USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -171:sc= 0 (180deg=-0.0926) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.42) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.168) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.668 -4.179 -0.444 1.00 5.40 N ATOM 2 CA LYS A 1 3.629 -3.255 -0.882 1.00 14.01 C ATOM 3 C LYS A 1 3.707 -3.021 -2.387 1.00 63.22 C ATOM 4 O LYS A 1 2.685 -2.958 -3.070 1.00 50.54 O ATOM 5 CB LYS A 1 3.756 -1.922 -0.141 1.00 24.23 C ATOM 6 CG LYS A 1 2.518 -1.548 0.656 1.00 65.11 C ATOM 7 CD LYS A 1 1.739 -0.431 -0.017 1.00 1.42 C ATOM 8 CE LYS A 1 0.488 -0.072 0.770 1.00 0.52 C ATOM 9 NZ LYS A 1 -0.658 0.249 -0.125 1.00 62.34 N ATOM 0 H1 LYS A 1 4.503 -4.441 0.549 1.00 5.40 H new ATOM 0 H2 LYS A 1 4.645 -5.033 -1.036 1.00 5.40 H new ATOM 0 H3 LYS A 1 5.598 -3.722 -0.531 1.00 5.40 H new ATOM 0 HA LYS A 1 2.662 -3.701 -0.651 1.00 14.01 H new ATOM 0 HB2 LYS A 1 4.611 -1.971 0.533 1.00 24.23 H new ATOM 0 HB3 LYS A 1 3.965 -1.133 -0.863 1.00 24.23 H new ATOM 0 HG2 LYS A 1 1.878 -2.423 0.768 1.00 65.11 H new ATOM 0 HG3 LYS A 1 2.810 -1.236 1.659 1.00 65.11 H new ATOM 0 HD2 LYS A 1 2.374 0.449 -0.114 1.00 1.42 H new ATOM 0 HD3 LYS A 1 1.461 -0.736 -1.026 1.00 1.42 H new ATOM 0 HE2 LYS A 1 0.218 -0.903 1.422 1.00 0.52 H new ATOM 0 HE3 LYS A 1 0.697 0.783 1.413 1.00 0.52 H new ATOM 0 HZ1 LYS A 1 -1.491 0.488 0.450 1.00 62.34 H new ATOM 0 HZ2 LYS A 1 -0.410 1.058 -0.729 1.00 62.34 H new ATOM 0 HZ3 LYS A 1 -0.874 -0.575 -0.721 1.00 62.34 H new ATOM 23 N LYS A 2 4.927 -2.895 -2.899 1.00 20.42 N ATOM 24 CA LYS A 2 5.140 -2.672 -4.324 1.00 2.42 C ATOM 25 C LYS A 2 5.041 -3.980 -5.101 1.00 32.41 C ATOM 26 O LYS A 2 4.691 -3.987 -6.281 1.00 71.01 O ATOM 27 CB LYS A 2 6.508 -2.028 -4.561 1.00 2.01 C ATOM 28 CG LYS A 2 6.645 -0.646 -3.947 1.00 13.45 C ATOM 29 CD LYS A 2 8.052 -0.097 -4.115 1.00 33.23 C ATOM 30 CE LYS A 2 8.051 1.421 -4.210 1.00 75.12 C ATOM 31 NZ LYS A 2 8.801 1.902 -5.403 1.00 1.21 N ATOM 0 H LYS A 2 5.784 -2.944 -2.348 1.00 20.42 H new ATOM 0 HA LYS A 2 4.361 -1.999 -4.681 1.00 2.42 H new ATOM 0 HB2 LYS A 2 7.282 -2.677 -4.150 1.00 2.01 H new ATOM 0 HB3 LYS A 2 6.686 -1.959 -5.634 1.00 2.01 H new ATOM 0 HG2 LYS A 2 5.931 0.033 -4.413 1.00 13.45 H new ATOM 0 HG3 LYS A 2 6.396 -0.692 -2.887 1.00 13.45 H new ATOM 0 HD2 LYS A 2 8.668 -0.409 -3.272 1.00 33.23 H new ATOM 0 HD3 LYS A 2 8.503 -0.518 -5.013 1.00 33.23 H new ATOM 0 HE2 LYS A 2 7.023 1.781 -4.257 1.00 75.12 H new ATOM 0 HE3 LYS A 2 8.495 1.842 -3.308 1.00 75.12 H new ATOM 0 HZ1 LYS A 2 8.777 2.941 -5.432 1.00 1.21 H new ATOM 0 HZ2 LYS A 2 9.788 1.580 -5.346 1.00 1.21 H new ATOM 0 HZ3 LYS A 2 8.362 1.521 -6.266 1.00 1.21 H new ATOM 45 N TRP A 3 5.349 -5.085 -4.432 1.00 21.14 N ATOM 46 CA TRP A 3 5.293 -6.400 -5.060 1.00 72.20 C ATOM 47 C TRP A 3 3.892 -6.692 -5.587 1.00 43.15 C ATOM 48 O TRP A 3 3.720 -7.484 -6.513 1.00 32.35 O ATOM 49 CB TRP A 3 5.712 -7.483 -4.064 1.00 13.42 C ATOM 50 CG TRP A 3 7.125 -7.946 -4.250 1.00 32.22 C ATOM 51 CD1 TRP A 3 7.539 -9.211 -4.555 1.00 72.23 C ATOM 52 CD2 TRP A 3 8.309 -7.150 -4.140 1.00 45.32 C ATOM 53 NE1 TRP A 3 8.910 -9.249 -4.642 1.00 73.11 N ATOM 54 CE2 TRP A 3 9.406 -7.997 -4.393 1.00 21.14 C ATOM 55 CE3 TRP A 3 8.551 -5.803 -3.856 1.00 14.04 C ATOM 56 CZ2 TRP A 3 10.721 -7.540 -4.367 1.00 51.01 C ATOM 57 CZ3 TRP A 3 9.856 -5.351 -3.830 1.00 42.03 C ATOM 58 CH2 TRP A 3 10.928 -6.217 -4.086 1.00 11.15 C ATOM 0 H TRP A 3 5.640 -5.097 -3.455 1.00 21.14 H new ATOM 0 HA TRP A 3 5.986 -6.403 -5.901 1.00 72.20 H new ATOM 0 HB2 TRP A 3 5.593 -7.100 -3.050 1.00 13.42 H new ATOM 0 HB3 TRP A 3 5.041 -8.337 -4.163 1.00 13.42 H new ATOM 0 HD1 TRP A 3 6.885 -10.057 -4.706 1.00 72.23 H new ATOM 0 HE1 TRP A 3 9.468 -10.076 -4.857 1.00 73.11 H new ATOM 0 HE3 TRP A 3 7.732 -5.127 -3.660 1.00 14.04 H new ATOM 0 HZ2 TRP A 3 11.548 -8.206 -4.562 1.00 51.01 H new ATOM 0 HZ3 TRP A 3 10.054 -4.313 -3.609 1.00 42.03 H new ATOM 0 HH2 TRP A 3 11.937 -5.833 -4.061 1.00 11.15 H new ATOM 69 N GLY A 4 2.894 -6.046 -4.993 1.00 12.32 N ATOM 70 CA GLY A 4 1.521 -6.250 -5.417 1.00 41.11 C ATOM 71 C GLY A 4 1.314 -5.932 -6.885 1.00 5.33 C ATOM 72 O GLY A 4 1.282 -6.832 -7.723 1.00 65.32 O ATOM 0 H GLY A 4 3.011 -5.385 -4.225 1.00 12.32 H new ATOM 0 HA2 GLY A 4 1.236 -7.285 -5.229 1.00 41.11 H new ATOM 0 HA3 GLY A 4 0.862 -5.624 -4.816 1.00 41.11 H new ATOM 76 N TRP A 5 1.172 -4.648 -7.196 1.00 23.45 N ATOM 77 CA TRP A 5 0.966 -4.214 -8.572 1.00 74.15 C ATOM 78 C TRP A 5 2.089 -4.713 -9.475 1.00 54.10 C ATOM 79 O TRP A 5 1.904 -4.871 -10.683 1.00 3.14 O ATOM 80 CB TRP A 5 0.880 -2.688 -8.640 1.00 74.53 C ATOM 81 CG TRP A 5 2.166 -2.005 -8.288 1.00 50.21 C ATOM 82 CD1 TRP A 5 2.638 -1.743 -7.034 1.00 1.43 C ATOM 83 CD2 TRP A 5 3.143 -1.495 -9.202 1.00 5.14 C ATOM 84 NE1 TRP A 5 3.850 -1.100 -7.112 1.00 63.34 N ATOM 85 CE2 TRP A 5 4.183 -0.937 -8.431 1.00 73.42 C ATOM 86 CE3 TRP A 5 3.243 -1.457 -10.595 1.00 1.21 C ATOM 87 CZ2 TRP A 5 5.304 -0.349 -9.009 1.00 63.05 C ATOM 88 CZ3 TRP A 5 4.357 -0.872 -11.167 1.00 73.23 C ATOM 89 CH2 TRP A 5 5.376 -0.325 -10.376 1.00 34.52 C ATOM 0 H TRP A 5 1.196 -3.890 -6.514 1.00 23.45 H new ATOM 0 HA TRP A 5 0.026 -4.640 -8.924 1.00 74.15 H new ATOM 0 HB2 TRP A 5 0.583 -2.392 -9.646 1.00 74.53 H new ATOM 0 HB3 TRP A 5 0.097 -2.345 -7.963 1.00 74.53 H new ATOM 0 HD1 TRP A 5 2.133 -2.003 -6.115 1.00 1.43 H new ATOM 0 HE1 TRP A 5 4.411 -0.794 -6.317 1.00 63.34 H new ATOM 0 HE3 TRP A 5 2.464 -1.877 -11.214 1.00 1.21 H new ATOM 0 HZ2 TRP A 5 6.090 0.074 -8.400 1.00 63.05 H new ATOM 0 HZ3 TRP A 5 4.444 -0.836 -12.243 1.00 73.23 H new ATOM 0 HH2 TRP A 5 6.234 0.124 -10.854 1.00 34.52 H new ATOM 100 N LEU A 6 3.252 -4.960 -8.883 1.00 50.30 N ATOM 101 CA LEU A 6 4.406 -5.442 -9.635 1.00 12.55 C ATOM 102 C LEU A 6 4.230 -6.906 -10.023 1.00 30.24 C ATOM 103 O LEU A 6 4.803 -7.371 -11.007 1.00 44.33 O ATOM 104 CB LEU A 6 5.683 -5.270 -8.811 1.00 24.11 C ATOM 105 CG LEU A 6 6.889 -6.096 -9.262 1.00 52.43 C ATOM 106 CD1 LEU A 6 7.224 -5.800 -10.716 1.00 31.30 C ATOM 107 CD2 LEU A 6 8.089 -5.819 -8.369 1.00 44.44 C ATOM 0 H LEU A 6 3.421 -4.835 -7.885 1.00 50.30 H new ATOM 0 HA LEU A 6 4.487 -4.851 -10.548 1.00 12.55 H new ATOM 0 HB2 LEU A 6 5.963 -4.217 -8.827 1.00 24.11 H new ATOM 0 HB3 LEU A 6 5.460 -5.525 -7.775 1.00 24.11 H new ATOM 0 HG LEU A 6 6.635 -7.152 -9.177 1.00 52.43 H new ATOM 0 HD11 LEU A 6 8.084 -6.396 -11.020 1.00 31.30 H new ATOM 0 HD12 LEU A 6 6.369 -6.050 -11.344 1.00 31.30 H new ATOM 0 HD13 LEU A 6 7.459 -4.741 -10.827 1.00 31.30 H new ATOM 0 HD21 LEU A 6 8.938 -6.415 -8.705 1.00 44.44 H new ATOM 0 HD22 LEU A 6 8.345 -4.761 -8.422 1.00 44.44 H new ATOM 0 HD23 LEU A 6 7.845 -6.082 -7.340 1.00 44.44 H new ATOM 119 N ALA A 7 3.432 -7.628 -9.243 1.00 13.23 N ATOM 120 CA ALA A 7 3.177 -9.038 -9.507 1.00 73.42 C ATOM 121 C ALA A 7 2.529 -9.232 -10.874 1.00 64.42 C ATOM 122 O ALA A 7 2.738 -10.253 -11.531 1.00 14.34 O ATOM 123 CB ALA A 7 2.297 -9.629 -8.416 1.00 33.33 C ATOM 0 H ALA A 7 2.951 -7.259 -8.423 1.00 13.23 H new ATOM 0 HA ALA A 7 4.134 -9.560 -9.509 1.00 73.42 H new ATOM 0 HB1 ALA A 7 2.115 -10.683 -8.626 1.00 33.33 H new ATOM 0 HB2 ALA A 7 2.798 -9.533 -7.453 1.00 33.33 H new ATOM 0 HB3 ALA A 7 1.347 -9.096 -8.386 1.00 33.33 H new ATOM 129 N TRP A 8 1.744 -8.248 -11.296 1.00 61.24 N ATOM 130 CA TRP A 8 1.066 -8.312 -12.586 1.00 15.10 C ATOM 131 C TRP A 8 2.049 -8.092 -13.730 1.00 40.30 C ATOM 132 O TRP A 8 1.834 -8.564 -14.846 1.00 72.23 O ATOM 133 CB TRP A 8 -0.052 -7.269 -12.650 1.00 24.04 C ATOM 134 CG TRP A 8 -1.117 -7.476 -11.615 1.00 45.53 C ATOM 135 CD1 TRP A 8 -1.516 -8.665 -11.076 1.00 62.13 C ATOM 136 CD2 TRP A 8 -1.919 -6.463 -10.998 1.00 20.43 C ATOM 137 NE1 TRP A 8 -2.518 -8.453 -10.161 1.00 32.44 N ATOM 138 CE2 TRP A 8 -2.783 -7.111 -10.093 1.00 72.23 C ATOM 139 CE3 TRP A 8 -1.990 -5.073 -11.119 1.00 32.13 C ATOM 140 CZ2 TRP A 8 -3.706 -6.415 -9.318 1.00 11.24 C ATOM 141 CZ3 TRP A 8 -2.907 -4.383 -10.348 1.00 60.53 C ATOM 142 CH2 TRP A 8 -3.754 -5.054 -9.457 1.00 34.44 C ATOM 0 H TRP A 8 1.561 -7.397 -10.765 1.00 61.24 H new ATOM 0 HA TRP A 8 0.632 -9.307 -12.691 1.00 15.10 H new ATOM 0 HB2 TRP A 8 0.379 -6.276 -12.524 1.00 24.04 H new ATOM 0 HB3 TRP A 8 -0.507 -7.295 -13.640 1.00 24.04 H new ATOM 0 HD1 TRP A 8 -1.104 -9.630 -11.331 1.00 62.13 H new ATOM 0 HE1 TRP A 8 -2.989 -9.178 -9.620 1.00 32.44 H new ATOM 0 HE3 TRP A 8 -1.340 -4.547 -11.803 1.00 32.13 H new ATOM 0 HZ2 TRP A 8 -4.361 -6.930 -8.631 1.00 11.24 H new ATOM 0 HZ3 TRP A 8 -2.971 -3.308 -10.434 1.00 60.53 H new ATOM 0 HH2 TRP A 8 -4.459 -4.486 -8.868 1.00 34.44 H new ATOM 153 N VAL A 9 3.130 -7.372 -13.446 1.00 14.43 N ATOM 154 CA VAL A 9 4.147 -7.090 -14.451 1.00 62.33 C ATOM 155 C VAL A 9 4.890 -8.360 -14.851 1.00 44.12 C ATOM 156 O VAL A 9 5.338 -8.497 -15.990 1.00 4.33 O ATOM 157 CB VAL A 9 5.165 -6.051 -13.945 1.00 13.04 C ATOM 158 CG1 VAL A 9 6.150 -5.687 -15.045 1.00 72.40 C ATOM 159 CG2 VAL A 9 4.448 -4.812 -13.428 1.00 63.34 C ATOM 0 H VAL A 9 3.324 -6.973 -12.527 1.00 14.43 H new ATOM 0 HA VAL A 9 3.629 -6.685 -15.320 1.00 62.33 H new ATOM 0 HB VAL A 9 5.726 -6.490 -13.120 1.00 13.04 H new ATOM 0 HG11 VAL A 9 6.861 -4.952 -14.668 1.00 72.40 H new ATOM 0 HG12 VAL A 9 6.687 -6.581 -15.363 1.00 72.40 H new ATOM 0 HG13 VAL A 9 5.609 -5.267 -15.893 1.00 72.40 H new ATOM 0 HG21 VAL A 9 5.182 -4.088 -13.074 1.00 63.34 H new ATOM 0 HG22 VAL A 9 3.860 -4.370 -14.232 1.00 63.34 H new ATOM 0 HG23 VAL A 9 3.788 -5.090 -12.607 1.00 63.34 H new ATOM 169 N ASP A 10 5.017 -9.286 -13.908 1.00 22.52 N ATOM 170 CA ASP A 10 5.705 -10.547 -14.162 1.00 30.13 C ATOM 171 C ASP A 10 7.187 -10.312 -14.435 1.00 3.13 C ATOM 172 O ASP A 10 7.678 -10.509 -15.546 1.00 71.45 O ATOM 173 CB ASP A 10 5.064 -11.273 -15.346 1.00 44.41 C ATOM 174 CG ASP A 10 5.287 -12.771 -15.296 1.00 63.31 C ATOM 175 OD1 ASP A 10 6.160 -13.215 -14.521 1.00 73.51 O ATOM 176 OD2 ASP A 10 4.590 -13.500 -16.033 1.00 32.13 O ATOM 0 H ASP A 10 4.653 -9.188 -12.960 1.00 22.52 H new ATOM 0 HA ASP A 10 5.612 -11.169 -13.272 1.00 30.13 H new ATOM 0 HB2 ASP A 10 3.993 -11.068 -15.358 1.00 44.41 H new ATOM 0 HB3 ASP A 10 5.474 -10.878 -16.276 1.00 44.41 H new ATOM 181 N PRO A 11 7.919 -9.879 -13.397 1.00 51.33 N ATOM 182 CA PRO A 11 9.356 -9.607 -13.501 1.00 13.44 C ATOM 183 C PRO A 11 10.176 -10.880 -13.673 1.00 70.45 C ATOM 184 O PRO A 11 11.203 -10.881 -14.351 1.00 5.04 O ATOM 185 CB PRO A 11 9.686 -8.935 -12.166 1.00 3.44 C ATOM 186 CG PRO A 11 8.646 -9.433 -11.223 1.00 11.31 C ATOM 187 CD PRO A 11 7.400 -9.622 -12.043 1.00 40.24 C ATOM 0 HA PRO A 11 9.594 -8.997 -14.372 1.00 13.44 H new ATOM 0 HB2 PRO A 11 10.687 -9.200 -11.827 1.00 3.44 H new ATOM 0 HB3 PRO A 11 9.655 -7.849 -12.251 1.00 3.44 H new ATOM 0 HG2 PRO A 11 8.955 -10.371 -10.761 1.00 11.31 H new ATOM 0 HG3 PRO A 11 8.478 -8.720 -10.416 1.00 11.31 H new ATOM 0 HD2 PRO A 11 6.801 -10.456 -11.677 1.00 40.24 H new ATOM 0 HD3 PRO A 11 6.764 -8.737 -12.018 1.00 40.24 H new ATOM 195 N ALA A 12 9.715 -11.964 -13.057 1.00 51.21 N ATOM 196 CA ALA A 12 10.405 -13.245 -13.145 1.00 40.43 C ATOM 197 C ALA A 12 10.505 -13.716 -14.592 1.00 42.21 C ATOM 198 O ALA A 12 11.572 -14.128 -15.049 1.00 10.25 O ATOM 199 CB ALA A 12 9.693 -14.287 -12.297 1.00 34.53 C ATOM 0 H ALA A 12 8.866 -11.980 -12.491 1.00 51.21 H new ATOM 0 HA ALA A 12 11.417 -13.112 -12.763 1.00 40.43 H new ATOM 0 HB1 ALA A 12 10.219 -15.239 -12.372 1.00 34.53 H new ATOM 0 HB2 ALA A 12 9.679 -13.962 -11.257 1.00 34.53 H new ATOM 0 HB3 ALA A 12 8.670 -14.409 -12.653 1.00 34.53 H new ATOM 205 N TYR A 13 9.388 -13.653 -15.308 1.00 63.04 N ATOM 206 CA TYR A 13 9.350 -14.076 -16.703 1.00 60.41 C ATOM 207 C TYR A 13 10.459 -13.405 -17.507 1.00 24.11 C ATOM 208 O TYR A 13 11.368 -14.069 -18.004 1.00 44.22 O ATOM 209 CB TYR A 13 7.989 -13.750 -17.320 1.00 11.22 C ATOM 210 CG TYR A 13 7.567 -14.717 -18.403 1.00 1.11 C ATOM 211 CD1 TYR A 13 8.442 -15.077 -19.420 1.00 5.21 C ATOM 212 CD2 TYR A 13 6.293 -15.272 -18.408 1.00 40.43 C ATOM 213 CE1 TYR A 13 8.061 -15.959 -20.412 1.00 31.42 C ATOM 214 CE2 TYR A 13 5.903 -16.156 -19.395 1.00 63.14 C ATOM 215 CZ TYR A 13 6.791 -16.496 -20.395 1.00 74.51 C ATOM 216 OH TYR A 13 6.407 -17.377 -21.381 1.00 21.15 O ATOM 0 H TYR A 13 8.497 -13.313 -14.946 1.00 63.04 H new ATOM 0 HA TYR A 13 9.506 -15.154 -16.733 1.00 60.41 H new ATOM 0 HB2 TYR A 13 7.234 -13.747 -16.533 1.00 11.22 H new ATOM 0 HB3 TYR A 13 8.020 -12.743 -17.736 1.00 11.22 H new ATOM 0 HD1 TYR A 13 9.438 -14.660 -19.435 1.00 5.21 H new ATOM 0 HD2 TYR A 13 5.596 -15.008 -17.627 1.00 40.43 H new ATOM 0 HE1 TYR A 13 8.754 -16.227 -21.196 1.00 31.42 H new ATOM 0 HE2 TYR A 13 4.909 -16.579 -19.384 1.00 63.14 H new ATOM 0 HH TYR A 13 5.483 -17.663 -21.222 1.00 21.15 H new ATOM 226 N GLU A 14 10.377 -12.084 -17.629 1.00 13.25 N ATOM 227 CA GLU A 14 11.373 -11.322 -18.372 1.00 3.11 C ATOM 228 C GLU A 14 12.770 -11.551 -17.802 1.00 20.52 C ATOM 229 O GLU A 14 13.760 -11.545 -18.534 1.00 22.15 O ATOM 230 CB GLU A 14 11.036 -9.830 -18.339 1.00 12.12 C ATOM 231 CG GLU A 14 10.850 -9.279 -16.935 1.00 52.10 C ATOM 232 CD GLU A 14 10.462 -7.813 -16.930 1.00 45.23 C ATOM 233 OE1 GLU A 14 10.306 -7.236 -18.027 1.00 22.32 O ATOM 234 OE2 GLU A 14 10.315 -7.242 -15.829 1.00 65.31 O ATOM 0 H GLU A 14 9.631 -11.519 -17.223 1.00 13.25 H new ATOM 0 HA GLU A 14 11.359 -11.667 -19.406 1.00 3.11 H new ATOM 0 HB2 GLU A 14 11.832 -9.275 -18.835 1.00 12.12 H new ATOM 0 HB3 GLU A 14 10.124 -9.659 -18.911 1.00 12.12 H new ATOM 0 HG2 GLU A 14 10.081 -9.856 -16.421 1.00 52.10 H new ATOM 0 HG3 GLU A 14 11.775 -9.408 -16.373 1.00 52.10 H new ATOM 241 N PHE A 15 12.841 -11.753 -16.490 1.00 65.53 N ATOM 242 CA PHE A 15 14.116 -11.983 -15.820 1.00 62.55 C ATOM 243 C PHE A 15 14.755 -13.284 -16.299 1.00 44.33 C ATOM 244 O PHE A 15 15.976 -13.375 -16.433 1.00 21.23 O ATOM 245 CB PHE A 15 13.919 -12.027 -14.304 1.00 21.22 C ATOM 246 CG PHE A 15 15.200 -12.193 -13.537 1.00 41.23 C ATOM 247 CD1 PHE A 15 15.688 -13.456 -13.243 1.00 44.30 C ATOM 248 CD2 PHE A 15 15.916 -11.086 -13.112 1.00 3.24 C ATOM 249 CE1 PHE A 15 16.866 -13.611 -12.537 1.00 44.21 C ATOM 250 CE2 PHE A 15 17.095 -11.235 -12.406 1.00 3.33 C ATOM 251 CZ PHE A 15 17.571 -12.499 -12.119 1.00 64.01 C ATOM 0 H PHE A 15 12.031 -11.762 -15.870 1.00 65.53 H new ATOM 0 HA PHE A 15 14.783 -11.158 -16.069 1.00 62.55 H new ATOM 0 HB2 PHE A 15 13.429 -11.108 -13.983 1.00 21.22 H new ATOM 0 HB3 PHE A 15 13.248 -12.849 -14.057 1.00 21.22 H new ATOM 0 HD1 PHE A 15 15.142 -14.329 -13.569 1.00 44.30 H new ATOM 0 HD2 PHE A 15 15.549 -10.095 -13.335 1.00 3.24 H new ATOM 0 HE1 PHE A 15 17.235 -14.601 -12.312 1.00 44.21 H new ATOM 0 HE2 PHE A 15 17.643 -10.364 -12.079 1.00 3.33 H new ATOM 0 HZ PHE A 15 18.493 -12.618 -11.569 1.00 64.01 H new ATOM 261 N ILE A 16 13.922 -14.286 -16.555 1.00 71.34 N ATOM 262 CA ILE A 16 14.405 -15.581 -17.020 1.00 12.15 C ATOM 263 C ILE A 16 14.924 -15.493 -18.450 1.00 44.15 C ATOM 264 O ILE A 16 15.935 -16.106 -18.795 1.00 3.23 O ATOM 265 CB ILE A 16 13.300 -16.651 -16.952 1.00 34.45 C ATOM 266 CG1 ILE A 16 12.783 -16.792 -15.518 1.00 54.43 C ATOM 267 CG2 ILE A 16 13.822 -17.985 -17.465 1.00 14.10 C ATOM 268 CD1 ILE A 16 11.285 -16.987 -15.433 1.00 21.04 C ATOM 0 H ILE A 16 12.909 -14.227 -16.449 1.00 71.34 H new ATOM 0 HA ILE A 16 15.221 -15.870 -16.357 1.00 12.15 H new ATOM 0 HB ILE A 16 12.472 -16.337 -17.588 1.00 34.45 H new ATOM 0 HG12 ILE A 16 13.279 -17.638 -15.043 1.00 54.43 H new ATOM 0 HG13 ILE A 16 13.058 -15.902 -14.952 1.00 54.43 H new ATOM 0 HG21 ILE A 16 13.029 -18.731 -17.411 1.00 14.10 H new ATOM 0 HG22 ILE A 16 14.146 -17.875 -18.500 1.00 14.10 H new ATOM 0 HG23 ILE A 16 14.665 -18.306 -16.853 1.00 14.10 H new ATOM 0 HD11 ILE A 16 10.989 -17.080 -14.388 1.00 21.04 H new ATOM 0 HD12 ILE A 16 10.781 -16.130 -15.879 1.00 21.04 H new ATOM 0 HD13 ILE A 16 11.005 -17.893 -15.971 1.00 21.04 H new ATOM 280 N LYS A 17 14.227 -14.725 -19.281 1.00 4.10 N ATOM 281 CA LYS A 17 14.619 -14.553 -20.675 1.00 12.30 C ATOM 282 C LYS A 17 15.813 -13.611 -20.792 1.00 52.35 C ATOM 283 O LYS A 17 16.890 -14.010 -21.232 1.00 22.43 O ATOM 284 CB LYS A 17 13.445 -14.009 -21.492 1.00 74.33 C ATOM 285 CG LYS A 17 12.103 -14.602 -21.098 1.00 60.53 C ATOM 286 CD LYS A 17 11.118 -14.570 -22.255 1.00 31.43 C ATOM 287 CE LYS A 17 10.813 -13.145 -22.688 1.00 10.53 C ATOM 288 NZ LYS A 17 9.380 -12.970 -23.054 1.00 61.50 N ATOM 0 H LYS A 17 13.387 -14.212 -19.013 1.00 4.10 H new ATOM 0 HA LYS A 17 14.908 -15.528 -21.069 1.00 12.30 H new ATOM 0 HB2 LYS A 17 13.403 -12.926 -21.375 1.00 74.33 H new ATOM 0 HB3 LYS A 17 13.625 -14.209 -22.548 1.00 74.33 H new ATOM 0 HG2 LYS A 17 12.242 -15.631 -20.766 1.00 60.53 H new ATOM 0 HG3 LYS A 17 11.693 -14.047 -20.254 1.00 60.53 H new ATOM 0 HD2 LYS A 17 11.527 -15.128 -23.098 1.00 31.43 H new ATOM 0 HD3 LYS A 17 10.194 -15.068 -21.961 1.00 31.43 H new ATOM 0 HE2 LYS A 17 11.068 -12.458 -21.881 1.00 10.53 H new ATOM 0 HE3 LYS A 17 11.440 -12.883 -23.540 1.00 10.53 H new ATOM 0 HZ1 LYS A 17 9.213 -11.985 -23.343 1.00 61.50 H new ATOM 0 HZ2 LYS A 17 9.142 -13.607 -23.841 1.00 61.50 H new ATOM 0 HZ3 LYS A 17 8.782 -13.196 -22.233 1.00 61.50 H new ATOM 302 N GLY A 18 15.614 -12.357 -20.395 1.00 73.43 N ATOM 303 CA GLY A 18 16.683 -11.379 -20.463 1.00 64.00 C ATOM 304 C GLY A 18 16.721 -10.653 -21.793 1.00 3.31 C ATOM 305 O GLY A 18 17.747 -10.085 -22.170 1.00 30.15 O ATOM 0 H GLY A 18 14.731 -12.002 -20.028 1.00 73.43 H new ATOM 0 HA2 GLY A 18 16.559 -10.653 -19.660 1.00 64.00 H new ATOM 0 HA3 GLY A 18 17.638 -11.877 -20.297 1.00 64.00 H new ATOM 309 N PHE A 19 15.601 -10.671 -22.508 1.00 21.04 N ATOM 310 CA PHE A 19 15.511 -10.011 -23.805 1.00 30.21 C ATOM 311 C PHE A 19 14.084 -10.062 -24.343 1.00 60.10 C ATOM 312 O PHE A 19 13.328 -10.986 -24.043 1.00 45.44 O ATOM 313 CB PHE A 19 16.468 -10.668 -24.802 1.00 51.32 C ATOM 314 CG PHE A 19 16.011 -12.020 -25.270 1.00 24.13 C ATOM 315 CD1 PHE A 19 15.189 -12.143 -26.378 1.00 62.41 C ATOM 316 CD2 PHE A 19 16.405 -13.168 -24.601 1.00 72.11 C ATOM 317 CE1 PHE A 19 14.767 -13.387 -26.810 1.00 1.32 C ATOM 318 CE2 PHE A 19 15.986 -14.414 -25.028 1.00 62.24 C ATOM 319 CZ PHE A 19 15.167 -14.524 -26.135 1.00 1.51 C ATOM 0 H PHE A 19 14.743 -11.136 -22.211 1.00 21.04 H new ATOM 0 HA PHE A 19 15.794 -8.967 -23.674 1.00 30.21 H new ATOM 0 HB2 PHE A 19 16.585 -10.014 -25.666 1.00 51.32 H new ATOM 0 HB3 PHE A 19 17.451 -10.765 -24.340 1.00 51.32 H new ATOM 0 HD1 PHE A 19 14.874 -11.258 -26.910 1.00 62.41 H new ATOM 0 HD2 PHE A 19 17.047 -13.088 -23.736 1.00 72.11 H new ATOM 0 HE1 PHE A 19 14.125 -13.470 -27.675 1.00 1.32 H new ATOM 0 HE2 PHE A 19 16.299 -15.301 -24.497 1.00 62.24 H new ATOM 0 HZ PHE A 19 14.840 -15.497 -26.472 1.00 1.51 H new ATOM 329 N GLY A 20 13.722 -9.061 -25.140 1.00 1.02 N ATOM 330 CA GLY A 20 12.387 -9.009 -25.707 1.00 22.53 C ATOM 331 C GLY A 20 11.545 -7.901 -25.107 1.00 0.00 C ATOM 332 O GLY A 20 10.318 -7.996 -25.065 1.00 42.02 O ATOM 0 H GLY A 20 14.330 -8.285 -25.403 1.00 1.02 H new ATOM 0 HA2 GLY A 20 12.459 -8.863 -26.785 1.00 22.53 H new ATOM 0 HA3 GLY A 20 11.890 -9.966 -25.547 1.00 22.53 H new ATOM 336 N LYS A 21 12.204 -6.846 -24.639 1.00 62.34 N ATOM 337 CA LYS A 21 11.509 -5.714 -24.038 1.00 64.21 C ATOM 338 C LYS A 21 12.421 -4.493 -23.964 1.00 20.53 C ATOM 339 O LYS A 21 12.245 -3.627 -23.109 1.00 2.52 O ATOM 340 CB LYS A 21 11.013 -6.079 -22.637 1.00 62.52 C ATOM 341 CG LYS A 21 12.107 -6.601 -21.721 1.00 40.42 C ATOM 342 CD LYS A 21 12.771 -5.473 -20.948 1.00 61.43 C ATOM 343 CE LYS A 21 12.948 -5.833 -19.481 1.00 3.40 C ATOM 344 NZ LYS A 21 12.710 -4.663 -18.591 1.00 13.12 N ATOM 0 H LYS A 21 13.219 -6.752 -24.665 1.00 62.34 H new ATOM 0 HA LYS A 21 10.653 -5.469 -24.667 1.00 64.21 H new ATOM 0 HB2 LYS A 21 10.558 -5.200 -22.181 1.00 62.52 H new ATOM 0 HB3 LYS A 21 10.231 -6.834 -22.723 1.00 62.52 H new ATOM 0 HG2 LYS A 21 11.684 -7.323 -21.022 1.00 40.42 H new ATOM 0 HG3 LYS A 21 12.856 -7.129 -22.311 1.00 40.42 H new ATOM 0 HD2 LYS A 21 13.743 -5.251 -21.389 1.00 61.43 H new ATOM 0 HD3 LYS A 21 12.168 -4.569 -21.032 1.00 61.43 H new ATOM 0 HE2 LYS A 21 12.259 -6.636 -19.218 1.00 3.40 H new ATOM 0 HE3 LYS A 21 13.957 -6.213 -19.319 1.00 3.40 H new ATOM 0 HZ1 LYS A 21 12.840 -4.949 -17.600 1.00 13.12 H new ATOM 0 HZ2 LYS A 21 13.384 -3.906 -18.825 1.00 13.12 H new ATOM 0 HZ3 LYS A 21 11.739 -4.316 -18.726 1.00 13.12 H new ATOM 358 N GLY A 22 13.395 -4.432 -24.867 1.00 2.14 N ATOM 359 CA GLY A 22 14.319 -3.313 -24.886 1.00 53.42 C ATOM 360 C GLY A 22 15.665 -3.661 -24.284 1.00 64.53 C ATOM 361 O GLY A 22 16.658 -2.975 -24.527 1.00 32.40 O ATOM 0 H GLY A 22 13.561 -5.137 -25.585 1.00 2.14 H new ATOM 0 HA2 GLY A 22 14.460 -2.980 -25.914 1.00 53.42 H new ATOM 0 HA3 GLY A 22 13.884 -2.478 -24.337 1.00 53.42 H new ATOM 365 N ALA A 23 15.700 -4.730 -23.495 1.00 62.54 N ATOM 366 CA ALA A 23 16.935 -5.169 -22.857 1.00 61.12 C ATOM 367 C ALA A 23 18.020 -5.446 -23.893 1.00 11.44 C ATOM 368 O ALA A 23 19.055 -4.779 -23.914 1.00 52.40 O ATOM 369 CB ALA A 23 16.681 -6.409 -22.012 1.00 40.42 C ATOM 0 H ALA A 23 14.887 -5.308 -23.282 1.00 62.54 H new ATOM 0 HA ALA A 23 17.285 -4.366 -22.208 1.00 61.12 H new ATOM 0 HB1 ALA A 23 17.612 -6.726 -21.542 1.00 40.42 H new ATOM 0 HB2 ALA A 23 15.945 -6.180 -21.242 1.00 40.42 H new ATOM 0 HB3 ALA A 23 16.304 -7.211 -22.647 1.00 40.42 H new ATOM 375 N ILE A 24 17.777 -6.433 -24.748 1.00 52.53 N ATOM 376 CA ILE A 24 18.733 -6.796 -25.786 1.00 64.12 C ATOM 377 C ILE A 24 18.790 -5.734 -26.878 1.00 52.55 C ATOM 378 O ILE A 24 19.825 -5.534 -27.514 1.00 25.32 O ATOM 379 CB ILE A 24 18.384 -8.154 -26.424 1.00 14.42 C ATOM 380 CG1 ILE A 24 19.543 -8.648 -27.292 1.00 14.11 C ATOM 381 CG2 ILE A 24 17.109 -8.039 -27.247 1.00 63.40 C ATOM 382 CD1 ILE A 24 20.682 -9.244 -26.496 1.00 23.02 C ATOM 0 H ILE A 24 16.926 -6.996 -24.742 1.00 52.53 H new ATOM 0 HA ILE A 24 19.708 -6.870 -25.304 1.00 64.12 H new ATOM 0 HB ILE A 24 18.216 -8.881 -25.629 1.00 14.42 H new ATOM 0 HG12 ILE A 24 19.169 -9.395 -27.992 1.00 14.11 H new ATOM 0 HG13 ILE A 24 19.922 -7.816 -27.886 1.00 14.11 H new ATOM 0 HG21 ILE A 24 16.875 -9.006 -27.692 1.00 63.40 H new ATOM 0 HG22 ILE A 24 16.287 -7.727 -26.603 1.00 63.40 H new ATOM 0 HG23 ILE A 24 17.251 -7.301 -28.037 1.00 63.40 H new ATOM 0 HD11 ILE A 24 21.468 -9.573 -27.176 1.00 23.02 H new ATOM 0 HD12 ILE A 24 21.082 -8.493 -25.815 1.00 23.02 H new ATOM 0 HD13 ILE A 24 20.318 -10.097 -25.923 1.00 23.02 H new ATOM 394 N LYS A 25 17.669 -5.052 -27.091 1.00 45.42 N ATOM 395 CA LYS A 25 17.590 -4.006 -28.104 1.00 62.04 C ATOM 396 C LYS A 25 18.527 -2.850 -27.768 1.00 21.31 C ATOM 397 O LYS A 25 19.335 -2.433 -28.597 1.00 72.32 O ATOM 398 CB LYS A 25 16.154 -3.493 -28.226 1.00 74.11 C ATOM 399 CG LYS A 25 15.116 -4.600 -28.294 1.00 21.32 C ATOM 400 CD LYS A 25 13.741 -4.055 -28.640 1.00 74.32 C ATOM 401 CE LYS A 25 12.643 -5.045 -28.283 1.00 74.52 C ATOM 402 NZ LYS A 25 11.775 -5.357 -29.453 1.00 21.12 N ATOM 0 H LYS A 25 16.802 -5.205 -26.575 1.00 45.42 H new ATOM 0 HA LYS A 25 17.899 -4.435 -29.057 1.00 62.04 H new ATOM 0 HB2 LYS A 25 15.933 -2.851 -27.373 1.00 74.11 H new ATOM 0 HB3 LYS A 25 16.073 -2.875 -29.120 1.00 74.11 H new ATOM 0 HG2 LYS A 25 15.415 -5.335 -29.041 1.00 21.32 H new ATOM 0 HG3 LYS A 25 15.072 -5.118 -27.336 1.00 21.32 H new ATOM 0 HD2 LYS A 25 13.575 -3.118 -28.108 1.00 74.32 H new ATOM 0 HD3 LYS A 25 13.696 -3.828 -29.705 1.00 74.32 H new ATOM 0 HE2 LYS A 25 13.091 -5.965 -27.908 1.00 74.52 H new ATOM 0 HE3 LYS A 25 12.033 -4.636 -27.477 1.00 74.52 H new ATOM 0 HZ1 LYS A 25 11.039 -6.035 -29.169 1.00 21.12 H new ATOM 0 HZ2 LYS A 25 11.327 -4.483 -29.796 1.00 21.12 H new ATOM 0 HZ3 LYS A 25 12.352 -5.771 -30.213 1.00 21.12 H new ATOM 416 N GLU A 26 18.414 -2.339 -26.546 1.00 53.31 N ATOM 417 CA GLU A 26 19.252 -1.232 -26.101 1.00 51.54 C ATOM 418 C GLU A 26 20.669 -1.710 -25.797 1.00 52.24 C ATOM 419 O GLU A 26 21.559 -0.909 -25.516 1.00 10.31 O ATOM 420 CB GLU A 26 18.647 -0.572 -24.860 1.00 44.54 C ATOM 421 CG GLU A 26 18.870 -1.361 -23.582 1.00 33.44 C ATOM 422 CD GLU A 26 19.913 -0.731 -22.680 1.00 42.42 C ATOM 423 OE1 GLU A 26 19.850 0.499 -22.471 1.00 43.11 O ATOM 424 OE2 GLU A 26 20.792 -1.466 -22.184 1.00 42.33 O ATOM 0 H GLU A 26 17.751 -2.674 -25.847 1.00 53.31 H new ATOM 0 HA GLU A 26 19.300 -0.499 -26.907 1.00 51.54 H new ATOM 0 HB2 GLU A 26 19.076 0.423 -24.742 1.00 44.54 H new ATOM 0 HB3 GLU A 26 17.576 -0.441 -25.014 1.00 44.54 H new ATOM 0 HG2 GLU A 26 17.928 -1.441 -23.040 1.00 33.44 H new ATOM 0 HG3 GLU A 26 19.179 -2.375 -23.835 1.00 33.44 H new ATOM 431 N GLY A 27 20.869 -3.023 -25.856 1.00 44.12 N ATOM 432 CA GLY A 27 22.179 -3.586 -25.584 1.00 71.23 C ATOM 433 C GLY A 27 22.984 -3.818 -26.848 1.00 31.24 C ATOM 434 O GLY A 27 24.153 -3.444 -26.924 1.00 23.13 O ATOM 0 H GLY A 27 20.148 -3.707 -26.087 1.00 44.12 H new ATOM 0 HA2 GLY A 27 22.729 -2.915 -24.924 1.00 71.23 H new ATOM 0 HA3 GLY A 27 22.062 -4.531 -25.053 1.00 71.23 H new ATOM 438 N ASN A 28 22.357 -4.439 -27.841 1.00 73.04 N ATOM 439 CA ASN A 28 23.023 -4.723 -29.107 1.00 44.31 C ATOM 440 C ASN A 28 23.240 -3.442 -29.907 1.00 53.21 C ATOM 441 O ASN A 28 24.239 -3.297 -30.611 1.00 62.43 O ATOM 442 CB ASN A 28 22.201 -5.718 -29.929 1.00 3.23 C ATOM 443 CG ASN A 28 21.143 -5.035 -30.774 1.00 3.12 C ATOM 444 OD1 ASN A 28 21.280 -4.928 -31.993 1.00 22.14 O ATOM 445 ND2 ASN A 28 20.081 -4.568 -30.128 1.00 72.31 N ATOM 0 H ASN A 28 21.388 -4.755 -27.794 1.00 73.04 H new ATOM 0 HA ASN A 28 23.996 -5.162 -28.886 1.00 44.31 H new ATOM 0 HB2 ASN A 28 22.867 -6.288 -30.577 1.00 3.23 H new ATOM 0 HB3 ASN A 28 21.722 -6.431 -29.258 1.00 3.23 H new ATOM 0 HD21 ASN A 28 19.337 -4.098 -30.643 1.00 72.31 H new ATOM 0 HD22 ASN A 28 20.010 -4.679 -29.117 1.00 72.31 H new ATOM 452 N LYS A 29 22.296 -2.513 -29.793 1.00 70.34 N ATOM 453 CA LYS A 29 22.382 -1.243 -30.504 1.00 4.14 C ATOM 454 C LYS A 29 23.368 -0.302 -29.818 1.00 64.31 C ATOM 455 O LYS A 29 23.948 0.577 -30.456 1.00 31.11 O ATOM 456 CB LYS A 29 21.003 -0.584 -30.582 1.00 63.11 C ATOM 457 CG LYS A 29 20.569 0.075 -29.284 1.00 43.14 C ATOM 458 CD LYS A 29 19.094 0.439 -29.310 1.00 3.01 C ATOM 459 CE LYS A 29 18.850 1.819 -28.719 1.00 4.11 C ATOM 460 NZ LYS A 29 17.818 1.789 -27.646 1.00 25.53 N ATOM 0 H LYS A 29 21.462 -2.616 -29.215 1.00 70.34 H new ATOM 0 HA LYS A 29 22.740 -1.444 -31.514 1.00 4.14 H new ATOM 0 HB2 LYS A 29 21.012 0.164 -31.374 1.00 63.11 H new ATOM 0 HB3 LYS A 29 20.266 -1.336 -30.862 1.00 63.11 H new ATOM 0 HG2 LYS A 29 20.764 -0.599 -28.450 1.00 43.14 H new ATOM 0 HG3 LYS A 29 21.163 0.973 -29.114 1.00 43.14 H new ATOM 0 HD2 LYS A 29 18.730 0.412 -30.337 1.00 3.01 H new ATOM 0 HD3 LYS A 29 18.525 -0.303 -28.750 1.00 3.01 H new ATOM 0 HE2 LYS A 29 19.783 2.211 -28.314 1.00 4.11 H new ATOM 0 HE3 LYS A 29 18.534 2.501 -29.508 1.00 4.11 H new ATOM 0 HZ1 LYS A 29 17.484 2.756 -27.458 1.00 25.53 H new ATOM 0 HZ2 LYS A 29 17.017 1.199 -27.951 1.00 25.53 H new ATOM 0 HZ3 LYS A 29 18.231 1.391 -26.778 1.00 25.53 H new ATOM 474 N ASP A 30 23.555 -0.494 -28.517 1.00 32.21 N ATOM 475 CA ASP A 30 24.473 0.336 -27.746 1.00 20.45 C ATOM 476 C ASP A 30 25.914 0.117 -28.198 1.00 35.25 C ATOM 477 O ASP A 30 26.805 0.900 -27.868 1.00 71.32 O ATOM 478 CB ASP A 30 24.341 0.028 -26.253 1.00 63.32 C ATOM 479 CG ASP A 30 23.596 1.113 -25.502 1.00 34.13 C ATOM 480 OD1 ASP A 30 22.667 1.709 -26.087 1.00 65.40 O ATOM 481 OD2 ASP A 30 23.941 1.367 -24.329 1.00 12.15 O ATOM 0 H ASP A 30 23.083 -1.217 -27.974 1.00 32.21 H new ATOM 0 HA ASP A 30 24.212 1.380 -27.918 1.00 20.45 H new ATOM 0 HB2 ASP A 30 23.820 -0.921 -26.125 1.00 63.32 H new ATOM 0 HB3 ASP A 30 25.334 -0.093 -25.821 1.00 63.32 H new ATOM 486 N LYS A 31 26.135 -0.953 -28.953 1.00 70.52 N ATOM 487 CA LYS A 31 27.467 -1.277 -29.451 1.00 54.33 C ATOM 488 C LYS A 31 28.012 -0.147 -30.319 1.00 3.35 C ATOM 489 O LYS A 31 29.220 -0.045 -30.534 1.00 71.33 O ATOM 490 CB LYS A 31 27.431 -2.579 -30.255 1.00 11.33 C ATOM 491 CG LYS A 31 26.974 -3.780 -29.446 1.00 21.33 C ATOM 492 CD LYS A 31 27.939 -4.090 -28.313 1.00 40.25 C ATOM 493 CE LYS A 31 28.511 -5.494 -28.437 1.00 10.23 C ATOM 494 NZ LYS A 31 27.716 -6.487 -27.663 1.00 14.44 N ATOM 0 H LYS A 31 25.408 -1.611 -29.234 1.00 70.52 H new ATOM 0 HA LYS A 31 28.127 -1.405 -28.593 1.00 54.33 H new ATOM 0 HB2 LYS A 31 26.765 -2.451 -31.108 1.00 11.33 H new ATOM 0 HB3 LYS A 31 28.426 -2.777 -30.654 1.00 11.33 H new ATOM 0 HG2 LYS A 31 25.982 -3.588 -29.038 1.00 21.33 H new ATOM 0 HG3 LYS A 31 26.888 -4.648 -30.099 1.00 21.33 H new ATOM 0 HD2 LYS A 31 28.751 -3.363 -28.316 1.00 40.25 H new ATOM 0 HD3 LYS A 31 27.425 -3.989 -27.357 1.00 40.25 H new ATOM 0 HE2 LYS A 31 28.533 -5.786 -29.487 1.00 10.23 H new ATOM 0 HE3 LYS A 31 29.542 -5.499 -28.083 1.00 10.23 H new ATOM 0 HZ1 LYS A 31 28.138 -7.431 -27.773 1.00 14.44 H new ATOM 0 HZ2 LYS A 31 27.716 -6.223 -26.657 1.00 14.44 H new ATOM 0 HZ3 LYS A 31 26.738 -6.501 -28.018 1.00 14.44 H new ATOM 508 N TRP A 32 27.116 0.700 -30.811 1.00 53.12 N ATOM 509 CA TRP A 32 27.509 1.824 -31.654 1.00 15.01 C ATOM 510 C TRP A 32 28.487 2.736 -30.923 1.00 44.30 C ATOM 511 O TRP A 32 29.209 3.516 -31.546 1.00 32.22 O ATOM 512 CB TRP A 32 26.276 2.620 -32.085 1.00 74.35 C ATOM 513 CG TRP A 32 25.761 3.542 -31.022 1.00 22.45 C ATOM 514 CD1 TRP A 32 25.293 3.189 -29.788 1.00 54.11 C ATOM 515 CD2 TRP A 32 25.662 4.968 -31.098 1.00 71.21 C ATOM 516 NE1 TRP A 32 24.908 4.310 -29.093 1.00 51.43 N ATOM 517 CE2 TRP A 32 25.125 5.414 -29.875 1.00 2.34 C ATOM 518 CE3 TRP A 32 25.976 5.911 -32.080 1.00 11.20 C ATOM 519 CZ2 TRP A 32 24.896 6.762 -29.610 1.00 73.14 C ATOM 520 CZ3 TRP A 32 25.747 7.248 -31.816 1.00 42.34 C ATOM 521 CH2 TRP A 32 25.212 7.664 -30.590 1.00 22.23 C ATOM 0 H TRP A 32 26.113 0.631 -30.641 1.00 53.12 H new ATOM 0 HA TRP A 32 28.004 1.426 -32.540 1.00 15.01 H new ATOM 0 HB2 TRP A 32 26.521 3.202 -32.973 1.00 74.35 H new ATOM 0 HB3 TRP A 32 25.485 1.925 -32.368 1.00 74.35 H new ATOM 0 HD1 TRP A 32 25.234 2.178 -29.414 1.00 54.11 H new ATOM 0 HE1 TRP A 32 24.523 4.319 -28.148 1.00 51.43 H new ATOM 0 HE3 TRP A 32 26.390 5.601 -33.028 1.00 11.20 H new ATOM 0 HZ2 TRP A 32 24.484 7.084 -28.665 1.00 73.14 H new ATOM 0 HZ3 TRP A 32 25.985 7.985 -32.568 1.00 42.34 H new ATOM 0 HH2 TRP A 32 25.046 8.717 -30.415 1.00 22.23 H new ATOM 532 N LYS A 33 28.508 2.635 -29.598 1.00 61.54 N ATOM 533 CA LYS A 33 29.400 3.449 -28.782 1.00 11.42 C ATOM 534 C LYS A 33 30.855 3.241 -29.190 1.00 75.54 C ATOM 535 O LYS A 33 31.711 4.082 -28.923 1.00 10.04 O ATOM 536 CB LYS A 33 29.221 3.109 -27.300 1.00 43.44 C ATOM 537 CG LYS A 33 29.913 1.823 -26.884 1.00 33.31 C ATOM 538 CD LYS A 33 29.014 0.965 -26.008 1.00 44.33 C ATOM 539 CE LYS A 33 29.718 0.551 -24.725 1.00 10.21 C ATOM 540 NZ LYS A 33 28.758 0.363 -23.602 1.00 60.21 N ATOM 0 H LYS A 33 27.916 1.996 -29.066 1.00 61.54 H new ATOM 0 HA LYS A 33 29.143 4.496 -28.943 1.00 11.42 H new ATOM 0 HB2 LYS A 33 29.608 3.931 -26.698 1.00 43.44 H new ATOM 0 HB3 LYS A 33 28.156 3.026 -27.081 1.00 43.44 H new ATOM 0 HG2 LYS A 33 30.202 1.260 -27.772 1.00 33.31 H new ATOM 0 HG3 LYS A 33 30.830 2.060 -26.344 1.00 33.31 H new ATOM 0 HD2 LYS A 33 28.107 1.518 -25.764 1.00 44.33 H new ATOM 0 HD3 LYS A 33 28.708 0.076 -26.559 1.00 44.33 H new ATOM 0 HE2 LYS A 33 30.265 -0.376 -24.894 1.00 10.21 H new ATOM 0 HE3 LYS A 33 30.452 1.309 -24.452 1.00 10.21 H new ATOM 0 HZ1 LYS A 33 29.276 0.081 -22.746 1.00 60.21 H new ATOM 0 HZ2 LYS A 33 28.253 1.255 -23.424 1.00 60.21 H new ATOM 0 HZ3 LYS A 33 28.073 -0.379 -23.851 1.00 60.21 H new ATOM 554 N ASN A 34 31.126 2.114 -29.841 1.00 73.04 N ATOM 555 CA ASN A 34 32.477 1.796 -30.288 1.00 21.41 C ATOM 556 C ASN A 34 32.469 1.285 -31.726 1.00 10.33 C ATOM 557 O ASN A 34 33.395 1.549 -32.494 1.00 31.45 O ATOM 558 CB ASN A 34 33.107 0.749 -29.367 1.00 25.10 C ATOM 559 CG ASN A 34 34.606 0.931 -29.225 1.00 2.52 C ATOM 560 OD1 ASN A 34 35.085 1.471 -28.227 1.00 41.44 O ATOM 561 ND2 ASN A 34 35.354 0.481 -30.225 1.00 65.01 N ATOM 0 H ASN A 34 30.428 1.406 -30.070 1.00 73.04 H new ATOM 0 HA ASN A 34 33.070 2.710 -30.249 1.00 21.41 H new ATOM 0 HB2 ASN A 34 32.642 0.808 -28.383 1.00 25.10 H new ATOM 0 HB3 ASN A 34 32.900 -0.247 -29.759 1.00 25.10 H new ATOM 0 HD21 ASN A 34 36.369 0.576 -30.186 1.00 65.01 H new ATOM 0 HD22 ASN A 34 34.914 0.040 -31.033 1.00 65.01 H new ATOM 568 N ILE A 35 31.418 0.555 -32.082 1.00 52.15 N ATOM 569 CA ILE A 35 31.288 0.010 -33.428 1.00 65.30 C ATOM 570 C ILE A 35 32.394 -0.998 -33.721 1.00 65.33 C ATOM 571 O ILE A 35 32.300 -2.167 -33.346 1.00 55.02 O ATOM 572 CB ILE A 35 31.328 1.122 -34.492 1.00 54.15 C ATOM 573 CG1 ILE A 35 30.363 2.250 -34.119 1.00 24.22 C ATOM 574 CG2 ILE A 35 30.984 0.556 -35.862 1.00 43.45 C ATOM 575 CD1 ILE A 35 30.360 3.394 -35.108 1.00 1.43 C ATOM 0 H ILE A 35 30.644 0.327 -31.458 1.00 52.15 H new ATOM 0 HA ILE A 35 30.321 -0.491 -33.474 1.00 65.30 H new ATOM 0 HB ILE A 35 32.338 1.531 -34.531 1.00 54.15 H new ATOM 0 HG12 ILE A 35 29.354 1.844 -34.042 1.00 24.22 H new ATOM 0 HG13 ILE A 35 30.628 2.633 -33.134 1.00 24.22 H new ATOM 0 HG21 ILE A 35 31.016 1.354 -36.604 1.00 43.45 H new ATOM 0 HG22 ILE A 35 31.706 -0.216 -36.128 1.00 43.45 H new ATOM 0 HG23 ILE A 35 29.983 0.125 -35.837 1.00 43.45 H new ATOM 0 HD11 ILE A 35 29.654 4.157 -34.780 1.00 1.43 H new ATOM 0 HD12 ILE A 35 31.359 3.826 -35.167 1.00 1.43 H new ATOM 0 HD13 ILE A 35 30.065 3.025 -36.090 1.00 1.43 H new TER 587 ILE A 35