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+ 180:sc= 0 (180deg=0) 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+ -150:sc= -0.402 (180deg=-1.18) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= -1.33 (180deg=-1.91) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.957 X(o=-0.96,f=-0.47) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.522 X(o=-0.52,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.770 2.099 -11.951 1.00 14.43 N ATOM 2 CA LYS A 1 9.670 2.887 -12.784 1.00 61.03 C ATOM 3 C LYS A 1 10.885 2.064 -13.201 1.00 52.03 C ATOM 4 O LYS A 1 11.155 1.895 -14.391 1.00 33.04 O ATOM 5 CB LYS A 1 10.124 4.142 -12.036 1.00 12.41 C ATOM 6 CG LYS A 1 9.691 5.437 -12.702 1.00 1.12 C ATOM 7 CD LYS A 1 8.229 5.744 -12.427 1.00 34.04 C ATOM 8 CE LYS A 1 7.478 6.076 -13.707 1.00 43.23 C ATOM 9 NZ LYS A 1 6.046 5.677 -13.630 1.00 53.13 N ATOM 0 H1 LYS A 1 7.951 2.679 -11.679 1.00 14.43 H new ATOM 0 H2 LYS A 1 8.444 1.267 -12.483 1.00 14.43 H new ATOM 0 H3 LYS A 1 9.272 1.788 -11.095 1.00 14.43 H new ATOM 0 HA LYS A 1 9.127 3.183 -13.682 1.00 61.03 H new ATOM 0 HB2 LYS A 1 9.726 4.114 -11.022 1.00 12.41 H new ATOM 0 HB3 LYS A 1 11.211 4.132 -11.952 1.00 12.41 H new ATOM 0 HG2 LYS A 1 10.310 6.258 -12.340 1.00 1.12 H new ATOM 0 HG3 LYS A 1 9.853 5.366 -13.778 1.00 1.12 H new ATOM 0 HD2 LYS A 1 7.761 4.887 -11.942 1.00 34.04 H new ATOM 0 HD3 LYS A 1 8.156 6.582 -11.734 1.00 34.04 H new ATOM 0 HE2 LYS A 1 7.547 7.146 -13.901 1.00 43.23 H new ATOM 0 HE3 LYS A 1 7.951 5.569 -14.548 1.00 43.23 H new ATOM 0 HZ1 LYS A 1 5.569 5.920 -14.522 1.00 53.13 H new ATOM 0 HZ2 LYS A 1 5.979 4.651 -13.470 1.00 53.13 H new ATOM 0 HZ3 LYS A 1 5.587 6.180 -12.844 1.00 53.13 H new ATOM 23 N LYS A 2 11.614 1.553 -12.215 1.00 61.34 N ATOM 24 CA LYS A 2 12.799 0.745 -12.479 1.00 32.40 C ATOM 25 C LYS A 2 12.410 -0.670 -12.897 1.00 25.11 C ATOM 26 O LYS A 2 11.231 -1.024 -12.903 1.00 43.43 O ATOM 27 CB LYS A 2 13.693 0.694 -11.238 1.00 62.13 C ATOM 28 CG LYS A 2 15.134 1.088 -11.511 1.00 4.21 C ATOM 29 CD LYS A 2 16.105 0.263 -10.683 1.00 33.25 C ATOM 30 CE LYS A 2 16.437 0.948 -9.366 1.00 52.41 C ATOM 31 NZ LYS A 2 17.870 1.347 -9.294 1.00 72.23 N ATOM 0 H LYS A 2 11.405 1.684 -11.225 1.00 61.34 H new ATOM 0 HA LYS A 2 13.350 1.208 -13.297 1.00 32.40 H new ATOM 0 HB2 LYS A 2 13.282 1.357 -10.477 1.00 62.13 H new ATOM 0 HB3 LYS A 2 13.673 -0.315 -10.827 1.00 62.13 H new ATOM 0 HG2 LYS A 2 15.354 0.955 -12.570 1.00 4.21 H new ATOM 0 HG3 LYS A 2 15.271 2.146 -11.287 1.00 4.21 H new ATOM 0 HD2 LYS A 2 15.674 -0.718 -10.485 1.00 33.25 H new ATOM 0 HD3 LYS A 2 17.021 0.100 -11.250 1.00 33.25 H new ATOM 0 HE2 LYS A 2 15.808 1.830 -9.247 1.00 52.41 H new ATOM 0 HE3 LYS A 2 16.205 0.277 -8.539 1.00 52.41 H new ATOM 0 HZ1 LYS A 2 18.056 1.810 -8.382 1.00 72.23 H new ATOM 0 HZ2 LYS A 2 18.470 0.502 -9.382 1.00 72.23 H new ATOM 0 HZ3 LYS A 2 18.086 2.007 -10.068 1.00 72.23 H new ATOM 45 N TRP A 3 13.409 -1.474 -13.243 1.00 73.44 N ATOM 46 CA TRP A 3 13.171 -2.851 -13.661 1.00 73.51 C ATOM 47 C TRP A 3 13.142 -3.788 -12.458 1.00 42.02 C ATOM 48 O TRP A 3 12.514 -4.845 -12.498 1.00 24.24 O ATOM 49 CB TRP A 3 14.250 -3.301 -14.647 1.00 40.33 C ATOM 50 CG TRP A 3 13.721 -4.157 -15.758 1.00 13.21 C ATOM 51 CD1 TRP A 3 13.683 -5.521 -15.794 1.00 35.52 C ATOM 52 CD2 TRP A 3 13.156 -3.705 -16.994 1.00 0.05 C ATOM 53 NE1 TRP A 3 13.128 -5.945 -16.977 1.00 61.35 N ATOM 54 CE2 TRP A 3 12.796 -4.850 -17.730 1.00 70.34 C ATOM 55 CE3 TRP A 3 12.918 -2.445 -17.548 1.00 55.23 C ATOM 56 CZ2 TRP A 3 12.212 -4.770 -18.992 1.00 24.20 C ATOM 57 CZ3 TRP A 3 12.339 -2.367 -18.801 1.00 35.14 C ATOM 58 CH2 TRP A 3 11.990 -3.524 -19.511 1.00 4.40 C ATOM 0 H TRP A 3 14.391 -1.197 -13.242 1.00 73.44 H new ATOM 0 HA TRP A 3 12.199 -2.892 -14.153 1.00 73.51 H new ATOM 0 HB2 TRP A 3 14.732 -2.421 -15.074 1.00 40.33 H new ATOM 0 HB3 TRP A 3 15.018 -3.854 -14.106 1.00 40.33 H new ATOM 0 HD1 TRP A 3 14.037 -6.171 -15.008 1.00 35.52 H new ATOM 0 HE1 TRP A 3 12.986 -6.917 -17.250 1.00 61.35 H new ATOM 0 HE3 TRP A 3 13.182 -1.548 -17.007 1.00 55.23 H new ATOM 0 HZ2 TRP A 3 11.944 -5.660 -19.541 1.00 24.20 H new ATOM 0 HZ3 TRP A 3 12.152 -1.398 -19.240 1.00 35.14 H new ATOM 0 HH2 TRP A 3 11.537 -3.430 -20.487 1.00 4.40 H new ATOM 69 N GLY A 4 13.826 -3.392 -11.389 1.00 23.31 N ATOM 70 CA GLY A 4 13.866 -4.209 -10.190 1.00 14.44 C ATOM 71 C GLY A 4 12.492 -4.412 -9.582 1.00 21.05 C ATOM 72 O GLY A 4 12.218 -5.454 -8.986 1.00 1.33 O ATOM 0 H GLY A 4 14.353 -2.521 -11.332 1.00 23.31 H new ATOM 0 HA2 GLY A 4 14.301 -5.179 -10.429 1.00 14.44 H new ATOM 0 HA3 GLY A 4 14.520 -3.739 -9.455 1.00 14.44 H new ATOM 76 N TRP A 5 11.628 -3.415 -9.730 1.00 53.13 N ATOM 77 CA TRP A 5 10.275 -3.489 -9.189 1.00 43.11 C ATOM 78 C TRP A 5 9.374 -4.328 -10.088 1.00 63.14 C ATOM 79 O TRP A 5 8.464 -5.007 -9.612 1.00 20.52 O ATOM 80 CB TRP A 5 9.691 -2.085 -9.028 1.00 53.43 C ATOM 81 CG TRP A 5 8.246 -2.085 -8.631 1.00 14.23 C ATOM 82 CD1 TRP A 5 7.191 -1.639 -9.375 1.00 72.31 C ATOM 83 CD2 TRP A 5 7.697 -2.551 -7.393 1.00 4.21 C ATOM 84 NE1 TRP A 5 6.020 -1.800 -8.674 1.00 73.34 N ATOM 85 CE2 TRP A 5 6.303 -2.358 -7.456 1.00 64.30 C ATOM 86 CE3 TRP A 5 8.248 -3.114 -6.239 1.00 11.25 C ATOM 87 CZ2 TRP A 5 5.456 -2.708 -6.408 1.00 72.02 C ATOM 88 CZ3 TRP A 5 7.405 -3.460 -5.199 1.00 64.14 C ATOM 89 CH2 TRP A 5 6.022 -3.257 -5.290 1.00 31.11 C ATOM 0 H TRP A 5 11.839 -2.546 -10.220 1.00 53.13 H new ATOM 0 HA TRP A 5 10.327 -3.968 -8.211 1.00 43.11 H new ATOM 0 HB2 TRP A 5 10.267 -1.544 -8.277 1.00 53.43 H new ATOM 0 HB3 TRP A 5 9.802 -1.543 -9.967 1.00 53.43 H new ATOM 0 HD1 TRP A 5 7.266 -1.221 -10.368 1.00 72.31 H new ATOM 0 HE1 TRP A 5 5.090 -1.545 -9.007 1.00 73.34 H new ATOM 0 HE3 TRP A 5 9.313 -3.276 -6.161 1.00 11.25 H new ATOM 0 HZ2 TRP A 5 4.390 -2.552 -6.475 1.00 72.02 H new ATOM 0 HZ3 TRP A 5 7.820 -3.894 -4.301 1.00 64.14 H new ATOM 0 HH2 TRP A 5 5.390 -3.540 -4.461 1.00 31.11 H new ATOM 100 N LEU A 6 9.633 -4.277 -11.390 1.00 72.44 N ATOM 101 CA LEU A 6 8.844 -5.034 -12.357 1.00 25.00 C ATOM 102 C LEU A 6 9.198 -6.517 -12.306 1.00 35.02 C ATOM 103 O LEU A 6 8.382 -7.371 -12.652 1.00 64.50 O ATOM 104 CB LEU A 6 9.075 -4.492 -13.769 1.00 13.34 C ATOM 105 CG LEU A 6 8.276 -3.244 -14.147 1.00 1.32 C ATOM 106 CD1 LEU A 6 9.048 -2.400 -15.149 1.00 51.50 C ATOM 107 CD2 LEU A 6 6.916 -3.631 -14.708 1.00 52.13 C ATOM 0 H LEU A 6 10.382 -3.720 -11.801 1.00 72.44 H new ATOM 0 HA LEU A 6 7.791 -4.921 -12.098 1.00 25.00 H new ATOM 0 HB2 LEU A 6 10.136 -4.268 -13.882 1.00 13.34 H new ATOM 0 HB3 LEU A 6 8.838 -5.281 -14.483 1.00 13.34 H new ATOM 0 HG LEU A 6 8.119 -2.650 -13.247 1.00 1.32 H new ATOM 0 HD11 LEU A 6 8.464 -1.516 -15.407 1.00 51.50 H new ATOM 0 HD12 LEU A 6 9.998 -2.093 -14.711 1.00 51.50 H new ATOM 0 HD13 LEU A 6 9.236 -2.985 -16.049 1.00 51.50 H new ATOM 0 HD21 LEU A 6 6.361 -2.730 -14.971 1.00 52.13 H new ATOM 0 HD22 LEU A 6 7.051 -4.247 -15.597 1.00 52.13 H new ATOM 0 HD23 LEU A 6 6.360 -4.193 -13.958 1.00 52.13 H new ATOM 119 N ALA A 7 10.417 -6.815 -11.870 1.00 0.04 N ATOM 120 CA ALA A 7 10.876 -8.195 -11.769 1.00 4.42 C ATOM 121 C ALA A 7 10.036 -8.982 -10.769 1.00 55.43 C ATOM 122 O ALA A 7 9.942 -10.206 -10.851 1.00 63.30 O ATOM 123 CB ALA A 7 12.345 -8.234 -11.373 1.00 31.41 C ATOM 0 H ALA A 7 11.105 -6.119 -11.581 1.00 0.04 H new ATOM 0 HA ALA A 7 10.761 -8.663 -12.747 1.00 4.42 H new ATOM 0 HB1 ALA A 7 12.675 -9.270 -11.301 1.00 31.41 H new ATOM 0 HB2 ALA A 7 12.939 -7.716 -12.126 1.00 31.41 H new ATOM 0 HB3 ALA A 7 12.475 -7.744 -10.408 1.00 31.41 H new ATOM 129 N TRP A 8 9.426 -8.271 -9.827 1.00 44.12 N ATOM 130 CA TRP A 8 8.594 -8.904 -8.811 1.00 35.10 C ATOM 131 C TRP A 8 7.128 -8.903 -9.231 1.00 33.44 C ATOM 132 O TRP A 8 6.295 -9.568 -8.613 1.00 51.44 O ATOM 133 CB TRP A 8 8.753 -8.185 -7.471 1.00 25.15 C ATOM 134 CG TRP A 8 10.068 -8.458 -6.803 1.00 55.22 C ATOM 135 CD1 TRP A 8 11.237 -8.816 -7.411 1.00 73.33 C ATOM 136 CD2 TRP A 8 10.345 -8.396 -5.400 1.00 42.11 C ATOM 137 NE1 TRP A 8 12.225 -8.981 -6.470 1.00 75.05 N ATOM 138 CE2 TRP A 8 11.703 -8.728 -5.229 1.00 65.12 C ATOM 139 CE3 TRP A 8 9.580 -8.090 -4.272 1.00 34.33 C ATOM 140 CZ2 TRP A 8 12.309 -8.764 -3.976 1.00 13.32 C ATOM 141 CZ3 TRP A 8 10.182 -8.126 -3.028 1.00 72.45 C ATOM 142 CH2 TRP A 8 11.535 -8.460 -2.888 1.00 64.24 C ATOM 0 H TRP A 8 9.492 -7.256 -9.746 1.00 44.12 H new ATOM 0 HA TRP A 8 8.921 -9.938 -8.701 1.00 35.10 H new ATOM 0 HB2 TRP A 8 8.649 -7.111 -7.628 1.00 25.15 H new ATOM 0 HB3 TRP A 8 7.945 -8.489 -6.805 1.00 25.15 H new ATOM 0 HD1 TRP A 8 11.366 -8.950 -8.475 1.00 73.33 H new ATOM 0 HE1 TRP A 8 13.190 -9.248 -6.664 1.00 75.05 H new ATOM 0 HE3 TRP A 8 8.536 -7.830 -4.370 1.00 34.33 H new ATOM 0 HZ2 TRP A 8 13.352 -9.022 -3.866 1.00 13.32 H new ATOM 0 HZ3 TRP A 8 9.599 -7.893 -2.149 1.00 72.45 H new ATOM 0 HH2 TRP A 8 11.977 -8.478 -1.903 1.00 64.24 H new ATOM 153 N VAL A 9 6.818 -8.154 -10.284 1.00 64.00 N ATOM 154 CA VAL A 9 5.452 -8.068 -10.787 1.00 24.43 C ATOM 155 C VAL A 9 5.073 -9.325 -11.563 1.00 13.44 C ATOM 156 O VAL A 9 3.980 -9.866 -11.391 1.00 43.02 O ATOM 157 CB VAL A 9 5.265 -6.840 -11.697 1.00 3.02 C ATOM 158 CG1 VAL A 9 3.855 -6.807 -12.267 1.00 24.33 C ATOM 159 CG2 VAL A 9 5.570 -5.560 -10.933 1.00 63.21 C ATOM 0 H VAL A 9 7.495 -7.597 -10.806 1.00 64.00 H new ATOM 0 HA VAL A 9 4.800 -7.969 -9.919 1.00 24.43 H new ATOM 0 HB VAL A 9 5.965 -6.916 -12.529 1.00 3.02 H new ATOM 0 HG11 VAL A 9 3.742 -5.932 -12.907 1.00 24.33 H new ATOM 0 HG12 VAL A 9 3.678 -7.710 -12.851 1.00 24.33 H new ATOM 0 HG13 VAL A 9 3.134 -6.755 -11.451 1.00 24.33 H new ATOM 0 HG21 VAL A 9 5.433 -4.702 -11.591 1.00 63.21 H new ATOM 0 HG22 VAL A 9 4.895 -5.475 -10.081 1.00 63.21 H new ATOM 0 HG23 VAL A 9 6.601 -5.584 -10.579 1.00 63.21 H new ATOM 169 N ASP A 10 5.982 -9.784 -12.416 1.00 15.52 N ATOM 170 CA ASP A 10 5.743 -10.978 -13.218 1.00 0.12 C ATOM 171 C ASP A 10 7.018 -11.418 -13.930 1.00 24.13 C ATOM 172 O ASP A 10 7.169 -11.260 -15.141 1.00 55.34 O ATOM 173 CB ASP A 10 4.637 -10.718 -14.241 1.00 75.34 C ATOM 174 CG ASP A 10 3.278 -11.186 -13.757 1.00 3.12 C ATOM 175 OD1 ASP A 10 3.193 -12.315 -13.232 1.00 32.53 O ATOM 176 OD2 ASP A 10 2.301 -10.423 -13.903 1.00 55.44 O ATOM 0 H ASP A 10 6.891 -9.347 -12.570 1.00 15.52 H new ATOM 0 HA ASP A 10 5.427 -11.778 -12.549 1.00 0.12 H new ATOM 0 HB2 ASP A 10 4.593 -9.651 -14.461 1.00 75.34 H new ATOM 0 HB3 ASP A 10 4.882 -11.226 -15.174 1.00 75.34 H new ATOM 181 N PRO A 11 7.961 -11.983 -13.161 1.00 32.44 N ATOM 182 CA PRO A 11 9.240 -12.457 -13.696 1.00 63.42 C ATOM 183 C PRO A 11 9.079 -13.692 -14.576 1.00 74.30 C ATOM 184 O PRO A 11 9.826 -13.885 -15.535 1.00 33.13 O ATOM 185 CB PRO A 11 10.046 -12.798 -12.440 1.00 45.52 C ATOM 186 CG PRO A 11 9.021 -13.094 -11.401 1.00 23.41 C ATOM 187 CD PRO A 11 7.849 -12.204 -11.709 1.00 4.21 C ATOM 0 HA PRO A 11 9.715 -11.712 -14.335 1.00 63.42 H new ATOM 0 HB2 PRO A 11 10.698 -13.655 -12.609 1.00 45.52 H new ATOM 0 HB3 PRO A 11 10.684 -11.966 -12.141 1.00 45.52 H new ATOM 0 HG2 PRO A 11 8.731 -14.144 -11.427 1.00 23.41 H new ATOM 0 HG3 PRO A 11 9.410 -12.896 -10.402 1.00 23.41 H new ATOM 0 HD2 PRO A 11 6.904 -12.679 -11.447 1.00 4.21 H new ATOM 0 HD3 PRO A 11 7.899 -11.267 -11.155 1.00 4.21 H new ATOM 195 N ALA A 12 8.098 -14.526 -14.244 1.00 1.32 N ATOM 196 CA ALA A 12 7.837 -15.741 -15.006 1.00 2.35 C ATOM 197 C ALA A 12 7.427 -15.414 -16.437 1.00 50.53 C ATOM 198 O ALA A 12 7.897 -16.041 -17.387 1.00 32.02 O ATOM 199 CB ALA A 12 6.760 -16.571 -14.323 1.00 4.25 C ATOM 0 H ALA A 12 7.471 -14.382 -13.452 1.00 1.32 H new ATOM 0 HA ALA A 12 8.759 -16.322 -15.044 1.00 2.35 H new ATOM 0 HB1 ALA A 12 6.575 -17.475 -14.903 1.00 4.25 H new ATOM 0 HB2 ALA A 12 7.092 -16.844 -13.321 1.00 4.25 H new ATOM 0 HB3 ALA A 12 5.841 -15.989 -14.255 1.00 4.25 H new ATOM 205 N TYR A 13 6.548 -14.429 -16.585 1.00 41.44 N ATOM 206 CA TYR A 13 6.072 -14.020 -17.902 1.00 21.42 C ATOM 207 C TYR A 13 7.241 -13.751 -18.844 1.00 42.42 C ATOM 208 O TYR A 13 7.416 -14.442 -19.847 1.00 55.32 O ATOM 209 CB TYR A 13 5.197 -12.771 -17.786 1.00 61.21 C ATOM 210 CG TYR A 13 4.115 -12.690 -18.839 1.00 33.52 C ATOM 211 CD1 TYR A 13 4.413 -12.864 -20.185 1.00 35.44 C ATOM 212 CD2 TYR A 13 2.794 -12.441 -18.487 1.00 73.21 C ATOM 213 CE1 TYR A 13 3.427 -12.791 -21.150 1.00 11.44 C ATOM 214 CE2 TYR A 13 1.801 -12.367 -19.445 1.00 62.23 C ATOM 215 CZ TYR A 13 2.123 -12.542 -20.775 1.00 71.11 C ATOM 216 OH TYR A 13 1.138 -12.469 -21.733 1.00 71.33 O ATOM 0 H TYR A 13 6.150 -13.899 -15.810 1.00 41.44 H new ATOM 0 HA TYR A 13 5.477 -14.835 -18.315 1.00 21.42 H new ATOM 0 HB2 TYR A 13 4.734 -12.752 -16.799 1.00 61.21 H new ATOM 0 HB3 TYR A 13 5.830 -11.886 -17.858 1.00 61.21 H new ATOM 0 HD1 TYR A 13 5.433 -13.060 -20.482 1.00 35.44 H new ATOM 0 HD2 TYR A 13 2.539 -12.303 -17.447 1.00 73.21 H new ATOM 0 HE1 TYR A 13 3.676 -12.928 -22.192 1.00 11.44 H new ATOM 0 HE2 TYR A 13 0.779 -12.173 -19.154 1.00 62.23 H new ATOM 0 HH TYR A 13 0.276 -12.289 -21.303 1.00 71.33 H new ATOM 226 N GLU A 14 8.039 -12.741 -18.512 1.00 43.55 N ATOM 227 CA GLU A 14 9.192 -12.379 -19.329 1.00 10.30 C ATOM 228 C GLU A 14 10.164 -13.549 -19.447 1.00 22.12 C ATOM 229 O GLU A 14 10.833 -13.715 -20.467 1.00 52.12 O ATOM 230 CB GLU A 14 9.907 -11.165 -18.732 1.00 25.34 C ATOM 231 CG GLU A 14 11.231 -10.846 -19.406 1.00 61.20 C ATOM 232 CD GLU A 14 11.500 -9.356 -19.487 1.00 61.14 C ATOM 233 OE1 GLU A 14 11.552 -8.703 -18.424 1.00 73.04 O ATOM 234 OE2 GLU A 14 11.659 -8.843 -20.615 1.00 62.41 O ATOM 0 H GLU A 14 7.909 -12.159 -17.684 1.00 43.55 H new ATOM 0 HA GLU A 14 8.833 -12.126 -20.327 1.00 10.30 H new ATOM 0 HB2 GLU A 14 9.253 -10.296 -18.806 1.00 25.34 H new ATOM 0 HB3 GLU A 14 10.083 -11.343 -17.671 1.00 25.34 H new ATOM 0 HG2 GLU A 14 12.040 -11.328 -18.857 1.00 61.20 H new ATOM 0 HG3 GLU A 14 11.233 -11.267 -20.411 1.00 61.20 H new ATOM 241 N PHE A 15 10.237 -14.358 -18.395 1.00 4.21 N ATOM 242 CA PHE A 15 11.128 -15.512 -18.379 1.00 25.14 C ATOM 243 C PHE A 15 10.722 -16.528 -19.442 1.00 31.11 C ATOM 244 O PHE A 15 11.571 -17.191 -20.039 1.00 11.20 O ATOM 245 CB PHE A 15 11.119 -16.171 -16.998 1.00 1.14 C ATOM 246 CG PHE A 15 12.101 -17.300 -16.865 1.00 53.04 C ATOM 247 CD1 PHE A 15 11.750 -18.588 -17.237 1.00 52.31 C ATOM 248 CD2 PHE A 15 13.374 -17.074 -16.369 1.00 3.43 C ATOM 249 CE1 PHE A 15 12.651 -19.629 -17.117 1.00 72.01 C ATOM 250 CE2 PHE A 15 14.280 -18.111 -16.247 1.00 14.31 C ATOM 251 CZ PHE A 15 13.917 -19.390 -16.620 1.00 61.23 C ATOM 0 H PHE A 15 9.690 -14.236 -17.543 1.00 4.21 H new ATOM 0 HA PHE A 15 12.137 -15.163 -18.601 1.00 25.14 H new ATOM 0 HB2 PHE A 15 11.341 -15.417 -16.243 1.00 1.14 H new ATOM 0 HB3 PHE A 15 10.117 -16.546 -16.790 1.00 1.14 H new ATOM 0 HD1 PHE A 15 10.761 -18.780 -17.625 1.00 52.31 H new ATOM 0 HD2 PHE A 15 13.662 -16.076 -16.074 1.00 3.43 H new ATOM 0 HE1 PHE A 15 12.365 -20.628 -17.412 1.00 72.01 H new ATOM 0 HE2 PHE A 15 15.270 -17.921 -15.860 1.00 14.31 H new ATOM 0 HZ PHE A 15 14.622 -20.202 -16.523 1.00 61.23 H new ATOM 261 N ILE A 16 9.419 -16.645 -19.672 1.00 54.13 N ATOM 262 CA ILE A 16 8.899 -17.579 -20.663 1.00 62.23 C ATOM 263 C ILE A 16 9.183 -17.092 -22.080 1.00 44.10 C ATOM 264 O ILE A 16 9.508 -17.882 -22.967 1.00 54.21 O ATOM 265 CB ILE A 16 7.382 -17.788 -20.499 1.00 62.50 C ATOM 266 CG1 ILE A 16 7.067 -18.315 -19.097 1.00 52.14 C ATOM 267 CG2 ILE A 16 6.862 -18.746 -21.560 1.00 72.51 C ATOM 268 CD1 ILE A 16 5.812 -17.720 -18.497 1.00 24.23 C ATOM 0 H ILE A 16 8.704 -16.105 -19.186 1.00 54.13 H new ATOM 0 HA ILE A 16 9.408 -18.529 -20.498 1.00 62.23 H new ATOM 0 HB ILE A 16 6.881 -16.828 -20.627 1.00 62.50 H new ATOM 0 HG12 ILE A 16 6.961 -19.399 -19.140 1.00 52.14 H new ATOM 0 HG13 ILE A 16 7.910 -18.103 -18.440 1.00 52.14 H new ATOM 0 HG21 ILE A 16 5.788 -18.884 -21.431 1.00 72.51 H new ATOM 0 HG22 ILE A 16 7.059 -18.334 -22.550 1.00 72.51 H new ATOM 0 HG23 ILE A 16 7.366 -19.707 -21.460 1.00 72.51 H new ATOM 0 HD11 ILE A 16 5.650 -18.138 -17.504 1.00 24.23 H new ATOM 0 HD12 ILE A 16 5.922 -16.638 -18.422 1.00 24.23 H new ATOM 0 HD13 ILE A 16 4.958 -17.954 -19.133 1.00 24.23 H new ATOM 280 N LYS A 17 9.061 -15.785 -22.286 1.00 2.01 N ATOM 281 CA LYS A 17 9.308 -15.190 -23.594 1.00 13.31 C ATOM 282 C LYS A 17 10.804 -15.098 -23.877 1.00 13.12 C ATOM 283 O LYS A 17 11.235 -15.191 -25.025 1.00 50.22 O ATOM 284 CB LYS A 17 8.677 -13.797 -23.670 1.00 61.34 C ATOM 285 CG LYS A 17 7.325 -13.703 -22.985 1.00 21.53 C ATOM 286 CD LYS A 17 6.470 -12.602 -23.587 1.00 55.33 C ATOM 287 CE LYS A 17 6.730 -11.263 -22.915 1.00 2.34 C ATOM 288 NZ LYS A 17 5.864 -10.186 -23.469 1.00 10.42 N ATOM 0 H LYS A 17 8.792 -15.117 -21.563 1.00 2.01 H new ATOM 0 HA LYS A 17 8.853 -15.831 -24.349 1.00 13.31 H new ATOM 0 HB2 LYS A 17 9.356 -13.075 -23.216 1.00 61.34 H new ATOM 0 HB3 LYS A 17 8.565 -13.515 -24.717 1.00 61.34 H new ATOM 0 HG2 LYS A 17 6.805 -14.657 -23.072 1.00 21.53 H new ATOM 0 HG3 LYS A 17 7.468 -13.513 -21.921 1.00 21.53 H new ATOM 0 HD2 LYS A 17 6.678 -12.521 -24.654 1.00 55.33 H new ATOM 0 HD3 LYS A 17 5.416 -12.862 -23.486 1.00 55.33 H new ATOM 0 HE2 LYS A 17 6.554 -11.355 -21.843 1.00 2.34 H new ATOM 0 HE3 LYS A 17 7.777 -10.989 -23.044 1.00 2.34 H new ATOM 0 HZ1 LYS A 17 6.359 -9.274 -23.403 1.00 10.42 H new ATOM 0 HZ2 LYS A 17 5.649 -10.392 -24.466 1.00 10.42 H new ATOM 0 HZ3 LYS A 17 4.978 -10.139 -22.926 1.00 10.42 H new ATOM 302 N GLY A 18 11.591 -14.916 -22.821 1.00 23.41 N ATOM 303 CA GLY A 18 13.031 -14.817 -22.977 1.00 54.24 C ATOM 304 C GLY A 18 13.482 -13.406 -23.300 1.00 64.45 C ATOM 305 O GLY A 18 14.118 -12.746 -22.478 1.00 33.51 O ATOM 0 H GLY A 18 11.257 -14.835 -21.860 1.00 23.41 H new ATOM 0 HA2 GLY A 18 13.517 -15.150 -22.060 1.00 54.24 H new ATOM 0 HA3 GLY A 18 13.355 -15.490 -23.771 1.00 54.24 H new ATOM 309 N PHE A 19 13.156 -12.943 -24.502 1.00 50.14 N ATOM 310 CA PHE A 19 13.535 -11.602 -24.934 1.00 32.44 C ATOM 311 C PHE A 19 13.037 -11.326 -26.349 1.00 43.43 C ATOM 312 O PHE A 19 12.602 -12.235 -27.055 1.00 44.51 O ATOM 313 CB PHE A 19 15.054 -11.435 -24.873 1.00 5.40 C ATOM 314 CG PHE A 19 15.808 -12.562 -25.519 1.00 43.42 C ATOM 315 CD1 PHE A 19 15.932 -12.629 -26.898 1.00 33.44 C ATOM 316 CD2 PHE A 19 16.394 -13.553 -24.748 1.00 52.23 C ATOM 317 CE1 PHE A 19 16.624 -13.666 -27.495 1.00 1.13 C ATOM 318 CE2 PHE A 19 17.088 -14.592 -25.340 1.00 11.42 C ATOM 319 CZ PHE A 19 17.204 -14.647 -26.715 1.00 30.42 C ATOM 0 H PHE A 19 12.630 -13.476 -25.195 1.00 50.14 H new ATOM 0 HA PHE A 19 13.070 -10.884 -24.258 1.00 32.44 H new ATOM 0 HB2 PHE A 19 15.328 -10.499 -25.360 1.00 5.40 H new ATOM 0 HB3 PHE A 19 15.361 -11.354 -23.830 1.00 5.40 H new ATOM 0 HD1 PHE A 19 15.483 -11.863 -27.513 1.00 33.44 H new ATOM 0 HD2 PHE A 19 16.308 -13.513 -23.672 1.00 52.23 H new ATOM 0 HE1 PHE A 19 16.711 -13.709 -28.571 1.00 1.13 H new ATOM 0 HE2 PHE A 19 17.539 -15.359 -24.728 1.00 11.42 H new ATOM 0 HZ PHE A 19 17.748 -15.456 -27.180 1.00 30.42 H new ATOM 329 N GLY A 20 13.105 -10.062 -26.757 1.00 54.15 N ATOM 330 CA GLY A 20 12.657 -9.687 -28.086 1.00 45.31 C ATOM 331 C GLY A 20 11.560 -8.642 -28.055 1.00 13.11 C ATOM 332 O GLY A 20 10.751 -8.551 -28.979 1.00 63.51 O ATOM 0 H GLY A 20 13.462 -9.292 -26.192 1.00 54.15 H new ATOM 0 HA2 GLY A 20 13.503 -9.304 -28.657 1.00 45.31 H new ATOM 0 HA3 GLY A 20 12.296 -10.573 -28.608 1.00 45.31 H new ATOM 336 N LYS A 21 11.528 -7.851 -26.988 1.00 4.41 N ATOM 337 CA LYS A 21 10.522 -6.807 -26.838 1.00 54.43 C ATOM 338 C LYS A 21 10.936 -5.801 -25.769 1.00 52.41 C ATOM 339 O LYS A 21 10.717 -4.599 -25.916 1.00 1.13 O ATOM 340 CB LYS A 21 9.168 -7.423 -26.477 1.00 2.30 C ATOM 341 CG LYS A 21 9.260 -8.522 -25.432 1.00 55.44 C ATOM 342 CD LYS A 21 9.514 -9.877 -26.070 1.00 32.21 C ATOM 343 CE LYS A 21 8.551 -10.930 -25.543 1.00 73.25 C ATOM 344 NZ LYS A 21 8.189 -11.925 -26.591 1.00 43.33 N ATOM 0 H LYS A 21 12.189 -7.914 -26.213 1.00 4.41 H new ATOM 0 HA LYS A 21 10.434 -6.283 -27.790 1.00 54.43 H new ATOM 0 HB2 LYS A 21 8.507 -6.638 -26.109 1.00 2.30 H new ATOM 0 HB3 LYS A 21 8.710 -7.828 -27.379 1.00 2.30 H new ATOM 0 HG2 LYS A 21 10.062 -8.293 -24.731 1.00 55.44 H new ATOM 0 HG3 LYS A 21 8.335 -8.557 -24.857 1.00 55.44 H new ATOM 0 HD2 LYS A 21 9.410 -9.796 -27.152 1.00 32.21 H new ATOM 0 HD3 LYS A 21 10.540 -10.188 -25.871 1.00 32.21 H new ATOM 0 HE2 LYS A 21 9.004 -11.444 -24.695 1.00 73.25 H new ATOM 0 HE3 LYS A 21 7.647 -10.444 -25.176 1.00 73.25 H new ATOM 0 HZ1 LYS A 21 7.205 -12.232 -26.453 1.00 43.33 H new ATOM 0 HZ2 LYS A 21 8.287 -11.491 -27.531 1.00 43.33 H new ATOM 0 HZ3 LYS A 21 8.822 -12.748 -26.522 1.00 43.33 H new ATOM 358 N GLY A 22 11.537 -6.300 -24.693 1.00 73.44 N ATOM 359 CA GLY A 22 11.973 -5.431 -23.616 1.00 60.23 C ATOM 360 C GLY A 22 13.308 -5.853 -23.036 1.00 21.15 C ATOM 361 O GLY A 22 14.139 -5.011 -22.696 1.00 72.02 O ATOM 0 H GLY A 22 11.730 -7.291 -24.548 1.00 73.44 H new ATOM 0 HA2 GLY A 22 12.048 -4.408 -23.986 1.00 60.23 H new ATOM 0 HA3 GLY A 22 11.221 -5.430 -22.827 1.00 60.23 H new ATOM 365 N ALA A 23 13.514 -7.161 -22.919 1.00 43.22 N ATOM 366 CA ALA A 23 14.758 -7.693 -22.376 1.00 12.34 C ATOM 367 C ALA A 23 15.937 -7.374 -23.289 1.00 33.40 C ATOM 368 O ALA A 23 16.959 -6.855 -22.840 1.00 61.20 O ATOM 369 CB ALA A 23 14.642 -9.195 -22.165 1.00 33.03 C ATOM 0 H ALA A 23 12.835 -7.872 -23.193 1.00 43.22 H new ATOM 0 HA ALA A 23 14.939 -7.215 -21.413 1.00 12.34 H new ATOM 0 HB1 ALA A 23 15.578 -9.579 -21.759 1.00 33.03 H new ATOM 0 HB2 ALA A 23 13.831 -9.403 -21.466 1.00 33.03 H new ATOM 0 HB3 ALA A 23 14.433 -9.681 -23.118 1.00 33.03 H new ATOM 375 N ILE A 24 15.788 -7.689 -24.571 1.00 74.41 N ATOM 376 CA ILE A 24 16.840 -7.436 -25.547 1.00 25.11 C ATOM 377 C ILE A 24 16.828 -5.981 -26.004 1.00 24.35 C ATOM 378 O ILE A 24 17.870 -5.413 -26.332 1.00 61.11 O ATOM 379 CB ILE A 24 16.699 -8.350 -26.778 1.00 75.23 C ATOM 380 CG1 ILE A 24 17.960 -8.280 -27.641 1.00 25.34 C ATOM 381 CG2 ILE A 24 15.473 -7.958 -27.590 1.00 62.23 C ATOM 382 CD1 ILE A 24 18.724 -9.585 -27.700 1.00 45.53 C ATOM 0 H ILE A 24 14.948 -8.120 -24.958 1.00 74.41 H new ATOM 0 HA ILE A 24 17.787 -7.651 -25.052 1.00 25.11 H new ATOM 0 HB ILE A 24 16.573 -9.377 -26.436 1.00 75.23 H new ATOM 0 HG12 ILE A 24 17.682 -7.985 -28.653 1.00 25.34 H new ATOM 0 HG13 ILE A 24 18.615 -7.502 -27.250 1.00 25.34 H new ATOM 0 HG21 ILE A 24 15.386 -8.613 -28.457 1.00 62.23 H new ATOM 0 HG22 ILE A 24 14.581 -8.055 -26.971 1.00 62.23 H new ATOM 0 HG23 ILE A 24 15.573 -6.925 -27.924 1.00 62.23 H new ATOM 0 HD11 ILE A 24 19.606 -9.462 -28.329 1.00 45.53 H new ATOM 0 HD12 ILE A 24 19.032 -9.872 -26.695 1.00 45.53 H new ATOM 0 HD13 ILE A 24 18.085 -10.362 -28.119 1.00 45.53 H new ATOM 394 N LYS A 25 15.643 -5.382 -26.020 1.00 74.03 N ATOM 395 CA LYS A 25 15.493 -3.992 -26.433 1.00 42.32 C ATOM 396 C LYS A 25 16.223 -3.058 -25.473 1.00 53.52 C ATOM 397 O LYS A 25 16.983 -2.188 -25.897 1.00 51.15 O ATOM 398 CB LYS A 25 14.012 -3.615 -26.501 1.00 55.22 C ATOM 399 CG LYS A 25 13.768 -2.118 -26.593 1.00 22.35 C ATOM 400 CD LYS A 25 12.755 -1.783 -27.674 1.00 71.11 C ATOM 401 CE LYS A 25 13.274 -2.148 -29.057 1.00 1.15 C ATOM 402 NZ LYS A 25 13.675 -0.943 -29.834 1.00 44.10 N ATOM 0 H LYS A 25 14.771 -5.838 -25.751 1.00 74.03 H new ATOM 0 HA LYS A 25 15.934 -3.884 -27.424 1.00 42.32 H new ATOM 0 HB2 LYS A 25 13.561 -4.102 -27.366 1.00 55.22 H new ATOM 0 HB3 LYS A 25 13.506 -4.003 -25.617 1.00 55.22 H new ATOM 0 HG2 LYS A 25 13.412 -1.747 -25.632 1.00 22.35 H new ATOM 0 HG3 LYS A 25 14.708 -1.608 -26.803 1.00 22.35 H new ATOM 0 HD2 LYS A 25 11.825 -2.317 -27.481 1.00 71.11 H new ATOM 0 HD3 LYS A 25 12.524 -0.718 -27.640 1.00 71.11 H new ATOM 0 HE2 LYS A 25 14.128 -2.818 -28.959 1.00 1.15 H new ATOM 0 HE3 LYS A 25 12.503 -2.692 -29.603 1.00 1.15 H new ATOM 0 HZ1 LYS A 25 14.023 -1.233 -30.770 1.00 44.10 H new ATOM 0 HZ2 LYS A 25 12.854 -0.315 -29.949 1.00 44.10 H new ATOM 0 HZ3 LYS A 25 14.429 -0.437 -29.326 1.00 44.10 H new ATOM 416 N GLU A 26 15.987 -3.245 -24.178 1.00 52.24 N ATOM 417 CA GLU A 26 16.623 -2.418 -23.159 1.00 71.33 C ATOM 418 C GLU A 26 18.078 -2.829 -22.956 1.00 65.12 C ATOM 419 O GLU A 26 18.815 -2.194 -22.202 1.00 74.41 O ATOM 420 CB GLU A 26 15.862 -2.525 -21.836 1.00 60.31 C ATOM 421 CG GLU A 26 16.181 -3.787 -21.051 1.00 13.50 C ATOM 422 CD GLU A 26 17.299 -3.582 -20.047 1.00 53.02 C ATOM 423 OE1 GLU A 26 17.204 -2.634 -19.240 1.00 11.14 O ATOM 424 OE2 GLU A 26 18.268 -4.369 -20.069 1.00 51.11 O ATOM 0 H GLU A 26 15.361 -3.961 -23.810 1.00 52.24 H new ATOM 0 HA GLU A 26 16.600 -1.383 -23.500 1.00 71.33 H new ATOM 0 HB2 GLU A 26 16.095 -1.656 -21.221 1.00 60.31 H new ATOM 0 HB3 GLU A 26 14.791 -2.494 -22.039 1.00 60.31 H new ATOM 0 HG2 GLU A 26 15.285 -4.122 -20.528 1.00 13.50 H new ATOM 0 HG3 GLU A 26 16.461 -4.581 -21.744 1.00 13.50 H new ATOM 431 N GLY A 27 18.486 -3.897 -23.635 1.00 63.23 N ATOM 432 CA GLY A 27 19.851 -4.376 -23.516 1.00 2.52 C ATOM 433 C GLY A 27 20.745 -3.863 -24.628 1.00 13.33 C ATOM 434 O GLY A 27 21.850 -3.385 -24.374 1.00 53.14 O ATOM 0 H GLY A 27 17.895 -4.439 -24.266 1.00 63.23 H new ATOM 0 HA2 GLY A 27 20.259 -4.066 -22.554 1.00 2.52 H new ATOM 0 HA3 GLY A 27 19.852 -5.466 -23.527 1.00 2.52 H new ATOM 438 N ASN A 28 20.266 -3.963 -25.863 1.00 70.45 N ATOM 439 CA ASN A 28 21.031 -3.508 -27.019 1.00 14.22 C ATOM 440 C ASN A 28 21.066 -1.984 -27.081 1.00 40.20 C ATOM 441 O ASN A 28 22.054 -1.392 -27.517 1.00 13.34 O ATOM 442 CB ASN A 28 20.428 -4.068 -28.309 1.00 31.24 C ATOM 443 CG ASN A 28 19.289 -3.215 -28.833 1.00 21.00 C ATOM 444 OD1 ASN A 28 19.419 -2.551 -29.861 1.00 51.42 O ATOM 445 ND2 ASN A 28 18.165 -3.230 -28.126 1.00 50.31 N ATOM 0 H ASN A 28 19.352 -4.355 -26.090 1.00 70.45 H new ATOM 0 HA ASN A 28 22.052 -3.874 -26.915 1.00 14.22 H new ATOM 0 HB2 ASN A 28 21.206 -4.138 -29.070 1.00 31.24 H new ATOM 0 HB3 ASN A 28 20.067 -5.080 -28.128 1.00 31.24 H new ATOM 0 HD21 ASN A 28 17.364 -2.676 -28.429 1.00 50.31 H new ATOM 0 HD22 ASN A 28 18.102 -3.796 -27.280 1.00 50.31 H new ATOM 452 N LYS A 29 19.982 -1.354 -26.642 1.00 13.12 N ATOM 453 CA LYS A 29 19.887 0.101 -26.645 1.00 5.10 C ATOM 454 C LYS A 29 20.689 0.701 -25.494 1.00 64.33 C ATOM 455 O LYS A 29 21.101 1.860 -25.550 1.00 21.32 O ATOM 456 CB LYS A 29 18.424 0.538 -26.543 1.00 44.22 C ATOM 457 CG LYS A 29 17.856 0.438 -25.138 1.00 40.22 C ATOM 458 CD LYS A 29 16.346 0.604 -25.135 1.00 34.14 C ATOM 459 CE LYS A 29 15.882 1.466 -23.971 1.00 3.53 C ATOM 460 NZ LYS A 29 14.397 1.559 -23.906 1.00 5.42 N ATOM 0 H LYS A 29 19.156 -1.829 -26.279 1.00 13.12 H new ATOM 0 HA LYS A 29 20.304 0.465 -27.584 1.00 5.10 H new ATOM 0 HB2 LYS A 29 18.336 1.568 -26.889 1.00 44.22 H new ATOM 0 HB3 LYS A 29 17.823 -0.076 -27.214 1.00 44.22 H new ATOM 0 HG2 LYS A 29 18.118 -0.528 -24.706 1.00 40.22 H new ATOM 0 HG3 LYS A 29 18.308 1.202 -24.506 1.00 40.22 H new ATOM 0 HD2 LYS A 29 16.027 1.056 -26.074 1.00 34.14 H new ATOM 0 HD3 LYS A 29 15.871 -0.375 -25.076 1.00 34.14 H new ATOM 0 HE2 LYS A 29 16.261 1.050 -23.038 1.00 3.53 H new ATOM 0 HE3 LYS A 29 16.304 2.466 -24.069 1.00 3.53 H new ATOM 0 HZ1 LYS A 29 14.121 2.155 -23.099 1.00 5.42 H new ATOM 0 HZ2 LYS A 29 14.037 1.980 -24.786 1.00 5.42 H new ATOM 0 HZ3 LYS A 29 13.994 0.607 -23.787 1.00 5.42 H new ATOM 474 N ASP A 30 20.909 -0.096 -24.454 1.00 14.20 N ATOM 475 CA ASP A 30 21.664 0.356 -23.291 1.00 71.20 C ATOM 476 C ASP A 30 23.159 0.127 -23.492 1.00 13.24 C ATOM 477 O ASP A 30 23.957 0.330 -22.577 1.00 3.51 O ATOM 478 CB ASP A 30 21.188 -0.373 -22.033 1.00 41.41 C ATOM 479 CG ASP A 30 19.941 0.252 -21.440 1.00 34.45 C ATOM 480 OD1 ASP A 30 18.985 0.509 -22.202 1.00 20.42 O ATOM 481 OD2 ASP A 30 19.919 0.482 -20.213 1.00 3.44 O ATOM 0 H ASP A 30 20.575 -1.058 -24.393 1.00 14.20 H new ATOM 0 HA ASP A 30 21.492 1.425 -23.169 1.00 71.20 H new ATOM 0 HB2 ASP A 30 20.988 -1.417 -22.275 1.00 41.41 H new ATOM 0 HB3 ASP A 30 21.984 -0.365 -21.289 1.00 41.41 H new ATOM 486 N LYS A 31 23.531 -0.298 -24.694 1.00 71.02 N ATOM 487 CA LYS A 31 24.929 -0.555 -25.016 1.00 45.25 C ATOM 488 C LYS A 31 25.722 0.747 -25.076 1.00 1.13 C ATOM 489 O LYS A 31 26.931 0.760 -24.842 1.00 74.11 O ATOM 490 CB LYS A 31 25.039 -1.292 -26.353 1.00 22.30 C ATOM 491 CG LYS A 31 24.528 -2.722 -26.303 1.00 12.43 C ATOM 492 CD LYS A 31 25.336 -3.569 -25.335 1.00 31.34 C ATOM 493 CE LYS A 31 25.309 -5.039 -25.725 1.00 24.13 C ATOM 494 NZ LYS A 31 24.820 -5.900 -24.612 1.00 54.53 N ATOM 0 H LYS A 31 22.883 -0.472 -25.462 1.00 71.02 H new ATOM 0 HA LYS A 31 25.348 -1.180 -24.227 1.00 45.25 H new ATOM 0 HB2 LYS A 31 24.479 -0.741 -27.109 1.00 22.30 H new ATOM 0 HB3 LYS A 31 26.082 -1.299 -26.670 1.00 22.30 H new ATOM 0 HG2 LYS A 31 23.480 -2.725 -26.003 1.00 12.43 H new ATOM 0 HG3 LYS A 31 24.575 -3.161 -27.299 1.00 12.43 H new ATOM 0 HD2 LYS A 31 26.367 -3.216 -25.314 1.00 31.34 H new ATOM 0 HD3 LYS A 31 24.938 -3.451 -24.327 1.00 31.34 H new ATOM 0 HE2 LYS A 31 24.667 -5.172 -26.596 1.00 24.13 H new ATOM 0 HE3 LYS A 31 26.310 -5.356 -26.016 1.00 24.13 H new ATOM 0 HZ1 LYS A 31 24.817 -6.894 -24.918 1.00 54.53 H new ATOM 0 HZ2 LYS A 31 25.447 -5.793 -23.789 1.00 54.53 H new ATOM 0 HZ3 LYS A 31 23.855 -5.615 -24.351 1.00 54.53 H new ATOM 508 N TRP A 32 25.034 1.839 -25.388 1.00 0.31 N ATOM 509 CA TRP A 32 25.675 3.147 -25.476 1.00 35.31 C ATOM 510 C TRP A 32 26.457 3.457 -24.204 1.00 75.53 C ATOM 511 O TRP A 32 27.452 4.181 -24.236 1.00 75.01 O ATOM 512 CB TRP A 32 24.628 4.234 -25.724 1.00 1.43 C ATOM 513 CG TRP A 32 23.782 4.529 -24.522 1.00 74.14 C ATOM 514 CD1 TRP A 32 23.055 3.632 -23.792 1.00 40.40 C ATOM 515 CD2 TRP A 32 23.573 5.808 -23.914 1.00 11.01 C ATOM 516 NE1 TRP A 32 22.407 4.277 -22.766 1.00 41.20 N ATOM 517 CE2 TRP A 32 22.709 5.612 -22.818 1.00 42.25 C ATOM 518 CE3 TRP A 32 24.033 7.099 -24.186 1.00 40.13 C ATOM 519 CZ2 TRP A 32 22.297 6.660 -21.999 1.00 63.12 C ATOM 520 CZ3 TRP A 32 23.623 8.138 -23.372 1.00 61.24 C ATOM 521 CH2 TRP A 32 22.763 7.914 -22.289 1.00 61.41 C ATOM 0 H TRP A 32 24.033 1.846 -25.584 1.00 0.31 H new ATOM 0 HA TRP A 32 26.373 3.127 -26.313 1.00 35.31 H new ATOM 0 HB2 TRP A 32 25.131 5.148 -26.038 1.00 1.43 H new ATOM 0 HB3 TRP A 32 23.983 3.926 -26.547 1.00 1.43 H new ATOM 0 HD1 TRP A 32 22.998 2.572 -23.992 1.00 40.40 H new ATOM 0 HE1 TRP A 32 21.799 3.833 -22.077 1.00 41.20 H new ATOM 0 HE3 TRP A 32 24.697 7.282 -25.018 1.00 40.13 H new ATOM 0 HZ2 TRP A 32 21.633 6.489 -21.164 1.00 63.12 H new ATOM 0 HZ3 TRP A 32 23.972 9.140 -23.574 1.00 61.24 H new ATOM 0 HH2 TRP A 32 22.462 8.747 -21.671 1.00 61.41 H new ATOM 532 N LYS A 33 26.001 2.904 -23.085 1.00 61.42 N ATOM 533 CA LYS A 33 26.659 3.119 -21.802 1.00 12.31 C ATOM 534 C LYS A 33 28.119 2.680 -21.858 1.00 54.51 C ATOM 535 O LYS A 33 28.953 3.169 -21.098 1.00 11.43 O ATOM 536 CB LYS A 33 25.928 2.355 -20.696 1.00 14.00 C ATOM 537 CG LYS A 33 25.370 3.251 -19.604 1.00 14.20 C ATOM 538 CD LYS A 33 26.162 3.119 -18.314 1.00 64.25 C ATOM 539 CE LYS A 33 25.261 3.219 -17.093 1.00 62.13 C ATOM 540 NZ LYS A 33 25.664 2.261 -16.027 1.00 1.14 N ATOM 0 H LYS A 33 25.178 2.303 -23.041 1.00 61.42 H new ATOM 0 HA LYS A 33 26.627 4.186 -21.581 1.00 12.31 H new ATOM 0 HB2 LYS A 33 25.112 1.785 -21.139 1.00 14.00 H new ATOM 0 HB3 LYS A 33 26.614 1.635 -20.249 1.00 14.00 H new ATOM 0 HG2 LYS A 33 25.388 4.288 -19.939 1.00 14.20 H new ATOM 0 HG3 LYS A 33 24.327 2.994 -19.419 1.00 14.20 H new ATOM 0 HD2 LYS A 33 26.685 2.163 -18.304 1.00 64.25 H new ATOM 0 HD3 LYS A 33 26.922 3.899 -18.271 1.00 64.25 H new ATOM 0 HE2 LYS A 33 25.294 4.235 -16.700 1.00 62.13 H new ATOM 0 HE3 LYS A 33 24.229 3.024 -17.386 1.00 62.13 H new ATOM 0 HZ1 LYS A 33 25.026 2.360 -15.212 1.00 1.14 H new ATOM 0 HZ2 LYS A 33 25.608 1.290 -16.394 1.00 1.14 H new ATOM 0 HZ3 LYS A 33 26.640 2.463 -15.729 1.00 1.14 H new ATOM 554 N ASN A 34 28.420 1.756 -22.765 1.00 15.42 N ATOM 555 CA ASN A 34 29.779 1.253 -22.920 1.00 63.35 C ATOM 556 C ASN A 34 30.317 0.720 -21.596 1.00 31.41 C ATOM 557 O ASN A 34 31.527 0.703 -21.367 1.00 53.41 O ATOM 558 CB ASN A 34 30.697 2.357 -23.449 1.00 1.02 C ATOM 559 CG ASN A 34 32.053 1.828 -23.874 1.00 70.44 C ATOM 560 OD1 ASN A 34 33.041 1.971 -23.155 1.00 24.45 O ATOM 561 ND2 ASN A 34 32.105 1.212 -25.050 1.00 3.20 N ATOM 0 H ASN A 34 27.741 1.341 -23.403 1.00 15.42 H new ATOM 0 HA ASN A 34 29.756 0.434 -23.638 1.00 63.35 H new ATOM 0 HB2 ASN A 34 30.219 2.847 -24.297 1.00 1.02 H new ATOM 0 HB3 ASN A 34 30.831 3.115 -22.677 1.00 1.02 H new ATOM 0 HD21 ASN A 34 32.990 0.835 -25.389 1.00 3.20 H new ATOM 0 HD22 ASN A 34 31.260 1.116 -25.613 1.00 3.20 H new ATOM 568 N ILE A 35 29.410 0.284 -20.728 1.00 10.10 N ATOM 569 CA ILE A 35 29.793 -0.251 -19.428 1.00 22.15 C ATOM 570 C ILE A 35 30.533 -1.576 -19.575 1.00 32.52 C ATOM 571 O ILE A 35 31.761 -1.609 -19.651 1.00 61.11 O ATOM 572 CB ILE A 35 28.566 -0.459 -18.521 1.00 31.15 C ATOM 573 CG1 ILE A 35 29.002 -0.968 -17.145 1.00 15.11 C ATOM 574 CG2 ILE A 35 27.589 -1.431 -19.166 1.00 1.33 C ATOM 575 CD1 ILE A 35 28.611 -0.048 -16.009 1.00 64.21 C ATOM 0 H ILE A 35 28.405 0.291 -20.902 1.00 10.10 H new ATOM 0 HA ILE A 35 30.455 0.483 -18.968 1.00 22.15 H new ATOM 0 HB ILE A 35 28.063 0.499 -18.391 1.00 31.15 H new ATOM 0 HG12 ILE A 35 28.562 -1.951 -16.974 1.00 15.11 H new ATOM 0 HG13 ILE A 35 30.084 -1.098 -17.141 1.00 15.11 H new ATOM 0 HG21 ILE A 35 26.727 -1.568 -18.513 1.00 1.33 H new ATOM 0 HG22 ILE A 35 27.258 -1.032 -20.125 1.00 1.33 H new ATOM 0 HG23 ILE A 35 28.081 -2.391 -19.323 1.00 1.33 H new ATOM 0 HD11 ILE A 35 28.952 -0.471 -15.064 1.00 64.21 H new ATOM 0 HD12 ILE A 35 29.072 0.929 -16.156 1.00 64.21 H new ATOM 0 HD13 ILE A 35 27.527 0.063 -15.987 1.00 64.21 H new TER 587 ILE A 35