USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 83:sc= -0.556 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -97:sc= -0.0428 (180deg=-0.843) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 137:sc= 0.043 USER MOD Single : A 51 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 55 TYR OH : rot 35:sc= 0.843 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -130:sc= -0.244 USER MOD Single : A 65 THR OG1 : rot 131:sc= -1.74 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.215 -0.684 0.015 1.00 15.22 N ATOM 2 CA MET A 9 1.858 -0.569 -1.289 1.00 14.44 C ATOM 3 C MET A 9 1.699 -1.858 -2.089 1.00 0.52 C ATOM 4 O MET A 9 2.623 -2.667 -2.171 1.00 31.21 O ATOM 5 CB MET A 9 3.342 -0.238 -1.121 1.00 51.35 C ATOM 6 CG MET A 9 3.642 1.252 -1.169 1.00 35.20 C ATOM 7 SD MET A 9 4.994 1.653 -2.292 1.00 21.22 S ATOM 8 CE MET A 9 5.144 3.417 -2.024 1.00 44.43 C ATOM 0 HA MET A 9 1.373 0.239 -1.837 1.00 14.44 H new ATOM 0 HB2 MET A 9 3.690 -0.640 -0.169 1.00 51.35 H new ATOM 0 HB3 MET A 9 3.909 -0.740 -1.905 1.00 51.35 H new ATOM 0 HG2 MET A 9 2.746 1.789 -1.479 1.00 35.20 H new ATOM 0 HG3 MET A 9 3.892 1.601 -0.167 1.00 35.20 H new ATOM 0 HE1 MET A 9 5.943 3.814 -2.651 1.00 44.43 H new ATOM 0 HE2 MET A 9 4.204 3.905 -2.281 1.00 44.43 H new ATOM 0 HE3 MET A 9 5.377 3.607 -0.976 1.00 44.43 H new ATOM 18 N LYS A 10 0.522 -2.042 -2.677 1.00 62.33 N ATOM 19 CA LYS A 10 0.242 -3.232 -3.472 1.00 61.21 C ATOM 20 C LYS A 10 -0.337 -2.854 -4.832 1.00 33.44 C ATOM 21 O LYS A 10 -1.180 -1.962 -4.931 1.00 70.11 O ATOM 22 CB LYS A 10 -0.731 -4.150 -2.728 1.00 41.15 C ATOM 23 CG LYS A 10 -0.049 -5.287 -1.988 1.00 22.03 C ATOM 24 CD LYS A 10 -0.986 -6.468 -1.794 1.00 44.32 C ATOM 25 CE LYS A 10 -1.519 -6.529 -0.371 1.00 41.40 C ATOM 26 NZ LYS A 10 -1.038 -7.739 0.350 1.00 24.33 N ATOM 0 H LYS A 10 -0.254 -1.382 -2.618 1.00 62.33 H new ATOM 0 HA LYS A 10 1.181 -3.762 -3.632 1.00 61.21 H new ATOM 0 HB2 LYS A 10 -1.305 -3.557 -2.016 1.00 41.15 H new ATOM 0 HB3 LYS A 10 -1.442 -4.567 -3.442 1.00 41.15 H new ATOM 0 HG2 LYS A 10 0.832 -5.608 -2.544 1.00 22.03 H new ATOM 0 HG3 LYS A 10 0.298 -4.934 -1.017 1.00 22.03 H new ATOM 0 HD2 LYS A 10 -1.819 -6.391 -2.493 1.00 44.32 H new ATOM 0 HD3 LYS A 10 -0.459 -7.394 -2.026 1.00 44.32 H new ATOM 0 HE2 LYS A 10 -1.209 -5.636 0.171 1.00 41.40 H new ATOM 0 HE3 LYS A 10 -2.609 -6.528 -0.391 1.00 41.40 H new ATOM 0 HZ1 LYS A 10 -1.423 -7.744 1.316 1.00 24.33 H new ATOM 0 HZ2 LYS A 10 -1.355 -8.592 -0.153 1.00 24.33 H new ATOM 0 HZ3 LYS A 10 0.001 -7.728 0.392 1.00 24.33 H new ATOM 40 N ILE A 11 0.119 -3.539 -5.875 1.00 34.31 N ATOM 41 CA ILE A 11 -0.357 -3.277 -7.227 1.00 41.45 C ATOM 42 C ILE A 11 -0.873 -4.552 -7.886 1.00 44.53 C ATOM 43 O ILE A 11 -0.340 -5.639 -7.663 1.00 4.31 O ATOM 44 CB ILE A 11 0.753 -2.671 -8.107 1.00 11.53 C ATOM 45 CG1 ILE A 11 1.439 -1.515 -7.375 1.00 63.12 C ATOM 46 CG2 ILE A 11 0.178 -2.198 -9.434 1.00 4.33 C ATOM 47 CD1 ILE A 11 2.867 -1.816 -6.975 1.00 73.13 C ATOM 0 H ILE A 11 0.817 -4.279 -5.810 1.00 34.31 H new ATOM 0 HA ILE A 11 -1.173 -2.560 -7.140 1.00 41.45 H new ATOM 0 HB ILE A 11 1.497 -3.441 -8.310 1.00 11.53 H new ATOM 0 HG12 ILE A 11 1.428 -0.633 -8.015 1.00 63.12 H new ATOM 0 HG13 ILE A 11 0.864 -1.269 -6.482 1.00 63.12 H new ATOM 0 HG21 ILE A 11 0.974 -1.772 -10.045 1.00 4.33 H new ATOM 0 HG22 ILE A 11 -0.269 -3.042 -9.958 1.00 4.33 H new ATOM 0 HG23 ILE A 11 -0.583 -1.440 -9.251 1.00 4.33 H new ATOM 0 HD11 ILE A 11 3.291 -0.953 -6.461 1.00 73.13 H new ATOM 0 HD12 ILE A 11 2.884 -2.679 -6.309 1.00 73.13 H new ATOM 0 HD13 ILE A 11 3.456 -2.033 -7.866 1.00 73.13 H new ATOM 59 N LYS A 12 -1.912 -4.411 -8.701 1.00 55.23 N ATOM 60 CA LYS A 12 -2.500 -5.550 -9.397 1.00 1.14 C ATOM 61 C LYS A 12 -2.370 -5.391 -10.908 1.00 41.31 C ATOM 62 O LYS A 12 -2.911 -4.451 -11.491 1.00 45.51 O ATOM 63 CB LYS A 12 -3.974 -5.702 -9.014 1.00 62.41 C ATOM 64 CG LYS A 12 -4.368 -7.128 -8.669 1.00 72.01 C ATOM 65 CD LYS A 12 -5.876 -7.278 -8.560 1.00 33.44 C ATOM 66 CE LYS A 12 -6.256 -8.463 -7.685 1.00 32.13 C ATOM 67 NZ LYS A 12 -7.682 -8.853 -7.868 1.00 23.32 N ATOM 0 H LYS A 12 -2.365 -3.518 -8.896 1.00 55.23 H new ATOM 0 HA LYS A 12 -1.958 -6.447 -9.096 1.00 1.14 H new ATOM 0 HB2 LYS A 12 -4.187 -5.058 -8.161 1.00 62.41 H new ATOM 0 HB3 LYS A 12 -4.593 -5.352 -9.840 1.00 62.41 H new ATOM 0 HG2 LYS A 12 -3.988 -7.806 -9.433 1.00 72.01 H new ATOM 0 HG3 LYS A 12 -3.903 -7.417 -7.726 1.00 72.01 H new ATOM 0 HD2 LYS A 12 -6.304 -6.366 -8.145 1.00 33.44 H new ATOM 0 HD3 LYS A 12 -6.303 -7.407 -9.555 1.00 33.44 H new ATOM 0 HE2 LYS A 12 -5.614 -9.311 -7.923 1.00 32.13 H new ATOM 0 HE3 LYS A 12 -6.079 -8.213 -6.639 1.00 32.13 H new ATOM 0 HZ1 LYS A 12 -7.902 -9.664 -7.255 1.00 23.32 H new ATOM 0 HZ2 LYS A 12 -8.296 -8.052 -7.616 1.00 23.32 H new ATOM 0 HZ3 LYS A 12 -7.845 -9.116 -8.861 1.00 23.32 H new ATOM 81 N ILE A 13 -1.652 -6.315 -11.536 1.00 65.41 N ATOM 82 CA ILE A 13 -1.454 -6.278 -12.980 1.00 23.13 C ATOM 83 C ILE A 13 -2.292 -7.344 -13.677 1.00 62.22 C ATOM 84 O ILE A 13 -2.122 -8.539 -13.436 1.00 22.34 O ATOM 85 CB ILE A 13 0.027 -6.482 -13.350 1.00 43.55 C ATOM 86 CG1 ILE A 13 0.196 -6.508 -14.871 1.00 30.00 C ATOM 87 CG2 ILE A 13 0.557 -7.766 -12.731 1.00 33.21 C ATOM 88 CD1 ILE A 13 1.217 -5.516 -15.383 1.00 55.20 C ATOM 0 H ILE A 13 -1.197 -7.099 -11.068 1.00 65.41 H new ATOM 0 HA ILE A 13 -1.772 -5.291 -13.317 1.00 23.13 H new ATOM 0 HB ILE A 13 0.603 -5.646 -12.953 1.00 43.55 H new ATOM 0 HG12 ILE A 13 0.490 -7.511 -15.179 1.00 30.00 H new ATOM 0 HG13 ILE A 13 -0.766 -6.301 -15.339 1.00 30.00 H new ATOM 0 HG21 ILE A 13 1.605 -7.895 -13.002 1.00 33.21 H new ATOM 0 HG22 ILE A 13 0.467 -7.711 -11.646 1.00 33.21 H new ATOM 0 HG23 ILE A 13 -0.021 -8.613 -13.100 1.00 33.21 H new ATOM 0 HD11 ILE A 13 1.284 -5.590 -16.468 1.00 55.20 H new ATOM 0 HD12 ILE A 13 0.914 -4.506 -15.106 1.00 55.20 H new ATOM 0 HD13 ILE A 13 2.190 -5.736 -14.944 1.00 55.20 H new ATOM 100 N VAL A 14 -3.197 -6.904 -14.546 1.00 4.55 N ATOM 101 CA VAL A 14 -4.060 -7.820 -15.281 1.00 41.32 C ATOM 102 C VAL A 14 -3.560 -8.019 -16.708 1.00 34.43 C ATOM 103 O VAL A 14 -3.618 -7.118 -17.544 1.00 3.40 O ATOM 104 CB VAL A 14 -5.513 -7.309 -15.324 1.00 65.53 C ATOM 105 CG1 VAL A 14 -6.426 -8.350 -15.955 1.00 24.04 C ATOM 106 CG2 VAL A 14 -5.990 -6.945 -13.927 1.00 35.11 C ATOM 0 H VAL A 14 -3.351 -5.918 -14.758 1.00 4.55 H new ATOM 0 HA VAL A 14 -4.034 -8.773 -14.753 1.00 41.32 H new ATOM 0 HB VAL A 14 -5.547 -6.410 -15.940 1.00 65.53 H new ATOM 0 HG11 VAL A 14 -7.448 -7.972 -15.977 1.00 24.04 H new ATOM 0 HG12 VAL A 14 -6.094 -8.557 -16.972 1.00 24.04 H new ATOM 0 HG13 VAL A 14 -6.391 -9.268 -15.368 1.00 24.04 H new ATOM 0 HG21 VAL A 14 -7.018 -6.586 -13.976 1.00 35.11 H new ATOM 0 HG22 VAL A 14 -5.943 -7.825 -13.286 1.00 35.11 H new ATOM 0 HG23 VAL A 14 -5.351 -6.163 -13.517 1.00 35.11 H new ATOM 116 N PRO A 15 -3.058 -9.230 -16.995 1.00 14.42 N ATOM 117 CA PRO A 15 -2.540 -9.577 -18.321 1.00 64.10 C ATOM 118 C PRO A 15 -3.644 -9.679 -19.367 1.00 74.11 C ATOM 119 O PRO A 15 -4.737 -10.168 -19.084 1.00 33.44 O ATOM 120 CB PRO A 15 -1.885 -10.943 -18.099 1.00 74.13 C ATOM 121 CG PRO A 15 -2.599 -11.519 -16.925 1.00 3.52 C ATOM 122 CD PRO A 15 -2.959 -10.352 -16.047 1.00 20.12 C ATOM 0 HA PRO A 15 -1.857 -8.818 -18.703 1.00 64.10 H new ATOM 0 HB2 PRO A 15 -1.990 -11.580 -18.977 1.00 74.13 H new ATOM 0 HB3 PRO A 15 -0.817 -10.843 -17.903 1.00 74.13 H new ATOM 0 HG2 PRO A 15 -3.491 -12.062 -17.238 1.00 3.52 H new ATOM 0 HG3 PRO A 15 -1.965 -12.228 -16.392 1.00 3.52 H new ATOM 0 HD2 PRO A 15 -3.900 -10.519 -15.522 1.00 20.12 H new ATOM 0 HD3 PRO A 15 -2.198 -10.171 -15.288 1.00 20.12 H new ATOM 130 N ALA A 16 -3.352 -9.214 -20.577 1.00 63.44 N ATOM 131 CA ALA A 16 -4.320 -9.256 -21.666 1.00 43.13 C ATOM 132 C ALA A 16 -4.191 -10.548 -22.466 1.00 52.11 C ATOM 133 O ALA A 16 -4.176 -10.529 -23.697 1.00 3.00 O ATOM 134 CB ALA A 16 -4.142 -8.050 -22.576 1.00 54.44 C ATOM 0 H ALA A 16 -2.453 -8.804 -20.828 1.00 63.44 H new ATOM 0 HA ALA A 16 -5.320 -9.226 -21.232 1.00 43.13 H new ATOM 0 HB1 ALA A 16 -4.871 -8.094 -23.385 1.00 54.44 H new ATOM 0 HB2 ALA A 16 -4.292 -7.136 -22.002 1.00 54.44 H new ATOM 0 HB3 ALA A 16 -3.135 -8.055 -22.994 1.00 54.44 H new ATOM 140 N VAL A 17 -4.098 -11.670 -21.759 1.00 15.41 N ATOM 141 CA VAL A 17 -3.972 -12.971 -22.403 1.00 65.33 C ATOM 142 C VAL A 17 -5.283 -13.747 -22.339 1.00 5.33 C ATOM 143 O VAL A 17 -6.313 -13.212 -21.931 1.00 23.12 O ATOM 144 CB VAL A 17 -2.857 -13.813 -21.753 1.00 73.14 C ATOM 145 CG1 VAL A 17 -1.544 -13.046 -21.746 1.00 1.15 C ATOM 146 CG2 VAL A 17 -3.254 -14.223 -20.343 1.00 4.51 C ATOM 0 H VAL A 17 -4.108 -11.703 -20.740 1.00 15.41 H new ATOM 0 HA VAL A 17 -3.716 -12.784 -23.446 1.00 65.33 H new ATOM 0 HB VAL A 17 -2.717 -14.718 -22.344 1.00 73.14 H new ATOM 0 HG11 VAL A 17 -0.769 -13.656 -21.283 1.00 1.15 H new ATOM 0 HG12 VAL A 17 -1.256 -12.808 -22.770 1.00 1.15 H new ATOM 0 HG13 VAL A 17 -1.665 -12.123 -21.180 1.00 1.15 H new ATOM 0 HG21 VAL A 17 -2.456 -14.817 -19.898 1.00 4.51 H new ATOM 0 HG22 VAL A 17 -3.423 -13.332 -19.739 1.00 4.51 H new ATOM 0 HG23 VAL A 17 -4.169 -14.815 -20.380 1.00 4.51 H new ATOM 156 N GLY A 18 -5.236 -15.012 -22.744 1.00 71.30 N ATOM 157 CA GLY A 18 -6.427 -15.842 -22.724 1.00 3.21 C ATOM 158 C GLY A 18 -7.135 -15.806 -21.384 1.00 74.55 C ATOM 159 O GLY A 18 -8.177 -15.167 -21.242 1.00 4.01 O ATOM 0 H GLY A 18 -4.395 -15.477 -23.086 1.00 71.30 H new ATOM 0 HA2 GLY A 18 -7.112 -15.508 -23.503 1.00 3.21 H new ATOM 0 HA3 GLY A 18 -6.154 -16.870 -22.960 1.00 3.21 H new ATOM 163 N GLY A 19 -6.570 -16.498 -20.399 1.00 54.31 N ATOM 164 CA GLY A 19 -7.170 -16.531 -19.078 1.00 23.12 C ATOM 165 C GLY A 19 -7.264 -15.155 -18.449 1.00 23.11 C ATOM 166 O GLY A 19 -8.273 -14.814 -17.833 1.00 43.13 O ATOM 0 H GLY A 19 -5.708 -17.036 -20.492 1.00 54.31 H new ATOM 0 HA2 GLY A 19 -8.168 -16.965 -19.146 1.00 23.12 H new ATOM 0 HA3 GLY A 19 -6.582 -17.183 -18.432 1.00 23.12 H new ATOM 170 N GLY A 20 -6.207 -14.362 -18.602 1.00 73.35 N ATOM 171 CA GLY A 20 -6.195 -13.026 -18.038 1.00 4.45 C ATOM 172 C GLY A 20 -6.551 -13.015 -16.564 1.00 62.52 C ATOM 173 O GLY A 20 -7.718 -12.872 -16.202 1.00 14.42 O ATOM 0 H GLY A 20 -5.359 -14.622 -19.107 1.00 73.35 H new ATOM 0 HA2 GLY A 20 -5.207 -12.587 -18.173 1.00 4.45 H new ATOM 0 HA3 GLY A 20 -6.900 -12.398 -18.583 1.00 4.45 H new ATOM 177 N SER A 21 -5.542 -13.170 -15.712 1.00 75.31 N ATOM 178 CA SER A 21 -5.756 -13.184 -14.270 1.00 2.03 C ATOM 179 C SER A 21 -4.875 -12.147 -13.580 1.00 42.53 C ATOM 180 O SER A 21 -3.673 -12.051 -13.830 1.00 51.42 O ATOM 181 CB SER A 21 -5.464 -14.575 -13.703 1.00 13.22 C ATOM 182 OG SER A 21 -4.236 -15.080 -14.197 1.00 40.21 O ATOM 0 H SER A 21 -4.569 -13.288 -15.996 1.00 75.31 H new ATOM 0 HA SER A 21 -6.800 -12.933 -14.080 1.00 2.03 H new ATOM 0 HB2 SER A 21 -5.430 -14.527 -12.615 1.00 13.22 H new ATOM 0 HB3 SER A 21 -6.273 -15.256 -13.967 1.00 13.22 H new ATOM 0 HG SER A 21 -4.072 -15.969 -13.818 1.00 40.21 H new ATOM 188 N PRO A 22 -5.486 -11.350 -12.691 1.00 3.03 N ATOM 189 CA PRO A 22 -4.777 -10.305 -11.946 1.00 21.21 C ATOM 190 C PRO A 22 -3.812 -10.881 -10.915 1.00 33.21 C ATOM 191 O PRO A 22 -4.178 -11.756 -10.129 1.00 23.33 O ATOM 192 CB PRO A 22 -5.905 -9.537 -11.252 1.00 44.35 C ATOM 193 CG PRO A 22 -7.016 -10.521 -11.133 1.00 72.31 C ATOM 194 CD PRO A 22 -6.915 -11.408 -12.343 1.00 75.31 C ATOM 0 HA PRO A 22 -4.160 -9.687 -12.598 1.00 21.21 H new ATOM 0 HB2 PRO A 22 -5.592 -9.173 -10.273 1.00 44.35 H new ATOM 0 HB3 PRO A 22 -6.208 -8.667 -11.834 1.00 44.35 H new ATOM 0 HG2 PRO A 22 -6.926 -11.102 -10.215 1.00 72.31 H new ATOM 0 HG3 PRO A 22 -7.982 -10.017 -11.098 1.00 72.31 H new ATOM 0 HD2 PRO A 22 -7.234 -12.427 -12.122 1.00 75.31 H new ATOM 0 HD3 PRO A 22 -7.542 -11.048 -13.159 1.00 75.31 H new ATOM 202 N LEU A 23 -2.580 -10.385 -10.923 1.00 20.42 N ATOM 203 CA LEU A 23 -1.562 -10.851 -9.987 1.00 50.31 C ATOM 204 C LEU A 23 -1.139 -9.731 -9.041 1.00 72.23 C ATOM 205 O LEU A 23 -0.864 -8.612 -9.473 1.00 61.42 O ATOM 206 CB LEU A 23 -0.344 -11.378 -10.748 1.00 54.02 C ATOM 207 CG LEU A 23 0.835 -11.838 -9.891 1.00 63.31 C ATOM 208 CD1 LEU A 23 0.375 -12.838 -8.842 1.00 33.20 C ATOM 209 CD2 LEU A 23 1.925 -12.443 -10.764 1.00 42.44 C ATOM 0 H LEU A 23 -2.261 -9.661 -11.567 1.00 20.42 H new ATOM 0 HA LEU A 23 -1.991 -11.660 -9.395 1.00 50.31 H new ATOM 0 HB2 LEU A 23 -0.663 -12.214 -11.370 1.00 54.02 H new ATOM 0 HB3 LEU A 23 0.006 -10.595 -11.421 1.00 54.02 H new ATOM 0 HG LEU A 23 1.247 -10.969 -9.379 1.00 63.31 H new ATOM 0 HD11 LEU A 23 1.228 -13.154 -8.242 1.00 33.20 H new ATOM 0 HD12 LEU A 23 -0.370 -12.372 -8.197 1.00 33.20 H new ATOM 0 HD13 LEU A 23 -0.064 -13.706 -9.334 1.00 33.20 H new ATOM 0 HD21 LEU A 23 2.756 -12.765 -10.137 1.00 42.44 H new ATOM 0 HD22 LEU A 23 1.524 -13.301 -11.304 1.00 42.44 H new ATOM 0 HD23 LEU A 23 2.276 -11.697 -11.477 1.00 42.44 H new ATOM 221 N GLU A 24 -1.088 -10.042 -7.750 1.00 32.12 N ATOM 222 CA GLU A 24 -0.697 -9.062 -6.744 1.00 12.23 C ATOM 223 C GLU A 24 0.802 -9.132 -6.470 1.00 4.41 C ATOM 224 O GLU A 24 1.346 -10.202 -6.194 1.00 74.34 O ATOM 225 CB GLU A 24 -1.475 -9.292 -5.446 1.00 41.31 C ATOM 226 CG GLU A 24 -2.244 -8.070 -4.973 1.00 13.10 C ATOM 227 CD GLU A 24 -3.609 -8.421 -4.413 1.00 11.40 C ATOM 228 OE1 GLU A 24 -4.392 -9.081 -5.127 1.00 30.32 O ATOM 229 OE2 GLU A 24 -3.894 -8.034 -3.260 1.00 23.11 O ATOM 0 H GLU A 24 -1.312 -10.964 -7.376 1.00 32.12 H new ATOM 0 HA GLU A 24 -0.933 -8.070 -7.130 1.00 12.23 H new ATOM 0 HB2 GLU A 24 -2.173 -10.116 -5.592 1.00 41.31 H new ATOM 0 HB3 GLU A 24 -0.779 -9.598 -4.665 1.00 41.31 H new ATOM 0 HG2 GLU A 24 -1.664 -7.553 -4.209 1.00 13.10 H new ATOM 0 HG3 GLU A 24 -2.364 -7.376 -5.805 1.00 13.10 H new ATOM 236 N LEU A 25 1.466 -7.984 -6.548 1.00 40.42 N ATOM 237 CA LEU A 25 2.903 -7.913 -6.310 1.00 5.15 C ATOM 238 C LEU A 25 3.274 -6.618 -5.593 1.00 35.31 C ATOM 239 O LEU A 25 2.516 -5.649 -5.613 1.00 42.32 O ATOM 240 CB LEU A 25 3.665 -8.013 -7.632 1.00 45.12 C ATOM 241 CG LEU A 25 5.188 -8.111 -7.524 1.00 54.21 C ATOM 242 CD1 LEU A 25 5.585 -9.275 -6.630 1.00 45.10 C ATOM 243 CD2 LEU A 25 5.812 -8.258 -8.904 1.00 72.21 C ATOM 0 H LEU A 25 1.032 -7.089 -6.774 1.00 40.42 H new ATOM 0 HA LEU A 25 3.182 -8.752 -5.673 1.00 5.15 H new ATOM 0 HB2 LEU A 25 3.302 -8.888 -8.172 1.00 45.12 H new ATOM 0 HB3 LEU A 25 3.419 -7.140 -8.237 1.00 45.12 H new ATOM 0 HG LEU A 25 5.562 -7.191 -7.075 1.00 54.21 H new ATOM 0 HD11 LEU A 25 6.672 -9.329 -6.565 1.00 45.10 H new ATOM 0 HD12 LEU A 25 5.169 -9.127 -5.634 1.00 45.10 H new ATOM 0 HD13 LEU A 25 5.200 -10.204 -7.050 1.00 45.10 H new ATOM 0 HD21 LEU A 25 6.896 -8.326 -8.808 1.00 72.21 H new ATOM 0 HD22 LEU A 25 5.432 -9.162 -9.381 1.00 72.21 H new ATOM 0 HD23 LEU A 25 5.556 -7.391 -9.513 1.00 72.21 H new ATOM 255 N GLU A 26 4.444 -6.611 -4.962 1.00 52.43 N ATOM 256 CA GLU A 26 4.914 -5.434 -4.241 1.00 2.02 C ATOM 257 C GLU A 26 5.977 -4.691 -5.045 1.00 61.33 C ATOM 258 O GLU A 26 7.109 -5.156 -5.177 1.00 64.24 O ATOM 259 CB GLU A 26 5.480 -5.837 -2.877 1.00 52.33 C ATOM 260 CG GLU A 26 4.743 -5.212 -1.704 1.00 64.12 C ATOM 261 CD GLU A 26 5.123 -5.838 -0.377 1.00 24.45 C ATOM 262 OE1 GLU A 26 5.597 -6.994 -0.380 1.00 43.14 O ATOM 263 OE2 GLU A 26 4.947 -5.174 0.666 1.00 52.12 O ATOM 0 H GLU A 26 5.083 -7.406 -4.935 1.00 52.43 H new ATOM 0 HA GLU A 26 4.064 -4.768 -4.092 1.00 2.02 H new ATOM 0 HB2 GLU A 26 5.441 -6.922 -2.783 1.00 52.33 H new ATOM 0 HB3 GLU A 26 6.531 -5.550 -2.830 1.00 52.33 H new ATOM 0 HG2 GLU A 26 4.958 -4.144 -1.672 1.00 64.12 H new ATOM 0 HG3 GLU A 26 3.669 -5.317 -1.857 1.00 64.12 H new ATOM 270 N VAL A 27 5.603 -3.534 -5.582 1.00 5.10 N ATOM 271 CA VAL A 27 6.523 -2.726 -6.373 1.00 45.33 C ATOM 272 C VAL A 27 6.332 -1.240 -6.091 1.00 54.23 C ATOM 273 O VAL A 27 5.262 -0.813 -5.657 1.00 23.23 O ATOM 274 CB VAL A 27 6.338 -2.979 -7.881 1.00 64.03 C ATOM 275 CG1 VAL A 27 7.503 -2.397 -8.668 1.00 10.44 C ATOM 276 CG2 VAL A 27 6.190 -4.468 -8.157 1.00 12.33 C ATOM 0 H VAL A 27 4.669 -3.135 -5.484 1.00 5.10 H new ATOM 0 HA VAL A 27 7.532 -3.021 -6.084 1.00 45.33 H new ATOM 0 HB VAL A 27 5.425 -2.479 -8.206 1.00 64.03 H new ATOM 0 HG11 VAL A 27 7.354 -2.586 -9.731 1.00 10.44 H new ATOM 0 HG12 VAL A 27 7.559 -1.322 -8.495 1.00 10.44 H new ATOM 0 HG13 VAL A 27 8.432 -2.865 -8.343 1.00 10.44 H new ATOM 0 HG21 VAL A 27 6.060 -4.629 -9.227 1.00 12.33 H new ATOM 0 HG22 VAL A 27 7.084 -4.992 -7.817 1.00 12.33 H new ATOM 0 HG23 VAL A 27 5.320 -4.852 -7.624 1.00 12.33 H new ATOM 286 N ALA A 28 7.375 -0.456 -6.342 1.00 41.03 N ATOM 287 CA ALA A 28 7.321 0.983 -6.118 1.00 12.20 C ATOM 288 C ALA A 28 7.448 1.749 -7.431 1.00 33.42 C ATOM 289 O ALA A 28 8.482 1.718 -8.097 1.00 44.53 O ATOM 290 CB ALA A 28 8.415 1.408 -5.149 1.00 75.03 C ATOM 0 H ALA A 28 8.268 -0.794 -6.701 1.00 41.03 H new ATOM 0 HA ALA A 28 6.351 1.221 -5.681 1.00 12.20 H new ATOM 0 HB1 ALA A 28 8.363 2.485 -4.991 1.00 75.03 H new ATOM 0 HB2 ALA A 28 8.278 0.895 -4.197 1.00 75.03 H new ATOM 0 HB3 ALA A 28 9.389 1.149 -5.564 1.00 75.03 H new ATOM 296 N PRO A 29 6.371 2.451 -7.813 1.00 42.34 N ATOM 297 CA PRO A 29 6.338 3.238 -9.050 1.00 31.10 C ATOM 298 C PRO A 29 7.237 4.467 -8.979 1.00 50.44 C ATOM 299 O PRO A 29 7.513 5.105 -9.995 1.00 25.34 O ATOM 300 CB PRO A 29 4.870 3.655 -9.166 1.00 34.04 C ATOM 301 CG PRO A 29 4.359 3.637 -7.766 1.00 64.00 C ATOM 302 CD PRO A 29 5.104 2.533 -7.068 1.00 72.41 C ATOM 0 HA PRO A 29 6.702 2.669 -9.905 1.00 31.10 H new ATOM 0 HB2 PRO A 29 4.774 4.646 -9.610 1.00 34.04 H new ATOM 0 HB3 PRO A 29 4.312 2.966 -9.800 1.00 34.04 H new ATOM 0 HG2 PRO A 29 4.531 4.595 -7.275 1.00 64.00 H new ATOM 0 HG3 PRO A 29 3.284 3.457 -7.745 1.00 64.00 H new ATOM 0 HD2 PRO A 29 5.271 2.764 -6.016 1.00 72.41 H new ATOM 0 HD3 PRO A 29 4.555 1.592 -7.105 1.00 72.41 H new ATOM 310 N ASN A 30 7.691 4.795 -7.774 1.00 34.43 N ATOM 311 CA ASN A 30 8.559 5.949 -7.571 1.00 70.31 C ATOM 312 C ASN A 30 10.021 5.574 -7.792 1.00 5.42 C ATOM 313 O ASN A 30 10.924 6.363 -7.511 1.00 33.45 O ATOM 314 CB ASN A 30 8.372 6.512 -6.161 1.00 4.21 C ATOM 315 CG ASN A 30 6.929 6.449 -5.699 1.00 62.03 C ATOM 316 OD1 ASN A 30 6.004 6.620 -6.493 1.00 51.30 O ATOM 317 ND2 ASN A 30 6.731 6.202 -4.410 1.00 0.14 N ATOM 0 H ASN A 30 7.472 4.278 -6.923 1.00 34.43 H new ATOM 0 HA ASN A 30 8.284 6.713 -8.299 1.00 70.31 H new ATOM 0 HB2 ASN A 30 8.998 5.955 -5.464 1.00 4.21 H new ATOM 0 HB3 ASN A 30 8.713 7.547 -6.138 1.00 4.21 H new ATOM 0 HD21 ASN A 30 5.782 6.147 -4.041 1.00 0.14 H new ATOM 0 HD22 ASN A 30 7.528 6.067 -3.788 1.00 0.14 H new ATOM 324 N ALA A 31 10.248 4.366 -8.298 1.00 15.43 N ATOM 325 CA ALA A 31 11.600 3.888 -8.559 1.00 15.41 C ATOM 326 C ALA A 31 11.934 3.973 -10.044 1.00 63.32 C ATOM 327 O ALA A 31 12.645 4.879 -10.481 1.00 71.32 O ATOM 328 CB ALA A 31 11.760 2.460 -8.060 1.00 72.10 C ATOM 0 H ALA A 31 9.512 3.700 -8.535 1.00 15.43 H new ATOM 0 HA ALA A 31 12.297 4.529 -8.019 1.00 15.41 H new ATOM 0 HB1 ALA A 31 12.774 2.116 -8.261 1.00 72.10 H new ATOM 0 HB2 ALA A 31 11.572 2.426 -6.987 1.00 72.10 H new ATOM 0 HB3 ALA A 31 11.049 1.813 -8.574 1.00 72.10 H new ATOM 334 N THR A 32 11.419 3.022 -10.817 1.00 54.04 N ATOM 335 CA THR A 32 11.664 2.988 -12.254 1.00 23.15 C ATOM 336 C THR A 32 10.575 2.207 -12.979 1.00 72.13 C ATOM 337 O THR A 32 10.074 1.203 -12.473 1.00 24.34 O ATOM 338 CB THR A 32 13.033 2.357 -12.574 1.00 54.35 C ATOM 339 OG1 THR A 32 13.908 2.487 -11.448 1.00 72.55 O ATOM 340 CG2 THR A 32 13.662 3.020 -13.791 1.00 33.32 C ATOM 0 H THR A 32 10.829 2.265 -10.472 1.00 54.04 H new ATOM 0 HA THR A 32 11.658 4.021 -12.601 1.00 23.15 H new ATOM 0 HB THR A 32 12.879 1.300 -12.793 1.00 54.35 H new ATOM 0 HG1 THR A 32 14.775 2.082 -11.659 1.00 72.55 H new ATOM 0 HG21 THR A 32 14.628 2.559 -13.998 1.00 33.32 H new ATOM 0 HG22 THR A 32 13.007 2.894 -14.653 1.00 33.32 H new ATOM 0 HG23 THR A 32 13.803 4.083 -13.594 1.00 33.32 H new ATOM 348 N VAL A 33 10.211 2.674 -14.170 1.00 25.13 N ATOM 349 CA VAL A 33 9.182 2.018 -14.967 1.00 31.44 C ATOM 350 C VAL A 33 9.661 0.662 -15.475 1.00 12.42 C ATOM 351 O VAL A 33 8.939 -0.331 -15.400 1.00 53.25 O ATOM 352 CB VAL A 33 8.764 2.886 -16.168 1.00 72.32 C ATOM 353 CG1 VAL A 33 7.739 2.156 -17.023 1.00 53.42 C ATOM 354 CG2 VAL A 33 8.219 4.224 -15.694 1.00 11.52 C ATOM 0 H VAL A 33 10.614 3.505 -14.604 1.00 25.13 H new ATOM 0 HA VAL A 33 8.320 1.874 -14.315 1.00 31.44 H new ATOM 0 HB VAL A 33 9.645 3.075 -16.781 1.00 72.32 H new ATOM 0 HG11 VAL A 33 7.455 2.785 -17.867 1.00 53.42 H new ATOM 0 HG12 VAL A 33 8.170 1.225 -17.392 1.00 53.42 H new ATOM 0 HG13 VAL A 33 6.856 1.934 -16.423 1.00 53.42 H new ATOM 0 HG21 VAL A 33 7.929 4.825 -16.556 1.00 11.52 H new ATOM 0 HG22 VAL A 33 7.350 4.058 -15.058 1.00 11.52 H new ATOM 0 HG23 VAL A 33 8.988 4.750 -15.128 1.00 11.52 H new ATOM 364 N GLY A 34 10.885 0.629 -15.992 1.00 5.32 N ATOM 365 CA GLY A 34 11.441 -0.609 -16.505 1.00 32.41 C ATOM 366 C GLY A 34 11.584 -1.669 -15.431 1.00 24.24 C ATOM 367 O GLY A 34 11.435 -2.860 -15.701 1.00 34.44 O ATOM 0 H GLY A 34 11.502 1.438 -16.065 1.00 5.32 H new ATOM 0 HA2 GLY A 34 10.802 -0.988 -17.302 1.00 32.41 H new ATOM 0 HA3 GLY A 34 12.417 -0.410 -16.947 1.00 32.41 H new ATOM 371 N ALA A 35 11.877 -1.235 -14.209 1.00 63.41 N ATOM 372 CA ALA A 35 12.041 -2.155 -13.090 1.00 60.55 C ATOM 373 C ALA A 35 10.734 -2.876 -12.777 1.00 24.32 C ATOM 374 O ALA A 35 10.717 -4.090 -12.572 1.00 72.24 O ATOM 375 CB ALA A 35 12.543 -1.410 -11.863 1.00 14.23 C ATOM 0 H ALA A 35 12.006 -0.252 -13.969 1.00 63.41 H new ATOM 0 HA ALA A 35 12.780 -2.904 -13.373 1.00 60.55 H new ATOM 0 HB1 ALA A 35 12.661 -2.110 -11.035 1.00 14.23 H new ATOM 0 HB2 ALA A 35 13.504 -0.947 -12.086 1.00 14.23 H new ATOM 0 HB3 ALA A 35 11.824 -0.639 -11.586 1.00 14.23 H new ATOM 381 N VAL A 36 9.641 -2.121 -12.739 1.00 43.23 N ATOM 382 CA VAL A 36 8.329 -2.688 -12.451 1.00 5.13 C ATOM 383 C VAL A 36 7.849 -3.572 -13.596 1.00 20.21 C ATOM 384 O VAL A 36 7.248 -4.623 -13.372 1.00 65.32 O ATOM 385 CB VAL A 36 7.285 -1.585 -12.195 1.00 61.12 C ATOM 386 CG1 VAL A 36 5.996 -2.185 -11.655 1.00 0.02 C ATOM 387 CG2 VAL A 36 7.838 -0.539 -11.239 1.00 22.42 C ATOM 0 H VAL A 36 9.638 -1.114 -12.904 1.00 43.23 H new ATOM 0 HA VAL A 36 8.436 -3.292 -11.550 1.00 5.13 H new ATOM 0 HB VAL A 36 7.060 -1.095 -13.142 1.00 61.12 H new ATOM 0 HG11 VAL A 36 5.270 -1.391 -11.480 1.00 0.02 H new ATOM 0 HG12 VAL A 36 5.592 -2.892 -12.380 1.00 0.02 H new ATOM 0 HG13 VAL A 36 6.200 -2.703 -10.718 1.00 0.02 H new ATOM 0 HG21 VAL A 36 7.087 0.232 -11.070 1.00 22.42 H new ATOM 0 HG22 VAL A 36 8.093 -1.012 -10.290 1.00 22.42 H new ATOM 0 HG23 VAL A 36 8.731 -0.087 -11.671 1.00 22.42 H new ATOM 397 N ARG A 37 8.118 -3.139 -14.823 1.00 71.33 N ATOM 398 CA ARG A 37 7.712 -3.891 -16.005 1.00 24.44 C ATOM 399 C ARG A 37 8.391 -5.258 -16.039 1.00 3.51 C ATOM 400 O ARG A 37 7.741 -6.282 -16.251 1.00 10.41 O ATOM 401 CB ARG A 37 8.052 -3.109 -17.275 1.00 32.32 C ATOM 402 CG ARG A 37 7.442 -3.701 -18.535 1.00 44.34 C ATOM 403 CD ARG A 37 8.458 -4.524 -19.312 1.00 21.13 C ATOM 404 NE ARG A 37 9.391 -3.682 -20.056 1.00 23.43 N ATOM 405 CZ ARG A 37 10.225 -4.148 -20.979 1.00 24.02 C ATOM 406 NH1 ARG A 37 10.242 -5.441 -21.270 1.00 61.31 N ATOM 407 NH2 ARG A 37 11.045 -3.319 -21.613 1.00 73.10 N ATOM 0 H ARG A 37 8.615 -2.272 -15.025 1.00 71.33 H new ATOM 0 HA ARG A 37 6.633 -4.041 -15.957 1.00 24.44 H new ATOM 0 HB2 ARG A 37 7.707 -2.081 -17.162 1.00 32.32 H new ATOM 0 HB3 ARG A 37 9.135 -3.071 -17.389 1.00 32.32 H new ATOM 0 HG2 ARG A 37 6.591 -4.328 -18.269 1.00 44.34 H new ATOM 0 HG3 ARG A 37 7.061 -2.899 -19.168 1.00 44.34 H new ATOM 0 HD2 ARG A 37 9.014 -5.159 -18.622 1.00 21.13 H new ATOM 0 HD3 ARG A 37 7.936 -5.185 -20.004 1.00 21.13 H new ATOM 0 HE ARG A 37 9.403 -2.682 -19.856 1.00 23.43 H new ATOM 0 HH11 ARG A 37 9.614 -6.081 -20.785 1.00 61.31 H new ATOM 0 HH12 ARG A 37 10.884 -5.796 -21.979 1.00 61.31 H new ATOM 0 HH21 ARG A 37 11.035 -2.323 -21.392 1.00 73.10 H new ATOM 0 HH22 ARG A 37 11.685 -3.678 -22.322 1.00 73.10 H new ATOM 421 N THR A 38 9.704 -5.266 -15.829 1.00 42.34 N ATOM 422 CA THR A 38 10.472 -6.505 -15.838 1.00 52.50 C ATOM 423 C THR A 38 10.121 -7.377 -14.638 1.00 4.20 C ATOM 424 O THR A 38 10.104 -8.604 -14.733 1.00 70.22 O ATOM 425 CB THR A 38 11.987 -6.227 -15.831 1.00 51.44 C ATOM 426 OG1 THR A 38 12.710 -7.449 -16.012 1.00 20.30 O ATOM 427 CG2 THR A 38 12.411 -5.569 -14.527 1.00 13.12 C ATOM 0 H THR A 38 10.258 -4.428 -15.651 1.00 42.34 H new ATOM 0 HA THR A 38 10.212 -7.032 -16.756 1.00 52.50 H new ATOM 0 HB THR A 38 12.213 -5.547 -16.652 1.00 51.44 H new ATOM 0 HG1 THR A 38 13.672 -7.263 -16.008 1.00 20.30 H new ATOM 0 HG21 THR A 38 13.485 -5.383 -14.546 1.00 13.12 H new ATOM 0 HG22 THR A 38 11.881 -4.624 -14.407 1.00 13.12 H new ATOM 0 HG23 THR A 38 12.172 -6.228 -13.692 1.00 13.12 H new ATOM 435 N LYS A 39 9.842 -6.736 -13.508 1.00 52.11 N ATOM 436 CA LYS A 39 9.489 -7.453 -12.288 1.00 44.34 C ATOM 437 C LYS A 39 8.193 -8.236 -12.473 1.00 3.34 C ATOM 438 O LYS A 39 8.104 -9.405 -12.097 1.00 13.41 O ATOM 439 CB LYS A 39 9.345 -6.474 -11.121 1.00 32.02 C ATOM 440 CG LYS A 39 10.601 -6.345 -10.276 1.00 54.13 C ATOM 441 CD LYS A 39 10.319 -6.630 -8.811 1.00 32.43 C ATOM 442 CE LYS A 39 10.101 -8.115 -8.564 1.00 23.41 C ATOM 443 NZ LYS A 39 10.116 -8.444 -7.112 1.00 23.34 N ATOM 0 H LYS A 39 9.853 -5.721 -13.412 1.00 52.11 H new ATOM 0 HA LYS A 39 10.290 -8.158 -12.065 1.00 44.34 H new ATOM 0 HB2 LYS A 39 9.078 -5.492 -11.512 1.00 32.02 H new ATOM 0 HB3 LYS A 39 8.521 -6.798 -10.485 1.00 32.02 H new ATOM 0 HG2 LYS A 39 11.360 -7.036 -10.643 1.00 54.13 H new ATOM 0 HG3 LYS A 39 11.009 -5.340 -10.380 1.00 54.13 H new ATOM 0 HD2 LYS A 39 11.153 -6.278 -8.204 1.00 32.43 H new ATOM 0 HD3 LYS A 39 9.437 -6.074 -8.494 1.00 32.43 H new ATOM 0 HE2 LYS A 39 9.147 -8.419 -8.995 1.00 23.41 H new ATOM 0 HE3 LYS A 39 10.877 -8.686 -9.074 1.00 23.41 H new ATOM 0 HZ1 LYS A 39 9.964 -9.465 -6.986 1.00 23.34 H new ATOM 0 HZ2 LYS A 39 11.035 -8.178 -6.705 1.00 23.34 H new ATOM 0 HZ3 LYS A 39 9.359 -7.919 -6.629 1.00 23.34 H new ATOM 457 N VAL A 40 7.191 -7.584 -13.055 1.00 23.34 N ATOM 458 CA VAL A 40 5.901 -8.221 -13.291 1.00 51.52 C ATOM 459 C VAL A 40 6.005 -9.288 -14.374 1.00 60.24 C ATOM 460 O VAL A 40 5.413 -10.362 -14.261 1.00 22.34 O ATOM 461 CB VAL A 40 4.834 -7.189 -13.703 1.00 72.22 C ATOM 462 CG1 VAL A 40 3.505 -7.876 -13.978 1.00 71.32 C ATOM 463 CG2 VAL A 40 4.680 -6.124 -12.628 1.00 41.33 C ATOM 0 H VAL A 40 7.248 -6.616 -13.371 1.00 23.34 H new ATOM 0 HA VAL A 40 5.602 -8.688 -12.353 1.00 51.52 H new ATOM 0 HB VAL A 40 5.161 -6.701 -14.621 1.00 72.22 H new ATOM 0 HG11 VAL A 40 2.764 -7.131 -14.268 1.00 71.32 H new ATOM 0 HG12 VAL A 40 3.629 -8.598 -14.785 1.00 71.32 H new ATOM 0 HG13 VAL A 40 3.169 -8.392 -13.078 1.00 71.32 H new ATOM 0 HG21 VAL A 40 3.922 -5.403 -12.936 1.00 41.33 H new ATOM 0 HG22 VAL A 40 4.376 -6.593 -11.692 1.00 41.33 H new ATOM 0 HG23 VAL A 40 5.631 -5.611 -12.485 1.00 41.33 H new ATOM 473 N CYS A 41 6.761 -8.986 -15.424 1.00 70.21 N ATOM 474 CA CYS A 41 6.943 -9.920 -16.529 1.00 70.54 C ATOM 475 C CYS A 41 7.564 -11.225 -16.042 1.00 23.22 C ATOM 476 O CYS A 41 7.111 -12.312 -16.400 1.00 10.15 O ATOM 477 CB CYS A 41 7.823 -9.296 -17.613 1.00 3.22 C ATOM 478 SG CYS A 41 6.970 -8.084 -18.649 1.00 64.44 S ATOM 0 H CYS A 41 7.258 -8.102 -15.533 1.00 70.21 H new ATOM 0 HA CYS A 41 5.962 -10.140 -16.950 1.00 70.54 H new ATOM 0 HB2 CYS A 41 8.679 -8.815 -17.139 1.00 3.22 H new ATOM 0 HB3 CYS A 41 8.215 -10.090 -18.249 1.00 3.22 H new ATOM 0 HG CYS A 41 6.954 -6.932 -18.046 1.00 64.44 H new ATOM 484 N ALA A 42 8.606 -11.109 -15.224 1.00 72.44 N ATOM 485 CA ALA A 42 9.289 -12.279 -14.687 1.00 64.55 C ATOM 486 C ALA A 42 8.386 -13.054 -13.734 1.00 13.31 C ATOM 487 O ALA A 42 8.403 -14.284 -13.709 1.00 2.11 O ATOM 488 CB ALA A 42 10.572 -11.864 -13.982 1.00 52.00 C ATOM 0 H ALA A 42 8.995 -10.217 -14.919 1.00 72.44 H new ATOM 0 HA ALA A 42 9.541 -12.935 -15.520 1.00 64.55 H new ATOM 0 HB1 ALA A 42 11.072 -12.748 -13.586 1.00 52.00 H new ATOM 0 HB2 ALA A 42 11.231 -11.362 -14.691 1.00 52.00 H new ATOM 0 HB3 ALA A 42 10.334 -11.184 -13.164 1.00 52.00 H new ATOM 494 N MET A 43 7.598 -12.325 -12.950 1.00 52.01 N ATOM 495 CA MET A 43 6.687 -12.945 -11.995 1.00 13.43 C ATOM 496 C MET A 43 5.696 -13.862 -12.705 1.00 0.14 C ATOM 497 O MET A 43 5.224 -14.845 -12.133 1.00 10.45 O ATOM 498 CB MET A 43 5.932 -11.872 -11.207 1.00 42.33 C ATOM 499 CG MET A 43 6.255 -11.869 -9.722 1.00 15.22 C ATOM 500 SD MET A 43 4.776 -11.854 -8.690 1.00 53.22 S ATOM 501 CE MET A 43 4.919 -13.439 -7.870 1.00 22.34 C ATOM 0 H MET A 43 7.572 -11.305 -12.957 1.00 52.01 H new ATOM 0 HA MET A 43 7.279 -13.545 -11.304 1.00 13.43 H new ATOM 0 HB2 MET A 43 6.168 -10.893 -11.624 1.00 42.33 H new ATOM 0 HB3 MET A 43 4.860 -12.024 -11.337 1.00 42.33 H new ATOM 0 HG2 MET A 43 6.852 -12.749 -9.482 1.00 15.22 H new ATOM 0 HG3 MET A 43 6.865 -10.997 -9.489 1.00 15.22 H new ATOM 0 HE1 MET A 43 4.074 -13.577 -7.195 1.00 22.34 H new ATOM 0 HE2 MET A 43 4.923 -14.235 -8.615 1.00 22.34 H new ATOM 0 HE3 MET A 43 5.848 -13.471 -7.300 1.00 22.34 H new ATOM 511 N LYS A 44 5.384 -13.535 -13.954 1.00 44.32 N ATOM 512 CA LYS A 44 4.451 -14.329 -14.743 1.00 75.14 C ATOM 513 C LYS A 44 5.196 -15.296 -15.658 1.00 1.30 C ATOM 514 O LYS A 44 4.591 -16.167 -16.283 1.00 23.11 O ATOM 515 CB LYS A 44 3.549 -13.415 -15.576 1.00 73.22 C ATOM 516 CG LYS A 44 3.002 -12.229 -14.801 1.00 22.14 C ATOM 517 CD LYS A 44 1.492 -12.124 -14.934 1.00 2.34 C ATOM 518 CE LYS A 44 0.793 -13.319 -14.306 1.00 34.52 C ATOM 519 NZ LYS A 44 -0.037 -14.060 -15.297 1.00 25.14 N ATOM 0 H LYS A 44 5.764 -12.724 -14.442 1.00 44.32 H new ATOM 0 HA LYS A 44 3.835 -14.909 -14.055 1.00 75.14 H new ATOM 0 HB2 LYS A 44 4.111 -13.049 -16.435 1.00 73.22 H new ATOM 0 HB3 LYS A 44 2.715 -13.999 -15.966 1.00 73.22 H new ATOM 0 HG2 LYS A 44 3.270 -12.326 -13.749 1.00 22.14 H new ATOM 0 HG3 LYS A 44 3.465 -11.311 -15.164 1.00 22.14 H new ATOM 0 HD2 LYS A 44 1.147 -11.207 -14.457 1.00 2.34 H new ATOM 0 HD3 LYS A 44 1.222 -12.056 -15.988 1.00 2.34 H new ATOM 0 HE2 LYS A 44 1.537 -13.992 -13.880 1.00 34.52 H new ATOM 0 HE3 LYS A 44 0.162 -12.980 -13.485 1.00 34.52 H new ATOM 0 HZ1 LYS A 44 -1.026 -13.748 -15.224 1.00 25.14 H new ATOM 0 HZ2 LYS A 44 0.316 -13.870 -16.257 1.00 25.14 H new ATOM 0 HZ3 LYS A 44 0.020 -15.080 -15.103 1.00 25.14 H new ATOM 533 N LYS A 45 6.513 -15.137 -15.731 1.00 3.00 N ATOM 534 CA LYS A 45 7.343 -15.997 -16.567 1.00 11.13 C ATOM 535 C LYS A 45 6.975 -15.843 -18.039 1.00 64.10 C ATOM 536 O LYS A 45 6.652 -16.821 -18.714 1.00 64.33 O ATOM 537 CB LYS A 45 7.188 -17.459 -16.141 1.00 42.25 C ATOM 538 CG LYS A 45 7.290 -17.670 -14.641 1.00 10.12 C ATOM 539 CD LYS A 45 8.685 -17.357 -14.127 1.00 3.30 C ATOM 540 CE LYS A 45 9.700 -18.381 -14.611 1.00 44.54 C ATOM 541 NZ LYS A 45 10.659 -18.762 -13.538 1.00 31.35 N ATOM 0 H LYS A 45 7.029 -14.420 -15.221 1.00 3.00 H new ATOM 0 HA LYS A 45 8.382 -15.695 -16.437 1.00 11.13 H new ATOM 0 HB2 LYS A 45 6.223 -17.829 -16.486 1.00 42.25 H new ATOM 0 HB3 LYS A 45 7.954 -18.056 -16.636 1.00 42.25 H new ATOM 0 HG2 LYS A 45 6.563 -17.036 -14.133 1.00 10.12 H new ATOM 0 HG3 LYS A 45 7.036 -18.702 -14.400 1.00 10.12 H new ATOM 0 HD2 LYS A 45 8.982 -16.363 -14.461 1.00 3.30 H new ATOM 0 HD3 LYS A 45 8.677 -17.338 -13.037 1.00 3.30 H new ATOM 0 HE2 LYS A 45 9.178 -19.270 -14.964 1.00 44.54 H new ATOM 0 HE3 LYS A 45 10.249 -17.975 -15.461 1.00 44.54 H new ATOM 0 HZ1 LYS A 45 11.334 -19.461 -13.908 1.00 31.35 H new ATOM 0 HZ2 LYS A 45 11.175 -17.918 -13.218 1.00 31.35 H new ATOM 0 HZ3 LYS A 45 10.138 -19.173 -12.737 1.00 31.35 H new ATOM 555 N LEU A 46 7.028 -14.610 -18.531 1.00 72.44 N ATOM 556 CA LEU A 46 6.702 -14.329 -19.925 1.00 51.22 C ATOM 557 C LEU A 46 7.852 -13.604 -20.618 1.00 33.23 C ATOM 558 O LEU A 46 8.709 -12.995 -19.978 1.00 22.03 O ATOM 559 CB LEU A 46 5.428 -13.487 -20.011 1.00 53.44 C ATOM 560 CG LEU A 46 4.109 -14.259 -19.968 1.00 54.21 C ATOM 561 CD1 LEU A 46 3.089 -13.526 -19.110 1.00 40.12 C ATOM 562 CD2 LEU A 46 3.569 -14.473 -21.375 1.00 4.40 C ATOM 0 H LEU A 46 7.293 -13.790 -17.986 1.00 72.44 H new ATOM 0 HA LEU A 46 6.538 -15.279 -20.433 1.00 51.22 H new ATOM 0 HB2 LEU A 46 5.434 -12.771 -19.189 1.00 53.44 H new ATOM 0 HB3 LEU A 46 5.459 -12.911 -20.936 1.00 53.44 H new ATOM 0 HG LEU A 46 4.297 -15.235 -19.520 1.00 54.21 H new ATOM 0 HD11 LEU A 46 2.157 -14.090 -19.091 1.00 40.12 H new ATOM 0 HD12 LEU A 46 3.473 -13.425 -18.095 1.00 40.12 H new ATOM 0 HD13 LEU A 46 2.906 -12.536 -19.528 1.00 40.12 H new ATOM 0 HD21 LEU A 46 2.630 -15.024 -21.324 1.00 4.40 H new ATOM 0 HD22 LEU A 46 3.398 -13.507 -21.850 1.00 4.40 H new ATOM 0 HD23 LEU A 46 4.292 -15.041 -21.960 1.00 4.40 H new ATOM 574 N PRO A 47 7.871 -13.669 -21.957 1.00 51.33 N ATOM 575 CA PRO A 47 8.909 -13.022 -22.766 1.00 74.21 C ATOM 576 C PRO A 47 8.798 -11.502 -22.743 1.00 51.52 C ATOM 577 O PRO A 47 7.853 -10.916 -23.273 1.00 4.20 O ATOM 578 CB PRO A 47 8.644 -13.556 -24.176 1.00 34.41 C ATOM 579 CG PRO A 47 7.197 -13.913 -24.180 1.00 41.13 C ATOM 580 CD PRO A 47 6.881 -14.377 -22.786 1.00 31.45 C ATOM 0 HA PRO A 47 9.910 -13.240 -22.394 1.00 74.21 H new ATOM 0 HB2 PRO A 47 8.868 -12.804 -24.933 1.00 34.41 H new ATOM 0 HB3 PRO A 47 9.267 -14.424 -24.394 1.00 34.41 H new ATOM 0 HG2 PRO A 47 6.584 -13.054 -24.454 1.00 41.13 H new ATOM 0 HG3 PRO A 47 6.991 -14.697 -24.908 1.00 41.13 H new ATOM 0 HD2 PRO A 47 5.861 -14.122 -22.499 1.00 31.45 H new ATOM 0 HD3 PRO A 47 6.978 -15.459 -22.691 1.00 31.45 H new ATOM 588 N PRO A 48 9.785 -10.845 -22.116 1.00 11.13 N ATOM 589 CA PRO A 48 9.821 -9.383 -22.010 1.00 30.31 C ATOM 590 C PRO A 48 10.094 -8.712 -23.351 1.00 42.52 C ATOM 591 O PRO A 48 9.703 -7.565 -23.573 1.00 64.42 O ATOM 592 CB PRO A 48 10.976 -9.126 -21.038 1.00 75.42 C ATOM 593 CG PRO A 48 11.856 -10.321 -21.172 1.00 41.41 C ATOM 594 CD PRO A 48 10.942 -11.479 -21.462 1.00 10.23 C ATOM 0 HA PRO A 48 8.867 -8.975 -21.677 1.00 30.31 H new ATOM 0 HB2 PRO A 48 11.510 -8.210 -21.291 1.00 75.42 H new ATOM 0 HB3 PRO A 48 10.615 -9.012 -20.016 1.00 75.42 H new ATOM 0 HG2 PRO A 48 12.580 -10.184 -21.976 1.00 41.41 H new ATOM 0 HG3 PRO A 48 12.424 -10.492 -20.257 1.00 41.41 H new ATOM 0 HD2 PRO A 48 11.418 -12.214 -22.111 1.00 10.23 H new ATOM 0 HD3 PRO A 48 10.652 -12.000 -20.550 1.00 10.23 H new ATOM 602 N ASP A 49 10.767 -9.432 -24.242 1.00 54.21 N ATOM 603 CA ASP A 49 11.091 -8.906 -25.563 1.00 53.50 C ATOM 604 C ASP A 49 9.824 -8.512 -26.317 1.00 62.41 C ATOM 605 O ASP A 49 9.782 -7.480 -26.987 1.00 42.12 O ATOM 606 CB ASP A 49 11.878 -9.940 -26.368 1.00 63.14 C ATOM 607 CG ASP A 49 11.081 -11.203 -26.625 1.00 74.43 C ATOM 608 OD1 ASP A 49 10.977 -12.037 -25.702 1.00 32.05 O ATOM 609 OD2 ASP A 49 10.561 -11.359 -27.750 1.00 52.13 O ATOM 0 H ASP A 49 11.099 -10.382 -24.073 1.00 54.21 H new ATOM 0 HA ASP A 49 11.706 -8.015 -25.432 1.00 53.50 H new ATOM 0 HB2 ASP A 49 12.178 -9.503 -27.321 1.00 63.14 H new ATOM 0 HB3 ASP A 49 12.793 -10.194 -25.832 1.00 63.14 H new ATOM 614 N THR A 50 8.792 -9.343 -26.204 1.00 64.14 N ATOM 615 CA THR A 50 7.526 -9.084 -26.877 1.00 34.02 C ATOM 616 C THR A 50 6.424 -8.766 -25.872 1.00 25.33 C ATOM 617 O THR A 50 5.295 -9.241 -26.000 1.00 44.04 O ATOM 618 CB THR A 50 7.090 -10.286 -27.736 1.00 55.20 C ATOM 619 OG1 THR A 50 7.189 -11.494 -26.974 1.00 72.34 O ATOM 620 CG2 THR A 50 7.948 -10.397 -28.987 1.00 2.32 C ATOM 0 H THR A 50 8.809 -10.201 -25.653 1.00 64.14 H new ATOM 0 HA THR A 50 7.683 -8.222 -27.525 1.00 34.02 H new ATOM 0 HB THR A 50 6.054 -10.132 -28.038 1.00 55.20 H new ATOM 0 HG1 THR A 50 6.399 -12.050 -27.138 1.00 72.34 H new ATOM 0 HG21 THR A 50 7.621 -11.253 -29.577 1.00 2.32 H new ATOM 0 HG22 THR A 50 7.847 -9.488 -29.579 1.00 2.32 H new ATOM 0 HG23 THR A 50 8.992 -10.530 -28.702 1.00 2.32 H new ATOM 628 N THR A 51 6.759 -7.959 -24.870 1.00 21.24 N ATOM 629 CA THR A 51 5.799 -7.578 -23.842 1.00 34.23 C ATOM 630 C THR A 51 5.979 -6.121 -23.434 1.00 1.42 C ATOM 631 O THR A 51 7.103 -5.624 -23.351 1.00 55.23 O ATOM 632 CB THR A 51 5.930 -8.469 -22.592 1.00 60.31 C ATOM 633 OG1 THR A 51 5.544 -9.812 -22.905 1.00 71.12 O ATOM 634 CG2 THR A 51 5.067 -7.940 -21.457 1.00 1.32 C ATOM 0 H THR A 51 7.688 -7.557 -24.749 1.00 21.24 H new ATOM 0 HA THR A 51 4.807 -7.712 -24.272 1.00 34.23 H new ATOM 0 HB THR A 51 6.972 -8.456 -22.272 1.00 60.31 H new ATOM 0 HG1 THR A 51 6.345 -10.359 -23.041 1.00 71.12 H new ATOM 0 HG21 THR A 51 5.176 -8.586 -20.586 1.00 1.32 H new ATOM 0 HG22 THR A 51 5.382 -6.929 -21.201 1.00 1.32 H new ATOM 0 HG23 THR A 51 4.023 -7.926 -21.770 1.00 1.32 H new ATOM 642 N ARG A 52 4.866 -5.440 -23.179 1.00 23.21 N ATOM 643 CA ARG A 52 4.902 -4.038 -22.780 1.00 24.53 C ATOM 644 C ARG A 52 3.958 -3.782 -21.609 1.00 23.24 C ATOM 645 O ARG A 52 3.095 -4.605 -21.301 1.00 61.54 O ATOM 646 CB ARG A 52 4.525 -3.140 -23.959 1.00 73.31 C ATOM 647 CG ARG A 52 5.669 -2.895 -24.929 1.00 3.34 C ATOM 648 CD ARG A 52 5.487 -1.588 -25.686 1.00 24.53 C ATOM 649 NE ARG A 52 5.770 -1.738 -27.111 1.00 1.23 N ATOM 650 CZ ARG A 52 6.062 -0.720 -27.913 1.00 11.13 C ATOM 651 NH1 ARG A 52 6.109 0.515 -27.432 1.00 25.32 N ATOM 652 NH2 ARG A 52 6.307 -0.936 -29.199 1.00 23.13 N ATOM 0 H ARG A 52 3.928 -5.837 -23.242 1.00 23.21 H new ATOM 0 HA ARG A 52 5.918 -3.802 -22.464 1.00 24.53 H new ATOM 0 HB2 ARG A 52 3.693 -3.593 -24.498 1.00 73.31 H new ATOM 0 HB3 ARG A 52 4.173 -2.182 -23.577 1.00 73.31 H new ATOM 0 HG2 ARG A 52 6.612 -2.872 -24.383 1.00 3.34 H new ATOM 0 HG3 ARG A 52 5.731 -3.721 -25.637 1.00 3.34 H new ATOM 0 HD2 ARG A 52 4.465 -1.232 -25.555 1.00 24.53 H new ATOM 0 HD3 ARG A 52 6.146 -0.829 -25.263 1.00 24.53 H new ATOM 0 HE ARG A 52 5.742 -2.675 -27.512 1.00 1.23 H new ATOM 0 HH11 ARG A 52 5.921 0.685 -26.444 1.00 25.32 H new ATOM 0 HH12 ARG A 52 6.333 1.295 -28.050 1.00 25.32 H new ATOM 0 HH21 ARG A 52 6.271 -1.884 -29.573 1.00 23.13 H new ATOM 0 HH22 ARG A 52 6.531 -0.154 -29.814 1.00 23.13 H new ATOM 666 N LEU A 53 4.128 -2.636 -20.958 1.00 64.43 N ATOM 667 CA LEU A 53 3.292 -2.271 -19.820 1.00 60.22 C ATOM 668 C LEU A 53 2.718 -0.869 -19.994 1.00 51.22 C ATOM 669 O LEU A 53 3.431 0.065 -20.362 1.00 3.32 O ATOM 670 CB LEU A 53 4.100 -2.347 -18.523 1.00 51.34 C ATOM 671 CG LEU A 53 3.570 -1.517 -17.353 1.00 43.35 C ATOM 672 CD1 LEU A 53 2.159 -1.949 -16.988 1.00 53.12 C ATOM 673 CD2 LEU A 53 4.495 -1.639 -16.151 1.00 43.43 C ATOM 0 H LEU A 53 4.837 -1.944 -21.199 1.00 64.43 H new ATOM 0 HA LEU A 53 2.464 -2.978 -19.767 1.00 60.22 H new ATOM 0 HB2 LEU A 53 4.149 -3.390 -18.210 1.00 51.34 H new ATOM 0 HB3 LEU A 53 5.121 -2.029 -18.735 1.00 51.34 H new ATOM 0 HG LEU A 53 3.540 -0.471 -17.659 1.00 43.35 H new ATOM 0 HD11 LEU A 53 1.799 -1.347 -16.154 1.00 53.12 H new ATOM 0 HD12 LEU A 53 1.502 -1.809 -17.847 1.00 53.12 H new ATOM 0 HD13 LEU A 53 2.163 -3.001 -16.702 1.00 53.12 H new ATOM 0 HD21 LEU A 53 4.103 -1.042 -15.328 1.00 43.43 H new ATOM 0 HD22 LEU A 53 4.557 -2.683 -15.844 1.00 43.43 H new ATOM 0 HD23 LEU A 53 5.489 -1.279 -16.419 1.00 43.43 H new ATOM 685 N THR A 54 1.424 -0.727 -19.726 1.00 35.25 N ATOM 686 CA THR A 54 0.753 0.561 -19.851 1.00 64.11 C ATOM 687 C THR A 54 0.005 0.918 -18.572 1.00 40.31 C ATOM 688 O THR A 54 -0.463 0.039 -17.849 1.00 32.22 O ATOM 689 CB THR A 54 -0.237 0.566 -21.031 1.00 14.04 C ATOM 690 OG1 THR A 54 -1.072 -0.596 -20.975 1.00 24.53 O ATOM 691 CG2 THR A 54 0.503 0.602 -22.359 1.00 71.30 C ATOM 0 H THR A 54 0.819 -1.489 -19.421 1.00 35.25 H new ATOM 0 HA THR A 54 1.528 1.305 -20.034 1.00 64.11 H new ATOM 0 HB THR A 54 -0.855 1.461 -20.954 1.00 14.04 H new ATOM 0 HG1 THR A 54 -1.700 -0.584 -21.728 1.00 24.53 H new ATOM 0 HG21 THR A 54 -0.217 0.605 -23.177 1.00 71.30 H new ATOM 0 HG22 THR A 54 1.114 1.503 -22.411 1.00 71.30 H new ATOM 0 HG23 THR A 54 1.143 -0.276 -22.443 1.00 71.30 H new ATOM 699 N TYR A 55 -0.105 2.214 -18.299 1.00 62.40 N ATOM 700 CA TYR A 55 -0.795 2.687 -17.105 1.00 54.24 C ATOM 701 C TYR A 55 -1.682 3.886 -17.428 1.00 43.24 C ATOM 702 O TYR A 55 -1.229 4.868 -18.018 1.00 22.14 O ATOM 703 CB TYR A 55 0.216 3.064 -16.021 1.00 72.32 C ATOM 704 CG TYR A 55 -0.408 3.736 -14.819 1.00 23.11 C ATOM 705 CD1 TYR A 55 -1.480 3.156 -14.152 1.00 41.21 C ATOM 706 CD2 TYR A 55 0.076 4.951 -14.349 1.00 64.30 C ATOM 707 CE1 TYR A 55 -2.053 3.767 -13.054 1.00 1.32 C ATOM 708 CE2 TYR A 55 -0.489 5.568 -13.250 1.00 54.44 C ATOM 709 CZ TYR A 55 -1.554 4.973 -12.607 1.00 11.03 C ATOM 710 OH TYR A 55 -2.121 5.584 -11.512 1.00 13.30 O ATOM 0 H TYR A 55 0.275 2.955 -18.888 1.00 62.40 H new ATOM 0 HA TYR A 55 -1.427 1.878 -16.737 1.00 54.24 H new ATOM 0 HB2 TYR A 55 0.738 2.165 -15.694 1.00 72.32 H new ATOM 0 HB3 TYR A 55 0.965 3.729 -16.450 1.00 72.32 H new ATOM 0 HD1 TYR A 55 -1.872 2.211 -14.498 1.00 41.21 H new ATOM 0 HD2 TYR A 55 0.908 5.421 -14.852 1.00 64.30 H new ATOM 0 HE1 TYR A 55 -2.887 3.303 -12.548 1.00 1.32 H new ATOM 0 HE2 TYR A 55 -0.099 6.511 -12.896 1.00 54.44 H new ATOM 0 HH TYR A 55 -2.414 4.902 -10.872 1.00 13.30 H new ATOM 720 N LYS A 56 -2.949 3.799 -17.038 1.00 4.45 N ATOM 721 CA LYS A 56 -3.901 4.876 -17.282 1.00 42.22 C ATOM 722 C LYS A 56 -3.958 5.225 -18.766 1.00 74.10 C ATOM 723 O LYS A 56 -4.147 6.383 -19.134 1.00 44.55 O ATOM 724 CB LYS A 56 -3.520 6.116 -16.470 1.00 45.24 C ATOM 725 CG LYS A 56 -4.715 6.927 -16.001 1.00 20.02 C ATOM 726 CD LYS A 56 -4.559 8.399 -16.342 1.00 2.42 C ATOM 727 CE LYS A 56 -5.354 8.771 -17.584 1.00 15.45 C ATOM 728 NZ LYS A 56 -4.586 9.673 -18.486 1.00 24.14 N ATOM 0 H LYS A 56 -3.341 2.993 -16.551 1.00 4.45 H new ATOM 0 HA LYS A 56 -4.887 4.533 -16.969 1.00 42.22 H new ATOM 0 HB2 LYS A 56 -2.938 5.807 -15.602 1.00 45.24 H new ATOM 0 HB3 LYS A 56 -2.875 6.752 -17.076 1.00 45.24 H new ATOM 0 HG2 LYS A 56 -5.623 6.540 -16.464 1.00 20.02 H new ATOM 0 HG3 LYS A 56 -4.833 6.813 -14.923 1.00 20.02 H new ATOM 0 HD2 LYS A 56 -4.892 9.006 -15.500 1.00 2.42 H new ATOM 0 HD3 LYS A 56 -3.505 8.627 -16.502 1.00 2.42 H new ATOM 0 HE2 LYS A 56 -5.628 7.865 -18.124 1.00 15.45 H new ATOM 0 HE3 LYS A 56 -6.283 9.259 -17.288 1.00 15.45 H new ATOM 0 HZ1 LYS A 56 -5.163 9.903 -19.320 1.00 24.14 H new ATOM 0 HZ2 LYS A 56 -4.346 10.549 -17.979 1.00 24.14 H new ATOM 0 HZ3 LYS A 56 -3.712 9.198 -18.790 1.00 24.14 H new ATOM 742 N GLY A 57 -3.796 4.213 -19.614 1.00 14.50 N ATOM 743 CA GLY A 57 -3.835 4.434 -21.048 1.00 2.22 C ATOM 744 C GLY A 57 -2.613 5.175 -21.553 1.00 63.12 C ATOM 745 O GLY A 57 -2.596 5.658 -22.686 1.00 25.34 O ATOM 0 H GLY A 57 -3.639 3.245 -19.333 1.00 14.50 H new ATOM 0 HA2 GLY A 57 -3.911 3.474 -21.559 1.00 2.22 H new ATOM 0 HA3 GLY A 57 -4.731 5.001 -21.301 1.00 2.22 H new ATOM 749 N ARG A 58 -1.588 5.267 -20.712 1.00 32.34 N ATOM 750 CA ARG A 58 -0.358 5.957 -21.079 1.00 25.24 C ATOM 751 C ARG A 58 0.838 5.012 -21.004 1.00 44.03 C ATOM 752 O ARG A 58 0.826 4.037 -20.254 1.00 0.15 O ATOM 753 CB ARG A 58 -0.129 7.159 -20.161 1.00 1.30 C ATOM 754 CG ARG A 58 0.275 8.423 -20.903 1.00 15.35 C ATOM 755 CD ARG A 58 -0.062 9.671 -20.101 1.00 21.12 C ATOM 756 NE ARG A 58 1.136 10.402 -19.698 1.00 44.32 N ATOM 757 CZ ARG A 58 1.858 11.145 -20.530 1.00 63.20 C ATOM 758 NH1 ARG A 58 1.505 11.254 -21.803 1.00 71.12 N ATOM 759 NH2 ARG A 58 2.936 11.781 -20.089 1.00 21.45 N ATOM 0 H ARG A 58 -1.585 4.872 -19.772 1.00 32.34 H new ATOM 0 HA ARG A 58 -0.460 6.307 -22.106 1.00 25.24 H new ATOM 0 HB2 ARG A 58 -1.041 7.354 -19.598 1.00 1.30 H new ATOM 0 HB3 ARG A 58 0.646 6.910 -19.436 1.00 1.30 H new ATOM 0 HG2 ARG A 58 1.345 8.399 -21.109 1.00 15.35 H new ATOM 0 HG3 ARG A 58 -0.234 8.459 -21.866 1.00 15.35 H new ATOM 0 HD2 ARG A 58 -0.701 10.323 -20.696 1.00 21.12 H new ATOM 0 HD3 ARG A 58 -0.631 9.390 -19.215 1.00 21.12 H new ATOM 0 HE ARG A 58 1.435 10.339 -18.725 1.00 44.32 H new ATOM 0 HH11 ARG A 58 0.677 10.767 -22.146 1.00 71.12 H new ATOM 0 HH12 ARG A 58 2.061 11.825 -22.439 1.00 71.12 H new ATOM 0 HH21 ARG A 58 3.211 11.700 -19.110 1.00 21.45 H new ATOM 0 HH22 ARG A 58 3.489 12.351 -20.729 1.00 21.45 H new ATOM 773 N ALA A 59 1.870 5.308 -21.789 1.00 14.24 N ATOM 774 CA ALA A 59 3.073 4.487 -21.811 1.00 24.34 C ATOM 775 C ALA A 59 4.209 5.156 -21.043 1.00 34.40 C ATOM 776 O ALA A 59 4.652 6.249 -21.398 1.00 23.52 O ATOM 777 CB ALA A 59 3.496 4.208 -23.245 1.00 42.24 C ATOM 0 H ALA A 59 1.896 6.111 -22.418 1.00 14.24 H new ATOM 0 HA ALA A 59 2.846 3.541 -21.320 1.00 24.34 H new ATOM 0 HB1 ALA A 59 4.396 3.594 -23.246 1.00 42.24 H new ATOM 0 HB2 ALA A 59 2.696 3.680 -23.764 1.00 42.24 H new ATOM 0 HB3 ALA A 59 3.699 5.150 -23.754 1.00 42.24 H new ATOM 783 N LEU A 60 4.674 4.494 -19.989 1.00 64.15 N ATOM 784 CA LEU A 60 5.758 5.025 -19.170 1.00 45.04 C ATOM 785 C LEU A 60 7.029 4.199 -19.346 1.00 35.33 C ATOM 786 O LEU A 60 6.971 3.014 -19.676 1.00 41.12 O ATOM 787 CB LEU A 60 5.348 5.044 -17.697 1.00 3.51 C ATOM 788 CG LEU A 60 4.367 6.144 -17.288 1.00 22.43 C ATOM 789 CD1 LEU A 60 2.953 5.591 -17.198 1.00 63.31 C ATOM 790 CD2 LEU A 60 4.784 6.764 -15.962 1.00 41.23 C ATOM 0 H LEU A 60 4.317 3.589 -19.682 1.00 64.15 H new ATOM 0 HA LEU A 60 5.962 6.045 -19.497 1.00 45.04 H new ATOM 0 HB2 LEU A 60 4.904 4.079 -17.451 1.00 3.51 H new ATOM 0 HB3 LEU A 60 6.248 5.144 -17.091 1.00 3.51 H new ATOM 0 HG LEU A 60 4.384 6.922 -18.051 1.00 22.43 H new ATOM 0 HD11 LEU A 60 2.269 6.388 -16.906 1.00 63.31 H new ATOM 0 HD12 LEU A 60 2.655 5.194 -18.169 1.00 63.31 H new ATOM 0 HD13 LEU A 60 2.921 4.794 -16.455 1.00 63.31 H new ATOM 0 HD21 LEU A 60 4.075 7.545 -15.686 1.00 41.23 H new ATOM 0 HD22 LEU A 60 4.796 5.996 -15.189 1.00 41.23 H new ATOM 0 HD23 LEU A 60 5.780 7.196 -16.060 1.00 41.23 H new ATOM 802 N LYS A 61 8.175 4.831 -19.120 1.00 63.12 N ATOM 803 CA LYS A 61 9.461 4.155 -19.249 1.00 75.43 C ATOM 804 C LYS A 61 10.580 4.992 -18.638 1.00 74.31 C ATOM 805 O LYS A 61 11.057 4.701 -17.541 1.00 61.42 O ATOM 806 CB LYS A 61 9.766 3.873 -20.722 1.00 62.12 C ATOM 807 CG LYS A 61 8.986 4.752 -21.684 1.00 42.22 C ATOM 808 CD LYS A 61 9.491 4.603 -23.110 1.00 12.43 C ATOM 809 CE LYS A 61 9.006 3.307 -23.740 1.00 70.21 C ATOM 810 NZ LYS A 61 8.674 3.481 -25.181 1.00 62.13 N ATOM 0 H LYS A 61 8.240 5.811 -18.846 1.00 63.12 H new ATOM 0 HA LYS A 61 9.402 3.210 -18.709 1.00 75.43 H new ATOM 0 HB2 LYS A 61 10.832 4.015 -20.897 1.00 62.12 H new ATOM 0 HB3 LYS A 61 9.544 2.828 -20.937 1.00 62.12 H new ATOM 0 HG2 LYS A 61 7.929 4.490 -21.642 1.00 42.22 H new ATOM 0 HG3 LYS A 61 9.069 5.794 -21.375 1.00 42.22 H new ATOM 0 HD2 LYS A 61 9.151 5.449 -23.708 1.00 12.43 H new ATOM 0 HD3 LYS A 61 10.581 4.626 -23.116 1.00 12.43 H new ATOM 0 HE2 LYS A 61 9.775 2.542 -23.634 1.00 70.21 H new ATOM 0 HE3 LYS A 61 8.126 2.950 -23.205 1.00 70.21 H new ATOM 0 HZ1 LYS A 61 8.347 2.575 -25.574 1.00 62.13 H new ATOM 0 HZ2 LYS A 61 7.922 4.193 -25.281 1.00 62.13 H new ATOM 0 HZ3 LYS A 61 9.520 3.797 -25.697 1.00 62.13 H new ATOM 824 N ASP A 62 10.992 6.032 -19.353 1.00 42.15 N ATOM 825 CA ASP A 62 12.053 6.913 -18.880 1.00 4.11 C ATOM 826 C ASP A 62 11.536 7.852 -17.794 1.00 44.04 C ATOM 827 O ASP A 62 12.302 8.608 -17.196 1.00 11.53 O ATOM 828 CB ASP A 62 12.628 7.725 -20.042 1.00 24.50 C ATOM 829 CG ASP A 62 13.412 6.866 -21.016 1.00 13.23 C ATOM 830 OD1 ASP A 62 14.149 5.969 -20.556 1.00 74.41 O ATOM 831 OD2 ASP A 62 13.287 7.091 -22.238 1.00 1.55 O ATOM 0 H ASP A 62 10.607 6.286 -20.263 1.00 42.15 H new ATOM 0 HA ASP A 62 12.842 6.294 -18.454 1.00 4.11 H new ATOM 0 HB2 ASP A 62 11.815 8.221 -20.572 1.00 24.50 H new ATOM 0 HB3 ASP A 62 13.277 8.508 -19.649 1.00 24.50 H new ATOM 836 N THR A 63 10.231 7.799 -17.546 1.00 4.33 N ATOM 837 CA THR A 63 9.611 8.646 -16.534 1.00 43.05 C ATOM 838 C THR A 63 10.234 8.411 -15.163 1.00 61.32 C ATOM 839 O THR A 63 10.120 9.248 -14.268 1.00 71.43 O ATOM 840 CB THR A 63 8.094 8.396 -16.446 1.00 51.33 C ATOM 841 OG1 THR A 63 7.723 7.319 -17.314 1.00 25.02 O ATOM 842 CG2 THR A 63 7.317 9.648 -16.824 1.00 14.33 C ATOM 0 H THR A 63 9.583 7.179 -18.032 1.00 4.33 H new ATOM 0 HA THR A 63 9.785 9.679 -16.836 1.00 43.05 H new ATOM 0 HB THR A 63 7.851 8.133 -15.417 1.00 51.33 H new ATOM 0 HG1 THR A 63 6.964 7.594 -17.870 1.00 25.02 H new ATOM 0 HG21 THR A 63 6.248 9.448 -16.755 1.00 14.33 H new ATOM 0 HG22 THR A 63 7.579 10.458 -16.144 1.00 14.33 H new ATOM 0 HG23 THR A 63 7.566 9.937 -17.845 1.00 14.33 H new ATOM 850 N GLU A 64 10.893 7.267 -15.006 1.00 3.00 N ATOM 851 CA GLU A 64 11.534 6.923 -13.742 1.00 41.01 C ATOM 852 C GLU A 64 10.497 6.750 -12.636 1.00 4.43 C ATOM 853 O GLU A 64 10.104 5.631 -12.306 1.00 71.11 O ATOM 854 CB GLU A 64 12.544 8.002 -13.346 1.00 53.52 C ATOM 855 CG GLU A 64 13.988 7.611 -13.610 1.00 0.04 C ATOM 856 CD GLU A 64 14.941 8.158 -12.564 1.00 74.41 C ATOM 857 OE1 GLU A 64 14.962 9.391 -12.369 1.00 44.14 O ATOM 858 OE2 GLU A 64 15.664 7.353 -11.941 1.00 70.11 O ATOM 0 H GLU A 64 10.997 6.564 -15.737 1.00 3.00 H new ATOM 0 HA GLU A 64 12.059 5.977 -13.876 1.00 41.01 H new ATOM 0 HB2 GLU A 64 12.318 8.917 -13.893 1.00 53.52 H new ATOM 0 HB3 GLU A 64 12.425 8.227 -12.286 1.00 53.52 H new ATOM 0 HG2 GLU A 64 14.067 6.524 -13.636 1.00 0.04 H new ATOM 0 HG3 GLU A 64 14.285 7.976 -14.593 1.00 0.04 H new ATOM 865 N THR A 65 10.058 7.868 -12.064 1.00 65.24 N ATOM 866 CA THR A 65 9.069 7.842 -10.994 1.00 64.53 C ATOM 867 C THR A 65 7.676 8.159 -11.525 1.00 62.13 C ATOM 868 O THR A 65 7.528 8.753 -12.594 1.00 44.21 O ATOM 869 CB THR A 65 9.422 8.844 -9.879 1.00 31.31 C ATOM 870 OG1 THR A 65 8.358 8.906 -8.922 1.00 64.21 O ATOM 871 CG2 THR A 65 9.674 10.229 -10.456 1.00 35.35 C ATOM 0 H THR A 65 10.373 8.803 -12.325 1.00 65.24 H new ATOM 0 HA THR A 65 9.076 6.833 -10.581 1.00 64.53 H new ATOM 0 HB THR A 65 10.333 8.502 -9.388 1.00 31.31 H new ATOM 0 HG1 THR A 65 8.725 8.816 -8.018 1.00 64.21 H new ATOM 0 HG21 THR A 65 9.921 10.920 -9.650 1.00 35.35 H new ATOM 0 HG22 THR A 65 10.503 10.184 -11.162 1.00 35.35 H new ATOM 0 HG23 THR A 65 8.778 10.578 -10.970 1.00 35.35 H new ATOM 879 N LEU A 66 6.657 7.760 -10.773 1.00 54.11 N ATOM 880 CA LEU A 66 5.273 8.003 -11.168 1.00 64.01 C ATOM 881 C LEU A 66 4.584 8.946 -10.187 1.00 24.34 C ATOM 882 O LEU A 66 3.443 9.352 -10.400 1.00 35.34 O ATOM 883 CB LEU A 66 4.506 6.682 -11.249 1.00 11.34 C ATOM 884 CG LEU A 66 3.752 6.423 -12.553 1.00 60.44 C ATOM 885 CD1 LEU A 66 3.581 4.929 -12.783 1.00 32.03 C ATOM 886 CD2 LEU A 66 2.400 7.120 -12.536 1.00 35.23 C ATOM 0 H LEU A 66 6.762 7.267 -9.886 1.00 54.11 H new ATOM 0 HA LEU A 66 5.279 8.473 -12.151 1.00 64.01 H new ATOM 0 HB2 LEU A 66 5.211 5.866 -11.092 1.00 11.34 H new ATOM 0 HB3 LEU A 66 3.791 6.649 -10.427 1.00 11.34 H new ATOM 0 HG LEU A 66 4.338 6.832 -13.376 1.00 60.44 H new ATOM 0 HD11 LEU A 66 3.042 4.764 -13.716 1.00 32.03 H new ATOM 0 HD12 LEU A 66 4.561 4.455 -12.841 1.00 32.03 H new ATOM 0 HD13 LEU A 66 3.017 4.496 -11.957 1.00 32.03 H new ATOM 0 HD21 LEU A 66 1.878 6.924 -13.473 1.00 35.23 H new ATOM 0 HD22 LEU A 66 1.806 6.742 -11.704 1.00 35.23 H new ATOM 0 HD23 LEU A 66 2.546 8.194 -12.420 1.00 35.23 H new ATOM 898 N GLU A 67 5.288 9.291 -9.113 1.00 34.14 N ATOM 899 CA GLU A 67 4.743 10.187 -8.100 1.00 1.35 C ATOM 900 C GLU A 67 4.349 11.527 -8.714 1.00 0.41 C ATOM 901 O GLU A 67 3.325 12.109 -8.356 1.00 2.41 O ATOM 902 CB GLU A 67 5.763 10.407 -6.980 1.00 52.21 C ATOM 903 CG GLU A 67 7.059 11.043 -7.454 1.00 22.42 C ATOM 904 CD GLU A 67 7.082 12.545 -7.247 1.00 24.42 C ATOM 905 OE1 GLU A 67 5.993 13.142 -7.116 1.00 22.33 O ATOM 906 OE2 GLU A 67 8.189 13.123 -7.216 1.00 74.11 O ATOM 0 H GLU A 67 6.235 8.964 -8.922 1.00 34.14 H new ATOM 0 HA GLU A 67 3.850 9.722 -7.683 1.00 1.35 H new ATOM 0 HB2 GLU A 67 5.317 11.040 -6.213 1.00 52.21 H new ATOM 0 HB3 GLU A 67 5.988 9.449 -6.512 1.00 52.21 H new ATOM 0 HG2 GLU A 67 7.896 10.594 -6.920 1.00 22.42 H new ATOM 0 HG3 GLU A 67 7.201 10.824 -8.512 1.00 22.42 H new ATOM 913 N SER A 68 5.170 12.011 -9.641 1.00 11.13 N ATOM 914 CA SER A 68 4.910 13.284 -10.302 1.00 44.43 C ATOM 915 C SER A 68 3.692 13.184 -11.215 1.00 63.23 C ATOM 916 O SER A 68 3.128 14.197 -11.632 1.00 24.23 O ATOM 917 CB SER A 68 6.133 13.722 -11.111 1.00 63.40 C ATOM 918 OG SER A 68 6.742 14.866 -10.537 1.00 74.24 O ATOM 0 H SER A 68 6.020 11.541 -9.951 1.00 11.13 H new ATOM 0 HA SER A 68 4.706 14.029 -9.533 1.00 44.43 H new ATOM 0 HB2 SER A 68 6.854 12.906 -11.156 1.00 63.40 H new ATOM 0 HB3 SER A 68 5.835 13.941 -12.136 1.00 63.40 H new ATOM 0 HG SER A 68 7.522 15.124 -11.072 1.00 74.24 H new ATOM 924 N LEU A 69 3.291 11.955 -11.523 1.00 4.30 N ATOM 925 CA LEU A 69 2.140 11.720 -12.387 1.00 13.21 C ATOM 926 C LEU A 69 0.897 11.399 -11.563 1.00 21.14 C ATOM 927 O LEU A 69 -0.222 11.426 -12.072 1.00 73.31 O ATOM 928 CB LEU A 69 2.431 10.575 -13.358 1.00 43.03 C ATOM 929 CG LEU A 69 3.140 10.961 -14.657 1.00 62.31 C ATOM 930 CD1 LEU A 69 4.379 11.793 -14.363 1.00 32.55 C ATOM 931 CD2 LEU A 69 3.508 9.717 -15.454 1.00 13.24 C ATOM 0 H LEU A 69 3.746 11.106 -11.187 1.00 4.30 H new ATOM 0 HA LEU A 69 1.952 12.631 -12.955 1.00 13.21 H new ATOM 0 HB2 LEU A 69 3.040 9.833 -12.842 1.00 43.03 H new ATOM 0 HB3 LEU A 69 1.488 10.092 -13.612 1.00 43.03 H new ATOM 0 HG LEU A 69 2.457 11.563 -15.256 1.00 62.31 H new ATOM 0 HD11 LEU A 69 4.870 12.058 -15.299 1.00 32.55 H new ATOM 0 HD12 LEU A 69 4.090 12.702 -13.835 1.00 32.55 H new ATOM 0 HD13 LEU A 69 5.066 11.216 -13.744 1.00 32.55 H new ATOM 0 HD21 LEU A 69 4.012 10.011 -16.375 1.00 13.24 H new ATOM 0 HD22 LEU A 69 4.173 9.089 -14.861 1.00 13.24 H new ATOM 0 HD23 LEU A 69 2.603 9.160 -15.697 1.00 13.24 H new ATOM 943 N GLY A 70 1.103 11.097 -10.284 1.00 70.01 N ATOM 944 CA GLY A 70 -0.010 10.777 -9.409 1.00 43.20 C ATOM 945 C GLY A 70 -0.042 9.311 -9.024 1.00 3.52 C ATOM 946 O GLY A 70 -0.703 8.504 -9.678 1.00 3.44 O ATOM 0 H GLY A 70 2.020 11.068 -9.839 1.00 70.01 H new ATOM 0 HA2 GLY A 70 0.055 11.385 -8.507 1.00 43.20 H new ATOM 0 HA3 GLY A 70 -0.945 11.040 -9.904 1.00 43.20 H new ATOM 950 N VAL A 71 0.676 8.965 -7.960 1.00 31.01 N ATOM 951 CA VAL A 71 0.728 7.586 -7.489 1.00 13.13 C ATOM 952 C VAL A 71 -0.352 7.321 -6.445 1.00 43.12 C ATOM 953 O VAL A 71 -0.639 8.173 -5.605 1.00 32.44 O ATOM 954 CB VAL A 71 2.104 7.251 -6.884 1.00 61.12 C ATOM 955 CG1 VAL A 71 3.173 7.235 -7.966 1.00 61.22 C ATOM 956 CG2 VAL A 71 2.459 8.243 -5.787 1.00 24.21 C ATOM 0 H VAL A 71 1.229 9.620 -7.408 1.00 31.01 H new ATOM 0 HA VAL A 71 0.556 6.949 -8.356 1.00 13.13 H new ATOM 0 HB VAL A 71 2.055 6.256 -6.441 1.00 61.12 H new ATOM 0 HG11 VAL A 71 4.139 6.997 -7.520 1.00 61.22 H new ATOM 0 HG12 VAL A 71 2.923 6.482 -8.714 1.00 61.22 H new ATOM 0 HG13 VAL A 71 3.225 8.215 -8.441 1.00 61.22 H new ATOM 0 HG21 VAL A 71 3.434 7.991 -5.371 1.00 24.21 H new ATOM 0 HG22 VAL A 71 2.491 9.250 -6.203 1.00 24.21 H new ATOM 0 HG23 VAL A 71 1.706 8.200 -5.000 1.00 24.21 H new ATOM 966 N ALA A 72 -0.946 6.134 -6.505 1.00 70.11 N ATOM 967 CA ALA A 72 -1.992 5.755 -5.564 1.00 13.04 C ATOM 968 C ALA A 72 -1.909 4.272 -5.218 1.00 54.03 C ATOM 969 O ALA A 72 -1.520 3.452 -6.050 1.00 3.11 O ATOM 970 CB ALA A 72 -3.362 6.090 -6.134 1.00 53.31 C ATOM 0 H ALA A 72 -0.720 5.418 -7.196 1.00 70.11 H new ATOM 0 HA ALA A 72 -1.844 6.324 -4.646 1.00 13.04 H new ATOM 0 HB1 ALA A 72 -4.134 5.801 -5.420 1.00 53.31 H new ATOM 0 HB2 ALA A 72 -3.425 7.162 -6.323 1.00 53.31 H new ATOM 0 HB3 ALA A 72 -3.510 5.547 -7.068 1.00 53.31 H new ATOM 976 N ASP A 73 -2.277 3.935 -3.987 1.00 73.32 N ATOM 977 CA ASP A 73 -2.245 2.550 -3.532 1.00 62.40 C ATOM 978 C ASP A 73 -3.258 1.703 -4.296 1.00 20.32 C ATOM 979 O ASP A 73 -4.316 2.189 -4.692 1.00 12.33 O ATOM 980 CB ASP A 73 -2.529 2.477 -2.031 1.00 30.11 C ATOM 981 CG ASP A 73 -2.044 1.181 -1.412 1.00 24.11 C ATOM 982 OD1 ASP A 73 -2.660 0.129 -1.680 1.00 20.42 O ATOM 983 OD2 ASP A 73 -1.048 1.219 -0.659 1.00 1.13 O ATOM 0 H ASP A 73 -2.601 4.602 -3.286 1.00 73.32 H new ATOM 0 HA ASP A 73 -1.248 2.153 -3.725 1.00 62.40 H new ATOM 0 HB2 ASP A 73 -2.047 3.317 -1.532 1.00 30.11 H new ATOM 0 HB3 ASP A 73 -3.601 2.578 -1.862 1.00 30.11 H new ATOM 988 N GLY A 74 -2.925 0.432 -4.500 1.00 71.42 N ATOM 989 CA GLY A 74 -3.816 -0.462 -5.217 1.00 23.30 C ATOM 990 C GLY A 74 -3.903 -0.133 -6.694 1.00 3.41 C ATOM 991 O GLY A 74 -4.889 -0.463 -7.354 1.00 5.55 O ATOM 0 H GLY A 74 -2.055 0.006 -4.182 1.00 71.42 H new ATOM 0 HA2 GLY A 74 -3.470 -1.488 -5.096 1.00 23.30 H new ATOM 0 HA3 GLY A 74 -4.812 -0.408 -4.777 1.00 23.30 H new ATOM 995 N ASP A 75 -2.870 0.521 -7.214 1.00 50.22 N ATOM 996 CA ASP A 75 -2.834 0.897 -8.623 1.00 21.41 C ATOM 997 C ASP A 75 -3.118 -0.309 -9.514 1.00 10.41 C ATOM 998 O ASP A 75 -3.096 -1.452 -9.057 1.00 11.53 O ATOM 999 CB ASP A 75 -1.474 1.499 -8.977 1.00 45.24 C ATOM 1000 CG ASP A 75 -1.566 2.518 -10.096 1.00 5.40 C ATOM 1001 OD1 ASP A 75 -2.646 3.122 -10.262 1.00 35.12 O ATOM 1002 OD2 ASP A 75 -0.556 2.713 -10.805 1.00 54.10 O ATOM 0 H ASP A 75 -2.047 0.802 -6.681 1.00 50.22 H new ATOM 0 HA ASP A 75 -3.609 1.644 -8.795 1.00 21.41 H new ATOM 0 HB2 ASP A 75 -1.048 1.972 -8.092 1.00 45.24 H new ATOM 0 HB3 ASP A 75 -0.792 0.701 -9.271 1.00 45.24 H new ATOM 1007 N LYS A 76 -3.386 -0.046 -10.788 1.00 41.55 N ATOM 1008 CA LYS A 76 -3.675 -1.107 -11.745 1.00 64.41 C ATOM 1009 C LYS A 76 -2.758 -1.009 -12.960 1.00 65.30 C ATOM 1010 O LYS A 76 -2.631 0.052 -13.571 1.00 1.34 O ATOM 1011 CB LYS A 76 -5.137 -1.037 -12.190 1.00 32.41 C ATOM 1012 CG LYS A 76 -6.126 -1.356 -11.082 1.00 1.44 C ATOM 1013 CD LYS A 76 -7.550 -1.426 -11.608 1.00 3.33 C ATOM 1014 CE LYS A 76 -8.020 -2.865 -11.753 1.00 0.11 C ATOM 1015 NZ LYS A 76 -8.645 -3.113 -13.081 1.00 54.34 N ATOM 0 H LYS A 76 -3.409 0.894 -11.182 1.00 41.55 H new ATOM 0 HA LYS A 76 -3.497 -2.063 -11.253 1.00 64.41 H new ATOM 0 HB2 LYS A 76 -5.344 -0.038 -12.574 1.00 32.41 H new ATOM 0 HB3 LYS A 76 -5.291 -1.733 -13.014 1.00 32.41 H new ATOM 0 HG2 LYS A 76 -5.861 -2.307 -10.619 1.00 1.44 H new ATOM 0 HG3 LYS A 76 -6.061 -0.594 -10.305 1.00 1.44 H new ATOM 0 HD2 LYS A 76 -8.216 -0.891 -10.931 1.00 3.33 H new ATOM 0 HD3 LYS A 76 -7.607 -0.924 -12.574 1.00 3.33 H new ATOM 0 HE2 LYS A 76 -7.174 -3.539 -11.618 1.00 0.11 H new ATOM 0 HE3 LYS A 76 -8.738 -3.094 -10.965 1.00 0.11 H new ATOM 0 HZ1 LYS A 76 -8.952 -4.105 -13.140 1.00 54.34 H new ATOM 0 HZ2 LYS A 76 -9.468 -2.488 -13.200 1.00 54.34 H new ATOM 0 HZ3 LYS A 76 -7.952 -2.919 -13.832 1.00 54.34 H new ATOM 1029 N PHE A 77 -2.121 -2.123 -13.307 1.00 22.15 N ATOM 1030 CA PHE A 77 -1.216 -2.162 -14.449 1.00 62.33 C ATOM 1031 C PHE A 77 -1.735 -3.116 -15.522 1.00 3.14 C ATOM 1032 O PHE A 77 -2.343 -4.142 -15.215 1.00 5.41 O ATOM 1033 CB PHE A 77 0.184 -2.591 -14.004 1.00 11.02 C ATOM 1034 CG PHE A 77 1.017 -1.459 -13.474 1.00 63.13 C ATOM 1035 CD1 PHE A 77 1.186 -0.300 -14.215 1.00 34.04 C ATOM 1036 CD2 PHE A 77 1.632 -1.554 -12.236 1.00 51.02 C ATOM 1037 CE1 PHE A 77 1.953 0.743 -13.730 1.00 33.50 C ATOM 1038 CE2 PHE A 77 2.400 -0.514 -11.746 1.00 72.41 C ATOM 1039 CZ PHE A 77 2.559 0.636 -12.494 1.00 24.22 C ATOM 0 H PHE A 77 -2.215 -3.011 -12.813 1.00 22.15 H new ATOM 0 HA PHE A 77 -1.163 -1.159 -14.873 1.00 62.33 H new ATOM 0 HB2 PHE A 77 0.093 -3.357 -13.233 1.00 11.02 H new ATOM 0 HB3 PHE A 77 0.701 -3.048 -14.848 1.00 11.02 H new ATOM 0 HD1 PHE A 77 0.713 -0.211 -15.182 1.00 34.04 H new ATOM 0 HD2 PHE A 77 1.510 -2.451 -11.647 1.00 51.02 H new ATOM 0 HE1 PHE A 77 2.078 1.641 -14.317 1.00 33.50 H new ATOM 0 HE2 PHE A 77 2.875 -0.601 -10.780 1.00 72.41 H new ATOM 0 HZ PHE A 77 3.157 1.451 -12.113 1.00 24.22 H new ATOM 1049 N VAL A 78 -1.491 -2.769 -16.781 1.00 62.25 N ATOM 1050 CA VAL A 78 -1.932 -3.593 -17.900 1.00 73.33 C ATOM 1051 C VAL A 78 -0.748 -4.254 -18.597 1.00 32.42 C ATOM 1052 O VAL A 78 0.156 -3.576 -19.087 1.00 32.23 O ATOM 1053 CB VAL A 78 -2.722 -2.765 -18.930 1.00 54.54 C ATOM 1054 CG1 VAL A 78 -3.160 -3.638 -20.096 1.00 35.20 C ATOM 1055 CG2 VAL A 78 -3.922 -2.100 -18.272 1.00 5.43 C ATOM 0 H VAL A 78 -0.990 -1.923 -17.052 1.00 62.25 H new ATOM 0 HA VAL A 78 -2.583 -4.363 -17.487 1.00 73.33 H new ATOM 0 HB VAL A 78 -2.069 -1.983 -19.318 1.00 54.54 H new ATOM 0 HG11 VAL A 78 -3.717 -3.035 -20.813 1.00 35.20 H new ATOM 0 HG12 VAL A 78 -2.282 -4.062 -20.583 1.00 35.20 H new ATOM 0 HG13 VAL A 78 -3.796 -4.444 -19.729 1.00 35.20 H new ATOM 0 HG21 VAL A 78 -4.469 -1.519 -19.015 1.00 5.43 H new ATOM 0 HG22 VAL A 78 -4.578 -2.864 -17.854 1.00 5.43 H new ATOM 0 HG23 VAL A 78 -3.580 -1.440 -17.475 1.00 5.43 H new ATOM 1065 N LEU A 79 -0.759 -5.582 -18.638 1.00 33.10 N ATOM 1066 CA LEU A 79 0.314 -6.337 -19.276 1.00 1.23 C ATOM 1067 C LEU A 79 -0.139 -6.898 -20.620 1.00 2.22 C ATOM 1068 O LEU A 79 -1.128 -7.627 -20.698 1.00 13.44 O ATOM 1069 CB LEU A 79 0.775 -7.475 -18.364 1.00 71.51 C ATOM 1070 CG LEU A 79 2.202 -7.978 -18.587 1.00 74.30 C ATOM 1071 CD1 LEU A 79 2.333 -8.622 -19.959 1.00 15.23 C ATOM 1072 CD2 LEU A 79 3.199 -6.839 -18.433 1.00 33.10 C ATOM 0 H LEU A 79 -1.499 -6.158 -18.237 1.00 33.10 H new ATOM 0 HA LEU A 79 1.149 -5.658 -19.450 1.00 1.23 H new ATOM 0 HB2 LEU A 79 0.685 -7.144 -17.329 1.00 71.51 H new ATOM 0 HB3 LEU A 79 0.091 -8.315 -18.490 1.00 71.51 H new ATOM 0 HG LEU A 79 2.423 -8.732 -17.832 1.00 74.30 H new ATOM 0 HD11 LEU A 79 3.355 -8.974 -20.100 1.00 15.23 H new ATOM 0 HD12 LEU A 79 1.646 -9.465 -20.032 1.00 15.23 H new ATOM 0 HD13 LEU A 79 2.092 -7.889 -20.729 1.00 15.23 H new ATOM 0 HD21 LEU A 79 4.209 -7.215 -18.595 1.00 33.10 H new ATOM 0 HD22 LEU A 79 2.979 -6.062 -19.165 1.00 33.10 H new ATOM 0 HD23 LEU A 79 3.124 -6.423 -17.428 1.00 33.10 H new ATOM 1084 N ILE A 80 0.593 -6.555 -21.675 1.00 15.12 N ATOM 1085 CA ILE A 80 0.268 -7.027 -23.015 1.00 33.10 C ATOM 1086 C ILE A 80 1.378 -7.913 -23.570 1.00 42.40 C ATOM 1087 O ILE A 80 2.554 -7.547 -23.538 1.00 71.51 O ATOM 1088 CB ILE A 80 0.030 -5.853 -23.983 1.00 61.33 C ATOM 1089 CG1 ILE A 80 -0.384 -6.376 -25.360 1.00 53.45 C ATOM 1090 CG2 ILE A 80 1.281 -4.994 -24.091 1.00 61.21 C ATOM 1091 CD1 ILE A 80 -0.718 -5.279 -26.347 1.00 43.14 C ATOM 0 H ILE A 80 1.415 -5.952 -21.627 1.00 15.12 H new ATOM 0 HA ILE A 80 -0.650 -7.609 -22.931 1.00 33.10 H new ATOM 0 HB ILE A 80 -0.778 -5.236 -23.591 1.00 61.33 H new ATOM 0 HG12 ILE A 80 0.423 -6.986 -25.766 1.00 53.45 H new ATOM 0 HG13 ILE A 80 -1.250 -7.028 -25.247 1.00 53.45 H new ATOM 0 HG21 ILE A 80 1.097 -4.168 -24.779 1.00 61.21 H new ATOM 0 HG22 ILE A 80 1.536 -4.598 -23.108 1.00 61.21 H new ATOM 0 HG23 ILE A 80 2.107 -5.600 -24.464 1.00 61.21 H new ATOM 0 HD11 ILE A 80 -1.003 -5.722 -27.301 1.00 43.14 H new ATOM 0 HD12 ILE A 80 -1.546 -4.683 -25.962 1.00 43.14 H new ATOM 0 HD13 ILE A 80 0.154 -4.640 -26.490 1.00 43.14 H new ATOM 1103 N THR A 81 0.998 -9.080 -24.081 1.00 54.50 N ATOM 1104 CA THR A 81 1.960 -10.018 -24.644 1.00 42.43 C ATOM 1105 C THR A 81 1.749 -10.188 -26.144 1.00 72.13 C ATOM 1106 O THR A 81 0.627 -10.405 -26.602 1.00 33.22 O ATOM 1107 CB THR A 81 1.865 -11.396 -23.964 1.00 22.30 C ATOM 1108 OG1 THR A 81 2.729 -12.329 -24.624 1.00 11.34 O ATOM 1109 CG2 THR A 81 0.435 -11.915 -23.990 1.00 65.44 C ATOM 0 H THR A 81 0.029 -9.398 -24.116 1.00 54.50 H new ATOM 0 HA THR A 81 2.951 -9.600 -24.464 1.00 42.43 H new ATOM 0 HB THR A 81 2.176 -11.286 -22.925 1.00 22.30 H new ATOM 0 HG1 THR A 81 2.664 -13.202 -24.184 1.00 11.34 H new ATOM 0 HG21 THR A 81 0.393 -12.890 -23.504 1.00 65.44 H new ATOM 0 HG22 THR A 81 -0.215 -11.218 -23.461 1.00 65.44 H new ATOM 0 HG23 THR A 81 0.101 -12.010 -25.023 1.00 65.44 H new ATOM 1117 N ARG A 82 2.834 -10.089 -26.905 1.00 70.21 N ATOM 1118 CA ARG A 82 2.767 -10.232 -28.354 1.00 74.24 C ATOM 1119 C ARG A 82 3.380 -11.556 -28.799 1.00 64.52 C ATOM 1120 O ARG A 82 4.453 -11.944 -28.334 1.00 34.42 O ATOM 1121 CB ARG A 82 3.488 -9.069 -29.037 1.00 51.41 C ATOM 1122 CG ARG A 82 2.974 -8.770 -30.436 1.00 14.32 C ATOM 1123 CD ARG A 82 4.070 -8.200 -31.322 1.00 52.05 C ATOM 1124 NE ARG A 82 3.701 -8.228 -32.735 1.00 71.23 N ATOM 1125 CZ ARG A 82 4.456 -7.720 -33.702 1.00 43.44 C ATOM 1126 NH1 ARG A 82 5.616 -7.147 -33.410 1.00 51.24 N ATOM 1127 NH2 ARG A 82 4.052 -7.784 -34.965 1.00 4.23 N ATOM 0 H ARG A 82 3.770 -9.910 -26.542 1.00 70.21 H new ATOM 0 HA ARG A 82 1.717 -10.221 -28.646 1.00 74.24 H new ATOM 0 HB2 ARG A 82 3.382 -8.176 -28.422 1.00 51.41 H new ATOM 0 HB3 ARG A 82 4.553 -9.294 -29.091 1.00 51.41 H new ATOM 0 HG2 ARG A 82 2.581 -9.683 -30.883 1.00 14.32 H new ATOM 0 HG3 ARG A 82 2.147 -8.062 -30.377 1.00 14.32 H new ATOM 0 HD2 ARG A 82 4.281 -7.173 -31.023 1.00 52.05 H new ATOM 0 HD3 ARG A 82 4.988 -8.770 -31.176 1.00 52.05 H new ATOM 0 HE ARG A 82 2.815 -8.662 -32.993 1.00 71.23 H new ATOM 0 HH11 ARG A 82 5.930 -7.096 -32.441 1.00 51.24 H new ATOM 0 HH12 ARG A 82 6.194 -6.758 -34.155 1.00 51.24 H new ATOM 0 HH21 ARG A 82 3.161 -8.224 -35.194 1.00 4.23 H new ATOM 0 HH22 ARG A 82 4.633 -7.393 -35.707 1.00 4.23 H new ATOM 1141 N THR A 83 2.693 -12.248 -29.703 1.00 51.53 N ATOM 1142 CA THR A 83 3.169 -13.529 -30.210 1.00 13.51 C ATOM 1143 C THR A 83 3.287 -14.554 -29.088 1.00 4.41 C ATOM 1144 O THR A 83 4.390 -14.907 -28.670 1.00 42.02 O ATOM 1145 CB THR A 83 4.536 -13.385 -30.905 1.00 54.04 C ATOM 1146 OG1 THR A 83 4.486 -12.327 -31.869 1.00 4.54 O ATOM 1147 CG2 THR A 83 4.933 -14.683 -31.591 1.00 71.51 C ATOM 0 H THR A 83 1.804 -11.942 -30.099 1.00 51.53 H new ATOM 0 HA THR A 83 2.435 -13.874 -30.938 1.00 13.51 H new ATOM 0 HB THR A 83 5.282 -13.150 -30.146 1.00 54.04 H new ATOM 0 HG1 THR A 83 5.359 -12.240 -32.305 1.00 4.54 H new ATOM 0 HG21 THR A 83 5.902 -14.557 -32.075 1.00 71.51 H new ATOM 0 HG22 THR A 83 4.998 -15.481 -30.851 1.00 71.51 H new ATOM 0 HG23 THR A 83 4.184 -14.943 -32.340 1.00 71.51 H new ATOM 1155 N VAL A 84 2.144 -15.029 -28.604 1.00 24.05 N ATOM 1156 CA VAL A 84 2.120 -16.016 -27.530 1.00 44.24 C ATOM 1157 C VAL A 84 1.584 -17.354 -28.026 1.00 63.03 C ATOM 1158 O VAL A 84 0.598 -17.406 -28.760 1.00 21.22 O ATOM 1159 CB VAL A 84 1.259 -15.537 -26.347 1.00 1.13 C ATOM 1160 CG1 VAL A 84 -0.198 -15.410 -26.763 1.00 73.45 C ATOM 1161 CG2 VAL A 84 1.404 -16.484 -25.165 1.00 60.34 C ATOM 0 H VAL A 84 1.223 -14.747 -28.938 1.00 24.05 H new ATOM 0 HA VAL A 84 3.149 -16.142 -27.193 1.00 44.24 H new ATOM 0 HB VAL A 84 1.611 -14.552 -26.040 1.00 1.13 H new ATOM 0 HG11 VAL A 84 -0.791 -15.070 -25.914 1.00 73.45 H new ATOM 0 HG12 VAL A 84 -0.283 -14.689 -27.576 1.00 73.45 H new ATOM 0 HG13 VAL A 84 -0.567 -16.380 -27.098 1.00 73.45 H new ATOM 0 HG21 VAL A 84 0.789 -16.130 -24.338 1.00 60.34 H new ATOM 0 HG22 VAL A 84 1.080 -17.483 -25.457 1.00 60.34 H new ATOM 0 HG23 VAL A 84 2.448 -16.518 -24.852 1.00 60.34 H new ATOM 1171 N GLY A 85 2.242 -18.436 -27.620 1.00 35.12 N ATOM 1172 CA GLY A 85 1.816 -19.761 -28.032 1.00 42.12 C ATOM 1173 C GLY A 85 2.953 -20.764 -28.024 1.00 11.44 C ATOM 1174 O GLY A 85 2.795 -21.894 -28.484 1.00 23.44 O ATOM 0 H GLY A 85 3.062 -18.419 -27.014 1.00 35.12 H new ATOM 0 HA2 GLY A 85 1.025 -20.108 -27.367 1.00 42.12 H new ATOM 0 HA3 GLY A 85 1.390 -19.707 -29.034 1.00 42.12 H new TER 1178 GLY A 85