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+ -163:sc= -1.23 (180deg=-2.09!) 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+ -163:sc= 0 (180deg=-0.266) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.464 18.720 -4.541 1.00 0.00 N ATOM 2 CA LYS A 1 -7.448 17.742 -5.085 1.00 0.00 C ATOM 3 C LYS A 1 -7.729 16.663 -4.037 1.00 0.00 C ATOM 4 O LYS A 1 -6.846 15.930 -3.636 1.00 0.00 O ATOM 5 CB LYS A 1 -6.878 17.093 -6.347 1.00 0.00 C ATOM 6 CG LYS A 1 -7.067 18.036 -7.537 1.00 0.00 C ATOM 7 CD LYS A 1 -8.282 17.592 -8.354 1.00 0.00 C ATOM 8 CE LYS A 1 -9.515 18.375 -7.903 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.639 18.118 -8.847 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.273 19.453 -5.253 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.852 19.163 -3.684 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.579 18.227 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.376 18.259 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.819 16.873 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.379 16.144 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.206 19.058 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.174 18.033 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.100 17.759 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.450 16.523 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.799 18.078 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.290 19.441 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.478 18.650 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.366 18.422 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.859 17.101 -8.857 1.00 0.00 H new ATOM 25 N TRP A 2 -8.950 16.559 -3.590 1.00 0.00 N ATOM 26 CA TRP A 2 -9.284 15.527 -2.568 1.00 0.00 C ATOM 27 C TRP A 2 -9.215 14.139 -3.205 1.00 0.00 C ATOM 28 O TRP A 2 -9.257 13.131 -2.526 1.00 0.00 O ATOM 29 CB TRP A 2 -10.696 15.776 -2.034 1.00 0.00 C ATOM 30 CG TRP A 2 -10.927 14.930 -0.824 1.00 0.00 C ATOM 31 CD1 TRP A 2 -10.277 15.066 0.354 1.00 0.00 C ATOM 32 CD2 TRP A 2 -11.859 13.824 -0.652 1.00 0.00 C ATOM 33 NE1 TRP A 2 -10.750 14.114 1.239 1.00 0.00 N ATOM 34 CE2 TRP A 2 -11.727 13.324 0.665 1.00 0.00 C ATOM 35 CE3 TRP A 2 -12.797 13.212 -1.503 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -12.498 12.254 1.123 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -13.575 12.135 -1.045 1.00 0.00 C ATOM 38 CH2 TRP A 2 -13.426 11.657 0.264 1.00 0.00 C ATOM 0 H TRP A 2 -9.731 17.144 -3.888 1.00 0.00 H new ATOM 0 HA TRP A 2 -8.571 15.585 -1.746 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -10.821 16.829 -1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -11.433 15.541 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -9.513 15.799 0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -10.418 14.008 2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -12.920 13.572 -2.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -12.379 11.890 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -14.293 11.672 -1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -14.027 10.829 0.609 1.00 0.00 H new ATOM 49 N LYS A 3 -9.111 14.074 -4.504 1.00 0.00 N ATOM 50 CA LYS A 3 -9.039 12.749 -5.181 1.00 0.00 C ATOM 51 C LYS A 3 -7.733 12.056 -4.796 1.00 0.00 C ATOM 52 O LYS A 3 -7.622 10.847 -4.831 1.00 0.00 O ATOM 53 CB LYS A 3 -9.087 12.943 -6.698 1.00 0.00 C ATOM 54 CG LYS A 3 -10.003 14.120 -7.034 1.00 0.00 C ATOM 55 CD LYS A 3 -10.958 13.718 -8.160 1.00 0.00 C ATOM 56 CE LYS A 3 -10.432 14.253 -9.493 1.00 0.00 C ATOM 57 NZ LYS A 3 -10.260 13.123 -10.449 1.00 0.00 N ATOM 0 H LYS A 3 -9.073 14.882 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.884 12.135 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.084 13.128 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.452 12.036 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.569 14.417 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.409 14.982 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.050 12.633 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.954 14.115 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.127 14.987 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.481 14.764 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.902 13.486 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.582 12.438 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.176 12.654 -10.601 1.00 0.00 H new ATOM 71 N VAL A 4 -6.743 12.818 -4.428 1.00 0.00 N ATOM 72 CA VAL A 4 -5.439 12.213 -4.038 1.00 0.00 C ATOM 73 C VAL A 4 -5.666 11.193 -2.925 1.00 0.00 C ATOM 74 O VAL A 4 -4.965 10.206 -2.818 1.00 0.00 O ATOM 75 CB VAL A 4 -4.495 13.310 -3.541 1.00 0.00 C ATOM 76 CG1 VAL A 4 -4.307 14.357 -4.640 1.00 0.00 C ATOM 77 CG2 VAL A 4 -5.096 13.974 -2.302 1.00 0.00 C ATOM 0 H VAL A 4 -6.780 13.836 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.995 11.717 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.529 12.872 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.635 15.139 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.880 13.884 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.272 14.796 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.425 14.756 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.061 14.412 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.231 13.228 -1.519 1.00 0.00 H new ATOM 87 N PHE A 5 -6.641 11.425 -2.098 1.00 0.00 N ATOM 88 CA PHE A 5 -6.925 10.474 -0.987 1.00 0.00 C ATOM 89 C PHE A 5 -7.296 9.112 -1.566 1.00 0.00 C ATOM 90 O PHE A 5 -7.072 8.085 -0.956 1.00 0.00 O ATOM 91 CB PHE A 5 -8.083 11.005 -0.139 1.00 0.00 C ATOM 92 CG PHE A 5 -7.896 10.572 1.295 1.00 0.00 C ATOM 93 CD1 PHE A 5 -6.772 10.998 2.014 1.00 0.00 C ATOM 94 CD2 PHE A 5 -8.847 9.747 1.907 1.00 0.00 C ATOM 95 CE1 PHE A 5 -6.600 10.597 3.344 1.00 0.00 C ATOM 96 CE2 PHE A 5 -8.675 9.347 3.237 1.00 0.00 C ATOM 97 CZ PHE A 5 -7.551 9.772 3.956 1.00 0.00 C ATOM 0 H PHE A 5 -7.258 12.236 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.038 10.372 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.123 12.093 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.031 10.629 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.039 11.635 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.714 9.419 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.733 10.924 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.409 8.711 3.709 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.418 9.463 4.982 1.00 0.00 H new ATOM 107 N LYS A 6 -7.856 9.095 -2.739 1.00 0.00 N ATOM 108 CA LYS A 6 -8.236 7.795 -3.355 1.00 0.00 C ATOM 109 C LYS A 6 -6.999 6.916 -3.461 1.00 0.00 C ATOM 110 O LYS A 6 -7.052 5.719 -3.256 1.00 0.00 O ATOM 111 CB LYS A 6 -8.827 8.032 -4.746 1.00 0.00 C ATOM 112 CG LYS A 6 -9.834 6.926 -5.068 1.00 0.00 C ATOM 113 CD LYS A 6 -10.555 7.257 -6.377 1.00 0.00 C ATOM 114 CE LYS A 6 -11.134 5.975 -6.978 1.00 0.00 C ATOM 115 NZ LYS A 6 -10.234 5.483 -8.059 1.00 0.00 N ATOM 0 H LYS A 6 -8.067 9.922 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.984 7.301 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.316 9.006 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.033 8.044 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.322 5.968 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.556 6.830 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.352 7.978 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.862 7.720 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.241 5.214 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.130 6.166 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.627 4.611 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.154 6.208 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.292 5.286 -7.664 1.00 0.00 H new ATOM 129 N LYS A 7 -5.882 7.502 -3.758 1.00 0.00 N ATOM 130 CA LYS A 7 -4.634 6.703 -3.854 1.00 0.00 C ATOM 131 C LYS A 7 -4.264 6.237 -2.455 1.00 0.00 C ATOM 132 O LYS A 7 -3.723 5.166 -2.260 1.00 0.00 O ATOM 133 CB LYS A 7 -3.508 7.557 -4.440 1.00 0.00 C ATOM 134 CG LYS A 7 -3.852 7.936 -5.882 1.00 0.00 C ATOM 135 CD LYS A 7 -2.799 8.905 -6.422 1.00 0.00 C ATOM 136 CE LYS A 7 -1.601 8.116 -6.951 1.00 0.00 C ATOM 137 NZ LYS A 7 -1.125 8.728 -8.224 1.00 0.00 N ATOM 0 H LYS A 7 -5.776 8.500 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.785 5.844 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.369 8.456 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.568 7.007 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.891 7.042 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.839 8.396 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.226 9.515 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.479 9.587 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.799 8.115 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.882 7.076 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.310 8.191 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.891 8.707 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.841 9.713 -8.051 1.00 0.00 H new ATOM 151 N ILE A 8 -4.585 7.028 -1.479 1.00 0.00 N ATOM 152 CA ILE A 8 -4.294 6.641 -0.077 1.00 0.00 C ATOM 153 C ILE A 8 -5.296 5.569 0.325 1.00 0.00 C ATOM 154 O ILE A 8 -5.006 4.671 1.090 1.00 0.00 O ATOM 155 CB ILE A 8 -4.445 7.858 0.838 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.246 8.791 0.640 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.501 7.399 2.296 1.00 0.00 C ATOM 158 CD1 ILE A 8 -3.225 9.841 1.752 1.00 0.00 C ATOM 0 H ILE A 8 -5.040 7.934 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.275 6.265 0.012 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.365 8.388 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.320 8.217 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.308 9.278 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.609 8.267 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.353 6.733 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.582 6.870 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.372 10.504 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.146 10.423 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.142 9.345 2.719 1.00 0.00 H new ATOM 170 N GLU A 9 -6.480 5.667 -0.202 1.00 0.00 N ATOM 171 CA GLU A 9 -7.534 4.666 0.120 1.00 0.00 C ATOM 172 C GLU A 9 -7.130 3.311 -0.450 1.00 0.00 C ATOM 173 O GLU A 9 -7.264 2.286 0.189 1.00 0.00 O ATOM 174 CB GLU A 9 -8.864 5.105 -0.496 1.00 0.00 C ATOM 175 CG GLU A 9 -10.001 4.827 0.489 1.00 0.00 C ATOM 176 CD GLU A 9 -9.813 5.686 1.741 1.00 0.00 C ATOM 177 OE1 GLU A 9 -9.171 6.718 1.637 1.00 0.00 O ATOM 178 OE2 GLU A 9 -10.314 5.297 2.783 1.00 0.00 O ATOM 0 H GLU A 9 -6.767 6.403 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.647 4.589 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.831 6.167 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.039 4.570 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.962 5.049 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.013 3.771 0.758 1.00 0.00 H new ATOM 185 N LYS A 10 -6.631 3.304 -1.649 1.00 0.00 N ATOM 186 CA LYS A 10 -6.208 2.021 -2.276 1.00 0.00 C ATOM 187 C LYS A 10 -4.953 1.506 -1.575 1.00 0.00 C ATOM 188 O LYS A 10 -4.643 0.333 -1.614 1.00 0.00 O ATOM 189 CB LYS A 10 -5.912 2.248 -3.760 1.00 0.00 C ATOM 190 CG LYS A 10 -6.316 1.005 -4.556 1.00 0.00 C ATOM 191 CD LYS A 10 -5.615 1.019 -5.916 1.00 0.00 C ATOM 192 CE LYS A 10 -5.089 -0.382 -6.234 1.00 0.00 C ATOM 193 NZ LYS A 10 -5.782 -0.911 -7.443 1.00 0.00 N ATOM 0 H LYS A 10 -6.496 4.134 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.007 1.286 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.459 3.119 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.852 2.456 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.046 0.104 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.397 0.983 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.309 1.343 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.792 1.734 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.013 -0.348 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.257 -1.046 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.424 -1.863 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.805 -0.958 -7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.600 -0.281 -8.251 1.00 0.00 H new ATOM 207 N LYS A 11 -4.230 2.377 -0.929 1.00 0.00 N ATOM 208 CA LYS A 11 -2.996 1.943 -0.217 1.00 0.00 C ATOM 209 C LYS A 11 -3.390 1.229 1.073 1.00 0.00 C ATOM 210 O LYS A 11 -2.689 0.366 1.562 1.00 0.00 O ATOM 211 CB LYS A 11 -2.136 3.165 0.114 1.00 0.00 C ATOM 212 CG LYS A 11 -0.737 2.980 -0.478 1.00 0.00 C ATOM 213 CD LYS A 11 0.071 4.265 -0.286 1.00 0.00 C ATOM 214 CE LYS A 11 1.251 4.276 -1.259 1.00 0.00 C ATOM 215 NZ LYS A 11 2.517 4.037 -0.508 1.00 0.00 N ATOM 0 H LYS A 11 -4.441 3.373 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.425 1.266 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.597 4.067 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.071 3.295 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.233 2.144 0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.808 2.737 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.563 5.135 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.432 4.330 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.116 3.507 -2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.299 5.233 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.320 4.044 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.646 4.786 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.469 3.114 -0.032 1.00 0.00 H new ATOM 229 N TRP A 12 -4.515 1.582 1.622 1.00 0.00 N ATOM 230 CA TRP A 12 -4.969 0.926 2.879 1.00 0.00 C ATOM 231 C TRP A 12 -5.709 -0.362 2.532 1.00 0.00 C ATOM 232 O TRP A 12 -5.374 -1.433 2.998 1.00 0.00 O ATOM 233 CB TRP A 12 -5.906 1.868 3.639 1.00 0.00 C ATOM 234 CG TRP A 12 -5.739 1.656 5.110 1.00 0.00 C ATOM 235 CD1 TRP A 12 -6.007 0.503 5.765 1.00 0.00 C ATOM 236 CD2 TRP A 12 -5.273 2.601 6.117 1.00 0.00 C ATOM 237 NE1 TRP A 12 -5.735 0.680 7.110 1.00 0.00 N ATOM 238 CE2 TRP A 12 -5.281 1.956 7.377 1.00 0.00 C ATOM 239 CE3 TRP A 12 -4.849 3.941 6.061 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -4.882 2.617 8.539 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -4.447 4.609 7.229 1.00 0.00 C ATOM 242 CH2 TRP A 12 -4.464 3.947 8.466 1.00 0.00 C ATOM 0 H TRP A 12 -5.142 2.298 1.255 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.107 0.696 3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.684 2.904 3.382 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.940 1.682 3.349 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.373 -0.407 5.312 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.855 -0.044 7.818 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.833 4.459 5.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.896 2.103 9.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.123 5.638 7.175 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.154 4.466 9.361 1.00 0.00 H new ATOM 253 N LYS A 13 -6.711 -0.261 1.712 1.00 0.00 N ATOM 254 CA LYS A 13 -7.486 -1.472 1.321 1.00 0.00 C ATOM 255 C LYS A 13 -6.547 -2.485 0.670 1.00 0.00 C ATOM 256 O LYS A 13 -6.789 -3.676 0.688 1.00 0.00 O ATOM 257 CB LYS A 13 -8.582 -1.080 0.328 1.00 0.00 C ATOM 258 CG LYS A 13 -9.353 -2.329 -0.102 1.00 0.00 C ATOM 259 CD LYS A 13 -10.575 -2.511 0.800 1.00 0.00 C ATOM 260 CE LYS A 13 -10.132 -3.069 2.154 1.00 0.00 C ATOM 261 NZ LYS A 13 -9.131 -4.153 1.942 1.00 0.00 N ATOM 0 H LYS A 13 -7.031 0.611 1.292 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.942 -1.914 2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.261 -0.360 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.142 -0.594 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.666 -2.236 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.709 -3.206 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.084 -1.557 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.288 -3.189 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.700 -2.275 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.993 -3.456 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.044 -4.720 2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.441 -4.763 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.208 -3.733 1.709 1.00 0.00 H new ATOM 275 N VAL A 14 -5.472 -2.022 0.102 1.00 0.00 N ATOM 276 CA VAL A 14 -4.507 -2.955 -0.543 1.00 0.00 C ATOM 277 C VAL A 14 -3.550 -3.493 0.517 1.00 0.00 C ATOM 278 O VAL A 14 -3.104 -4.621 0.456 1.00 0.00 O ATOM 279 CB VAL A 14 -3.716 -2.217 -1.624 1.00 0.00 C ATOM 280 CG1 VAL A 14 -2.727 -1.253 -0.966 1.00 0.00 C ATOM 281 CG2 VAL A 14 -2.946 -3.230 -2.474 1.00 0.00 C ATOM 0 H VAL A 14 -5.218 -1.035 0.056 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.049 -3.781 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.404 -1.657 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.164 -0.727 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.272 -0.530 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.039 -1.813 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.382 -2.704 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.259 -3.790 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.648 -3.919 -2.944 1.00 0.00 H new ATOM 291 N PHE A 15 -3.236 -2.689 1.490 1.00 0.00 N ATOM 292 CA PHE A 15 -2.312 -3.141 2.565 1.00 0.00 C ATOM 293 C PHE A 15 -2.974 -4.265 3.360 1.00 0.00 C ATOM 294 O PHE A 15 -2.331 -5.205 3.784 1.00 0.00 O ATOM 295 CB PHE A 15 -1.996 -1.970 3.497 1.00 0.00 C ATOM 296 CG PHE A 15 -0.499 -1.829 3.638 1.00 0.00 C ATOM 297 CD1 PHE A 15 0.250 -1.258 2.602 1.00 0.00 C ATOM 298 CD2 PHE A 15 0.139 -2.269 4.804 1.00 0.00 C ATOM 299 CE1 PHE A 15 1.638 -1.128 2.732 1.00 0.00 C ATOM 300 CE2 PHE A 15 1.527 -2.137 4.934 1.00 0.00 C ATOM 301 CZ PHE A 15 2.276 -1.568 3.898 1.00 0.00 C ATOM 0 H PHE A 15 -3.580 -1.734 1.588 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.386 -3.505 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.423 -1.049 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.450 -2.136 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.243 -0.918 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.439 -2.710 5.603 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.216 -0.688 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.019 -2.474 5.834 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.347 -1.468 3.998 1.00 0.00 H new ATOM 311 N LYS A 16 -4.254 -4.172 3.557 1.00 0.00 N ATOM 312 CA LYS A 16 -4.972 -5.231 4.320 1.00 0.00 C ATOM 313 C LYS A 16 -4.881 -6.552 3.555 1.00 0.00 C ATOM 314 O LYS A 16 -4.994 -7.621 4.121 1.00 0.00 O ATOM 315 CB LYS A 16 -6.441 -4.836 4.487 1.00 0.00 C ATOM 316 CG LYS A 16 -6.604 -4.001 5.759 1.00 0.00 C ATOM 317 CD LYS A 16 -8.071 -3.600 5.925 1.00 0.00 C ATOM 318 CE LYS A 16 -8.299 -3.066 7.339 1.00 0.00 C ATOM 319 NZ LYS A 16 -9.000 -1.753 7.267 1.00 0.00 N ATOM 0 H LYS A 16 -4.839 -3.407 3.223 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.516 -5.346 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.776 -4.267 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.064 -5.728 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.272 -4.572 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.977 -3.111 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.336 -2.839 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.716 -4.459 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.892 -3.776 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.345 -2.953 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.155 -1.389 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.418 -1.078 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.916 -1.874 6.791 1.00 0.00 H new ATOM 333 N LYS A 17 -4.673 -6.481 2.271 1.00 0.00 N ATOM 334 CA LYS A 17 -4.569 -7.728 1.462 1.00 0.00 C ATOM 335 C LYS A 17 -3.271 -8.448 1.813 1.00 0.00 C ATOM 336 O LYS A 17 -3.248 -9.640 2.047 1.00 0.00 O ATOM 337 CB LYS A 17 -4.568 -7.378 -0.028 1.00 0.00 C ATOM 338 CG LYS A 17 -5.525 -6.214 -0.287 1.00 0.00 C ATOM 339 CD LYS A 17 -6.860 -6.483 0.409 1.00 0.00 C ATOM 340 CE LYS A 17 -7.987 -6.479 -0.627 1.00 0.00 C ATOM 341 NZ LYS A 17 -8.571 -7.846 -0.731 1.00 0.00 N ATOM 0 H LYS A 17 -4.570 -5.613 1.745 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.420 -8.374 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.561 -7.111 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.869 -8.246 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.092 -5.285 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.681 -6.089 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.827 -7.444 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.046 -5.723 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.757 -5.764 -0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.603 -6.161 -1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.337 -7.844 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.833 -8.517 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.951 -8.132 0.194 1.00 0.00 H new ATOM 355 N ILE A 18 -2.193 -7.727 1.850 1.00 0.00 N ATOM 356 CA ILE A 18 -0.884 -8.352 2.187 1.00 0.00 C ATOM 357 C ILE A 18 -0.856 -8.702 3.669 1.00 0.00 C ATOM 358 O ILE A 18 -0.171 -9.612 4.086 1.00 0.00 O ATOM 359 CB ILE A 18 0.251 -7.379 1.866 1.00 0.00 C ATOM 360 CG1 ILE A 18 1.596 -8.087 2.050 1.00 0.00 C ATOM 361 CG2 ILE A 18 0.176 -6.176 2.808 1.00 0.00 C ATOM 362 CD1 ILE A 18 2.467 -7.859 0.813 1.00 0.00 C ATOM 0 H ILE A 18 -2.158 -6.725 1.661 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.754 -9.259 1.597 1.00 0.00 H new ATOM 0 HB ILE A 18 0.156 -7.038 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.101 -7.707 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.439 -9.154 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.985 -5.483 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.781 -5.671 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.270 -6.515 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.424 -8.363 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.963 -8.261 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.635 -6.790 0.678 1.00 0.00 H new ATOM 374 N GLU A 19 -1.600 -7.998 4.466 1.00 0.00 N ATOM 375 CA GLU A 19 -1.614 -8.309 5.918 1.00 0.00 C ATOM 376 C GLU A 19 -1.859 -9.805 6.093 1.00 0.00 C ATOM 377 O GLU A 19 -1.207 -10.469 6.874 1.00 0.00 O ATOM 378 CB GLU A 19 -2.731 -7.520 6.605 1.00 0.00 C ATOM 379 CG GLU A 19 -2.121 -6.555 7.625 1.00 0.00 C ATOM 380 CD GLU A 19 -2.655 -6.881 9.020 1.00 0.00 C ATOM 381 OE1 GLU A 19 -3.836 -7.169 9.129 1.00 0.00 O ATOM 382 OE2 GLU A 19 -1.875 -6.838 9.957 1.00 0.00 O ATOM 0 H GLU A 19 -2.198 -7.223 4.178 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.660 -8.032 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.308 -6.966 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.421 -8.203 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.034 -6.635 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.368 -5.527 7.361 1.00 0.00 H new ATOM 389 N LYS A 20 -2.785 -10.337 5.355 1.00 0.00 N ATOM 390 CA LYS A 20 -3.081 -11.793 5.456 1.00 0.00 C ATOM 391 C LYS A 20 -1.944 -12.581 4.809 1.00 0.00 C ATOM 392 O LYS A 20 -1.737 -13.743 5.094 1.00 0.00 O ATOM 393 CB LYS A 20 -4.394 -12.101 4.735 1.00 0.00 C ATOM 394 CG LYS A 20 -5.543 -11.360 5.421 1.00 0.00 C ATOM 395 CD LYS A 20 -6.699 -11.186 4.434 1.00 0.00 C ATOM 396 CE LYS A 20 -7.987 -10.882 5.203 1.00 0.00 C ATOM 397 NZ LYS A 20 -8.951 -10.188 4.304 1.00 0.00 N ATOM 0 H LYS A 20 -3.355 -9.826 4.681 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.173 -12.076 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.326 -11.799 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.583 -13.174 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.878 -11.917 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.203 -10.387 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.478 -10.376 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.823 -12.091 3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.425 -11.806 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.767 -10.258 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.826 -9.981 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.532 -9.298 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.169 -10.799 3.491 1.00 0.00 H new ATOM 411 N ALA A 21 -1.205 -11.951 3.942 1.00 0.00 N ATOM 412 CA ALA A 21 -0.074 -12.654 3.275 1.00 0.00 C ATOM 413 C ALA A 21 1.227 -12.325 4.009 1.00 0.00 C ATOM 414 O ALA A 21 2.267 -12.889 3.733 1.00 0.00 O ATOM 415 CB ALA A 21 0.028 -12.191 1.821 1.00 0.00 C ATOM 0 H ALA A 21 -1.335 -10.978 3.665 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.246 -13.730 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.856 -12.705 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.901 -12.422 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.202 -11.115 1.793 1.00 0.00 H new ATOM 421 N GLY A 22 1.176 -11.415 4.944 1.00 0.00 N ATOM 422 CA GLY A 22 2.411 -11.049 5.696 1.00 0.00 C ATOM 423 C GLY A 22 2.085 -9.945 6.705 1.00 0.00 C ATOM 424 O GLY A 22 2.512 -8.819 6.549 1.00 0.00 O ATOM 0 H GLY A 22 0.334 -10.910 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.808 -11.923 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.183 -10.709 5.006 1.00 0.00 H new ATOM 428 N PRO A 23 1.333 -10.306 7.715 1.00 0.00 N ATOM 429 CA PRO A 23 0.925 -9.370 8.775 1.00 0.00 C ATOM 430 C PRO A 23 2.074 -9.147 9.762 1.00 0.00 C ATOM 431 O PRO A 23 2.051 -8.231 10.560 1.00 0.00 O ATOM 432 CB PRO A 23 -0.247 -10.084 9.453 1.00 0.00 C ATOM 433 CG PRO A 23 -0.083 -11.589 9.134 1.00 0.00 C ATOM 434 CD PRO A 23 0.822 -11.681 7.891 1.00 0.00 C ATOM 0 HA PRO A 23 0.655 -8.384 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.237 -9.912 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.200 -9.709 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.362 -12.117 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.051 -12.052 8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.634 -12.392 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.264 -12.014 7.016 1.00 0.00 H new ATOM 442 N LYS A 24 3.079 -9.977 9.712 1.00 0.00 N ATOM 443 CA LYS A 24 4.229 -9.812 10.645 1.00 0.00 C ATOM 444 C LYS A 24 4.951 -8.499 10.336 1.00 0.00 C ATOM 445 O LYS A 24 5.808 -8.062 11.078 1.00 0.00 O ATOM 446 CB LYS A 24 5.200 -10.982 10.470 1.00 0.00 C ATOM 447 CG LYS A 24 5.705 -11.435 11.840 1.00 0.00 C ATOM 448 CD LYS A 24 6.812 -12.476 11.657 1.00 0.00 C ATOM 449 CE LYS A 24 6.240 -13.876 11.889 1.00 0.00 C ATOM 450 NZ LYS A 24 7.030 -14.870 11.109 1.00 0.00 N ATOM 0 H LYS A 24 3.154 -10.762 9.065 1.00 0.00 H new ATOM 0 HA LYS A 24 3.864 -9.793 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.703 -11.808 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.039 -10.681 9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.084 -10.580 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.885 -11.859 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.231 -12.404 10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.626 -12.284 12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.272 -14.122 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.194 -13.908 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.642 -15.822 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.978 -14.637 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.022 -14.845 11.419 1.00 0.00 H new ATOM 464 N TRP A 25 4.612 -7.864 9.247 1.00 0.00 N ATOM 465 CA TRP A 25 5.280 -6.580 8.894 1.00 0.00 C ATOM 466 C TRP A 25 4.556 -5.421 9.584 1.00 0.00 C ATOM 467 O TRP A 25 5.017 -4.298 9.578 1.00 0.00 O ATOM 468 CB TRP A 25 5.233 -6.381 7.377 1.00 0.00 C ATOM 469 CG TRP A 25 6.276 -7.234 6.730 1.00 0.00 C ATOM 470 CD1 TRP A 25 6.818 -8.347 7.277 1.00 0.00 C ATOM 471 CD2 TRP A 25 6.912 -7.066 5.430 1.00 0.00 C ATOM 472 NE1 TRP A 25 7.745 -8.872 6.395 1.00 0.00 N ATOM 473 CE2 TRP A 25 7.840 -8.118 5.242 1.00 0.00 C ATOM 474 CE3 TRP A 25 6.776 -6.111 4.405 1.00 0.00 C ATOM 475 CZ2 TRP A 25 8.604 -8.220 4.080 1.00 0.00 C ATOM 476 CZ3 TRP A 25 7.544 -6.212 3.234 1.00 0.00 C ATOM 477 CH2 TRP A 25 8.457 -7.264 3.071 1.00 0.00 C ATOM 0 H TRP A 25 3.901 -8.179 8.587 1.00 0.00 H new ATOM 0 HA TRP A 25 6.318 -6.608 9.225 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.246 -6.643 6.996 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.402 -5.332 7.132 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.568 -8.758 8.244 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.292 -9.714 6.574 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.077 -5.296 4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.305 -9.033 3.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 7.431 -5.474 2.453 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.045 -7.335 2.168 1.00 0.00 H new ATOM 488 N LYS A 26 3.424 -5.686 10.179 1.00 0.00 N ATOM 489 CA LYS A 26 2.672 -4.598 10.867 1.00 0.00 C ATOM 490 C LYS A 26 2.508 -4.946 12.348 1.00 0.00 C ATOM 491 O LYS A 26 1.955 -4.184 13.116 1.00 0.00 O ATOM 492 CB LYS A 26 1.291 -4.449 10.224 1.00 0.00 C ATOM 493 CG LYS A 26 0.907 -2.968 10.173 1.00 0.00 C ATOM 494 CD LYS A 26 -0.617 -2.836 10.212 1.00 0.00 C ATOM 495 CE LYS A 26 -1.001 -1.569 10.980 1.00 0.00 C ATOM 496 NZ LYS A 26 -2.189 -0.941 10.337 1.00 0.00 N ATOM 0 H LYS A 26 2.988 -6.607 10.218 1.00 0.00 H new ATOM 0 HA LYS A 26 3.222 -3.662 10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.300 -4.868 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.550 -5.008 10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.351 -2.437 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.300 -2.510 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.015 -2.794 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.056 -3.711 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.223 -1.813 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.166 -0.869 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.451 -0.080 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.961 -0.694 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.985 -1.610 10.351 1.00 0.00 H new ATOM 510 N VAL A 27 2.982 -6.091 12.758 1.00 0.00 N ATOM 511 CA VAL A 27 2.851 -6.484 14.190 1.00 0.00 C ATOM 512 C VAL A 27 3.737 -5.585 15.051 1.00 0.00 C ATOM 513 O VAL A 27 3.421 -5.280 16.183 1.00 0.00 O ATOM 514 CB VAL A 27 3.280 -7.941 14.362 1.00 0.00 C ATOM 515 CG1 VAL A 27 2.326 -8.851 13.585 1.00 0.00 C ATOM 516 CG2 VAL A 27 4.702 -8.120 13.826 1.00 0.00 C ATOM 0 H VAL A 27 3.454 -6.772 12.163 1.00 0.00 H new ATOM 0 HA VAL A 27 1.812 -6.373 14.502 1.00 0.00 H new ATOM 0 HB VAL A 27 3.252 -8.204 15.419 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.633 -9.890 13.708 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.312 -8.724 13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.353 -8.588 12.528 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.009 -9.159 13.948 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.728 -7.856 12.769 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.383 -7.473 14.379 1.00 0.00 H new ATOM 526 N PHE A 28 4.847 -5.165 14.520 1.00 0.00 N ATOM 527 CA PHE A 28 5.764 -4.286 15.300 1.00 0.00 C ATOM 528 C PHE A 28 5.136 -2.903 15.456 1.00 0.00 C ATOM 529 O PHE A 28 5.399 -2.191 16.404 1.00 0.00 O ATOM 530 CB PHE A 28 7.101 -4.161 14.567 1.00 0.00 C ATOM 531 CG PHE A 28 8.227 -4.510 15.510 1.00 0.00 C ATOM 532 CD1 PHE A 28 8.606 -3.607 16.511 1.00 0.00 C ATOM 533 CD2 PHE A 28 8.893 -5.734 15.382 1.00 0.00 C ATOM 534 CE1 PHE A 28 9.650 -3.930 17.385 1.00 0.00 C ATOM 535 CE2 PHE A 28 9.938 -6.057 16.256 1.00 0.00 C ATOM 536 CZ PHE A 28 10.317 -5.155 17.258 1.00 0.00 C ATOM 0 H PHE A 28 5.162 -5.392 13.577 1.00 0.00 H new ATOM 0 HA PHE A 28 5.931 -4.721 16.285 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.117 -4.825 13.703 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.228 -3.146 14.192 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.093 -2.662 16.608 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.601 -6.429 14.609 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.942 -3.234 18.158 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.452 -7.002 16.157 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.123 -5.404 17.932 1.00 0.00 H new ATOM 546 N LYS A 29 4.309 -2.518 14.529 1.00 0.00 N ATOM 547 CA LYS A 29 3.658 -1.181 14.613 1.00 0.00 C ATOM 548 C LYS A 29 2.549 -1.218 15.664 1.00 0.00 C ATOM 549 O LYS A 29 2.159 -0.204 16.207 1.00 0.00 O ATOM 550 CB LYS A 29 3.062 -0.815 13.253 1.00 0.00 C ATOM 551 CG LYS A 29 4.181 -0.368 12.310 1.00 0.00 C ATOM 552 CD LYS A 29 3.626 -0.216 10.893 1.00 0.00 C ATOM 553 CE LYS A 29 3.255 1.246 10.643 1.00 0.00 C ATOM 554 NZ LYS A 29 4.387 1.937 9.965 1.00 0.00 N ATOM 0 H LYS A 29 4.053 -3.073 13.712 1.00 0.00 H new ATOM 0 HA LYS A 29 4.400 -0.434 14.895 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.537 -1.672 12.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.328 -0.017 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.601 0.578 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.991 -1.098 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.367 -0.544 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.750 -0.851 10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.358 1.304 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.026 1.741 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.135 2.932 9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.233 1.893 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.585 1.470 9.057 1.00 0.00 H new ATOM 568 N LYS A 30 2.038 -2.380 15.952 1.00 0.00 N ATOM 569 CA LYS A 30 0.951 -2.486 16.965 1.00 0.00 C ATOM 570 C LYS A 30 1.433 -1.901 18.291 1.00 0.00 C ATOM 571 O LYS A 30 0.662 -1.366 19.062 1.00 0.00 O ATOM 572 CB LYS A 30 0.569 -3.954 17.157 1.00 0.00 C ATOM 573 CG LYS A 30 -0.912 -4.142 16.819 1.00 0.00 C ATOM 574 CD LYS A 30 -1.417 -5.448 17.432 1.00 0.00 C ATOM 575 CE LYS A 30 -1.637 -6.481 16.325 1.00 0.00 C ATOM 576 NZ LYS A 30 -0.389 -7.269 16.126 1.00 0.00 N ATOM 0 H LYS A 30 2.326 -3.263 15.530 1.00 0.00 H new ATOM 0 HA LYS A 30 0.078 -1.931 16.621 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.183 -4.588 16.517 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.760 -4.260 18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.492 -3.302 17.201 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.049 -4.159 15.738 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.695 -5.825 18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.348 -5.273 17.971 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.460 -7.144 16.590 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.916 -5.982 15.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.430 -7.758 15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.431 -6.630 16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.296 -7.970 16.889 1.00 0.00 H new ATOM 590 N ILE A 31 2.703 -1.990 18.558 1.00 0.00 N ATOM 591 CA ILE A 31 3.232 -1.429 19.832 1.00 0.00 C ATOM 592 C ILE A 31 3.070 0.089 19.807 1.00 0.00 C ATOM 593 O ILE A 31 2.688 0.706 20.781 1.00 0.00 O ATOM 594 CB ILE A 31 4.713 -1.794 19.986 1.00 0.00 C ATOM 595 CG1 ILE A 31 5.563 -0.916 19.063 1.00 0.00 C ATOM 596 CG2 ILE A 31 4.918 -3.264 19.615 1.00 0.00 C ATOM 597 CD1 ILE A 31 6.998 -1.446 19.032 1.00 0.00 C ATOM 0 H ILE A 31 3.398 -2.426 17.952 1.00 0.00 H new ATOM 0 HA ILE A 31 2.680 -1.844 20.675 1.00 0.00 H new ATOM 0 HB ILE A 31 5.016 -1.631 21.020 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.143 -0.914 18.057 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.553 0.116 19.414 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.971 -3.523 19.724 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.319 -3.893 20.274 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.610 -3.425 18.582 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.603 -0.821 18.375 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.416 -1.425 20.039 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.999 -2.471 18.660 1.00 0.00 H new ATOM 609 N GLU A 32 3.353 0.688 18.689 1.00 0.00 N ATOM 610 CA GLU A 32 3.214 2.166 18.570 1.00 0.00 C ATOM 611 C GLU A 32 1.733 2.534 18.599 1.00 0.00 C ATOM 612 O GLU A 32 1.304 3.381 19.357 1.00 0.00 O ATOM 613 CB GLU A 32 3.833 2.631 17.249 1.00 0.00 C ATOM 614 CG GLU A 32 4.755 3.824 17.507 1.00 0.00 C ATOM 615 CD GLU A 32 3.931 5.112 17.521 1.00 0.00 C ATOM 616 OE1 GLU A 32 3.320 5.413 16.510 1.00 0.00 O ATOM 617 OE2 GLU A 32 3.925 5.777 18.544 1.00 0.00 O ATOM 0 H GLU A 32 3.677 0.216 17.845 1.00 0.00 H new ATOM 0 HA GLU A 32 3.727 2.652 19.400 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.395 1.816 16.792 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.048 2.910 16.546 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.271 3.699 18.459 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.522 3.879 16.734 1.00 0.00 H new ATOM 624 N LYS A 33 0.957 1.893 17.775 1.00 0.00 N ATOM 625 CA LYS A 33 -0.506 2.179 17.730 1.00 0.00 C ATOM 626 C LYS A 33 -0.745 3.685 17.861 1.00 0.00 C ATOM 627 O LYS A 33 -1.755 4.113 18.382 1.00 0.00 O ATOM 628 CB LYS A 33 -1.202 1.448 18.880 1.00 0.00 C ATOM 629 CG LYS A 33 -0.761 2.054 20.213 1.00 0.00 C ATOM 630 CD LYS A 33 -1.706 1.589 21.324 1.00 0.00 C ATOM 631 CE LYS A 33 -1.363 0.151 21.717 1.00 0.00 C ATOM 632 NZ LYS A 33 -2.578 -0.702 21.590 1.00 0.00 N ATOM 0 H LYS A 33 1.274 1.176 17.123 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.912 1.834 16.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.284 1.527 18.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.956 0.387 18.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.261 1.752 20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.766 3.142 20.149 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.617 2.245 22.190 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.740 1.648 20.985 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.568 -0.232 21.077 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.990 0.122 22.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.345 -1.680 21.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.324 -0.340 22.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.914 -0.683 20.606 1.00 0.00 H new HETATM 646 N NH2 A 34 0.152 4.515 17.404 1.00 0.00 N TER 649 NH2 A 34