOM 0 HA LYS A 33 19.655 -17.759 12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.649 -17.237 10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.707 -16.003 9.870 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.507 -17.785 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.343 -18.989 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.148 -19.028 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.790 -18.037 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.633 -16.209 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.178 -16.370 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.411 -16.640 5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.809 -18.089 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.311 -17.933 5.557 1.00 0.00 H new HETATM 646 N NH2 A 34 21.461 -15.866 12.613 1.00 0.00 N TER 649 NH2 A 34