USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 581 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 GLY N :NH3+ -134:sc= 0.0731 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.00175 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 48:sc= 0.482 USER MOD Single : A 37 THR OG1 : rot -23:sc= 0.238 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.27) USER MOD Single : A 60 THR OG1 : rot -37:sc= 0.532 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.290 -20.471 5.945 1.00 52.10 N ATOM 2 CA GLY A 1 -16.696 -21.656 6.677 1.00 75.34 C ATOM 3 C GLY A 1 -15.717 -22.024 7.774 1.00 42.20 C ATOM 4 O GLY A 1 -14.749 -21.310 8.036 1.00 32.13 O ATOM 0 H1 GLY A 1 -17.106 -19.836 5.833 1.00 52.10 H new ATOM 0 H2 GLY A 1 -15.538 -19.980 6.469 1.00 52.10 H new ATOM 0 H3 GLY A 1 -15.935 -20.747 5.007 1.00 52.10 H new ATOM 0 HA2 GLY A 1 -17.681 -21.490 7.114 1.00 75.34 H new ATOM 0 HA3 GLY A 1 -16.792 -22.492 5.984 1.00 75.34 H new ATOM 8 N PRO A 2 -15.966 -23.163 8.438 1.00 40.13 N ATOM 9 CA PRO A 2 -15.111 -23.649 9.524 1.00 24.23 C ATOM 10 C PRO A 2 -13.750 -24.123 9.023 1.00 33.41 C ATOM 11 O PRO A 2 -12.728 -23.909 9.676 1.00 30.34 O ATOM 12 CB PRO A 2 -15.905 -24.822 10.104 1.00 52.14 C ATOM 13 CG PRO A 2 -16.763 -25.290 8.980 1.00 30.33 C ATOM 14 CD PRO A 2 -17.101 -24.063 8.178 1.00 71.51 C ATOM 0 HA PRO A 2 -14.890 -22.866 10.249 1.00 24.23 H new ATOM 0 HB2 PRO A 2 -15.243 -25.614 10.453 1.00 52.14 H new ATOM 0 HB3 PRO A 2 -16.506 -24.510 10.958 1.00 52.14 H new ATOM 0 HG2 PRO A 2 -16.238 -26.024 8.368 1.00 30.33 H new ATOM 0 HG3 PRO A 2 -17.666 -25.773 9.353 1.00 30.33 H new ATOM 0 HD2 PRO A 2 -17.198 -24.291 7.117 1.00 71.51 H new ATOM 0 HD3 PRO A 2 -18.045 -23.622 8.497 1.00 71.51 H new ATOM 22 N LEU A 3 -13.744 -24.766 7.861 1.00 31.21 N ATOM 23 CA LEU A 3 -12.509 -25.271 7.272 1.00 52.42 C ATOM 24 C LEU A 3 -12.502 -25.063 5.760 1.00 4.42 C ATOM 25 O LEU A 3 -13.362 -25.580 5.049 1.00 3.04 O ATOM 26 CB LEU A 3 -12.335 -26.755 7.595 1.00 72.33 C ATOM 27 CG LEU A 3 -10.907 -27.296 7.519 1.00 22.04 C ATOM 28 CD1 LEU A 3 -10.701 -28.402 8.542 1.00 3.32 C ATOM 29 CD2 LEU A 3 -10.602 -27.801 6.116 1.00 3.25 C ATOM 0 H LEU A 3 -14.581 -24.950 7.308 1.00 31.21 H new ATOM 0 HA LEU A 3 -11.677 -24.713 7.701 1.00 52.42 H new ATOM 0 HB2 LEU A 3 -12.717 -26.935 8.600 1.00 72.33 H new ATOM 0 HB3 LEU A 3 -12.957 -27.331 6.910 1.00 72.33 H new ATOM 0 HG LEU A 3 -10.218 -26.483 7.749 1.00 22.04 H new ATOM 0 HD11 LEU A 3 -9.679 -28.775 8.474 1.00 3.32 H new ATOM 0 HD12 LEU A 3 -10.878 -28.009 9.543 1.00 3.32 H new ATOM 0 HD13 LEU A 3 -11.398 -29.216 8.343 1.00 3.32 H new ATOM 0 HD21 LEU A 3 -9.582 -28.182 6.080 1.00 3.25 H new ATOM 0 HD22 LEU A 3 -11.297 -28.600 5.858 1.00 3.25 H new ATOM 0 HD23 LEU A 3 -10.709 -26.983 5.404 1.00 3.25 H new ATOM 41 N GLY A 4 -11.523 -24.304 5.277 1.00 0.54 N ATOM 42 CA GLY A 4 -11.421 -24.044 3.853 1.00 12.41 C ATOM 43 C GLY A 4 -10.182 -23.247 3.497 1.00 2.21 C ATOM 44 O GLY A 4 -9.533 -23.514 2.486 1.00 34.42 O ATOM 0 H GLY A 4 -10.799 -23.865 5.846 1.00 0.54 H new ATOM 0 HA2 GLY A 4 -11.407 -24.991 3.314 1.00 12.41 H new ATOM 0 HA3 GLY A 4 -12.306 -23.501 3.521 1.00 12.41 H new ATOM 48 N SER A 5 -9.854 -22.263 4.328 1.00 62.32 N ATOM 49 CA SER A 5 -8.687 -21.420 4.093 1.00 64.13 C ATOM 50 C SER A 5 -7.433 -22.048 4.694 1.00 13.35 C ATOM 51 O SER A 5 -7.475 -23.155 5.231 1.00 11.22 O ATOM 52 CB SER A 5 -8.909 -20.028 4.686 1.00 61.25 C ATOM 53 OG SER A 5 -8.273 -19.033 3.901 1.00 13.44 O ATOM 0 H SER A 5 -10.380 -22.030 5.170 1.00 62.32 H new ATOM 0 HA SER A 5 -8.546 -21.329 3.016 1.00 64.13 H new ATOM 0 HB2 SER A 5 -9.977 -19.821 4.746 1.00 61.25 H new ATOM 0 HB3 SER A 5 -8.520 -19.996 5.704 1.00 61.25 H new ATOM 0 HG SER A 5 -8.431 -18.152 4.299 1.00 13.44 H new ATOM 59 N VAL A 6 -6.317 -21.332 4.601 1.00 63.33 N ATOM 60 CA VAL A 6 -5.051 -21.817 5.137 1.00 71.35 C ATOM 61 C VAL A 6 -4.325 -20.721 5.909 1.00 41.21 C ATOM 62 O VAL A 6 -4.471 -19.536 5.609 1.00 24.33 O ATOM 63 CB VAL A 6 -4.130 -22.336 4.017 1.00 23.21 C ATOM 64 CG1 VAL A 6 -4.624 -23.677 3.498 1.00 74.14 C ATOM 65 CG2 VAL A 6 -4.037 -21.319 2.889 1.00 34.11 C ATOM 0 H VAL A 6 -6.264 -20.414 4.159 1.00 63.33 H new ATOM 0 HA VAL A 6 -5.288 -22.638 5.813 1.00 71.35 H new ATOM 0 HB VAL A 6 -3.131 -22.479 4.429 1.00 23.21 H new ATOM 0 HG11 VAL A 6 -3.961 -24.028 2.707 1.00 74.14 H new ATOM 0 HG12 VAL A 6 -4.633 -24.401 4.312 1.00 74.14 H new ATOM 0 HG13 VAL A 6 -5.633 -23.564 3.102 1.00 74.14 H new ATOM 0 HG21 VAL A 6 -3.382 -21.702 2.106 1.00 34.11 H new ATOM 0 HG22 VAL A 6 -5.030 -21.141 2.476 1.00 34.11 H new ATOM 0 HG23 VAL A 6 -3.632 -20.384 3.275 1.00 34.11 H new ATOM 75 N ALA A 7 -3.544 -21.124 6.905 1.00 63.31 N ATOM 76 CA ALA A 7 -2.793 -20.177 7.720 1.00 44.15 C ATOM 77 C ALA A 7 -1.882 -19.311 6.855 1.00 13.04 C ATOM 78 O ALA A 7 -0.822 -19.753 6.415 1.00 5.35 O ATOM 79 CB ALA A 7 -1.978 -20.914 8.772 1.00 75.31 C ATOM 0 H ALA A 7 -3.415 -22.101 7.167 1.00 63.31 H new ATOM 0 HA ALA A 7 -3.506 -19.523 8.222 1.00 44.15 H new ATOM 0 HB1 ALA A 7 -1.423 -20.194 9.373 1.00 75.31 H new ATOM 0 HB2 ALA A 7 -2.647 -21.485 9.416 1.00 75.31 H new ATOM 0 HB3 ALA A 7 -1.280 -21.592 8.282 1.00 75.31 H new ATOM 85 N LYS A 8 -2.305 -18.075 6.615 1.00 54.55 N ATOM 86 CA LYS A 8 -1.528 -17.145 5.803 1.00 0.22 C ATOM 87 C LYS A 8 -1.612 -15.730 6.367 1.00 52.14 C ATOM 88 O LYS A 8 -2.608 -15.031 6.176 1.00 63.25 O ATOM 89 CB LYS A 8 -2.026 -17.158 4.356 1.00 35.23 C ATOM 90 CG LYS A 8 -1.188 -18.025 3.433 1.00 52.44 C ATOM 91 CD LYS A 8 -1.532 -17.778 1.973 1.00 64.30 C ATOM 92 CE LYS A 8 -0.419 -18.254 1.051 1.00 71.30 C ATOM 93 NZ LYS A 8 -0.957 -18.896 -0.181 1.00 25.04 N ATOM 0 H LYS A 8 -3.181 -17.693 6.971 1.00 54.55 H new ATOM 0 HA LYS A 8 -0.487 -17.466 5.825 1.00 0.22 H new ATOM 0 HB2 LYS A 8 -3.056 -17.513 4.338 1.00 35.23 H new ATOM 0 HB3 LYS A 8 -2.034 -16.137 3.974 1.00 35.23 H new ATOM 0 HG2 LYS A 8 -0.131 -17.819 3.599 1.00 52.44 H new ATOM 0 HG3 LYS A 8 -1.349 -19.076 3.673 1.00 52.44 H new ATOM 0 HD2 LYS A 8 -2.459 -18.295 1.724 1.00 64.30 H new ATOM 0 HD3 LYS A 8 -1.708 -16.714 1.814 1.00 64.30 H new ATOM 0 HE2 LYS A 8 0.211 -17.408 0.775 1.00 71.30 H new ATOM 0 HE3 LYS A 8 0.215 -18.963 1.583 1.00 71.30 H new ATOM 0 HZ1 LYS A 8 -0.168 -19.207 -0.783 1.00 25.04 H new ATOM 0 HZ2 LYS A 8 -1.537 -19.718 0.081 1.00 25.04 H new ATOM 0 HZ3 LYS A 8 -1.542 -18.212 -0.702 1.00 25.04 H new ATOM 107 N LYS A 9 -0.560 -15.311 7.062 1.00 64.35 N ATOM 108 CA LYS A 9 -0.512 -13.978 7.651 1.00 24.42 C ATOM 109 C LYS A 9 0.698 -13.201 7.141 1.00 35.45 C ATOM 110 O LYS A 9 1.790 -13.753 7.006 1.00 22.14 O ATOM 111 CB LYS A 9 -0.462 -14.075 9.178 1.00 52.00 C ATOM 112 CG LYS A 9 -0.828 -12.780 9.881 1.00 30.25 C ATOM 113 CD LYS A 9 -0.286 -12.744 11.300 1.00 2.40 C ATOM 114 CE LYS A 9 -0.625 -11.432 11.994 1.00 60.44 C ATOM 115 NZ LYS A 9 -1.230 -11.654 13.336 1.00 62.51 N ATOM 0 H LYS A 9 0.272 -15.876 7.231 1.00 64.35 H new ATOM 0 HA LYS A 9 -1.415 -13.444 7.356 1.00 24.42 H new ATOM 0 HB2 LYS A 9 -1.141 -14.862 9.506 1.00 52.00 H new ATOM 0 HB3 LYS A 9 0.541 -14.373 9.482 1.00 52.00 H new ATOM 0 HG2 LYS A 9 -0.432 -11.935 9.318 1.00 30.25 H new ATOM 0 HG3 LYS A 9 -1.912 -12.670 9.902 1.00 30.25 H new ATOM 0 HD2 LYS A 9 -0.700 -13.576 11.870 1.00 2.40 H new ATOM 0 HD3 LYS A 9 0.796 -12.878 11.281 1.00 2.40 H new ATOM 0 HE2 LYS A 9 0.279 -10.832 12.098 1.00 60.44 H new ATOM 0 HE3 LYS A 9 -1.316 -10.861 11.374 1.00 60.44 H new ATOM 0 HZ1 LYS A 9 -1.446 -10.737 13.775 1.00 62.51 H new ATOM 0 HZ2 LYS A 9 -2.106 -12.205 13.235 1.00 62.51 H new ATOM 0 HZ3 LYS A 9 -0.560 -12.176 13.937 1.00 62.51 H new ATOM 129 N ILE A 10 0.495 -11.918 6.861 1.00 11.13 N ATOM 130 CA ILE A 10 1.570 -11.065 6.369 1.00 11.03 C ATOM 131 C ILE A 10 2.068 -10.124 7.461 1.00 71.44 C ATOM 132 O ILE A 10 1.277 -9.530 8.192 1.00 1.54 O ATOM 133 CB ILE A 10 1.117 -10.232 5.155 1.00 32.12 C ATOM 134 CG1 ILE A 10 0.658 -11.151 4.021 1.00 23.24 C ATOM 135 CG2 ILE A 10 2.243 -9.324 4.686 1.00 65.51 C ATOM 136 CD1 ILE A 10 0.225 -10.406 2.778 1.00 12.54 C ATOM 0 H ILE A 10 -0.403 -11.447 6.966 1.00 11.13 H new ATOM 0 HA ILE A 10 2.382 -11.725 6.063 1.00 11.03 H new ATOM 0 HB ILE A 10 0.275 -9.608 5.455 1.00 32.12 H new ATOM 0 HG12 ILE A 10 1.470 -11.830 3.763 1.00 23.24 H new ATOM 0 HG13 ILE A 10 -0.171 -11.765 4.374 1.00 23.24 H new ATOM 0 HG21 ILE A 10 1.907 -8.742 3.828 1.00 65.51 H new ATOM 0 HG22 ILE A 10 2.527 -8.649 5.494 1.00 65.51 H new ATOM 0 HG23 ILE A 10 3.103 -9.929 4.400 1.00 65.51 H new ATOM 0 HD11 ILE A 10 -0.087 -11.120 2.016 1.00 12.54 H new ATOM 0 HD12 ILE A 10 -0.608 -9.747 3.021 1.00 12.54 H new ATOM 0 HD13 ILE A 10 1.058 -9.813 2.400 1.00 12.54 H new ATOM 148 N THR A 11 3.387 -9.991 7.563 1.00 52.21 N ATOM 149 CA THR A 11 3.992 -9.121 8.564 1.00 24.31 C ATOM 150 C THR A 11 4.694 -7.937 7.911 1.00 44.35 C ATOM 151 O THR A 11 5.788 -8.076 7.364 1.00 51.43 O ATOM 152 CB THR A 11 5.006 -9.888 9.434 1.00 13.04 C ATOM 153 OG1 THR A 11 4.475 -11.169 9.790 1.00 25.22 O ATOM 154 CG2 THR A 11 5.338 -9.103 10.695 1.00 30.13 C ATOM 0 H THR A 11 4.057 -10.475 6.965 1.00 52.21 H new ATOM 0 HA THR A 11 3.183 -8.756 9.197 1.00 24.31 H new ATOM 0 HB THR A 11 5.920 -10.022 8.856 1.00 13.04 H new ATOM 0 HG1 THR A 11 5.126 -11.651 10.341 1.00 25.22 H new ATOM 0 HG21 THR A 11 6.056 -9.663 11.294 1.00 30.13 H new ATOM 0 HG22 THR A 11 5.768 -8.140 10.421 1.00 30.13 H new ATOM 0 HG23 THR A 11 4.428 -8.943 11.274 1.00 30.13 H new ATOM 162 N TRP A 12 4.060 -6.772 7.972 1.00 54.20 N ATOM 163 CA TRP A 12 4.625 -5.561 7.386 1.00 20.03 C ATOM 164 C TRP A 12 5.790 -5.046 8.222 1.00 2.50 C ATOM 165 O TRP A 12 5.590 -4.428 9.268 1.00 24.52 O ATOM 166 CB TRP A 12 3.550 -4.479 7.264 1.00 72.54 C ATOM 167 CG TRP A 12 2.460 -4.832 6.298 1.00 63.42 C ATOM 168 CD1 TRP A 12 1.297 -5.490 6.579 1.00 73.15 C ATOM 169 CD2 TRP A 12 2.433 -4.547 4.895 1.00 41.45 C ATOM 170 NE1 TRP A 12 0.549 -5.630 5.435 1.00 73.52 N ATOM 171 CE2 TRP A 12 1.223 -5.060 4.389 1.00 53.24 C ATOM 172 CE3 TRP A 12 3.312 -3.905 4.018 1.00 61.13 C ATOM 173 CZ2 TRP A 12 0.873 -4.952 3.046 1.00 52.45 C ATOM 174 CZ3 TRP A 12 2.963 -3.800 2.685 1.00 43.42 C ATOM 175 CH2 TRP A 12 1.752 -4.319 2.209 1.00 63.32 C ATOM 0 H TRP A 12 3.154 -6.640 8.421 1.00 54.20 H new ATOM 0 HA TRP A 12 4.997 -5.807 6.391 1.00 20.03 H new ATOM 0 HB2 TRP A 12 3.112 -4.300 8.246 1.00 72.54 H new ATOM 0 HB3 TRP A 12 4.017 -3.546 6.949 1.00 72.54 H new ATOM 0 HD1 TRP A 12 1.008 -5.848 7.556 1.00 73.15 H new ATOM 0 HE1 TRP A 12 -0.362 -6.085 5.375 1.00 73.52 H new ATOM 0 HE3 TRP A 12 4.247 -3.499 4.376 1.00 61.13 H new ATOM 0 HZ2 TRP A 12 -0.059 -5.354 2.677 1.00 52.45 H new ATOM 0 HZ3 TRP A 12 3.636 -3.309 1.998 1.00 43.42 H new ATOM 0 HH2 TRP A 12 1.507 -4.218 1.162 1.00 63.32 H new ATOM 186 N ARG A 13 7.008 -5.302 7.754 1.00 2.51 N ATOM 187 CA ARG A 13 8.206 -4.863 8.461 1.00 51.11 C ATOM 188 C ARG A 13 8.482 -3.386 8.196 1.00 50.12 C ATOM 189 O ARG A 13 7.755 -2.731 7.448 1.00 43.00 O ATOM 190 CB ARG A 13 9.411 -5.703 8.035 1.00 55.24 C ATOM 191 CG ARG A 13 9.162 -7.200 8.096 1.00 32.43 C ATOM 192 CD ARG A 13 10.356 -7.987 7.577 1.00 55.41 C ATOM 193 NE ARG A 13 10.775 -9.027 8.512 1.00 43.23 N ATOM 194 CZ ARG A 13 11.477 -8.785 9.614 1.00 44.01 C ATOM 195 NH1 ARG A 13 11.836 -7.545 9.917 1.00 41.22 N ATOM 196 NH2 ARG A 13 11.821 -9.784 10.415 1.00 63.20 N ATOM 0 H ARG A 13 7.191 -5.811 6.889 1.00 2.51 H new ATOM 0 HA ARG A 13 8.038 -4.997 9.530 1.00 51.11 H new ATOM 0 HB2 ARG A 13 9.691 -5.431 7.017 1.00 55.24 H new ATOM 0 HB3 ARG A 13 10.259 -5.458 8.675 1.00 55.24 H new ATOM 0 HG2 ARG A 13 8.951 -7.493 9.125 1.00 32.43 H new ATOM 0 HG3 ARG A 13 8.279 -7.447 7.507 1.00 32.43 H new ATOM 0 HD2 ARG A 13 10.102 -8.442 6.619 1.00 55.41 H new ATOM 0 HD3 ARG A 13 11.188 -7.306 7.396 1.00 55.41 H new ATOM 0 HE ARG A 13 10.515 -9.992 8.308 1.00 43.23 H new ATOM 0 HH11 ARG A 13 11.573 -6.774 9.303 1.00 41.22 H new ATOM 0 HH12 ARG A 13 12.375 -7.363 10.764 1.00 41.22 H new ATOM 0 HH21 ARG A 13 11.547 -10.739 10.186 1.00 63.20 H new ATOM 0 HH22 ARG A 13 12.360 -9.597 11.261 1.00 63.20 H new ATOM 210 N LYS A 14 9.537 -2.866 8.815 1.00 62.51 N ATOM 211 CA LYS A 14 9.912 -1.468 8.646 1.00 11.41 C ATOM 212 C LYS A 14 10.403 -1.203 7.227 1.00 41.42 C ATOM 213 O LYS A 14 10.170 -0.130 6.670 1.00 20.14 O ATOM 214 CB LYS A 14 11.000 -1.085 9.654 1.00 50.13 C ATOM 215 CG LYS A 14 11.277 0.407 9.711 1.00 1.01 C ATOM 216 CD LYS A 14 12.318 0.740 10.766 1.00 10.15 C ATOM 217 CE LYS A 14 13.202 1.899 10.331 1.00 24.45 C ATOM 218 NZ LYS A 14 14.283 1.454 9.408 1.00 74.42 N ATOM 0 H LYS A 14 10.148 -3.393 9.439 1.00 62.51 H new ATOM 0 HA LYS A 14 9.027 -0.857 8.825 1.00 11.41 H new ATOM 0 HB2 LYS A 14 10.703 -1.429 10.645 1.00 50.13 H new ATOM 0 HB3 LYS A 14 11.921 -1.608 9.398 1.00 50.13 H new ATOM 0 HG2 LYS A 14 11.622 0.752 8.736 1.00 1.01 H new ATOM 0 HG3 LYS A 14 10.353 0.942 9.929 1.00 1.01 H new ATOM 0 HD2 LYS A 14 11.821 0.992 11.703 1.00 10.15 H new ATOM 0 HD3 LYS A 14 12.935 -0.137 10.959 1.00 10.15 H new ATOM 0 HE2 LYS A 14 12.592 2.656 9.838 1.00 24.45 H new ATOM 0 HE3 LYS A 14 13.645 2.368 11.210 1.00 24.45 H new ATOM 0 HZ1 LYS A 14 14.864 2.272 9.134 1.00 74.42 H new ATOM 0 HZ2 LYS A 14 14.880 0.750 9.887 1.00 74.42 H new ATOM 0 HZ3 LYS A 14 13.861 1.029 8.558 1.00 74.42 H new ATOM 232 N GLN A 15 11.083 -2.187 6.647 1.00 72.13 N ATOM 233 CA GLN A 15 11.606 -2.059 5.292 1.00 35.00 C ATOM 234 C GLN A 15 10.495 -2.236 4.261 1.00 34.35 C ATOM 235 O GLN A 15 10.426 -1.502 3.275 1.00 44.10 O ATOM 236 CB GLN A 15 12.711 -3.088 5.050 1.00 42.35 C ATOM 237 CG GLN A 15 13.639 -3.274 6.239 1.00 22.32 C ATOM 238 CD GLN A 15 15.100 -3.328 5.836 1.00 63.01 C ATOM 239 OE1 GLN A 15 15.571 -4.331 5.299 1.00 3.10 O ATOM 240 NE2 GLN A 15 15.825 -2.246 6.095 1.00 40.04 N ATOM 0 H GLN A 15 11.285 -3.081 7.094 1.00 72.13 H new ATOM 0 HA GLN A 15 12.022 -1.057 5.183 1.00 35.00 H new ATOM 0 HB2 GLN A 15 12.255 -4.047 4.802 1.00 42.35 H new ATOM 0 HB3 GLN A 15 13.299 -2.781 4.185 1.00 42.35 H new ATOM 0 HG2 GLN A 15 13.490 -2.455 6.943 1.00 22.32 H new ATOM 0 HG3 GLN A 15 13.376 -4.194 6.760 1.00 22.32 H new ATOM 0 HE21 GLN A 15 15.393 -1.437 6.542 1.00 40.04 H new ATOM 0 HE22 GLN A 15 16.814 -2.224 5.847 1.00 40.04 H new ATOM 249 N ASP A 16 9.628 -3.215 4.496 1.00 40.04 N ATOM 250 CA ASP A 16 8.520 -3.489 3.588 1.00 20.02 C ATOM 251 C ASP A 16 7.723 -2.219 3.305 1.00 1.11 C ATOM 252 O ASP A 16 7.272 -1.994 2.181 1.00 20.00 O ATOM 253 CB ASP A 16 7.601 -4.560 4.179 1.00 71.14 C ATOM 254 CG ASP A 16 8.076 -5.966 3.865 1.00 52.54 C ATOM 255 OD1 ASP A 16 8.047 -6.349 2.677 1.00 21.13 O ATOM 256 OD2 ASP A 16 8.474 -6.682 4.808 1.00 42.21 O ATOM 0 H ASP A 16 9.671 -3.832 5.307 1.00 40.04 H new ATOM 0 HA ASP A 16 8.935 -3.854 2.648 1.00 20.02 H new ATOM 0 HB2 ASP A 16 7.545 -4.431 5.260 1.00 71.14 H new ATOM 0 HB3 ASP A 16 6.592 -4.425 3.789 1.00 71.14 H new ATOM 261 N LEU A 17 7.552 -1.393 4.330 1.00 43.32 N ATOM 262 CA LEU A 17 6.810 -0.145 4.192 1.00 54.40 C ATOM 263 C LEU A 17 7.686 0.948 3.588 1.00 22.30 C ATOM 264 O LEU A 17 7.189 1.870 2.941 1.00 70.30 O ATOM 265 CB LEU A 17 6.276 0.308 5.553 1.00 45.21 C ATOM 266 CG LEU A 17 5.230 -0.601 6.199 1.00 15.34 C ATOM 267 CD1 LEU A 17 5.224 -0.417 7.709 1.00 55.24 C ATOM 268 CD2 LEU A 17 3.851 -0.322 5.620 1.00 13.33 C ATOM 0 H LEU A 17 7.917 -1.565 5.267 1.00 43.32 H new ATOM 0 HA LEU A 17 5.971 -0.324 3.520 1.00 54.40 H new ATOM 0 HB2 LEU A 17 7.118 0.403 6.238 1.00 45.21 H new ATOM 0 HB3 LEU A 17 5.844 1.302 5.439 1.00 45.21 H new ATOM 0 HG LEU A 17 5.491 -1.637 5.981 1.00 15.34 H new ATOM 0 HD11 LEU A 17 4.474 -1.072 8.152 1.00 55.24 H new ATOM 0 HD12 LEU A 17 6.206 -0.667 8.110 1.00 55.24 H new ATOM 0 HD13 LEU A 17 4.988 0.620 7.948 1.00 55.24 H new ATOM 0 HD21 LEU A 17 3.119 -0.978 6.091 1.00 13.33 H new ATOM 0 HD22 LEU A 17 3.581 0.717 5.808 1.00 13.33 H new ATOM 0 HD23 LEU A 17 3.864 -0.505 4.546 1.00 13.33 H new ATOM 280 N ASP A 18 8.993 0.836 3.801 1.00 14.02 N ATOM 281 CA ASP A 18 9.940 1.812 3.275 1.00 21.34 C ATOM 282 C ASP A 18 9.742 2.007 1.775 1.00 54.31 C ATOM 283 O ASP A 18 9.788 3.131 1.274 1.00 62.02 O ATOM 284 CB ASP A 18 11.375 1.366 3.559 1.00 34.10 C ATOM 285 CG ASP A 18 12.383 2.473 3.320 1.00 24.31 C ATOM 286 OD1 ASP A 18 12.036 3.452 2.627 1.00 64.01 O ATOM 287 OD2 ASP A 18 13.519 2.360 3.828 1.00 32.40 O ATOM 0 H ASP A 18 9.420 0.079 4.334 1.00 14.02 H new ATOM 0 HA ASP A 18 9.758 2.764 3.774 1.00 21.34 H new ATOM 0 HB2 ASP A 18 11.449 1.028 4.592 1.00 34.10 H new ATOM 0 HB3 ASP A 18 11.619 0.513 2.926 1.00 34.10 H new ATOM 292 N ARG A 19 9.522 0.906 1.064 1.00 21.41 N ATOM 293 CA ARG A 19 9.319 0.956 -0.378 1.00 62.43 C ATOM 294 C ARG A 19 7.877 1.326 -0.712 1.00 74.34 C ATOM 295 O ARG A 19 7.623 2.143 -1.598 1.00 73.22 O ATOM 296 CB ARG A 19 9.672 -0.391 -1.011 1.00 61.04 C ATOM 297 CG ARG A 19 9.402 -0.451 -2.506 1.00 54.35 C ATOM 298 CD ARG A 19 9.891 -1.759 -3.109 1.00 62.12 C ATOM 299 NE ARG A 19 11.340 -1.906 -2.995 1.00 55.14 N ATOM 300 CZ ARG A 19 12.205 -1.322 -3.818 1.00 14.12 C ATOM 301 NH1 ARG A 19 11.768 -0.556 -4.808 1.00 41.21 N ATOM 302 NH2 ARG A 19 13.508 -1.503 -3.650 1.00 24.33 N ATOM 0 H ARG A 19 9.480 -0.032 1.464 1.00 21.41 H new ATOM 0 HA ARG A 19 9.976 1.724 -0.786 1.00 62.43 H new ATOM 0 HB2 ARG A 19 10.726 -0.602 -0.832 1.00 61.04 H new ATOM 0 HB3 ARG A 19 9.101 -1.176 -0.515 1.00 61.04 H new ATOM 0 HG2 ARG A 19 8.333 -0.342 -2.688 1.00 54.35 H new ATOM 0 HG3 ARG A 19 9.896 0.386 -3.000 1.00 54.35 H new ATOM 0 HD2 ARG A 19 9.401 -2.594 -2.609 1.00 62.12 H new ATOM 0 HD3 ARG A 19 9.604 -1.804 -4.159 1.00 62.12 H new ATOM 0 HE ARG A 19 11.708 -2.489 -2.243 1.00 55.14 H new ATOM 0 HH11 ARG A 19 10.766 -0.414 -4.939 1.00 41.21 H new ATOM 0 HH12 ARG A 19 12.433 -0.109 -5.439 1.00 41.21 H new ATOM 0 HH21 ARG A 19 13.847 -2.091 -2.889 1.00 24.33 H new ATOM 0 HH22 ARG A 19 14.171 -1.054 -4.282 1.00 24.33 H new ATOM 316 N LEU A 20 6.936 0.717 0.001 1.00 52.10 N ATOM 317 CA LEU A 20 5.518 0.981 -0.220 1.00 73.01 C ATOM 318 C LEU A 20 5.227 2.477 -0.160 1.00 71.45 C ATOM 319 O LEU A 20 4.300 2.967 -0.807 1.00 24.44 O ATOM 320 CB LEU A 20 4.674 0.245 0.822 1.00 60.24 C ATOM 321 CG LEU A 20 3.158 0.343 0.649 1.00 44.24 C ATOM 322 CD1 LEU A 20 2.666 -0.699 -0.343 1.00 33.54 C ATOM 323 CD2 LEU A 20 2.457 0.181 1.989 1.00 30.33 C ATOM 0 H LEU A 20 7.129 0.037 0.737 1.00 52.10 H new ATOM 0 HA LEU A 20 5.257 0.618 -1.214 1.00 73.01 H new ATOM 0 HB2 LEU A 20 4.954 -0.808 0.808 1.00 60.24 H new ATOM 0 HB3 LEU A 20 4.933 0.631 1.808 1.00 60.24 H new ATOM 0 HG LEU A 20 2.919 1.331 0.255 1.00 44.24 H new ATOM 0 HD11 LEU A 20 1.585 -0.614 -0.453 1.00 33.54 H new ATOM 0 HD12 LEU A 20 3.143 -0.536 -1.309 1.00 33.54 H new ATOM 0 HD13 LEU A 20 2.917 -1.695 0.022 1.00 33.54 H new ATOM 0 HD21 LEU A 20 1.379 0.254 1.847 1.00 30.33 H new ATOM 0 HD22 LEU A 20 2.702 -0.793 2.413 1.00 30.33 H new ATOM 0 HD23 LEU A 20 2.787 0.966 2.669 1.00 30.33 H new ATOM 335 N LYS A 21 6.027 3.200 0.615 1.00 13.25 N ATOM 336 CA LYS A 21 5.859 4.642 0.757 1.00 20.22 C ATOM 337 C LYS A 21 6.128 5.353 -0.565 1.00 5.11 C ATOM 338 O LYS A 21 5.315 6.154 -1.026 1.00 65.31 O ATOM 339 CB LYS A 21 6.797 5.182 1.839 1.00 72.22 C ATOM 340 CG LYS A 21 6.420 6.567 2.334 1.00 11.33 C ATOM 341 CD LYS A 21 7.261 6.980 3.531 1.00 71.11 C ATOM 342 CE LYS A 21 7.141 8.470 3.808 1.00 5.25 C ATOM 343 NZ LYS A 21 6.923 8.749 5.255 1.00 22.42 N ATOM 0 H LYS A 21 6.800 2.811 1.156 1.00 13.25 H new ATOM 0 HA LYS A 21 4.827 4.835 1.050 1.00 20.22 H new ATOM 0 HB2 LYS A 21 6.800 4.492 2.683 1.00 72.22 H new ATOM 0 HB3 LYS A 21 7.813 5.210 1.446 1.00 72.22 H new ATOM 0 HG2 LYS A 21 6.551 7.290 1.529 1.00 11.33 H new ATOM 0 HG3 LYS A 21 5.365 6.582 2.607 1.00 11.33 H new ATOM 0 HD2 LYS A 21 6.945 6.419 4.410 1.00 71.11 H new ATOM 0 HD3 LYS A 21 8.305 6.726 3.349 1.00 71.11 H new ATOM 0 HE2 LYS A 21 8.046 8.976 3.473 1.00 5.25 H new ATOM 0 HE3 LYS A 21 6.314 8.881 3.230 1.00 5.25 H new ATOM 0 HZ1 LYS A 21 6.846 9.776 5.403 1.00 22.42 H new ATOM 0 HZ2 LYS A 21 6.046 8.287 5.569 1.00 22.42 H new ATOM 0 HZ3 LYS A 21 7.725 8.379 5.805 1.00 22.42 H new ATOM 357 N ARG A 22 7.273 5.054 -1.170 1.00 61.12 N ATOM 358 CA ARG A 22 7.649 5.665 -2.439 1.00 72.42 C ATOM 359 C ARG A 22 6.568 5.438 -3.493 1.00 62.42 C ATOM 360 O ARG A 22 6.432 6.216 -4.436 1.00 50.40 O ATOM 361 CB ARG A 22 8.981 5.095 -2.930 1.00 0.13 C ATOM 362 CG ARG A 22 10.195 5.774 -2.316 1.00 62.12 C ATOM 363 CD ARG A 22 10.602 5.113 -1.009 1.00 12.25 C ATOM 364 NE ARG A 22 11.875 5.625 -0.509 1.00 61.41 N ATOM 365 CZ ARG A 22 12.008 6.803 0.092 1.00 65.43 C ATOM 366 NH1 ARG A 22 10.953 7.586 0.266 1.00 32.53 N ATOM 367 NH2 ARG A 22 13.201 7.199 0.519 1.00 32.21 N ATOM 0 H ARG A 22 7.956 4.392 -0.802 1.00 61.12 H new ATOM 0 HA ARG A 22 7.758 6.738 -2.278 1.00 72.42 H new ATOM 0 HB2 ARG A 22 9.017 4.030 -2.703 1.00 0.13 H new ATOM 0 HB3 ARG A 22 9.031 5.191 -4.015 1.00 0.13 H new ATOM 0 HG2 ARG A 22 11.028 5.737 -3.018 1.00 62.12 H new ATOM 0 HG3 ARG A 22 9.974 6.827 -2.139 1.00 62.12 H new ATOM 0 HD2 ARG A 22 9.826 5.279 -0.262 1.00 12.25 H new ATOM 0 HD3 ARG A 22 10.677 4.036 -1.156 1.00 12.25 H new ATOM 0 HE ARG A 22 12.707 5.047 -0.627 1.00 61.41 H new ATOM 0 HH11 ARG A 22 10.035 7.285 -0.062 1.00 32.53 H new ATOM 0 HH12 ARG A 22 11.059 8.489 0.728 1.00 32.53 H new ATOM 0 HH21 ARG A 22 14.015 6.599 0.386 1.00 32.21 H new ATOM 0 HH22 ARG A 22 13.303 8.103 0.980 1.00 32.21 H new ATOM 381 N VAL A 23 5.802 4.364 -3.326 1.00 20.14 N ATOM 382 CA VAL A 23 4.734 4.034 -4.262 1.00 14.34 C ATOM 383 C VAL A 23 3.544 4.972 -4.090 1.00 15.04 C ATOM 384 O VAL A 23 3.032 5.526 -5.063 1.00 3.34 O ATOM 385 CB VAL A 23 4.258 2.580 -4.080 1.00 3.31 C ATOM 386 CG1 VAL A 23 3.290 2.193 -5.188 1.00 31.32 C ATOM 387 CG2 VAL A 23 5.447 1.632 -4.043 1.00 72.44 C ATOM 0 H VAL A 23 5.901 3.708 -2.551 1.00 20.14 H new ATOM 0 HA VAL A 23 5.144 4.152 -5.265 1.00 14.34 H new ATOM 0 HB VAL A 23 3.732 2.503 -3.128 1.00 3.31 H new ATOM 0 HG11 VAL A 23 2.964 1.163 -5.043 1.00 31.32 H new ATOM 0 HG12 VAL A 23 2.424 2.854 -5.162 1.00 31.32 H new ATOM 0 HG13 VAL A 23 3.787 2.284 -6.154 1.00 31.32 H new ATOM 0 HG21 VAL A 23 5.093 0.609 -3.914 1.00 72.44 H new ATOM 0 HG22 VAL A 23 6.003 1.708 -4.978 1.00 72.44 H new ATOM 0 HG23 VAL A 23 6.099 1.898 -3.211 1.00 72.44 H new ATOM 397 N ILE A 24 3.109 5.144 -2.846 1.00 12.33 N ATOM 398 CA ILE A 24 1.980 6.015 -2.547 1.00 14.44 C ATOM 399 C ILE A 24 2.291 7.463 -2.911 1.00 63.03 C ATOM 400 O ILE A 24 1.389 8.250 -3.196 1.00 64.11 O ATOM 401 CB ILE A 24 1.593 5.945 -1.057 1.00 70.00 C ATOM 402 CG1 ILE A 24 1.240 4.508 -0.667 1.00 34.11 C ATOM 403 CG2 ILE A 24 0.427 6.879 -0.767 1.00 44.45 C ATOM 404 CD1 ILE A 24 0.861 4.353 0.789 1.00 71.31 C ATOM 0 H ILE A 24 3.521 4.692 -2.030 1.00 12.33 H new ATOM 0 HA ILE A 24 1.142 5.663 -3.149 1.00 14.44 H new ATOM 0 HB ILE A 24 2.447 6.265 -0.460 1.00 70.00 H new ATOM 0 HG12 ILE A 24 0.413 4.164 -1.288 1.00 34.11 H new ATOM 0 HG13 ILE A 24 2.091 3.862 -0.883 1.00 34.11 H new ATOM 0 HG21 ILE A 24 0.166 6.818 0.289 1.00 44.45 H new ATOM 0 HG22 ILE A 24 0.711 7.902 -1.012 1.00 44.45 H new ATOM 0 HG23 ILE A 24 -0.432 6.587 -1.371 1.00 44.45 H new ATOM 0 HD11 ILE A 24 0.623 3.309 0.994 1.00 71.31 H new ATOM 0 HD12 ILE A 24 1.695 4.665 1.417 1.00 71.31 H new ATOM 0 HD13 ILE A 24 -0.009 4.973 1.006 1.00 71.31 H new ATOM 416 N ALA A 25 3.575 7.807 -2.900 1.00 34.10 N ATOM 417 CA ALA A 25 4.006 9.159 -3.234 1.00 24.33 C ATOM 418 C ALA A 25 4.071 9.358 -4.744 1.00 22.44 C ATOM 419 O ALA A 25 3.948 10.479 -5.239 1.00 55.12 O ATOM 420 CB ALA A 25 5.359 9.452 -2.601 1.00 50.12 C ATOM 0 H ALA A 25 4.334 7.168 -2.664 1.00 34.10 H new ATOM 0 HA ALA A 25 3.271 9.858 -2.834 1.00 24.33 H new ATOM 0 HB1 ALA A 25 5.669 10.465 -2.858 1.00 50.12 H new ATOM 0 HB2 ALA A 25 5.281 9.360 -1.518 1.00 50.12 H new ATOM 0 HB3 ALA A 25 6.097 8.741 -2.973 1.00 50.12 H new ATOM 426 N LEU A 26 4.268 8.264 -5.472 1.00 34.22 N ATOM 427 CA LEU A 26 4.349 8.319 -6.927 1.00 61.43 C ATOM 428 C LEU A 26 2.965 8.190 -7.556 1.00 25.21 C ATOM 429 O LEU A 26 2.640 8.890 -8.515 1.00 14.11 O ATOM 430 CB LEU A 26 5.264 7.208 -7.447 1.00 61.44 C ATOM 431 CG LEU A 26 5.628 7.278 -8.932 1.00 35.14 C ATOM 432 CD1 LEU A 26 6.407 8.549 -9.231 1.00 5.15 C ATOM 433 CD2 LEU A 26 6.426 6.050 -9.344 1.00 3.22 C ATOM 0 H LEU A 26 4.374 7.329 -5.079 1.00 34.22 H new ATOM 0 HA LEU A 26 4.765 9.287 -7.207 1.00 61.43 H new ATOM 0 HB2 LEU A 26 6.186 7.223 -6.866 1.00 61.44 H new ATOM 0 HB3 LEU A 26 4.782 6.249 -7.256 1.00 61.44 H new ATOM 0 HG LEU A 26 4.706 7.298 -9.512 1.00 35.14 H new ATOM 0 HD11 LEU A 26 6.657 8.581 -10.291 1.00 5.15 H new ATOM 0 HD12 LEU A 26 5.799 9.417 -8.975 1.00 5.15 H new ATOM 0 HD13 LEU A 26 7.324 8.561 -8.641 1.00 5.15 H new ATOM 0 HD21 LEU A 26 6.676 6.117 -10.403 1.00 3.22 H new ATOM 0 HD22 LEU A 26 7.343 5.998 -8.757 1.00 3.22 H new ATOM 0 HD23 LEU A 26 5.831 5.154 -9.168 1.00 3.22 H new ATOM 445 N LYS A 27 2.154 7.292 -7.009 1.00 73.22 N ATOM 446 CA LYS A 27 0.803 7.073 -7.513 1.00 2.11 C ATOM 447 C LYS A 27 -0.181 8.046 -6.872 1.00 23.31 C ATOM 448 O LYS A 27 -1.001 8.658 -7.557 1.00 23.53 O ATOM 449 CB LYS A 27 0.363 5.632 -7.242 1.00 10.53 C ATOM 450 CG LYS A 27 1.238 4.591 -7.920 1.00 33.05 C ATOM 451 CD LYS A 27 1.244 4.767 -9.429 1.00 65.52 C ATOM 452 CE LYS A 27 1.919 3.593 -10.123 1.00 71.21 C ATOM 453 NZ LYS A 27 1.858 3.716 -11.606 1.00 35.25 N ATOM 0 H LYS A 27 2.408 6.703 -6.216 1.00 73.22 H new ATOM 0 HA LYS A 27 0.810 7.248 -8.589 1.00 2.11 H new ATOM 0 HB2 LYS A 27 0.370 5.455 -6.166 1.00 10.53 H new ATOM 0 HB3 LYS A 27 -0.666 5.505 -7.580 1.00 10.53 H new ATOM 0 HG2 LYS A 27 2.257 4.667 -7.540 1.00 33.05 H new ATOM 0 HG3 LYS A 27 0.878 3.593 -7.670 1.00 33.05 H new ATOM 0 HD2 LYS A 27 0.220 4.865 -9.789 1.00 65.52 H new ATOM 0 HD3 LYS A 27 1.762 5.691 -9.687 1.00 65.52 H new ATOM 0 HE2 LYS A 27 2.960 3.533 -9.806 1.00 71.21 H new ATOM 0 HE3 LYS A 27 1.439 2.664 -9.815 1.00 71.21 H new ATOM 0 HZ1 LYS A 27 2.442 2.973 -12.040 1.00 35.25 H new ATOM 0 HZ2 LYS A 27 0.873 3.611 -11.923 1.00 35.25 H new ATOM 0 HZ3 LYS A 27 2.216 4.650 -11.892 1.00 35.25 H new ATOM 467 N LYS A 28 -0.094 8.185 -5.553 1.00 61.12 N ATOM 468 CA LYS A 28 -0.975 9.085 -4.819 1.00 55.42 C ATOM 469 C LYS A 28 -2.439 8.758 -5.093 1.00 61.21 C ATOM 470 O LYS A 28 -3.152 9.503 -5.767 1.00 2.55 O ATOM 471 CB LYS A 28 -0.686 10.539 -5.201 1.00 71.25 C ATOM 472 CG LYS A 28 0.699 11.011 -4.794 1.00 61.35 C ATOM 473 CD LYS A 28 0.891 12.490 -5.082 1.00 71.42 C ATOM 474 CE LYS A 28 0.250 13.355 -4.009 1.00 0.14 C ATOM 475 NZ LYS A 28 0.830 14.727 -3.982 1.00 32.21 N ATOM 0 H LYS A 28 0.578 7.685 -4.971 1.00 61.12 H new ATOM 0 HA LYS A 28 -0.784 8.950 -3.754 1.00 55.42 H new ATOM 0 HB2 LYS A 28 -0.797 10.651 -6.280 1.00 71.25 H new ATOM 0 HB3 LYS A 28 -1.432 11.183 -4.735 1.00 71.25 H new ATOM 0 HG2 LYS A 28 0.850 10.824 -3.731 1.00 61.35 H new ATOM 0 HG3 LYS A 28 1.453 10.434 -5.330 1.00 61.35 H new ATOM 0 HD2 LYS A 28 1.956 12.714 -5.143 1.00 71.42 H new ATOM 0 HD3 LYS A 28 0.458 12.732 -6.053 1.00 71.42 H new ATOM 0 HE2 LYS A 28 -0.824 13.418 -4.187 1.00 0.14 H new ATOM 0 HE3 LYS A 28 0.385 12.885 -3.035 1.00 0.14 H new ATOM 0 HZ1 LYS A 28 0.366 15.285 -3.237 1.00 32.21 H new ATOM 0 HZ2 LYS A 28 1.850 14.669 -3.787 1.00 32.21 H new ATOM 0 HZ3 LYS A 28 0.679 15.186 -4.903 1.00 32.21 H new ATOM 489 N PRO A 29 -2.902 7.618 -4.560 1.00 61.30 N ATOM 490 CA PRO A 29 -4.286 7.167 -4.733 1.00 24.11 C ATOM 491 C PRO A 29 -5.279 8.039 -3.973 1.00 11.43 C ATOM 492 O PRO A 29 -4.937 8.644 -2.957 1.00 44.41 O ATOM 493 CB PRO A 29 -4.271 5.748 -4.159 1.00 30.04 C ATOM 494 CG PRO A 29 -3.144 5.745 -3.185 1.00 51.11 C ATOM 495 CD PRO A 29 -2.109 6.680 -3.747 1.00 61.32 C ATOM 0 HA PRO A 29 -4.604 7.217 -5.774 1.00 24.11 H new ATOM 0 HB2 PRO A 29 -5.216 5.508 -3.672 1.00 30.04 H new ATOM 0 HB3 PRO A 29 -4.119 5.006 -4.943 1.00 30.04 H new ATOM 0 HG2 PRO A 29 -3.477 6.077 -2.202 1.00 51.11 H new ATOM 0 HG3 PRO A 29 -2.737 4.741 -3.062 1.00 51.11 H new ATOM 0 HD2 PRO A 29 -1.562 7.196 -2.957 1.00 61.32 H new ATOM 0 HD3 PRO A 29 -1.373 6.149 -4.350 1.00 61.32 H new ATOM 503 N SER A 30 -6.510 8.099 -4.471 1.00 3.03 N ATOM 504 CA SER A 30 -7.551 8.901 -3.840 1.00 0.14 C ATOM 505 C SER A 30 -8.494 8.022 -3.024 1.00 62.44 C ATOM 506 O SER A 30 -9.700 8.261 -2.979 1.00 74.21 O ATOM 507 CB SER A 30 -8.342 9.672 -4.898 1.00 12.02 C ATOM 508 OG SER A 30 -8.861 10.879 -4.368 1.00 1.31 O ATOM 0 H SER A 30 -6.810 7.602 -5.309 1.00 3.03 H new ATOM 0 HA SER A 30 -7.070 9.611 -3.167 1.00 0.14 H new ATOM 0 HB2 SER A 30 -7.698 9.892 -5.749 1.00 12.02 H new ATOM 0 HB3 SER A 30 -9.159 9.053 -5.268 1.00 12.02 H new ATOM 0 HG SER A 30 -9.361 11.354 -5.064 1.00 1.31 H new ATOM 514 N ALA A 31 -7.934 7.003 -2.381 1.00 24.12 N ATOM 515 CA ALA A 31 -8.723 6.088 -1.564 1.00 42.30 C ATOM 516 C ALA A 31 -9.731 5.322 -2.416 1.00 43.53 C ATOM 517 O ALA A 31 -10.915 5.654 -2.441 1.00 50.23 O ATOM 518 CB ALA A 31 -9.436 6.850 -0.457 1.00 60.12 C ATOM 0 H ALA A 31 -6.937 6.790 -2.410 1.00 24.12 H new ATOM 0 HA ALA A 31 -8.044 5.365 -1.113 1.00 42.30 H new ATOM 0 HB1 ALA A 31 -10.021 6.155 0.145 1.00 60.12 H new ATOM 0 HB2 ALA A 31 -8.700 7.347 0.175 1.00 60.12 H new ATOM 0 HB3 ALA A 31 -10.099 7.595 -0.897 1.00 60.12 H new ATOM 524 N SER A 32 -9.251 4.297 -3.112 1.00 50.02 N ATOM 525 CA SER A 32 -10.109 3.487 -3.968 1.00 72.44 C ATOM 526 C SER A 32 -9.395 2.208 -4.400 1.00 53.50 C ATOM 527 O SER A 32 -8.233 2.240 -4.804 1.00 11.02 O ATOM 528 CB SER A 32 -10.535 4.286 -5.202 1.00 15.13 C ATOM 529 OG SER A 32 -11.835 4.826 -5.034 1.00 13.21 O ATOM 0 H SER A 32 -8.273 4.008 -3.100 1.00 50.02 H new ATOM 0 HA SER A 32 -10.996 3.213 -3.396 1.00 72.44 H new ATOM 0 HB2 SER A 32 -9.823 5.092 -5.381 1.00 15.13 H new ATOM 0 HB3 SER A 32 -10.516 3.642 -6.081 1.00 15.13 H new ATOM 0 HG SER A 32 -11.899 5.257 -4.156 1.00 13.21 H new ATOM 535 N ASP A 33 -10.101 1.086 -4.310 1.00 50.42 N ATOM 536 CA ASP A 33 -9.537 -0.203 -4.691 1.00 23.02 C ATOM 537 C ASP A 33 -8.944 -0.143 -6.095 1.00 50.03 C ATOM 538 O ASP A 33 -7.992 -0.857 -6.409 1.00 23.10 O ATOM 539 CB ASP A 33 -10.608 -1.293 -4.623 1.00 51.10 C ATOM 540 CG ASP A 33 -11.724 -1.072 -5.625 1.00 42.34 C ATOM 541 OD1 ASP A 33 -12.488 -0.100 -5.457 1.00 42.30 O ATOM 542 OD2 ASP A 33 -11.832 -1.872 -6.578 1.00 72.25 O ATOM 0 H ASP A 33 -11.064 1.043 -3.977 1.00 50.42 H new ATOM 0 HA ASP A 33 -8.739 -0.444 -3.989 1.00 23.02 H new ATOM 0 HB2 ASP A 33 -10.147 -2.263 -4.806 1.00 51.10 H new ATOM 0 HB3 ASP A 33 -11.027 -1.324 -3.617 1.00 51.10 H new ATOM 547 N ALA A 34 -9.514 0.712 -6.937 1.00 12.20 N ATOM 548 CA ALA A 34 -9.041 0.866 -8.308 1.00 1.41 C ATOM 549 C ALA A 34 -7.678 1.547 -8.344 1.00 43.43 C ATOM 550 O ALA A 34 -6.819 1.195 -9.153 1.00 20.23 O ATOM 551 CB ALA A 34 -10.050 1.655 -9.128 1.00 51.51 C ATOM 0 H ALA A 34 -10.304 1.309 -6.694 1.00 12.20 H new ATOM 0 HA ALA A 34 -8.933 -0.127 -8.744 1.00 1.41 H new ATOM 0 HB1 ALA A 34 -9.684 1.763 -10.149 1.00 51.51 H new ATOM 0 HB2 ALA A 34 -11.003 1.127 -9.138 1.00 51.51 H new ATOM 0 HB3 ALA A 34 -10.186 2.642 -8.686 1.00 51.51 H new ATOM 557 N ASP A 35 -7.485 2.524 -7.466 1.00 15.14 N ATOM 558 CA ASP A 35 -6.225 3.255 -7.398 1.00 23.50 C ATOM 559 C ASP A 35 -5.136 2.401 -6.756 1.00 61.13 C ATOM 560 O ASP A 35 -3.967 2.482 -7.135 1.00 0.45 O ATOM 561 CB ASP A 35 -6.405 4.553 -6.608 1.00 24.31 C ATOM 562 CG ASP A 35 -7.292 5.550 -7.326 1.00 64.23 C ATOM 563 OD1 ASP A 35 -8.485 5.244 -7.531 1.00 41.34 O ATOM 564 OD2 ASP A 35 -6.792 6.637 -7.685 1.00 4.34 O ATOM 0 H ASP A 35 -8.186 2.829 -6.790 1.00 15.14 H new ATOM 0 HA ASP A 35 -5.919 3.498 -8.416 1.00 23.50 H new ATOM 0 HB2 ASP A 35 -6.835 4.325 -5.633 1.00 24.31 H new ATOM 0 HB3 ASP A 35 -5.429 5.003 -6.428 1.00 24.31 H new ATOM 569 N TRP A 36 -5.527 1.584 -5.785 1.00 13.32 N ATOM 570 CA TRP A 36 -4.583 0.716 -5.090 1.00 33.14 C ATOM 571 C TRP A 36 -4.164 -0.452 -5.976 1.00 53.42 C ATOM 572 O TRP A 36 -3.162 -1.118 -5.711 1.00 13.13 O ATOM 573 CB TRP A 36 -5.200 0.192 -3.792 1.00 75.32 C ATOM 574 CG TRP A 36 -5.198 1.201 -2.684 1.00 31.20 C ATOM 575 CD1 TRP A 36 -6.246 1.979 -2.283 1.00 3.34 C ATOM 576 CD2 TRP A 36 -4.096 1.539 -1.836 1.00 40.34 C ATOM 577 NE1 TRP A 36 -5.861 2.782 -1.236 1.00 41.43 N ATOM 578 CE2 TRP A 36 -4.547 2.531 -0.942 1.00 42.43 C ATOM 579 CE3 TRP A 36 -2.772 1.101 -1.743 1.00 61.44 C ATOM 580 CZ2 TRP A 36 -3.719 3.090 0.028 1.00 33.32 C ATOM 581 CZ3 TRP A 36 -1.953 1.656 -0.780 1.00 5.31 C ATOM 582 CH2 TRP A 36 -2.428 2.641 0.097 1.00 51.15 C ATOM 0 H TRP A 36 -6.491 1.504 -5.461 1.00 13.32 H new ATOM 0 HA TRP A 36 -3.696 1.303 -4.851 1.00 33.14 H new ATOM 0 HB2 TRP A 36 -6.226 -0.122 -3.986 1.00 75.32 H new ATOM 0 HB3 TRP A 36 -4.652 -0.693 -3.469 1.00 75.32 H new ATOM 0 HD1 TRP A 36 -7.232 1.965 -2.724 1.00 3.34 H new ATOM 0 HE1 TRP A 36 -6.457 3.456 -0.756 1.00 41.43 H new ATOM 0 HE3 TRP A 36 -2.396 0.342 -2.413 1.00 61.44 H new ATOM 0 HZ2 TRP A 36 -4.083 3.851 0.702 1.00 33.32 H new ATOM 0 HZ3 TRP A 36 -0.928 1.325 -0.701 1.00 5.31 H new ATOM 0 HH2 TRP A 36 -1.763 3.053 0.841 1.00 51.15 H new ATOM 593 N THR A 37 -4.936 -0.696 -7.032 1.00 4.43 N ATOM 594 CA THR A 37 -4.644 -1.783 -7.956 1.00 32.10 C ATOM 595 C THR A 37 -3.216 -1.692 -8.480 1.00 5.23 C ATOM 596 O THR A 37 -2.567 -2.710 -8.720 1.00 43.22 O ATOM 597 CB THR A 37 -5.618 -1.782 -9.149 1.00 43.14 C ATOM 598 OG1 THR A 37 -6.919 -1.366 -8.720 1.00 4.33 O ATOM 599 CG2 THR A 37 -5.704 -3.164 -9.779 1.00 33.43 C ATOM 0 H THR A 37 -5.768 -0.155 -7.267 1.00 4.43 H new ATOM 0 HA THR A 37 -4.764 -2.712 -7.399 1.00 32.10 H new ATOM 0 HB THR A 37 -5.242 -1.083 -9.895 1.00 43.14 H new ATOM 0 HG1 THR A 37 -7.012 -1.525 -7.757 1.00 4.33 H new ATOM 0 HG21 THR A 37 -6.398 -3.138 -10.619 1.00 33.43 H new ATOM 0 HG22 THR A 37 -4.718 -3.465 -10.132 1.00 33.43 H new ATOM 0 HG23 THR A 37 -6.058 -3.880 -9.038 1.00 33.43 H new ATOM 607 N GLU A 38 -2.731 -0.466 -8.655 1.00 13.13 N ATOM 608 CA GLU A 38 -1.378 -0.244 -9.151 1.00 51.34 C ATOM 609 C GLU A 38 -0.357 -0.377 -8.026 1.00 4.45 C ATOM 610 O GLU A 38 0.589 -1.159 -8.120 1.00 21.11 O ATOM 611 CB GLU A 38 -1.268 1.141 -9.793 1.00 31.42 C ATOM 612 CG GLU A 38 -1.897 1.223 -11.174 1.00 40.42 C ATOM 613 CD GLU A 38 -2.281 2.639 -11.556 1.00 52.42 C ATOM 614 OE1 GLU A 38 -3.397 3.068 -11.197 1.00 54.35 O ATOM 615 OE2 GLU A 38 -1.465 3.319 -12.214 1.00 70.31 O ATOM 0 H GLU A 38 -3.255 0.387 -8.461 1.00 13.13 H new ATOM 0 HA GLU A 38 -1.165 -1.004 -9.903 1.00 51.34 H new ATOM 0 HB2 GLU A 38 -1.745 1.873 -9.142 1.00 31.42 H new ATOM 0 HB3 GLU A 38 -0.216 1.416 -9.865 1.00 31.42 H new ATOM 0 HG2 GLU A 38 -1.198 0.828 -11.912 1.00 40.42 H new ATOM 0 HG3 GLU A 38 -2.783 0.589 -11.204 1.00 40.42 H new ATOM 622 N VAL A 39 -0.556 0.392 -6.960 1.00 11.45 N ATOM 623 CA VAL A 39 0.346 0.361 -5.814 1.00 62.54 C ATOM 624 C VAL A 39 0.545 -1.064 -5.311 1.00 64.31 C ATOM 625 O VAL A 39 1.671 -1.490 -5.046 1.00 61.13 O ATOM 626 CB VAL A 39 -0.182 1.232 -4.660 1.00 43.14 C ATOM 627 CG1 VAL A 39 0.777 1.191 -3.479 1.00 74.10 C ATOM 628 CG2 VAL A 39 -0.401 2.663 -5.130 1.00 24.52 C ATOM 0 H VAL A 39 -1.334 1.045 -6.866 1.00 11.45 H new ATOM 0 HA VAL A 39 1.302 0.761 -6.152 1.00 62.54 H new ATOM 0 HB VAL A 39 -1.141 0.830 -4.333 1.00 43.14 H new ATOM 0 HG11 VAL A 39 0.388 1.812 -2.672 1.00 74.10 H new ATOM 0 HG12 VAL A 39 0.879 0.164 -3.129 1.00 74.10 H new ATOM 0 HG13 VAL A 39 1.752 1.567 -3.789 1.00 74.10 H new ATOM 0 HG21 VAL A 39 -0.774 3.265 -4.302 1.00 24.52 H new ATOM 0 HG22 VAL A 39 0.543 3.078 -5.484 1.00 24.52 H new ATOM 0 HG23 VAL A 39 -1.128 2.672 -5.942 1.00 24.52 H new ATOM 638 N LEU A 40 -0.554 -1.800 -5.183 1.00 5.41 N ATOM 639 CA LEU A 40 -0.501 -3.179 -4.711 1.00 70.22 C ATOM 640 C LEU A 40 0.099 -4.095 -5.773 1.00 2.23 C ATOM 641 O LEU A 40 0.553 -5.198 -5.470 1.00 31.30 O ATOM 642 CB LEU A 40 -1.902 -3.665 -4.335 1.00 45.35 C ATOM 643 CG LEU A 40 -2.687 -4.368 -5.443 1.00 0.14 C ATOM 644 CD1 LEU A 40 -2.410 -5.864 -5.426 1.00 14.22 C ATOM 645 CD2 LEU A 40 -4.177 -4.098 -5.294 1.00 31.43 C ATOM 0 H LEU A 40 -1.493 -1.464 -5.400 1.00 5.41 H new ATOM 0 HA LEU A 40 0.137 -3.210 -3.828 1.00 70.22 H new ATOM 0 HB2 LEU A 40 -1.814 -4.348 -3.490 1.00 45.35 H new ATOM 0 HB3 LEU A 40 -2.483 -2.808 -3.993 1.00 45.35 H new ATOM 0 HG LEU A 40 -2.360 -3.969 -6.403 1.00 0.14 H new ATOM 0 HD11 LEU A 40 -2.977 -6.348 -6.221 1.00 14.22 H new ATOM 0 HD12 LEU A 40 -1.345 -6.039 -5.581 1.00 14.22 H new ATOM 0 HD13 LEU A 40 -2.709 -6.278 -4.463 1.00 14.22 H new ATOM 0 HD21 LEU A 40 -4.720 -4.606 -6.091 1.00 31.43 H new ATOM 0 HD22 LEU A 40 -4.519 -4.469 -4.328 1.00 31.43 H new ATOM 0 HD23 LEU A 40 -4.360 -3.025 -5.356 1.00 31.43 H new ATOM 657 N ARG A 41 0.101 -3.628 -7.018 1.00 5.23 N ATOM 658 CA ARG A 41 0.646 -4.405 -8.124 1.00 42.54 C ATOM 659 C ARG A 41 2.154 -4.585 -7.969 1.00 63.42 C ATOM 660 O ARG A 41 2.649 -5.710 -7.879 1.00 13.13 O ATOM 661 CB ARG A 41 0.338 -3.719 -9.457 1.00 5.21 C ATOM 662 CG ARG A 41 -0.280 -4.646 -10.490 1.00 31.51 C ATOM 663 CD ARG A 41 -0.322 -4.000 -11.866 1.00 5.44 C ATOM 664 NE ARG A 41 -0.274 -4.990 -12.937 1.00 43.23 N ATOM 665 CZ ARG A 41 0.848 -5.563 -13.360 1.00 43.20 C ATOM 666 NH1 ARG A 41 2.008 -5.245 -12.803 1.00 22.11 N ATOM 667 NH2 ARG A 41 0.810 -6.455 -14.340 1.00 64.54 N ATOM 0 H ARG A 41 -0.269 -2.716 -7.285 1.00 5.23 H new ATOM 0 HA ARG A 41 0.176 -5.388 -8.112 1.00 42.54 H new ATOM 0 HB2 ARG A 41 -0.340 -2.884 -9.278 1.00 5.21 H new ATOM 0 HB3 ARG A 41 1.259 -3.300 -9.862 1.00 5.21 H new ATOM 0 HG2 ARG A 41 0.294 -5.571 -10.539 1.00 31.51 H new ATOM 0 HG3 ARG A 41 -1.291 -4.913 -10.182 1.00 31.51 H new ATOM 0 HD2 ARG A 41 -1.232 -3.408 -11.961 1.00 5.44 H new ATOM 0 HD3 ARG A 41 0.518 -3.313 -11.970 1.00 5.44 H new ATOM 0 HE ARG A 41 -1.150 -5.257 -13.386 1.00 43.23 H new ATOM 0 HH11 ARG A 41 2.040 -4.559 -12.048 1.00 22.11 H new ATOM 0 HH12 ARG A 41 2.868 -5.686 -13.129 1.00 22.11 H new ATOM 0 HH21 ARG A 41 -0.081 -6.702 -14.770 1.00 64.54 H new ATOM 0 HH22 ARG A 41 1.672 -6.894 -14.664 1.00 64.54 H new ATOM 681 N LEU A 42 2.879 -3.472 -7.942 1.00 32.10 N ATOM 682 CA LEU A 42 4.330 -3.508 -7.799 1.00 53.30 C ATOM 683 C LEU A 42 4.735 -4.252 -6.531 1.00 15.12 C ATOM 684 O LEU A 42 5.801 -4.866 -6.472 1.00 1.44 O ATOM 685 CB LEU A 42 4.895 -2.087 -7.772 1.00 13.31 C ATOM 686 CG LEU A 42 4.393 -1.145 -8.867 1.00 44.04 C ATOM 687 CD1 LEU A 42 3.500 -0.066 -8.276 1.00 40.05 C ATOM 688 CD2 LEU A 42 5.566 -0.521 -9.611 1.00 72.21 C ATOM 0 H LEU A 42 2.486 -2.534 -8.017 1.00 32.10 H new ATOM 0 HA LEU A 42 4.741 -4.040 -8.657 1.00 53.30 H new ATOM 0 HB2 LEU A 42 4.663 -1.643 -6.804 1.00 13.31 H new ATOM 0 HB3 LEU A 42 5.981 -2.148 -7.842 1.00 13.31 H new ATOM 0 HG LEU A 42 3.804 -1.725 -9.577 1.00 44.04 H new ATOM 0 HD11 LEU A 42 3.153 0.594 -9.071 1.00 40.05 H new ATOM 0 HD12 LEU A 42 2.642 -0.530 -7.789 1.00 40.05 H new ATOM 0 HD13 LEU A 42 4.064 0.512 -7.544 1.00 40.05 H new ATOM 0 HD21 LEU A 42 5.191 0.147 -10.387 1.00 72.21 H new ATOM 0 HD22 LEU A 42 6.181 0.045 -8.911 1.00 72.21 H new ATOM 0 HD23 LEU A 42 6.167 -1.307 -10.068 1.00 72.21 H new ATOM 700 N LEU A 43 3.876 -4.196 -5.518 1.00 41.53 N ATOM 701 CA LEU A 43 4.143 -4.865 -4.250 1.00 75.52 C ATOM 702 C LEU A 43 3.649 -6.309 -4.284 1.00 0.34 C ATOM 703 O LEU A 43 3.977 -7.107 -3.407 1.00 12.32 O ATOM 704 CB LEU A 43 3.471 -4.111 -3.101 1.00 61.33 C ATOM 705 CG LEU A 43 4.307 -3.941 -1.832 1.00 42.32 C ATOM 706 CD1 LEU A 43 5.039 -5.232 -1.497 1.00 70.14 C ATOM 707 CD2 LEU A 43 5.293 -2.793 -1.992 1.00 44.11 C ATOM 0 H LEU A 43 2.989 -3.694 -5.551 1.00 41.53 H new ATOM 0 HA LEU A 43 5.221 -4.871 -4.090 1.00 75.52 H new ATOM 0 HB2 LEU A 43 3.185 -3.122 -3.459 1.00 61.33 H new ATOM 0 HB3 LEU A 43 2.551 -4.633 -2.839 1.00 61.33 H new ATOM 0 HG LEU A 43 3.635 -3.704 -1.007 1.00 42.32 H new ATOM 0 HD11 LEU A 43 5.629 -5.091 -0.591 1.00 70.14 H new ATOM 0 HD12 LEU A 43 4.314 -6.030 -1.338 1.00 70.14 H new ATOM 0 HD13 LEU A 43 5.699 -5.500 -2.322 1.00 70.14 H new ATOM 0 HD21 LEU A 43 5.879 -2.687 -1.079 1.00 44.11 H new ATOM 0 HD22 LEU A 43 5.960 -3.000 -2.829 1.00 44.11 H new ATOM 0 HD23 LEU A 43 4.748 -1.869 -2.182 1.00 44.11 H new ATOM 719 N ALA A 44 2.860 -6.636 -5.302 1.00 12.31 N ATOM 720 CA ALA A 44 2.326 -7.983 -5.452 1.00 14.12 C ATOM 721 C ALA A 44 3.446 -9.015 -5.517 1.00 40.44 C ATOM 722 O ALA A 44 3.210 -10.214 -5.367 1.00 63.15 O ATOM 723 CB ALA A 44 1.453 -8.069 -6.695 1.00 54.02 C ATOM 0 H ALA A 44 2.577 -5.986 -6.035 1.00 12.31 H new ATOM 0 HA ALA A 44 1.716 -8.204 -4.576 1.00 14.12 H new ATOM 0 HB1 ALA A 44 1.061 -9.081 -6.795 1.00 54.02 H new ATOM 0 HB2 ALA A 44 0.625 -7.366 -6.607 1.00 54.02 H new ATOM 0 HB3 ALA A 44 2.047 -7.822 -7.575 1.00 54.02 H new ATOM 729 N LYS A 45 4.667 -8.542 -5.744 1.00 35.22 N ATOM 730 CA LYS A 45 5.825 -9.422 -5.829 1.00 23.40 C ATOM 731 C LYS A 45 5.950 -10.281 -4.574 1.00 3.13 C ATOM 732 O LYS A 45 6.534 -11.364 -4.608 1.00 12.32 O ATOM 733 CB LYS A 45 7.102 -8.602 -6.027 1.00 1.21 C ATOM 734 CG LYS A 45 7.375 -7.619 -4.901 1.00 33.21 C ATOM 735 CD LYS A 45 8.829 -7.178 -4.887 1.00 13.43 C ATOM 736 CE LYS A 45 9.109 -6.147 -5.969 1.00 35.02 C ATOM 737 NZ LYS A 45 9.759 -4.926 -5.418 1.00 23.23 N ATOM 0 H LYS A 45 4.879 -7.553 -5.872 1.00 35.22 H new ATOM 0 HA LYS A 45 5.686 -10.080 -6.687 1.00 23.40 H new ATOM 0 HB2 LYS A 45 7.949 -9.281 -6.118 1.00 1.21 H new ATOM 0 HB3 LYS A 45 7.030 -8.054 -6.967 1.00 1.21 H new ATOM 0 HG2 LYS A 45 6.730 -6.747 -5.013 1.00 33.21 H new ATOM 0 HG3 LYS A 45 7.124 -8.080 -3.946 1.00 33.21 H new ATOM 0 HD2 LYS A 45 9.074 -6.758 -3.911 1.00 13.43 H new ATOM 0 HD3 LYS A 45 9.474 -8.044 -5.033 1.00 13.43 H new ATOM 0 HE2 LYS A 45 9.751 -6.587 -6.732 1.00 35.02 H new ATOM 0 HE3 LYS A 45 8.175 -5.871 -6.458 1.00 35.02 H new ATOM 0 HZ1 LYS A 45 9.933 -4.248 -6.187 1.00 23.23 H new ATOM 0 HZ2 LYS A 45 9.136 -4.491 -4.708 1.00 23.23 H new ATOM 0 HZ3 LYS A 45 10.663 -5.185 -4.973 1.00 23.23 H new ATOM 751 N GLU A 46 5.397 -9.790 -3.469 1.00 61.42 N ATOM 752 CA GLU A 46 5.446 -10.514 -2.205 1.00 2.51 C ATOM 753 C GLU A 46 4.089 -11.128 -1.875 1.00 55.21 C ATOM 754 O GLU A 46 3.747 -11.315 -0.709 1.00 60.20 O ATOM 755 CB GLU A 46 5.884 -9.580 -1.074 1.00 53.31 C ATOM 756 CG GLU A 46 7.379 -9.310 -1.052 1.00 24.44 C ATOM 757 CD GLU A 46 7.963 -9.382 0.346 1.00 44.02 C ATOM 758 OE1 GLU A 46 7.225 -9.100 1.313 1.00 55.10 O ATOM 759 OE2 GLU A 46 9.159 -9.719 0.474 1.00 71.15 O ATOM 0 H GLU A 46 4.910 -8.895 -3.424 1.00 61.42 H new ATOM 0 HA GLU A 46 6.174 -11.319 -2.305 1.00 2.51 H new ATOM 0 HB2 GLU A 46 5.354 -8.633 -1.171 1.00 53.31 H new ATOM 0 HB3 GLU A 46 5.588 -10.015 -0.120 1.00 53.31 H new ATOM 0 HG2 GLU A 46 7.885 -10.034 -1.691 1.00 24.44 H new ATOM 0 HG3 GLU A 46 7.573 -8.323 -1.473 1.00 24.44 H new ATOM 766 N GLY A 47 3.319 -11.438 -2.914 1.00 34.31 N ATOM 767 CA GLY A 47 2.008 -12.027 -2.715 1.00 15.12 C ATOM 768 C GLY A 47 1.146 -11.217 -1.767 1.00 11.41 C ATOM 769 O GLY A 47 0.563 -11.759 -0.828 1.00 72.43 O ATOM 0 H GLY A 47 3.580 -11.292 -3.889 1.00 34.31 H new ATOM 0 HA2 GLY A 47 1.502 -12.114 -3.677 1.00 15.12 H new ATOM 0 HA3 GLY A 47 2.123 -13.038 -2.323 1.00 15.12 H new ATOM 773 N VAL A 48 1.065 -9.913 -2.012 1.00 12.52 N ATOM 774 CA VAL A 48 0.269 -9.025 -1.173 1.00 14.24 C ATOM 775 C VAL A 48 -1.221 -9.297 -1.343 1.00 15.21 C ATOM 776 O VAL A 48 -1.683 -9.618 -2.438 1.00 53.02 O ATOM 777 CB VAL A 48 0.550 -7.545 -1.495 1.00 75.01 C ATOM 778 CG1 VAL A 48 -0.334 -6.638 -0.653 1.00 11.34 C ATOM 779 CG2 VAL A 48 2.020 -7.222 -1.277 1.00 70.44 C ATOM 0 H VAL A 48 1.541 -9.448 -2.785 1.00 12.52 H new ATOM 0 HA VAL A 48 0.556 -9.225 -0.141 1.00 14.24 H new ATOM 0 HB VAL A 48 0.315 -7.369 -2.545 1.00 75.01 H new ATOM 0 HG11 VAL A 48 -0.121 -5.597 -0.894 1.00 11.34 H new ATOM 0 HG12 VAL A 48 -1.382 -6.853 -0.864 1.00 11.34 H new ATOM 0 HG13 VAL A 48 -0.134 -6.814 0.404 1.00 11.34 H new ATOM 0 HG21 VAL A 48 2.200 -6.172 -1.509 1.00 70.44 H new ATOM 0 HG22 VAL A 48 2.284 -7.414 -0.237 1.00 70.44 H new ATOM 0 HG23 VAL A 48 2.630 -7.848 -1.928 1.00 70.44 H new ATOM 789 N VAL A 49 -1.970 -9.166 -0.253 1.00 74.21 N ATOM 790 CA VAL A 49 -3.410 -9.396 -0.282 1.00 24.25 C ATOM 791 C VAL A 49 -4.133 -8.268 -1.009 1.00 23.11 C ATOM 792 O VAL A 49 -3.522 -7.267 -1.384 1.00 22.02 O ATOM 793 CB VAL A 49 -3.986 -9.528 1.141 1.00 42.34 C ATOM 794 CG1 VAL A 49 -3.498 -10.809 1.798 1.00 30.35 C ATOM 795 CG2 VAL A 49 -3.615 -8.314 1.979 1.00 50.40 C ATOM 0 H VAL A 49 -1.604 -8.902 0.662 1.00 74.21 H new ATOM 0 HA VAL A 49 -3.570 -10.331 -0.819 1.00 24.25 H new ATOM 0 HB VAL A 49 -5.073 -9.576 1.072 1.00 42.34 H new ATOM 0 HG11 VAL A 49 -3.915 -10.885 2.802 1.00 30.35 H new ATOM 0 HG12 VAL A 49 -3.819 -11.666 1.206 1.00 30.35 H new ATOM 0 HG13 VAL A 49 -2.410 -10.796 1.857 1.00 30.35 H new ATOM 0 HG21 VAL A 49 -4.030 -8.423 2.981 1.00 50.40 H new ATOM 0 HG22 VAL A 49 -2.530 -8.233 2.042 1.00 50.40 H new ATOM 0 HG23 VAL A 49 -4.019 -7.414 1.515 1.00 50.40 H new ATOM 805 N GLU A 50 -5.436 -8.436 -1.203 1.00 32.12 N ATOM 806 CA GLU A 50 -6.242 -7.431 -1.886 1.00 1.31 C ATOM 807 C GLU A 50 -5.965 -6.039 -1.326 1.00 13.55 C ATOM 808 O GLU A 50 -5.485 -5.878 -0.203 1.00 3.23 O ATOM 809 CB GLU A 50 -7.731 -7.759 -1.750 1.00 61.14 C ATOM 810 CG GLU A 50 -8.124 -8.242 -0.364 1.00 74.14 C ATOM 811 CD GLU A 50 -9.561 -7.907 -0.016 1.00 72.22 C ATOM 812 OE1 GLU A 50 -10.396 -7.844 -0.944 1.00 44.31 O ATOM 813 OE2 GLU A 50 -9.852 -7.710 1.181 1.00 51.50 O ATOM 0 H GLU A 50 -5.957 -9.258 -0.897 1.00 32.12 H new ATOM 0 HA GLU A 50 -5.970 -7.441 -2.941 1.00 1.31 H new ATOM 0 HB2 GLU A 50 -8.314 -6.871 -1.995 1.00 61.14 H new ATOM 0 HB3 GLU A 50 -7.994 -8.524 -2.480 1.00 61.14 H new ATOM 0 HG2 GLU A 50 -7.982 -9.321 -0.305 1.00 74.14 H new ATOM 0 HG3 GLU A 50 -7.461 -7.793 0.375 1.00 74.14 H new ATOM 820 N PRO A 51 -6.273 -5.007 -2.125 1.00 14.21 N ATOM 821 CA PRO A 51 -6.066 -3.610 -1.731 1.00 15.02 C ATOM 822 C PRO A 51 -7.025 -3.171 -0.630 1.00 1.42 C ATOM 823 O PRO A 51 -6.768 -2.196 0.077 1.00 23.21 O ATOM 824 CB PRO A 51 -6.340 -2.833 -3.020 1.00 53.15 C ATOM 825 CG PRO A 51 -7.250 -3.713 -3.807 1.00 63.21 C ATOM 826 CD PRO A 51 -6.849 -5.124 -3.475 1.00 31.42 C ATOM 0 HA PRO A 51 -5.069 -3.445 -1.322 1.00 15.02 H new ATOM 0 HB2 PRO A 51 -6.805 -1.870 -2.810 1.00 53.15 H new ATOM 0 HB3 PRO A 51 -5.417 -2.630 -3.564 1.00 53.15 H new ATOM 0 HG2 PRO A 51 -8.292 -3.531 -3.545 1.00 63.21 H new ATOM 0 HG3 PRO A 51 -7.152 -3.520 -4.875 1.00 63.21 H new ATOM 0 HD2 PRO A 51 -7.705 -5.799 -3.489 1.00 31.42 H new ATOM 0 HD3 PRO A 51 -6.123 -5.514 -4.189 1.00 31.42 H new ATOM 834 N GLU A 52 -8.131 -3.895 -0.489 1.00 62.04 N ATOM 835 CA GLU A 52 -9.128 -3.577 0.526 1.00 12.01 C ATOM 836 C GLU A 52 -8.480 -3.446 1.902 1.00 42.12 C ATOM 837 O GLU A 52 -8.884 -2.613 2.714 1.00 42.23 O ATOM 838 CB GLU A 52 -10.213 -4.655 0.562 1.00 21.42 C ATOM 839 CG GLU A 52 -11.609 -4.124 0.286 1.00 52.22 C ATOM 840 CD GLU A 52 -12.697 -5.065 0.764 1.00 1.30 C ATOM 841 OE1 GLU A 52 -12.361 -6.180 1.212 1.00 21.35 O ATOM 842 OE2 GLU A 52 -13.885 -4.685 0.690 1.00 30.53 O ATOM 0 H GLU A 52 -8.359 -4.705 -1.065 1.00 62.04 H new ATOM 0 HA GLU A 52 -9.584 -2.622 0.265 1.00 12.01 H new ATOM 0 HB2 GLU A 52 -9.974 -5.424 -0.173 1.00 21.42 H new ATOM 0 HB3 GLU A 52 -10.203 -5.136 1.540 1.00 21.42 H new ATOM 0 HG2 GLU A 52 -11.729 -3.158 0.775 1.00 52.22 H new ATOM 0 HG3 GLU A 52 -11.724 -3.956 -0.785 1.00 52.22 H new ATOM 849 N VAL A 53 -7.474 -4.275 2.157 1.00 24.40 N ATOM 850 CA VAL A 53 -6.769 -4.253 3.433 1.00 2.33 C ATOM 851 C VAL A 53 -5.628 -3.242 3.413 1.00 0.44 C ATOM 852 O VAL A 53 -5.453 -2.470 4.356 1.00 43.35 O ATOM 853 CB VAL A 53 -6.204 -5.642 3.787 1.00 3.32 C ATOM 854 CG1 VAL A 53 -5.572 -5.624 5.171 1.00 71.35 C ATOM 855 CG2 VAL A 53 -7.295 -6.698 3.702 1.00 2.44 C ATOM 0 H VAL A 53 -7.128 -4.971 1.496 1.00 24.40 H new ATOM 0 HA VAL A 53 -7.496 -3.961 4.191 1.00 2.33 H new ATOM 0 HB VAL A 53 -5.429 -5.896 3.064 1.00 3.32 H new ATOM 0 HG11 VAL A 53 -5.178 -6.613 5.404 1.00 71.35 H new ATOM 0 HG12 VAL A 53 -4.760 -4.897 5.191 1.00 71.35 H new ATOM 0 HG13 VAL A 53 -6.324 -5.349 5.911 1.00 71.35 H new ATOM 0 HG21 VAL A 53 -6.878 -7.673 3.955 1.00 2.44 H new ATOM 0 HG22 VAL A 53 -8.094 -6.452 4.401 1.00 2.44 H new ATOM 0 HG23 VAL A 53 -7.695 -6.727 2.689 1.00 2.44 H new ATOM 865 N VAL A 54 -4.854 -3.252 2.332 1.00 15.13 N ATOM 866 CA VAL A 54 -3.730 -2.335 2.188 1.00 0.21 C ATOM 867 C VAL A 54 -4.161 -0.894 2.439 1.00 21.53 C ATOM 868 O VAL A 54 -3.372 -0.071 2.902 1.00 43.32 O ATOM 869 CB VAL A 54 -3.101 -2.434 0.785 1.00 23.04 C ATOM 870 CG1 VAL A 54 -1.932 -1.470 0.655 1.00 50.42 C ATOM 871 CG2 VAL A 54 -2.660 -3.862 0.500 1.00 5.15 C ATOM 0 H VAL A 54 -4.985 -3.885 1.543 1.00 15.13 H new ATOM 0 HA VAL A 54 -2.988 -2.624 2.932 1.00 0.21 H new ATOM 0 HB VAL A 54 -3.853 -2.156 0.047 1.00 23.04 H new ATOM 0 HG11 VAL A 54 -1.500 -1.554 -0.342 1.00 50.42 H new ATOM 0 HG12 VAL A 54 -2.282 -0.450 0.814 1.00 50.42 H new ATOM 0 HG13 VAL A 54 -1.175 -1.714 1.400 1.00 50.42 H new ATOM 0 HG21 VAL A 54 -2.218 -3.915 -0.495 1.00 5.15 H new ATOM 0 HG22 VAL A 54 -1.923 -4.170 1.241 1.00 5.15 H new ATOM 0 HG23 VAL A 54 -3.523 -4.526 0.549 1.00 5.15 H new ATOM 881 N ARG A 55 -5.419 -0.596 2.130 1.00 22.12 N ATOM 882 CA ARG A 55 -5.955 0.746 2.321 1.00 31.04 C ATOM 883 C ARG A 55 -5.963 1.122 3.800 1.00 12.42 C ATOM 884 O ARG A 55 -5.649 2.256 4.162 1.00 41.33 O ATOM 885 CB ARG A 55 -7.373 0.837 1.754 1.00 22.10 C ATOM 886 CG ARG A 55 -7.951 2.242 1.782 1.00 40.33 C ATOM 887 CD ARG A 55 -9.362 2.276 1.216 1.00 52.50 C ATOM 888 NE ARG A 55 -10.331 1.675 2.129 1.00 72.44 N ATOM 889 CZ ARG A 55 -11.611 1.491 1.823 1.00 1.14 C ATOM 890 NH1 ARG A 55 -12.073 1.860 0.638 1.00 70.32 N ATOM 891 NH2 ARG A 55 -12.432 0.936 2.707 1.00 42.44 N ATOM 0 H ARG A 55 -6.086 -1.266 1.746 1.00 22.12 H new ATOM 0 HA ARG A 55 -5.312 1.447 1.788 1.00 31.04 H new ATOM 0 HB2 ARG A 55 -7.368 0.476 0.726 1.00 22.10 H new ATOM 0 HB3 ARG A 55 -8.025 0.173 2.322 1.00 22.10 H new ATOM 0 HG2 ARG A 55 -7.960 2.612 2.807 1.00 40.33 H new ATOM 0 HG3 ARG A 55 -7.311 2.911 1.207 1.00 40.33 H new ATOM 0 HD2 ARG A 55 -9.647 3.308 1.013 1.00 52.50 H new ATOM 0 HD3 ARG A 55 -9.384 1.746 0.264 1.00 52.50 H new ATOM 0 HE ARG A 55 -10.008 1.381 3.051 1.00 72.44 H new ATOM 0 HH11 ARG A 55 -11.446 2.287 -0.044 1.00 70.32 H new ATOM 0 HH12 ARG A 55 -13.056 1.717 0.407 1.00 70.32 H new ATOM 0 HH21 ARG A 55 -12.080 0.651 3.621 1.00 42.44 H new ATOM 0 HH22 ARG A 55 -13.414 0.795 2.472 1.00 42.44 H new ATOM 905 N GLN A 56 -6.323 0.165 4.648 1.00 22.15 N ATOM 906 CA GLN A 56 -6.373 0.398 6.087 1.00 63.24 C ATOM 907 C GLN A 56 -4.998 0.202 6.717 1.00 63.42 C ATOM 908 O GLN A 56 -4.578 0.984 7.570 1.00 50.25 O ATOM 909 CB GLN A 56 -7.386 -0.543 6.742 1.00 2.43 C ATOM 910 CG GLN A 56 -7.596 -0.272 8.223 1.00 62.01 C ATOM 911 CD GLN A 56 -7.785 1.201 8.527 1.00 61.13 C ATOM 912 OE1 GLN A 56 -8.685 1.847 7.990 1.00 33.34 O ATOM 913 NE2 GLN A 56 -6.934 1.741 9.391 1.00 23.24 N ATOM 0 H GLN A 56 -6.584 -0.779 4.364 1.00 22.15 H new ATOM 0 HA GLN A 56 -6.685 1.429 6.253 1.00 63.24 H new ATOM 0 HB2 GLN A 56 -8.341 -0.452 6.225 1.00 2.43 H new ATOM 0 HB3 GLN A 56 -7.050 -1.572 6.613 1.00 2.43 H new ATOM 0 HG2 GLN A 56 -8.469 -0.825 8.569 1.00 62.01 H new ATOM 0 HG3 GLN A 56 -6.739 -0.647 8.782 1.00 62.01 H new ATOM 0 HE21 GLN A 56 -6.203 1.168 9.812 1.00 23.24 H new ATOM 0 HE22 GLN A 56 -7.011 2.729 9.633 1.00 23.24 H new ATOM 922 N ILE A 57 -4.301 -0.847 6.292 1.00 32.23 N ATOM 923 CA ILE A 57 -2.973 -1.144 6.815 1.00 72.30 C ATOM 924 C ILE A 57 -2.011 0.012 6.562 1.00 72.30 C ATOM 925 O ILE A 57 -1.212 0.369 7.427 1.00 21.53 O ATOM 926 CB ILE A 57 -2.395 -2.426 6.186 1.00 3.24 C ATOM 927 CG1 ILE A 57 -3.309 -3.618 6.473 1.00 32.21 C ATOM 928 CG2 ILE A 57 -0.992 -2.689 6.714 1.00 13.22 C ATOM 929 CD1 ILE A 57 -3.413 -3.961 7.943 1.00 72.32 C ATOM 0 H ILE A 57 -4.634 -1.505 5.587 1.00 32.23 H new ATOM 0 HA ILE A 57 -3.082 -1.293 7.889 1.00 72.30 H new ATOM 0 HB ILE A 57 -2.337 -2.288 5.106 1.00 3.24 H new ATOM 0 HG12 ILE A 57 -4.305 -3.402 6.087 1.00 32.21 H new ATOM 0 HG13 ILE A 57 -2.939 -4.488 5.931 1.00 32.21 H new ATOM 0 HG21 ILE A 57 -0.597 -3.598 6.260 1.00 13.22 H new ATOM 0 HG22 ILE A 57 -0.345 -1.848 6.464 1.00 13.22 H new ATOM 0 HG23 ILE A 57 -1.027 -2.810 7.797 1.00 13.22 H new ATOM 0 HD11 ILE A 57 -4.077 -4.816 8.071 1.00 72.32 H new ATOM 0 HD12 ILE A 57 -2.424 -4.209 8.330 1.00 72.32 H new ATOM 0 HD13 ILE A 57 -3.812 -3.106 8.489 1.00 72.32 H new ATOM 941 N ALA A 58 -2.095 0.594 5.370 1.00 52.13 N ATOM 942 CA ALA A 58 -1.235 1.712 5.004 1.00 73.03 C ATOM 943 C ALA A 58 -1.467 2.907 5.923 1.00 22.50 C ATOM 944 O ALA A 58 -0.626 3.801 6.018 1.00 1.01 O ATOM 945 CB ALA A 58 -1.471 2.107 3.553 1.00 13.05 C ATOM 0 H ALA A 58 -2.750 0.309 4.642 1.00 52.13 H new ATOM 0 HA ALA A 58 -0.199 1.394 5.119 1.00 73.03 H new ATOM 0 HB1 ALA A 58 -0.822 2.943 3.293 1.00 13.05 H new ATOM 0 HB2 ALA A 58 -1.248 1.260 2.904 1.00 13.05 H new ATOM 0 HB3 ALA A 58 -2.512 2.401 3.421 1.00 13.05 H new ATOM 951 N ILE A 59 -2.612 2.916 6.598 1.00 71.23 N ATOM 952 CA ILE A 59 -2.953 4.001 7.509 1.00 31.12 C ATOM 953 C ILE A 59 -2.312 3.791 8.877 1.00 0.53 C ATOM 954 O ILE A 59 -1.751 4.719 9.462 1.00 53.32 O ATOM 955 CB ILE A 59 -4.477 4.130 7.684 1.00 12.40 C ATOM 956 CG1 ILE A 59 -5.147 4.389 6.333 1.00 14.31 C ATOM 957 CG2 ILE A 59 -4.805 5.246 8.666 1.00 4.13 C ATOM 958 CD1 ILE A 59 -6.627 4.074 6.322 1.00 63.10 C ATOM 0 H ILE A 59 -3.319 2.184 6.531 1.00 71.23 H new ATOM 0 HA ILE A 59 -2.567 4.919 7.066 1.00 31.12 H new ATOM 0 HB ILE A 59 -4.862 3.193 8.086 1.00 12.40 H new ATOM 0 HG12 ILE A 59 -5.004 5.435 6.060 1.00 14.31 H new ATOM 0 HG13 ILE A 59 -4.651 3.790 5.570 1.00 14.31 H new ATOM 0 HG21 ILE A 59 -5.886 5.325 8.779 1.00 4.13 H new ATOM 0 HG22 ILE A 59 -4.354 5.024 9.633 1.00 4.13 H new ATOM 0 HG23 ILE A 59 -4.410 6.190 8.290 1.00 4.13 H new ATOM 0 HD11 ILE A 59 -7.036 4.281 5.333 1.00 63.10 H new ATOM 0 HD12 ILE A 59 -6.777 3.022 6.563 1.00 63.10 H new ATOM 0 HD13 ILE A 59 -7.136 4.692 7.062 1.00 63.10 H new ATOM 970 N THR A 60 -2.395 2.565 9.383 1.00 14.13 N ATOM 971 CA THR A 60 -1.824 2.232 10.681 1.00 51.52 C ATOM 972 C THR A 60 -0.354 1.849 10.553 1.00 53.43 C ATOM 973 O THR A 60 0.317 1.583 11.549 1.00 23.45 O ATOM 974 CB THR A 60 -2.588 1.075 11.352 1.00 5.33 C ATOM 975 OG1 THR A 60 -2.129 0.900 12.697 1.00 3.12 O ATOM 976 CG2 THR A 60 -2.400 -0.219 10.575 1.00 64.01 C ATOM 0 H THR A 60 -2.853 1.785 8.912 1.00 14.13 H new ATOM 0 HA THR A 60 -1.912 3.123 11.302 1.00 51.52 H new ATOM 0 HB THR A 60 -3.649 1.325 11.360 1.00 5.33 H new ATOM 0 HG1 THR A 60 -1.162 1.056 12.736 1.00 3.12 H new ATOM 0 HG21 THR A 60 -2.948 -1.022 11.067 1.00 64.01 H new ATOM 0 HG22 THR A 60 -2.776 -0.092 9.560 1.00 64.01 H new ATOM 0 HG23 THR A 60 -1.340 -0.472 10.540 1.00 64.01 H new ATOM 984 N ARG A 61 0.140 1.824 9.319 1.00 3.22 N ATOM 985 CA ARG A 61 1.531 1.473 9.060 1.00 3.55 C ATOM 986 C ARG A 61 2.285 2.649 8.446 1.00 55.10 C ATOM 987 O ARG A 61 3.358 3.027 8.915 1.00 63.20 O ATOM 988 CB ARG A 61 1.609 0.261 8.130 1.00 43.50 C ATOM 989 CG ARG A 61 1.021 -1.006 8.730 1.00 64.14 C ATOM 990 CD ARG A 61 1.768 -1.426 9.987 1.00 65.03 C ATOM 991 NE ARG A 61 1.920 -2.876 10.073 1.00 4.12 N ATOM 992 CZ ARG A 61 0.924 -3.702 10.370 1.00 74.53 C ATOM 993 NH1 ARG A 61 -0.291 -3.225 10.606 1.00 75.44 N ATOM 994 NH2 ARG A 61 1.140 -5.010 10.430 1.00 23.40 N ATOM 0 H ARG A 61 -0.403 2.043 8.483 1.00 3.22 H new ATOM 0 HA ARG A 61 1.999 1.222 10.012 1.00 3.55 H new ATOM 0 HB2 ARG A 61 1.085 0.491 7.203 1.00 43.50 H new ATOM 0 HB3 ARG A 61 2.652 0.080 7.870 1.00 43.50 H new ATOM 0 HG2 ARG A 61 -0.030 -0.844 8.967 1.00 64.14 H new ATOM 0 HG3 ARG A 61 1.061 -1.810 7.996 1.00 64.14 H new ATOM 0 HD2 ARG A 61 2.752 -0.957 9.998 1.00 65.03 H new ATOM 0 HD3 ARG A 61 1.233 -1.065 10.865 1.00 65.03 H new ATOM 0 HE ARG A 61 2.841 -3.276 9.895 1.00 4.12 H new ATOM 0 HH11 ARG A 61 -0.462 -2.221 10.560 1.00 75.44 H new ATOM 0 HH12 ARG A 61 -1.054 -3.863 10.834 1.00 75.44 H new ATOM 0 HH21 ARG A 61 2.072 -5.382 10.248 1.00 23.40 H new ATOM 0 HH22 ARG A 61 0.374 -5.643 10.658 1.00 23.40 H new ATOM 1008 N LEU A 62 1.713 3.224 7.393 1.00 41.42 N ATOM 1009 CA LEU A 62 2.330 4.357 6.712 1.00 42.51 C ATOM 1010 C LEU A 62 1.719 5.673 7.183 1.00 2.42 C ATOM 1011 O LEU A 62 1.907 6.717 6.558 1.00 74.25 O ATOM 1012 CB LEU A 62 2.165 4.220 5.197 1.00 23.24 C ATOM 1013 CG LEU A 62 3.423 3.829 4.419 1.00 33.14 C ATOM 1014 CD1 LEU A 62 3.091 3.590 2.954 1.00 14.51 C ATOM 1015 CD2 LEU A 62 4.491 4.904 4.557 1.00 34.21 C ATOM 0 H LEU A 62 0.824 2.924 6.993 1.00 41.42 H new ATOM 0 HA LEU A 62 3.392 4.361 6.957 1.00 42.51 H new ATOM 0 HB2 LEU A 62 1.394 3.475 5.001 1.00 23.24 H new ATOM 0 HB3 LEU A 62 1.799 5.168 4.804 1.00 23.24 H new ATOM 0 HG LEU A 62 3.813 2.902 4.838 1.00 33.14 H new ATOM 0 HD11 LEU A 62 3.998 3.313 2.416 1.00 14.51 H new ATOM 0 HD12 LEU A 62 2.361 2.785 2.873 1.00 14.51 H new ATOM 0 HD13 LEU A 62 2.677 4.501 2.522 1.00 14.51 H new ATOM 0 HD21 LEU A 62 5.379 4.609 3.997 1.00 34.21 H new ATOM 0 HD22 LEU A 62 4.111 5.847 4.164 1.00 34.21 H new ATOM 0 HD23 LEU A 62 4.750 5.027 5.609 1.00 34.21 H new ATOM 1027 N LYS A 63 0.989 5.618 8.292 1.00 51.10 N ATOM 1028 CA LYS A 63 0.353 6.805 8.851 1.00 22.21 C ATOM 1029 C LYS A 63 -0.459 7.538 7.788 1.00 2.13 C ATOM 1030 O LYS A 63 -0.613 8.759 7.844 1.00 22.44 O ATOM 1031 CB LYS A 63 1.407 7.744 9.441 1.00 45.12 C ATOM 1032 CG LYS A 63 1.861 7.350 10.836 1.00 50.13 C ATOM 1033 CD LYS A 63 0.841 7.755 11.888 1.00 65.43 C ATOM 1034 CE LYS A 63 1.459 8.658 12.944 1.00 51.31 C ATOM 1035 NZ LYS A 63 2.384 7.912 13.841 1.00 21.22 N ATOM 0 H LYS A 63 0.823 4.762 8.822 1.00 51.10 H new ATOM 0 HA LYS A 63 -0.323 6.485 9.644 1.00 22.21 H new ATOM 0 HB2 LYS A 63 2.273 7.766 8.779 1.00 45.12 H new ATOM 0 HB3 LYS A 63 1.003 8.756 9.472 1.00 45.12 H new ATOM 0 HG2 LYS A 63 2.020 6.272 10.877 1.00 50.13 H new ATOM 0 HG3 LYS A 63 2.819 7.822 11.055 1.00 50.13 H new ATOM 0 HD2 LYS A 63 0.008 8.270 11.410 1.00 65.43 H new ATOM 0 HD3 LYS A 63 0.433 6.863 12.364 1.00 65.43 H new ATOM 0 HE2 LYS A 63 2.001 9.468 12.456 1.00 51.31 H new ATOM 0 HE3 LYS A 63 0.668 9.116 13.538 1.00 51.31 H new ATOM 0 HZ1 LYS A 63 2.784 8.563 14.546 1.00 21.22 H new ATOM 0 HZ2 LYS A 63 1.862 7.155 14.326 1.00 21.22 H new ATOM 0 HZ3 LYS A 63 3.153 7.496 13.278 1.00 21.22 H new ATOM 1049 N TRP A 64 -0.976 6.787 6.823 1.00 44.41 N ATOM 1050 CA TRP A 64 -1.773 7.367 5.748 1.00 72.30 C ATOM 1051 C TRP A 64 -3.096 7.908 6.282 1.00 64.22 C ATOM 1052 O TRP A 64 -3.557 7.504 7.350 1.00 63.32 O ATOM 1053 CB TRP A 64 -2.036 6.324 4.660 1.00 13.15 C ATOM 1054 CG TRP A 64 -2.624 6.904 3.410 1.00 14.41 C ATOM 1055 CD1 TRP A 64 -2.141 7.959 2.690 1.00 14.42 C ATOM 1056 CD2 TRP A 64 -3.808 6.464 2.735 1.00 64.40 C ATOM 1057 NE1 TRP A 64 -2.952 8.201 1.608 1.00 75.34 N ATOM 1058 CE2 TRP A 64 -3.981 7.297 1.612 1.00 34.33 C ATOM 1059 CE3 TRP A 64 -4.736 5.446 2.968 1.00 32.33 C ATOM 1060 CZ2 TRP A 64 -5.045 7.141 0.727 1.00 3.53 C ATOM 1061 CZ3 TRP A 64 -5.792 5.293 2.090 1.00 24.30 C ATOM 1062 CH2 TRP A 64 -5.939 6.136 0.980 1.00 3.41 C ATOM 0 H TRP A 64 -0.858 5.776 6.762 1.00 44.41 H new ATOM 0 HA TRP A 64 -1.210 8.196 5.318 1.00 72.30 H new ATOM 0 HB2 TRP A 64 -1.100 5.823 4.414 1.00 13.15 H new ATOM 0 HB3 TRP A 64 -2.712 5.564 5.052 1.00 13.15 H new ATOM 0 HD1 TRP A 64 -1.252 8.521 2.935 1.00 14.42 H new ATOM 0 HE1 TRP A 64 -2.811 8.935 0.914 1.00 75.34 H new ATOM 0 HE3 TRP A 64 -4.630 4.790 3.819 1.00 32.33 H new ATOM 0 HZ2 TRP A 64 -5.161 7.790 -0.128 1.00 3.53 H new ATOM 0 HZ3 TRP A 64 -6.516 4.511 2.262 1.00 24.30 H new ATOM 0 HH2 TRP A 64 -6.774 5.990 0.311 1.00 3.41 H new ATOM 1073 N VAL A 65 -3.701 8.823 5.533 1.00 52.13 N ATOM 1074 CA VAL A 65 -4.971 9.418 5.930 1.00 10.00 C ATOM 1075 C VAL A 65 -5.799 9.812 4.713 1.00 71.34 C ATOM 1076 O VAL A 65 -5.396 10.669 3.926 1.00 31.42 O ATOM 1077 CB VAL A 65 -4.756 10.660 6.815 1.00 54.20 C ATOM 1078 CG1 VAL A 65 -4.311 10.252 8.210 1.00 14.22 C ATOM 1079 CG2 VAL A 65 -3.745 11.600 6.176 1.00 23.43 C ATOM 0 H VAL A 65 -3.332 9.169 4.647 1.00 52.13 H new ATOM 0 HA VAL A 65 -5.509 8.662 6.502 1.00 10.00 H new ATOM 0 HB VAL A 65 -5.704 11.190 6.904 1.00 54.20 H new ATOM 0 HG11 VAL A 65 -4.164 11.143 8.820 1.00 14.22 H new ATOM 0 HG12 VAL A 65 -5.075 9.622 8.666 1.00 14.22 H new ATOM 0 HG13 VAL A 65 -3.374 9.698 8.146 1.00 14.22 H new ATOM 0 HG21 VAL A 65 -3.605 12.472 6.814 1.00 23.43 H new ATOM 0 HG22 VAL A 65 -2.793 11.083 6.055 1.00 23.43 H new ATOM 0 HG23 VAL A 65 -4.111 11.920 5.200 1.00 23.43 H new ATOM 1089 N GLU A 66 -6.959 9.180 4.562 1.00 10.30 N ATOM 1090 CA GLU A 66 -7.845 9.465 3.439 1.00 65.15 C ATOM 1091 C GLU A 66 -8.109 10.963 3.321 1.00 23.32 C ATOM 1092 O GLU A 66 -7.989 11.718 4.286 1.00 21.11 O ATOM 1093 CB GLU A 66 -9.167 8.713 3.599 1.00 24.01 C ATOM 1094 CG GLU A 66 -9.741 8.784 5.004 1.00 42.12 C ATOM 1095 CD GLU A 66 -11.246 8.977 5.010 1.00 5.31 C ATOM 1096 OE1 GLU A 66 -11.915 8.445 4.100 1.00 41.15 O ATOM 1097 OE2 GLU A 66 -11.752 9.660 5.925 1.00 74.51 O ATOM 0 H GLU A 66 -7.307 8.467 5.203 1.00 10.30 H new ATOM 0 HA GLU A 66 -7.353 9.128 2.527 1.00 65.15 H new ATOM 0 HB2 GLU A 66 -9.895 9.121 2.897 1.00 24.01 H new ATOM 0 HB3 GLU A 66 -9.016 7.668 3.330 1.00 24.01 H new ATOM 0 HG2 GLU A 66 -9.494 7.868 5.540 1.00 42.12 H new ATOM 0 HG3 GLU A 66 -9.271 9.606 5.544 1.00 42.12 H new ATOM 1104 N PRO A 67 -8.478 11.405 2.110 1.00 15.32 N ATOM 1105 CA PRO A 67 -8.768 12.815 1.836 1.00 11.20 C ATOM 1106 C PRO A 67 -10.055 13.284 2.508 1.00 61.40 C ATOM 1107 O PRO A 67 -11.140 13.171 1.938 1.00 11.13 O ATOM 1108 CB PRO A 67 -8.914 12.859 0.313 1.00 40.43 C ATOM 1109 CG PRO A 67 -9.319 11.477 -0.068 1.00 70.13 C ATOM 1110 CD PRO A 67 -8.642 10.562 0.915 1.00 71.34 C ATOM 0 HA PRO A 67 -7.989 13.473 2.222 1.00 11.20 H new ATOM 0 HB2 PRO A 67 -9.663 13.590 0.008 1.00 40.43 H new ATOM 0 HB3 PRO A 67 -7.977 13.144 -0.167 1.00 40.43 H new ATOM 0 HG2 PRO A 67 -10.402 11.362 -0.026 1.00 70.13 H new ATOM 0 HG3 PRO A 67 -9.013 11.248 -1.089 1.00 70.13 H new ATOM 0 HD2 PRO A 67 -9.247 9.680 1.126 1.00 71.34 H new ATOM 0 HD3 PRO A 67 -7.682 10.208 0.539 1.00 71.34 H new TER 1118 PRO A 67