USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 676 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 Set 1.1: A 6 LYS NZ :NH3+ -177:sc= 0.806 (180deg=0) USER MOD Set 1.2: A 11 THR OG1 : rot 111:sc= 0.728 USER MOD Single : A 1 TRP N :NH3+ 134:sc= -0.0136 (180deg=-0.466!) USER MOD Single : A 5 CYS SG : rot -150:sc= -0.546 USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= 0.824 (180deg=0.339) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 15 GLN : amide:sc= 0.177 X(o=0.18,f=-0.066) USER MOD Single : A 18 SER OG : rot 160:sc= -0.362 USER MOD Single : A 19 SER OG : rot -48:sc= 0.555 USER MOD Single : A 21 THR OG1 : rot 87:sc= 0.789 USER MOD Single : A 27 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.1) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 34 THR OG1 : rot -27:sc= 0.274 USER MOD Single : A 40 SER OG : rot 58:sc= 0.271 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.47 F(o=-2,f=-1.5) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 6:sc= 0.709 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -67:sc= 0.559 USER MOD Single : A 71 MET CE :methyl -140:sc= -2.17 (180deg=-6.68!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -47:sc= -0.182 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 38:sc= 0.302 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.553 -0.592 -0.642 1.00 0.00 N ATOM 2 CA TRP A 1 2.486 -0.311 -1.755 1.00 0.00 C ATOM 3 C TRP A 1 3.922 -0.709 -1.346 1.00 0.00 C ATOM 4 O TRP A 1 4.572 -0.001 -0.563 1.00 0.00 O ATOM 5 CB TRP A 1 2.426 1.189 -2.158 1.00 0.00 C ATOM 6 CG TRP A 1 1.139 1.662 -2.797 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.136 1.244 -2.534 1.00 0.00 C ATOM 8 CD2 TRP A 1 1.021 2.694 -3.780 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.025 1.914 -3.330 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.339 2.816 -4.097 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.940 3.519 -4.426 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -0.802 3.735 -5.034 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.478 4.425 -5.353 1.00 0.00 C ATOM 14 CH2 TRP A 1 0.116 4.530 -5.650 1.00 0.00 C ATOM 0 H1 TRP A 1 0.923 0.224 -0.502 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.985 -1.433 -0.869 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.094 -0.765 0.229 1.00 0.00 H new ATOM 0 HA TRP A 1 2.189 -0.902 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.606 1.790 -1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.245 1.390 -2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.403 0.494 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.034 1.765 -3.349 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.994 3.449 -4.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -1.854 3.815 -5.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 2.182 5.068 -5.861 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.214 5.254 -6.380 1.00 0.00 H new ATOM 27 N ARG A 2 4.385 -1.866 -1.859 1.00 0.00 N ATOM 28 CA ARG A 2 5.785 -2.337 -1.699 1.00 0.00 C ATOM 29 C ARG A 2 6.701 -1.608 -2.712 1.00 0.00 C ATOM 30 O ARG A 2 7.248 -2.225 -3.632 1.00 0.00 O ATOM 31 CB ARG A 2 5.878 -3.894 -1.883 1.00 0.00 C ATOM 32 CG ARG A 2 5.555 -4.748 -0.633 1.00 0.00 C ATOM 33 CD ARG A 2 4.099 -4.654 -0.171 1.00 0.00 C ATOM 34 NE ARG A 2 3.852 -5.496 1.015 1.00 0.00 N ATOM 35 CZ ARG A 2 2.681 -5.627 1.647 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.600 -4.966 1.241 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.597 -6.421 2.697 1.00 0.00 N ATOM 0 H ARG A 2 3.801 -2.505 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 2 6.120 -2.103 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.198 -4.186 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.886 -4.141 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.790 -5.790 -0.848 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.205 -4.436 0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.856 -3.617 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.439 -4.963 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 2 4.643 -6.024 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.655 -4.345 0.434 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.716 -5.080 1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.421 -6.928 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.708 -6.528 3.186 1.00 0.00 H new ATOM 51 N VAL A 3 6.873 -0.293 -2.519 1.00 0.00 N ATOM 52 CA VAL A 3 7.600 0.562 -3.469 1.00 0.00 C ATOM 53 C VAL A 3 9.108 0.358 -3.304 1.00 0.00 C ATOM 54 O VAL A 3 9.660 0.586 -2.230 1.00 0.00 O ATOM 55 CB VAL A 3 7.228 2.074 -3.283 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.103 2.994 -4.174 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.721 2.282 -3.564 1.00 0.00 C ATOM 0 H VAL A 3 6.515 0.206 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 3 7.307 0.273 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 3 7.432 2.354 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.815 4.033 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.153 2.864 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.957 2.732 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.468 3.334 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.496 1.979 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.135 1.679 -2.870 1.00 0.00 H new ATOM 67 N ARG A 4 9.754 -0.083 -4.384 1.00 0.00 N ATOM 68 CA ARG A 4 11.176 -0.405 -4.390 1.00 0.00 C ATOM 69 C ARG A 4 11.972 0.819 -4.862 1.00 0.00 C ATOM 70 O ARG A 4 11.647 1.410 -5.894 1.00 0.00 O ATOM 71 CB ARG A 4 11.417 -1.636 -5.305 1.00 0.00 C ATOM 72 CG ARG A 4 10.583 -2.870 -4.890 1.00 0.00 C ATOM 73 CD ARG A 4 10.927 -4.145 -5.674 1.00 0.00 C ATOM 74 NE ARG A 4 10.050 -5.265 -5.267 1.00 0.00 N ATOM 75 CZ ARG A 4 10.435 -6.527 -5.042 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.703 -6.890 -5.167 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.537 -7.422 -4.665 1.00 0.00 N ATOM 0 H ARG A 4 9.299 -0.227 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 4 11.515 -0.659 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.175 -1.370 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.475 -1.896 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.733 -3.057 -3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.525 -2.645 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.817 -3.961 -6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.970 -4.413 -5.502 1.00 0.00 H new ATOM 0 HE ARG A 4 9.059 -5.056 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.406 -6.203 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.976 -7.857 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.562 -7.148 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.820 -8.386 -4.491 1.00 0.00 H new ATOM 91 N CYS A 5 12.990 1.216 -4.083 1.00 0.00 N ATOM 92 CA CYS A 5 13.854 2.361 -4.403 1.00 0.00 C ATOM 93 C CYS A 5 15.307 1.899 -4.593 1.00 0.00 C ATOM 94 O CYS A 5 15.962 1.461 -3.642 1.00 0.00 O ATOM 95 CB CYS A 5 13.740 3.432 -3.305 1.00 0.00 C ATOM 96 SG CYS A 5 12.102 4.196 -3.215 1.00 0.00 S ATOM 0 H CYS A 5 13.237 0.750 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 5 13.524 2.806 -5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.976 2.981 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.485 4.207 -3.485 1.00 0.00 H new ATOM 0 HG CYS A 5 12.216 5.419 -2.789 1.00 0.00 H new ATOM 102 N LYS A 6 15.780 1.980 -5.848 1.00 0.00 N ATOM 103 CA LYS A 6 17.150 1.621 -6.237 1.00 0.00 C ATOM 104 C LYS A 6 18.122 2.723 -5.788 1.00 0.00 C ATOM 105 O LYS A 6 17.910 3.900 -6.114 1.00 0.00 O ATOM 106 CB LYS A 6 17.249 1.467 -7.780 1.00 0.00 C ATOM 107 CG LYS A 6 18.577 0.857 -8.289 1.00 0.00 C ATOM 108 CD LYS A 6 18.644 -0.679 -8.106 1.00 0.00 C ATOM 109 CE LYS A 6 17.610 -1.422 -8.981 1.00 0.00 C ATOM 110 NZ LYS A 6 17.760 -2.900 -8.904 1.00 0.00 N ATOM 0 H LYS A 6 15.211 2.302 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 6 17.409 0.676 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.424 0.842 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.117 2.447 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.700 1.098 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.410 1.318 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.646 -1.029 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.473 -0.925 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.604 -1.145 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.718 -1.102 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.078 -3.352 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.726 -3.166 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.580 -3.217 -7.930 1.00 0.00 H new ATOM 124 N ALA A 7 19.177 2.336 -5.063 1.00 0.00 N ATOM 125 CA ALA A 7 20.246 3.255 -4.645 1.00 0.00 C ATOM 126 C ALA A 7 21.516 2.457 -4.308 1.00 0.00 C ATOM 127 O ALA A 7 21.583 1.239 -4.542 1.00 0.00 O ATOM 128 CB ALA A 7 19.784 4.115 -3.453 1.00 0.00 C ATOM 0 H ALA A 7 19.316 1.376 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 7 20.479 3.934 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.588 4.789 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.910 4.698 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.527 3.467 -2.615 1.00 0.00 H new ATOM 134 N LYS A 8 22.532 3.163 -3.798 1.00 0.00 N ATOM 135 CA LYS A 8 23.774 2.548 -3.311 1.00 0.00 C ATOM 136 C LYS A 8 23.458 1.718 -2.057 1.00 0.00 C ATOM 137 O LYS A 8 22.840 2.222 -1.114 1.00 0.00 O ATOM 138 CB LYS A 8 24.806 3.650 -2.989 1.00 0.00 C ATOM 139 CG LYS A 8 25.087 4.618 -4.166 1.00 0.00 C ATOM 140 CD LYS A 8 25.953 5.822 -3.738 1.00 0.00 C ATOM 141 CE LYS A 8 25.288 6.663 -2.627 1.00 0.00 C ATOM 142 NZ LYS A 8 26.233 7.638 -2.041 1.00 0.00 N ATOM 0 H LYS A 8 22.517 4.179 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 8 24.196 1.895 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.451 4.227 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.742 3.179 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.591 4.077 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.141 4.979 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 8 26.921 5.463 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 8 26.143 6.455 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.427 7.191 -3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.914 6.002 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.924 7.887 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 27.184 7.219 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.257 8.495 -2.630 1.00 0.00 H new ATOM 156 N GLY A 9 23.874 0.449 -2.067 1.00 0.00 N ATOM 157 CA GLY A 9 23.477 -0.516 -1.038 1.00 0.00 C ATOM 158 C GLY A 9 22.428 -1.499 -1.550 1.00 0.00 C ATOM 159 O GLY A 9 22.068 -2.448 -0.843 1.00 0.00 O ATOM 0 H GLY A 9 24.491 0.064 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.355 -1.066 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.082 0.018 -0.173 1.00 0.00 H new ATOM 163 N GLY A 10 21.949 -1.266 -2.791 1.00 0.00 N ATOM 164 CA GLY A 10 20.986 -2.145 -3.457 1.00 0.00 C ATOM 165 C GLY A 10 19.592 -1.536 -3.532 1.00 0.00 C ATOM 166 O GLY A 10 19.419 -0.313 -3.398 1.00 0.00 O ATOM 0 H GLY A 10 22.224 -0.460 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.337 -2.365 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.936 -3.094 -2.923 1.00 0.00 H new ATOM 170 N THR A 11 18.593 -2.404 -3.749 1.00 0.00 N ATOM 171 CA THR A 11 17.186 -2.006 -3.854 1.00 0.00 C ATOM 172 C THR A 11 16.500 -2.155 -2.485 1.00 0.00 C ATOM 173 O THR A 11 16.428 -3.260 -1.937 1.00 0.00 O ATOM 174 CB THR A 11 16.439 -2.875 -4.910 1.00 0.00 C ATOM 175 OG1 THR A 11 17.209 -2.928 -6.114 1.00 0.00 O ATOM 176 CG2 THR A 11 15.038 -2.323 -5.218 1.00 0.00 C ATOM 0 H THR A 11 18.742 -3.407 -3.857 1.00 0.00 H new ATOM 0 HA THR A 11 17.147 -0.965 -4.173 1.00 0.00 H new ATOM 0 HB THR A 11 16.318 -3.876 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.562 -3.834 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.552 -2.958 -5.959 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.443 -2.310 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.124 -1.309 -5.610 1.00 0.00 H new ATOM 184 N HIS A 12 16.004 -1.035 -1.955 1.00 0.00 N ATOM 185 CA HIS A 12 15.346 -0.972 -0.644 1.00 0.00 C ATOM 186 C HIS A 12 13.838 -1.157 -0.839 1.00 0.00 C ATOM 187 O HIS A 12 13.279 -0.669 -1.823 1.00 0.00 O ATOM 188 CB HIS A 12 15.636 0.390 0.028 1.00 0.00 C ATOM 189 CG HIS A 12 17.091 0.656 0.334 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.618 0.581 1.608 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.130 0.988 -0.476 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.900 0.879 1.573 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.241 1.122 0.321 1.00 0.00 N ATOM 0 H HIS A 12 16.048 -0.133 -2.429 1.00 0.00 H new ATOM 0 HA HIS A 12 15.730 -1.762 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.266 1.184 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.069 0.447 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.090 1.122 -1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.562 0.918 2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.177 1.369 -0.002 1.00 0.00 H new ATOM 202 N LEU A 13 13.191 -1.864 0.092 1.00 0.00 N ATOM 203 CA LEU A 13 11.741 -2.124 0.036 1.00 0.00 C ATOM 204 C LEU A 13 11.053 -1.187 1.044 1.00 0.00 C ATOM 205 O LEU A 13 11.152 -1.388 2.263 1.00 0.00 O ATOM 206 CB LEU A 13 11.451 -3.639 0.317 1.00 0.00 C ATOM 207 CG LEU A 13 10.024 -4.204 -0.039 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.930 -3.740 0.942 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.643 -3.864 -1.493 1.00 0.00 C ATOM 0 H LEU A 13 13.652 -2.273 0.905 1.00 0.00 H new ATOM 0 HA LEU A 13 11.341 -1.918 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.188 -4.226 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.625 -3.820 1.378 1.00 0.00 H new ATOM 0 HG LEU A 13 10.087 -5.288 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.971 -4.162 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.177 -4.077 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.867 -2.652 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.654 -4.265 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.633 -2.782 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.373 -4.304 -2.173 1.00 0.00 H new ATOM 221 N LEU A 14 10.397 -0.143 0.523 1.00 0.00 N ATOM 222 CA LEU A 14 9.748 0.893 1.340 1.00 0.00 C ATOM 223 C LEU A 14 8.313 0.481 1.711 1.00 0.00 C ATOM 224 O LEU A 14 7.571 -0.070 0.888 1.00 0.00 O ATOM 225 CB LEU A 14 9.748 2.272 0.618 1.00 0.00 C ATOM 226 CG LEU A 14 11.109 3.029 0.547 1.00 0.00 C ATOM 227 CD1 LEU A 14 12.142 2.281 -0.323 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.903 4.488 0.070 1.00 0.00 C ATOM 0 H LEU A 14 10.300 0.009 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 14 10.327 0.995 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.389 2.122 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.026 2.917 1.119 1.00 0.00 H new ATOM 0 HG LEU A 14 11.520 3.063 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.075 2.844 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.324 1.292 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.757 2.178 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.866 4.997 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.450 4.486 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.247 5.010 0.767 1.00 0.00 H new ATOM 240 N GLN A 15 7.951 0.765 2.972 1.00 0.00 N ATOM 241 CA GLN A 15 6.611 0.541 3.532 1.00 0.00 C ATOM 242 C GLN A 15 6.011 1.882 3.993 1.00 0.00 C ATOM 243 O GLN A 15 6.728 2.883 4.134 1.00 0.00 O ATOM 244 CB GLN A 15 6.694 -0.470 4.715 1.00 0.00 C ATOM 245 CG GLN A 15 7.090 -1.903 4.302 1.00 0.00 C ATOM 246 CD GLN A 15 6.037 -2.573 3.407 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.108 -3.207 3.896 1.00 0.00 O ATOM 248 NE2 GLN A 15 6.172 -2.431 2.096 1.00 0.00 N ATOM 0 H GLN A 15 8.601 1.168 3.648 1.00 0.00 H new ATOM 0 HA GLN A 15 5.961 0.118 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.418 -0.101 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.727 -0.504 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.044 -1.875 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.238 -2.507 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.955 -1.898 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.492 -2.855 1.464 1.00 0.00 H new ATOM 257 N GLY A 16 4.684 1.890 4.218 1.00 0.00 N ATOM 258 CA GLY A 16 3.962 3.096 4.650 1.00 0.00 C ATOM 259 C GLY A 16 3.544 3.999 3.490 1.00 0.00 C ATOM 260 O GLY A 16 3.093 5.132 3.718 1.00 0.00 O ATOM 0 H GLY A 16 4.089 1.069 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.074 2.799 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.593 3.663 5.334 1.00 0.00 H new ATOM 264 N LEU A 17 3.694 3.496 2.247 1.00 0.00 N ATOM 265 CA LEU A 17 3.288 4.226 1.037 1.00 0.00 C ATOM 266 C LEU A 17 1.779 4.039 0.790 1.00 0.00 C ATOM 267 O LEU A 17 1.316 2.946 0.432 1.00 0.00 O ATOM 268 CB LEU A 17 4.080 3.794 -0.235 1.00 0.00 C ATOM 269 CG LEU A 17 5.573 4.238 -0.352 1.00 0.00 C ATOM 270 CD1 LEU A 17 5.709 5.772 -0.352 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.447 3.581 0.728 1.00 0.00 C ATOM 0 H LEU A 17 4.098 2.578 2.059 1.00 0.00 H new ATOM 0 HA LEU A 17 3.518 5.276 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.049 2.706 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.548 4.176 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 17 5.943 3.886 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.761 6.044 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.160 6.186 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.302 6.173 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.478 3.914 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.081 3.865 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.402 2.497 0.623 1.00 0.00 H new ATOM 283 N SER A 18 1.046 5.113 1.024 1.00 0.00 N ATOM 284 CA SER A 18 -0.359 5.263 0.634 1.00 0.00 C ATOM 285 C SER A 18 -0.421 5.750 -0.826 1.00 0.00 C ATOM 286 O SER A 18 0.597 6.146 -1.395 1.00 0.00 O ATOM 287 CB SER A 18 -1.042 6.286 1.575 1.00 0.00 C ATOM 288 OG SER A 18 -2.393 6.500 1.226 1.00 0.00 O ATOM 0 H SER A 18 1.416 5.933 1.504 1.00 0.00 H new ATOM 0 HA SER A 18 -0.880 4.309 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.985 5.929 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.502 7.232 1.536 1.00 0.00 H new ATOM 0 HG SER A 18 -2.873 6.878 1.992 1.00 0.00 H new ATOM 294 N SER A 19 -1.618 5.748 -1.420 1.00 0.00 N ATOM 295 CA SER A 19 -1.840 6.290 -2.774 1.00 0.00 C ATOM 296 C SER A 19 -1.689 7.830 -2.788 1.00 0.00 C ATOM 297 O SER A 19 -1.399 8.437 -3.830 1.00 0.00 O ATOM 298 CB SER A 19 -3.240 5.867 -3.266 1.00 0.00 C ATOM 299 OG SER A 19 -3.409 4.458 -3.174 1.00 0.00 O ATOM 0 H SER A 19 -2.460 5.374 -0.983 1.00 0.00 H new ATOM 0 HA SER A 19 -1.086 5.885 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.005 6.368 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.378 6.187 -4.299 1.00 0.00 H new ATOM 0 HG SER A 19 -2.628 4.009 -3.560 1.00 0.00 H new ATOM 305 N ARG A 20 -1.865 8.440 -1.599 1.00 0.00 N ATOM 306 CA ARG A 20 -1.849 9.899 -1.405 1.00 0.00 C ATOM 307 C ARG A 20 -0.613 10.356 -0.595 1.00 0.00 C ATOM 308 O ARG A 20 -0.631 11.443 0.011 1.00 0.00 O ATOM 309 CB ARG A 20 -3.165 10.328 -0.692 1.00 0.00 C ATOM 310 CG ARG A 20 -3.357 9.701 0.711 1.00 0.00 C ATOM 311 CD ARG A 20 -4.666 10.127 1.391 1.00 0.00 C ATOM 312 NE ARG A 20 -4.758 9.573 2.754 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.782 9.743 3.596 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.867 10.412 3.227 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.718 9.230 4.810 1.00 0.00 N ATOM 0 H ARG A 20 -2.025 7.922 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.784 10.381 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.177 11.414 -0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.012 10.053 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.338 8.615 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.517 9.983 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.721 11.215 1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.515 9.787 0.798 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.972 9.012 3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.929 10.806 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.639 10.532 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.891 8.708 5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.495 9.355 5.458 1.00 0.00 H new ATOM 329 N THR A 21 0.463 9.542 -0.601 1.00 0.00 N ATOM 330 CA THR A 21 1.740 9.917 0.037 1.00 0.00 C ATOM 331 C THR A 21 2.333 11.158 -0.671 1.00 0.00 C ATOM 332 O THR A 21 2.771 11.079 -1.828 1.00 0.00 O ATOM 333 CB THR A 21 2.763 8.738 -0.002 1.00 0.00 C ATOM 334 OG1 THR A 21 2.174 7.566 0.560 1.00 0.00 O ATOM 335 CG2 THR A 21 4.071 9.040 0.740 1.00 0.00 C ATOM 0 H THR A 21 0.472 8.622 -1.041 1.00 0.00 H new ATOM 0 HA THR A 21 1.542 10.153 1.082 1.00 0.00 H new ATOM 0 HB THR A 21 3.013 8.586 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.684 7.080 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.735 8.178 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.554 9.906 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.855 9.250 1.787 1.00 0.00 H new ATOM 343 N ARG A 22 2.286 12.302 0.034 1.00 0.00 N ATOM 344 CA ARG A 22 2.750 13.611 -0.477 1.00 0.00 C ATOM 345 C ARG A 22 4.276 13.657 -0.614 1.00 0.00 C ATOM 346 O ARG A 22 4.953 12.742 -0.179 1.00 0.00 O ATOM 347 CB ARG A 22 2.270 14.733 0.474 1.00 0.00 C ATOM 348 CG ARG A 22 0.739 14.900 0.525 1.00 0.00 C ATOM 349 CD ARG A 22 0.294 15.909 1.595 1.00 0.00 C ATOM 350 NE ARG A 22 1.001 17.202 1.489 1.00 0.00 N ATOM 351 CZ ARG A 22 0.850 18.236 2.326 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.074 18.212 3.286 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.623 19.303 2.197 1.00 0.00 N ATOM 0 H ARG A 22 1.921 12.348 0.985 1.00 0.00 H new ATOM 0 HA ARG A 22 2.326 13.759 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.636 14.524 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.718 15.676 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.379 15.227 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.278 13.933 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.779 16.078 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.468 15.484 2.584 1.00 0.00 H new ATOM 0 HE ARG A 22 1.657 17.316 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.679 17.398 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.176 19.008 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.330 19.335 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.512 20.093 2.832 1.00 0.00 H new ATOM 367 N LEU A 23 4.786 14.740 -1.224 1.00 0.00 N ATOM 368 CA LEU A 23 6.239 15.009 -1.374 1.00 0.00 C ATOM 369 C LEU A 23 6.983 14.881 -0.025 1.00 0.00 C ATOM 370 O LEU A 23 7.944 14.108 0.097 1.00 0.00 O ATOM 371 CB LEU A 23 6.457 16.436 -1.966 1.00 0.00 C ATOM 372 CG LEU A 23 7.934 16.965 -1.983 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.865 16.041 -2.781 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.006 18.412 -2.515 1.00 0.00 C ATOM 0 H LEU A 23 4.199 15.467 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 23 6.649 14.263 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.080 16.443 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.849 17.139 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 23 8.283 16.967 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.877 16.445 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.864 15.048 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.515 15.974 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.043 18.749 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.614 18.446 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.412 19.065 -1.875 1.00 0.00 H new ATOM 386 N ARG A 24 6.505 15.654 0.959 1.00 0.00 N ATOM 387 CA ARG A 24 7.005 15.645 2.357 1.00 0.00 C ATOM 388 C ARG A 24 7.107 14.220 2.965 1.00 0.00 C ATOM 389 O ARG A 24 8.049 13.922 3.701 1.00 0.00 O ATOM 390 CB ARG A 24 6.074 16.524 3.236 1.00 0.00 C ATOM 391 CG ARG A 24 4.560 16.245 3.015 1.00 0.00 C ATOM 392 CD ARG A 24 3.662 16.850 4.097 1.00 0.00 C ATOM 393 NE ARG A 24 3.853 16.157 5.369 1.00 0.00 N ATOM 394 CZ ARG A 24 3.578 16.645 6.577 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.174 17.899 6.731 1.00 0.00 N ATOM 396 NH2 ARG A 24 3.737 15.865 7.630 1.00 0.00 N ATOM 0 H ARG A 24 5.745 16.319 0.812 1.00 0.00 H new ATOM 0 HA ARG A 24 8.018 16.047 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.316 16.357 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.275 17.574 3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.264 16.642 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.399 15.168 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.890 17.909 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.618 16.780 3.792 1.00 0.00 H new ATOM 0 HE ARG A 24 4.232 15.211 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.070 18.505 5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.967 18.257 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.065 14.907 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.532 16.221 8.564 1.00 0.00 H new ATOM 410 N GLU A 25 6.137 13.360 2.626 1.00 0.00 N ATOM 411 CA GLU A 25 6.043 11.993 3.167 1.00 0.00 C ATOM 412 C GLU A 25 6.904 11.012 2.342 1.00 0.00 C ATOM 413 O GLU A 25 7.524 10.113 2.895 1.00 0.00 O ATOM 414 CB GLU A 25 4.557 11.554 3.162 1.00 0.00 C ATOM 415 CG GLU A 25 3.603 12.484 3.939 1.00 0.00 C ATOM 416 CD GLU A 25 3.849 12.497 5.461 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.244 11.673 6.172 1.00 0.00 O ATOM 418 OE2 GLU A 25 4.626 13.342 5.953 1.00 0.00 O ATOM 0 H GLU A 25 5.393 13.591 1.968 1.00 0.00 H new ATOM 0 HA GLU A 25 6.424 11.982 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.216 11.489 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.488 10.552 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.707 13.499 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.575 12.175 3.749 1.00 0.00 H new ATOM 425 N LEU A 26 6.958 11.236 1.020 1.00 0.00 N ATOM 426 CA LEU A 26 7.606 10.330 0.055 1.00 0.00 C ATOM 427 C LEU A 26 9.123 10.472 0.179 1.00 0.00 C ATOM 428 O LEU A 26 9.805 9.549 0.640 1.00 0.00 O ATOM 429 CB LEU A 26 7.067 10.637 -1.390 1.00 0.00 C ATOM 430 CG LEU A 26 7.626 9.813 -2.613 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.906 10.426 -3.207 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.831 8.327 -2.255 1.00 0.00 C ATOM 0 H LEU A 26 6.548 12.062 0.584 1.00 0.00 H new ATOM 0 HA LEU A 26 7.364 9.288 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.985 10.503 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.254 11.692 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 26 6.863 9.866 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.246 9.818 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.698 11.438 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.683 10.457 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.217 7.793 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.543 8.246 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.879 7.890 -1.955 1.00 0.00 H new ATOM 444 N GLN A 27 9.627 11.664 -0.182 1.00 0.00 N ATOM 445 CA GLN A 27 11.059 11.988 -0.087 1.00 0.00 C ATOM 446 C GLN A 27 11.519 12.059 1.379 1.00 0.00 C ATOM 447 O GLN A 27 12.714 11.949 1.652 1.00 0.00 O ATOM 448 CB GLN A 27 11.398 13.299 -0.843 1.00 0.00 C ATOM 449 CG GLN A 27 11.262 13.198 -2.380 1.00 0.00 C ATOM 450 CD GLN A 27 11.959 14.334 -3.140 1.00 0.00 C ATOM 451 OE1 GLN A 27 12.059 15.460 -2.652 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.463 14.038 -4.328 1.00 0.00 N ATOM 0 H GLN A 27 9.056 12.426 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 27 11.608 11.180 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.743 14.092 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.419 13.593 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.676 12.245 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.204 13.194 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.363 13.095 -4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.951 14.753 -4.867 1.00 0.00 H new ATOM 461 N GLY A 28 10.549 12.232 2.297 1.00 0.00 N ATOM 462 CA GLY A 28 10.798 12.157 3.735 1.00 0.00 C ATOM 463 C GLY A 28 11.159 10.744 4.178 1.00 0.00 C ATOM 464 O GLY A 28 12.066 10.556 4.994 1.00 0.00 O ATOM 0 H GLY A 28 9.577 12.427 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.607 12.838 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.912 12.491 4.275 1.00 0.00 H new ATOM 468 N GLN A 29 10.470 9.734 3.602 1.00 0.00 N ATOM 469 CA GLN A 29 10.750 8.314 3.900 1.00 0.00 C ATOM 470 C GLN A 29 12.067 7.894 3.243 1.00 0.00 C ATOM 471 O GLN A 29 12.893 7.268 3.886 1.00 0.00 O ATOM 472 CB GLN A 29 9.592 7.380 3.444 1.00 0.00 C ATOM 473 CG GLN A 29 8.331 7.456 4.333 1.00 0.00 C ATOM 474 CD GLN A 29 7.160 6.580 3.865 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.995 6.423 2.564 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.383 6.075 4.669 1.00 0.00 N flip ATOM 0 H GLN A 29 9.717 9.877 2.929 1.00 0.00 H new ATOM 0 HA GLN A 29 10.836 8.213 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.317 7.634 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.953 6.352 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.601 7.165 5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.996 8.492 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.527 6.208 5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.593 5.522 4.336 1.00 0.00 H new ATOM 485 N ILE A 30 12.260 8.280 1.967 1.00 0.00 N ATOM 486 CA ILE A 30 13.478 7.950 1.189 1.00 0.00 C ATOM 487 C ILE A 30 14.752 8.513 1.878 1.00 0.00 C ATOM 488 O ILE A 30 15.794 7.839 1.937 1.00 0.00 O ATOM 489 CB ILE A 30 13.370 8.501 -0.281 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.138 7.887 -1.020 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.671 8.252 -1.083 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.886 8.448 -2.412 1.00 0.00 C ATOM 0 H ILE A 30 11.578 8.829 1.443 1.00 0.00 H new ATOM 0 HA ILE A 30 13.560 6.864 1.149 1.00 0.00 H new ATOM 0 HB ILE A 30 13.227 9.579 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.279 6.809 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.249 8.049 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.557 8.646 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.504 8.753 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.869 7.181 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.012 7.963 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.710 9.522 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.756 8.262 -3.042 1.00 0.00 H new ATOM 504 N ALA A 31 14.628 9.740 2.429 1.00 0.00 N ATOM 505 CA ALA A 31 15.708 10.412 3.187 1.00 0.00 C ATOM 506 C ALA A 31 16.092 9.621 4.454 1.00 0.00 C ATOM 507 O ALA A 31 17.218 9.735 4.940 1.00 0.00 O ATOM 508 CB ALA A 31 15.302 11.855 3.541 1.00 0.00 C ATOM 0 H ALA A 31 13.774 10.294 2.361 1.00 0.00 H new ATOM 0 HA ALA A 31 16.590 10.447 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.108 12.333 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.112 12.415 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.399 11.840 4.151 1.00 0.00 H new ATOM 514 N ALA A 32 15.145 8.823 4.978 1.00 0.00 N ATOM 515 CA ALA A 32 15.359 7.975 6.171 1.00 0.00 C ATOM 516 C ALA A 32 15.807 6.545 5.774 1.00 0.00 C ATOM 517 O ALA A 32 16.565 5.901 6.508 1.00 0.00 O ATOM 518 CB ALA A 32 14.072 7.929 7.016 1.00 0.00 C ATOM 0 H ALA A 32 14.206 8.746 4.587 1.00 0.00 H new ATOM 0 HA ALA A 32 16.160 8.414 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.235 7.303 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.809 8.938 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.260 7.513 6.420 1.00 0.00 H new ATOM 524 N ILE A 33 15.336 6.072 4.600 1.00 0.00 N ATOM 525 CA ILE A 33 15.547 4.686 4.110 1.00 0.00 C ATOM 526 C ILE A 33 16.988 4.504 3.568 1.00 0.00 C ATOM 527 O ILE A 33 17.773 3.710 4.102 1.00 0.00 O ATOM 528 CB ILE A 33 14.479 4.317 2.992 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.036 4.196 3.592 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.862 3.038 2.213 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.820 3.022 4.534 1.00 0.00 C ATOM 0 H ILE A 33 14.792 6.646 3.956 1.00 0.00 H new ATOM 0 HA ILE A 33 15.412 4.007 4.952 1.00 0.00 H new ATOM 0 HB ILE A 33 14.480 5.141 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.804 5.117 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.324 4.117 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.101 2.828 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.825 3.185 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.930 2.198 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.791 3.028 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.013 2.090 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.501 3.105 5.381 1.00 0.00 H new ATOM 543 N THR A 34 17.315 5.243 2.502 1.00 0.00 N ATOM 544 CA THR A 34 18.628 5.154 1.825 1.00 0.00 C ATOM 545 C THR A 34 19.538 6.334 2.225 1.00 0.00 C ATOM 546 O THR A 34 20.737 6.341 1.906 1.00 0.00 O ATOM 547 CB THR A 34 18.435 5.068 0.273 1.00 0.00 C ATOM 548 OG1 THR A 34 19.702 5.006 -0.407 1.00 0.00 O ATOM 549 CG2 THR A 34 17.605 6.239 -0.278 1.00 0.00 C ATOM 0 H THR A 34 16.682 5.922 2.079 1.00 0.00 H new ATOM 0 HA THR A 34 19.127 4.241 2.150 1.00 0.00 H new ATOM 0 HB THR A 34 17.883 4.147 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.387 5.450 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.499 6.134 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.618 6.235 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.108 7.179 -0.053 1.00 0.00 H new ATOM 557 N GLY A 35 18.953 7.327 2.921 1.00 0.00 N ATOM 558 CA GLY A 35 19.719 8.425 3.506 1.00 0.00 C ATOM 559 C GLY A 35 20.117 9.503 2.509 1.00 0.00 C ATOM 560 O GLY A 35 21.069 10.250 2.760 1.00 0.00 O ATOM 0 H GLY A 35 17.948 7.384 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.131 8.881 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.620 8.020 3.967 1.00 0.00 H new ATOM 564 N ILE A 36 19.408 9.581 1.366 1.00 0.00 N ATOM 565 CA ILE A 36 19.649 10.633 0.356 1.00 0.00 C ATOM 566 C ILE A 36 18.749 11.838 0.674 1.00 0.00 C ATOM 567 O ILE A 36 17.533 11.667 0.835 1.00 0.00 O ATOM 568 CB ILE A 36 19.358 10.161 -1.124 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.986 8.760 -1.426 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.847 11.225 -2.145 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.496 8.678 -1.332 1.00 0.00 C ATOM 0 H ILE A 36 18.664 8.929 1.118 1.00 0.00 H new ATOM 0 HA ILE A 36 20.707 10.890 0.408 1.00 0.00 H new ATOM 0 HB ILE A 36 18.278 10.055 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.558 8.035 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.687 8.458 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.637 10.881 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.327 12.166 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.920 11.375 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.820 7.663 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.943 9.371 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.813 8.941 -0.323 1.00 0.00 H new ATOM 583 N ALA A 37 19.360 13.042 0.763 1.00 0.00 N ATOM 584 CA ALA A 37 18.641 14.314 0.985 1.00 0.00 C ATOM 585 C ALA A 37 17.538 14.512 -0.083 1.00 0.00 C ATOM 586 O ALA A 37 17.777 14.201 -1.253 1.00 0.00 O ATOM 587 CB ALA A 37 19.636 15.497 0.968 1.00 0.00 C ATOM 0 H ALA A 37 20.370 13.157 0.682 1.00 0.00 H new ATOM 0 HA ALA A 37 18.161 14.277 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.096 16.429 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.375 15.362 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.140 15.535 0.002 1.00 0.00 H new ATOM 593 N PRO A 38 16.311 15.015 0.311 1.00 0.00 N ATOM 594 CA PRO A 38 15.138 15.146 -0.607 1.00 0.00 C ATOM 595 C PRO A 38 15.456 15.937 -1.900 1.00 0.00 C ATOM 596 O PRO A 38 15.017 15.561 -2.987 1.00 0.00 O ATOM 597 CB PRO A 38 14.072 15.873 0.273 1.00 0.00 C ATOM 598 CG PRO A 38 14.851 16.470 1.409 1.00 0.00 C ATOM 599 CD PRO A 38 15.957 15.484 1.681 1.00 0.00 C ATOM 0 HA PRO A 38 14.803 14.178 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.549 16.643 -0.295 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.317 15.176 0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.251 17.448 1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.222 16.611 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.804 15.952 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.623 14.664 2.318 1.00 0.00 H new ATOM 607 N GLY A 39 16.255 17.005 -1.767 1.00 0.00 N ATOM 608 CA GLY A 39 16.665 17.830 -2.914 1.00 0.00 C ATOM 609 C GLY A 39 17.955 17.356 -3.583 1.00 0.00 C ATOM 610 O GLY A 39 18.643 18.146 -4.230 1.00 0.00 O ATOM 0 H GLY A 39 16.632 17.319 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.863 17.833 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.796 18.860 -2.581 1.00 0.00 H new ATOM 614 N SER A 40 18.299 16.077 -3.392 1.00 0.00 N ATOM 615 CA SER A 40 19.441 15.412 -4.062 1.00 0.00 C ATOM 616 C SER A 40 18.955 14.148 -4.795 1.00 0.00 C ATOM 617 O SER A 40 19.728 13.498 -5.507 1.00 0.00 O ATOM 618 CB SER A 40 20.510 15.046 -3.012 1.00 0.00 C ATOM 619 OG SER A 40 20.893 16.186 -2.265 1.00 0.00 O ATOM 0 H SER A 40 17.789 15.459 -2.760 1.00 0.00 H new ATOM 0 HA SER A 40 19.879 16.091 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.120 14.280 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.383 14.621 -3.508 1.00 0.00 H new ATOM 0 HG SER A 40 20.104 16.573 -1.830 1.00 0.00 H new ATOM 625 N GLN A 41 17.660 13.824 -4.613 1.00 0.00 N ATOM 626 CA GLN A 41 17.008 12.660 -5.222 1.00 0.00 C ATOM 627 C GLN A 41 15.706 13.104 -5.890 1.00 0.00 C ATOM 628 O GLN A 41 15.029 14.016 -5.406 1.00 0.00 O ATOM 629 CB GLN A 41 16.764 11.552 -4.156 1.00 0.00 C ATOM 630 CG GLN A 41 16.091 12.029 -2.839 1.00 0.00 C ATOM 631 CD GLN A 41 14.638 11.599 -2.660 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.204 11.506 -1.414 1.00 0.00 O flip ATOM 633 NE2 GLN A 41 13.899 11.382 -3.624 1.00 0.00 N flip ATOM 0 H GLN A 41 17.032 14.376 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 41 17.657 12.231 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.142 10.775 -4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.721 11.092 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.671 11.653 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.139 13.117 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.263 11.462 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.924 11.123 -3.471 1.00 0.00 H new ATOM 642 N ARG A 42 15.385 12.481 -7.035 1.00 0.00 N ATOM 643 CA ARG A 42 14.185 12.799 -7.832 1.00 0.00 C ATOM 644 C ARG A 42 13.499 11.495 -8.260 1.00 0.00 C ATOM 645 O ARG A 42 13.978 10.390 -7.964 1.00 0.00 O ATOM 646 CB ARG A 42 14.560 13.653 -9.084 1.00 0.00 C ATOM 647 CG ARG A 42 15.288 14.974 -8.754 1.00 0.00 C ATOM 648 CD ARG A 42 15.663 15.789 -10.000 1.00 0.00 C ATOM 649 NE ARG A 42 16.541 16.927 -9.657 1.00 0.00 N ATOM 650 CZ ARG A 42 16.134 18.185 -9.415 1.00 0.00 C ATOM 651 NH1 ARG A 42 14.847 18.503 -9.477 1.00 0.00 N ATOM 652 NH2 ARG A 42 17.022 19.122 -9.116 1.00 0.00 N ATOM 0 H ARG A 42 15.954 11.737 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 42 13.499 13.385 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.193 13.056 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.651 13.881 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.651 15.580 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.193 14.751 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.166 15.144 -10.720 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.757 16.159 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 42 17.542 16.742 -9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 42 14.156 17.790 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.549 19.461 -9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.014 18.888 -9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 42 16.714 20.077 -8.932 1.00 0.00 H new ATOM 666 N ILE A 43 12.377 11.640 -8.980 1.00 0.00 N ATOM 667 CA ILE A 43 11.533 10.510 -9.378 1.00 0.00 C ATOM 668 C ILE A 43 11.937 10.054 -10.783 1.00 0.00 C ATOM 669 O ILE A 43 11.518 10.620 -11.803 1.00 0.00 O ATOM 670 CB ILE A 43 10.002 10.886 -9.307 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.619 11.403 -7.877 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.100 9.699 -9.730 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.933 10.451 -6.731 1.00 0.00 C ATOM 0 H ILE A 43 12.032 12.544 -9.301 1.00 0.00 H new ATOM 0 HA ILE A 43 11.684 9.685 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 43 9.830 11.694 -10.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.140 12.344 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.551 11.622 -7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.053 9.997 -9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.335 9.411 -10.755 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.276 8.853 -9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.629 10.905 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.391 9.516 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.004 10.250 -6.708 1.00 0.00 H new ATOM 685 N LEU A 44 12.849 9.084 -10.797 1.00 0.00 N ATOM 686 CA LEU A 44 13.309 8.405 -12.009 1.00 0.00 C ATOM 687 C LEU A 44 12.765 6.979 -11.955 1.00 0.00 C ATOM 688 O LEU A 44 12.576 6.427 -10.870 1.00 0.00 O ATOM 689 CB LEU A 44 14.856 8.442 -12.067 1.00 0.00 C ATOM 690 CG LEU A 44 15.470 9.861 -11.845 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.985 9.792 -11.624 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.113 10.829 -13.005 1.00 0.00 C ATOM 0 H LEU A 44 13.299 8.740 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 44 12.949 8.894 -12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.253 7.764 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.181 8.065 -13.037 1.00 0.00 H new ATOM 0 HG LEU A 44 15.024 10.264 -10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.377 10.798 -11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.197 9.184 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.460 9.345 -12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.558 11.805 -12.814 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.500 10.431 -13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.030 10.931 -13.073 1.00 0.00 H new ATOM 704 N VAL A 45 12.497 6.392 -13.119 1.00 0.00 N ATOM 705 CA VAL A 45 11.718 5.140 -13.232 1.00 0.00 C ATOM 706 C VAL A 45 12.394 4.144 -14.188 1.00 0.00 C ATOM 707 O VAL A 45 13.448 4.439 -14.773 1.00 0.00 O ATOM 708 CB VAL A 45 10.238 5.447 -13.698 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.408 6.097 -12.562 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.232 6.345 -14.964 1.00 0.00 C ATOM 0 H VAL A 45 12.809 6.763 -14.016 1.00 0.00 H new ATOM 0 HA VAL A 45 11.682 4.679 -12.245 1.00 0.00 H new ATOM 0 HB VAL A 45 9.769 4.496 -13.949 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.397 6.294 -12.917 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.367 5.420 -11.708 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.876 7.034 -12.260 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.203 6.542 -15.265 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.733 7.288 -14.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.756 5.836 -15.773 1.00 0.00 H new ATOM 720 N GLY A 46 11.751 2.968 -14.346 1.00 0.00 N ATOM 721 CA GLY A 46 12.273 1.848 -15.148 1.00 0.00 C ATOM 722 C GLY A 46 12.168 2.042 -16.667 1.00 0.00 C ATOM 723 O GLY A 46 12.361 1.094 -17.434 1.00 0.00 O ATOM 0 H GLY A 46 10.848 2.770 -13.916 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.319 1.689 -14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.735 0.941 -14.873 1.00 0.00 H new ATOM 727 N TYR A 47 11.837 3.273 -17.086 1.00 0.00 N ATOM 728 CA TYR A 47 11.807 3.711 -18.492 1.00 0.00 C ATOM 729 C TYR A 47 12.276 5.187 -18.545 1.00 0.00 C ATOM 730 O TYR A 47 12.271 5.841 -17.492 1.00 0.00 O ATOM 731 CB TYR A 47 10.374 3.531 -19.090 1.00 0.00 C ATOM 732 CG TYR A 47 9.240 4.180 -18.279 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.587 3.470 -17.268 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.822 5.497 -18.517 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.571 4.040 -16.529 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.800 6.072 -17.772 1.00 0.00 C ATOM 737 CZ TYR A 47 7.178 5.336 -16.780 1.00 0.00 C ATOM 738 OH TYR A 47 6.161 5.898 -16.028 1.00 0.00 O ATOM 0 H TYR A 47 11.575 4.015 -16.437 1.00 0.00 H new ATOM 0 HA TYR A 47 12.477 3.102 -19.099 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.363 3.947 -20.097 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.168 2.465 -19.184 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.884 2.453 -17.061 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.303 6.074 -19.293 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.083 3.469 -15.753 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.493 7.089 -17.967 1.00 0.00 H new ATOM 0 HH TYR A 47 6.003 6.818 -16.327 1.00 0.00 H new ATOM 748 N PRO A 48 12.723 5.717 -19.749 1.00 0.00 N ATOM 749 CA PRO A 48 13.129 7.143 -19.927 1.00 0.00 C ATOM 750 C PRO A 48 12.220 8.163 -19.165 1.00 0.00 C ATOM 751 O PRO A 48 11.040 8.321 -19.508 1.00 0.00 O ATOM 752 CB PRO A 48 13.023 7.324 -21.460 1.00 0.00 C ATOM 753 CG PRO A 48 13.412 5.986 -22.020 1.00 0.00 C ATOM 754 CD PRO A 48 12.923 4.950 -21.016 1.00 0.00 C ATOM 0 HA PRO A 48 14.118 7.343 -19.514 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.012 7.601 -21.759 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.688 8.112 -21.814 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.958 5.826 -22.998 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.492 5.919 -22.155 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.995 4.484 -21.348 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.652 4.151 -20.884 1.00 0.00 H new ATOM 762 N PRO A 49 12.747 8.815 -18.067 1.00 0.00 N ATOM 763 CA PRO A 49 12.007 9.842 -17.296 1.00 0.00 C ATOM 764 C PRO A 49 12.050 11.235 -17.983 1.00 0.00 C ATOM 765 O PRO A 49 12.518 11.367 -19.122 1.00 0.00 O ATOM 766 CB PRO A 49 12.731 9.846 -15.902 1.00 0.00 C ATOM 767 CG PRO A 49 13.816 8.799 -15.999 1.00 0.00 C ATOM 768 CD PRO A 49 14.088 8.602 -17.475 1.00 0.00 C ATOM 0 HA PRO A 49 10.943 9.620 -17.215 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.153 10.827 -15.683 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.033 9.613 -15.098 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.717 9.123 -15.478 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.498 7.866 -15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.819 9.316 -17.854 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.475 7.606 -17.689 1.00 0.00 H new ATOM 776 N GLU A 50 11.549 12.263 -17.271 1.00 0.00 N ATOM 777 CA GLU A 50 11.514 13.662 -17.761 1.00 0.00 C ATOM 778 C GLU A 50 12.262 14.603 -16.786 1.00 0.00 C ATOM 779 O GLU A 50 12.138 15.832 -16.902 1.00 0.00 O ATOM 780 CB GLU A 50 10.027 14.110 -17.922 1.00 0.00 C ATOM 781 CG GLU A 50 9.223 13.348 -19.006 1.00 0.00 C ATOM 782 CD GLU A 50 9.704 13.647 -20.441 1.00 0.00 C ATOM 783 OE1 GLU A 50 10.601 12.939 -20.951 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.201 14.605 -21.069 1.00 0.00 O ATOM 0 H GLU A 50 11.155 12.150 -16.337 1.00 0.00 H new ATOM 0 HA GLU A 50 12.016 13.717 -18.727 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.521 13.988 -16.964 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.008 15.174 -18.159 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.299 12.277 -18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.169 13.612 -18.920 1.00 0.00 H new ATOM 791 N CYS A 51 13.073 14.008 -15.868 1.00 0.00 N ATOM 792 CA CYS A 51 13.684 14.716 -14.718 1.00 0.00 C ATOM 793 C CYS A 51 12.578 15.395 -13.886 1.00 0.00 C ATOM 794 O CYS A 51 12.377 16.618 -13.953 1.00 0.00 O ATOM 795 CB CYS A 51 14.782 15.721 -15.163 1.00 0.00 C ATOM 796 SG CYS A 51 16.158 14.962 -16.049 1.00 0.00 S ATOM 0 H CYS A 51 13.320 13.019 -15.909 1.00 0.00 H new ATOM 0 HA CYS A 51 14.192 13.984 -14.090 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.328 16.480 -15.800 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.169 16.233 -14.282 1.00 0.00 H new ATOM 0 HG CYS A 51 17.019 15.878 -16.380 1.00 0.00 H new ATOM 802 N LEU A 52 11.828 14.561 -13.156 1.00 0.00 N ATOM 803 CA LEU A 52 10.619 14.988 -12.438 1.00 0.00 C ATOM 804 C LEU A 52 10.984 15.768 -11.167 1.00 0.00 C ATOM 805 O LEU A 52 11.530 15.205 -10.209 1.00 0.00 O ATOM 806 CB LEU A 52 9.738 13.753 -12.125 1.00 0.00 C ATOM 807 CG LEU A 52 9.257 12.954 -13.381 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.496 11.681 -12.978 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.410 13.847 -14.328 1.00 0.00 C ATOM 0 H LEU A 52 12.042 13.570 -13.046 1.00 0.00 H new ATOM 0 HA LEU A 52 10.045 15.665 -13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.298 13.080 -11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.863 14.081 -11.564 1.00 0.00 H new ATOM 0 HG LEU A 52 10.144 12.642 -13.932 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.176 11.149 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.149 11.038 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.622 11.952 -12.385 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.091 13.262 -15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.533 14.214 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.010 14.692 -14.664 1.00 0.00 H new ATOM 821 N ASP A 53 10.727 17.086 -11.216 1.00 0.00 N ATOM 822 CA ASP A 53 10.936 18.011 -10.097 1.00 0.00 C ATOM 823 C ASP A 53 9.591 18.210 -9.381 1.00 0.00 C ATOM 824 O ASP A 53 8.584 18.549 -10.019 1.00 0.00 O ATOM 825 CB ASP A 53 11.489 19.371 -10.619 1.00 0.00 C ATOM 826 CG ASP A 53 11.929 20.352 -9.500 1.00 0.00 C ATOM 827 OD1 ASP A 53 11.089 20.759 -8.677 1.00 0.00 O ATOM 828 OD2 ASP A 53 13.121 20.748 -9.460 1.00 0.00 O ATOM 0 H ASP A 53 10.362 17.543 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 53 11.667 17.601 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.340 19.177 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.723 19.852 -11.228 1.00 0.00 H new ATOM 833 N LEU A 54 9.582 17.988 -8.060 1.00 0.00 N ATOM 834 CA LEU A 54 8.390 18.130 -7.217 1.00 0.00 C ATOM 835 C LEU A 54 8.457 19.491 -6.489 1.00 0.00 C ATOM 836 O LEU A 54 8.888 19.574 -5.336 1.00 0.00 O ATOM 837 CB LEU A 54 8.265 16.926 -6.224 1.00 0.00 C ATOM 838 CG LEU A 54 8.044 15.493 -6.850 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.281 14.984 -7.630 1.00 0.00 C ATOM 840 CD2 LEU A 54 7.627 14.464 -5.768 1.00 0.00 C ATOM 0 H LEU A 54 10.412 17.701 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 54 7.490 18.112 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.170 16.893 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.435 17.131 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 54 7.230 15.596 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.072 13.995 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.506 15.673 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.137 14.926 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.483 13.488 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.408 14.395 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.696 14.785 -5.300 1.00 0.00 H new ATOM 852 N SER A 55 8.104 20.571 -7.225 1.00 0.00 N ATOM 853 CA SER A 55 8.067 21.950 -6.681 1.00 0.00 C ATOM 854 C SER A 55 6.835 22.149 -5.779 1.00 0.00 C ATOM 855 O SER A 55 6.862 22.983 -4.868 1.00 0.00 O ATOM 856 CB SER A 55 8.043 22.989 -7.830 1.00 0.00 C ATOM 857 OG SER A 55 9.154 22.845 -8.699 1.00 0.00 O ATOM 0 H SER A 55 7.838 20.512 -8.208 1.00 0.00 H new ATOM 0 HA SER A 55 8.968 22.098 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.120 22.878 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.039 23.995 -7.410 1.00 0.00 H new ATOM 0 HG SER A 55 9.670 22.052 -8.442 1.00 0.00 H new ATOM 863 N ASP A 56 5.757 21.397 -6.064 1.00 0.00 N ATOM 864 CA ASP A 56 4.517 21.446 -5.272 1.00 0.00 C ATOM 865 C ASP A 56 4.692 20.628 -3.979 1.00 0.00 C ATOM 866 O ASP A 56 5.474 19.679 -3.950 1.00 0.00 O ATOM 867 CB ASP A 56 3.320 20.926 -6.105 1.00 0.00 C ATOM 868 CG ASP A 56 1.954 21.166 -5.424 1.00 0.00 C ATOM 869 OD1 ASP A 56 1.378 22.262 -5.589 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.472 20.276 -4.699 1.00 0.00 O ATOM 0 H ASP A 56 5.721 20.742 -6.845 1.00 0.00 H new ATOM 0 HA ASP A 56 4.307 22.481 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.324 21.415 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.447 19.858 -6.284 1.00 0.00 H new ATOM 875 N ARG A 57 3.950 20.996 -2.927 1.00 0.00 N ATOM 876 CA ARG A 57 4.135 20.442 -1.560 1.00 0.00 C ATOM 877 C ARG A 57 3.044 19.406 -1.213 1.00 0.00 C ATOM 878 O ARG A 57 3.271 18.475 -0.423 1.00 0.00 O ATOM 879 CB ARG A 57 4.164 21.589 -0.495 1.00 0.00 C ATOM 880 CG ARG A 57 2.814 22.311 -0.184 1.00 0.00 C ATOM 881 CD ARG A 57 2.294 23.216 -1.319 1.00 0.00 C ATOM 882 NE ARG A 57 1.052 23.921 -0.942 1.00 0.00 N ATOM 883 CZ ARG A 57 0.420 24.836 -1.695 1.00 0.00 C ATOM 884 NH1 ARG A 57 0.885 25.191 -2.885 1.00 0.00 N ATOM 885 NH2 ARG A 57 -0.685 25.404 -1.251 1.00 0.00 N ATOM 0 H ARG A 57 3.201 21.686 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 57 5.096 19.928 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.548 21.174 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.880 22.341 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.057 21.559 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.938 22.914 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.060 23.946 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.112 22.613 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 57 0.641 23.695 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.740 24.767 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.388 25.888 -3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.058 25.148 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.166 26.099 -1.822 1.00 0.00 H new ATOM 899 N ASP A 58 1.857 19.585 -1.810 1.00 0.00 N ATOM 900 CA ASP A 58 0.680 18.722 -1.563 1.00 0.00 C ATOM 901 C ASP A 58 0.661 17.529 -2.543 1.00 0.00 C ATOM 902 O ASP A 58 -0.098 16.573 -2.352 1.00 0.00 O ATOM 903 CB ASP A 58 -0.617 19.573 -1.684 1.00 0.00 C ATOM 904 CG ASP A 58 -1.874 18.862 -1.142 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.955 18.639 0.088 1.00 0.00 O ATOM 906 OD2 ASP A 58 -2.786 18.520 -1.927 1.00 0.00 O ATOM 0 H ASP A 58 1.680 20.333 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 58 0.738 18.312 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.479 20.510 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.777 19.829 -2.731 1.00 0.00 H new ATOM 911 N ILE A 59 1.529 17.610 -3.573 1.00 0.00 N ATOM 912 CA ILE A 59 1.627 16.634 -4.678 1.00 0.00 C ATOM 913 C ILE A 59 1.885 15.203 -4.155 1.00 0.00 C ATOM 914 O ILE A 59 2.725 14.995 -3.274 1.00 0.00 O ATOM 915 CB ILE A 59 2.746 17.078 -5.698 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.684 16.248 -7.015 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.167 17.029 -5.074 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.691 16.680 -8.072 1.00 0.00 C ATOM 0 H ILE A 59 2.198 18.375 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 59 0.669 16.615 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 59 2.541 18.119 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.851 15.197 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.680 16.324 -7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.901 17.343 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.210 17.698 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.389 16.011 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.582 16.052 -8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.512 17.721 -8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.701 16.576 -7.676 1.00 0.00 H new ATOM 930 N THR A 60 1.134 14.235 -4.697 1.00 0.00 N ATOM 931 CA THR A 60 1.068 12.863 -4.174 1.00 0.00 C ATOM 932 C THR A 60 1.588 11.843 -5.205 1.00 0.00 C ATOM 933 O THR A 60 1.927 12.205 -6.334 1.00 0.00 O ATOM 934 CB THR A 60 -0.407 12.505 -3.800 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.236 12.565 -4.972 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.981 13.441 -2.722 1.00 0.00 C ATOM 0 H THR A 60 0.549 14.384 -5.519 1.00 0.00 H new ATOM 0 HA THR A 60 1.701 12.815 -3.288 1.00 0.00 H new ATOM 0 HB THR A 60 -0.400 11.494 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.159 12.338 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.007 13.151 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.377 13.368 -1.818 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.966 14.468 -3.086 1.00 0.00 H new ATOM 944 N LEU A 61 1.587 10.551 -4.812 1.00 0.00 N ATOM 945 CA LEU A 61 1.947 9.422 -5.702 1.00 0.00 C ATOM 946 C LEU A 61 0.893 9.215 -6.811 1.00 0.00 C ATOM 947 O LEU A 61 1.135 8.470 -7.756 1.00 0.00 O ATOM 948 CB LEU A 61 2.100 8.116 -4.883 1.00 0.00 C ATOM 949 CG LEU A 61 3.047 8.184 -3.653 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.205 6.799 -2.998 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.411 8.802 -4.015 1.00 0.00 C ATOM 0 H LEU A 61 1.336 10.259 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 61 2.898 9.670 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.112 7.810 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.461 7.333 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 61 2.585 8.845 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.873 6.876 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.230 6.439 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.624 6.100 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.044 8.832 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.892 8.197 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.264 9.815 -4.390 1.00 0.00 H new ATOM 963 N GLY A 62 -0.283 9.856 -6.655 1.00 0.00 N ATOM 964 CA GLY A 62 -1.312 9.881 -7.700 1.00 0.00 C ATOM 965 C GLY A 62 -0.850 10.625 -8.956 1.00 0.00 C ATOM 966 O GLY A 62 -1.261 10.285 -10.068 1.00 0.00 O ATOM 0 H GLY A 62 -0.539 10.364 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.582 8.859 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.211 10.357 -7.309 1.00 0.00 H new ATOM 970 N ASP A 63 0.019 11.639 -8.769 1.00 0.00 N ATOM 971 CA ASP A 63 0.599 12.420 -9.880 1.00 0.00 C ATOM 972 C ASP A 63 1.831 11.691 -10.431 1.00 0.00 C ATOM 973 O ASP A 63 1.915 11.399 -11.632 1.00 0.00 O ATOM 974 CB ASP A 63 0.986 13.842 -9.407 1.00 0.00 C ATOM 975 CG ASP A 63 1.584 14.720 -10.533 1.00 0.00 C ATOM 976 OD1 ASP A 63 2.821 14.693 -10.750 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.818 15.446 -11.208 1.00 0.00 O ATOM 0 H ASP A 63 0.337 11.938 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.147 12.516 -10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.103 14.335 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.709 13.763 -8.595 1.00 0.00 H new ATOM 982 N LEU A 64 2.787 11.414 -9.530 1.00 0.00 N ATOM 983 CA LEU A 64 4.082 10.818 -9.894 1.00 0.00 C ATOM 984 C LEU A 64 3.929 9.321 -10.283 1.00 0.00 C ATOM 985 O LEU A 64 3.018 8.651 -9.801 1.00 0.00 O ATOM 986 CB LEU A 64 5.123 10.979 -8.747 1.00 0.00 C ATOM 987 CG LEU A 64 5.654 12.414 -8.434 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.129 13.140 -9.709 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.626 13.235 -7.639 1.00 0.00 C ATOM 0 H LEU A 64 2.684 11.596 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 64 4.451 11.358 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.679 10.581 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.981 10.350 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 64 6.531 12.306 -7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.491 14.135 -9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.935 12.571 -10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.298 13.228 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.029 14.228 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.707 13.327 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.412 12.734 -6.695 1.00 0.00 H new ATOM 1001 N PRO A 65 4.834 8.775 -11.170 1.00 0.00 N ATOM 1002 CA PRO A 65 4.797 7.347 -11.627 1.00 0.00 C ATOM 1003 C PRO A 65 5.153 6.287 -10.543 1.00 0.00 C ATOM 1004 O PRO A 65 5.504 5.155 -10.898 1.00 0.00 O ATOM 1005 CB PRO A 65 5.830 7.324 -12.803 1.00 0.00 C ATOM 1006 CG PRO A 65 6.069 8.759 -13.150 1.00 0.00 C ATOM 1007 CD PRO A 65 5.924 9.507 -11.854 1.00 0.00 C ATOM 0 HA PRO A 65 3.782 7.062 -11.904 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.756 6.833 -12.503 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.439 6.773 -13.658 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.062 8.901 -13.578 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.350 9.110 -13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.847 9.492 -11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.667 10.553 -12.018 1.00 0.00 H new ATOM 1015 N ILE A 66 5.027 6.633 -9.237 1.00 0.00 N ATOM 1016 CA ILE A 66 5.181 5.649 -8.147 1.00 0.00 C ATOM 1017 C ILE A 66 3.920 4.779 -8.149 1.00 0.00 C ATOM 1018 O ILE A 66 2.810 5.293 -7.976 1.00 0.00 O ATOM 1019 CB ILE A 66 5.367 6.274 -6.696 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.704 7.070 -6.536 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.283 5.178 -5.603 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.747 8.403 -7.228 1.00 0.00 C ATOM 0 H ILE A 66 4.821 7.580 -8.919 1.00 0.00 H new ATOM 0 HA ILE A 66 6.098 5.093 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 66 4.548 6.982 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.890 7.225 -5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.520 6.456 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.413 5.633 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.309 4.690 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.067 4.439 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.716 8.872 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.599 8.262 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.958 9.043 -6.833 1.00 0.00 H new ATOM 1034 N GLN A 67 4.100 3.488 -8.415 1.00 0.00 N ATOM 1035 CA GLN A 67 3.027 2.485 -8.387 1.00 0.00 C ATOM 1036 C GLN A 67 3.347 1.417 -7.324 1.00 0.00 C ATOM 1037 O GLN A 67 4.432 1.429 -6.721 1.00 0.00 O ATOM 1038 CB GLN A 67 2.856 1.867 -9.807 1.00 0.00 C ATOM 1039 CG GLN A 67 2.598 2.917 -10.916 1.00 0.00 C ATOM 1040 CD GLN A 67 2.229 2.299 -12.268 1.00 0.00 C ATOM 1041 OE1 GLN A 67 3.085 2.072 -13.118 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.955 1.991 -12.462 1.00 0.00 N ATOM 0 H GLN A 67 5.010 3.098 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 67 2.080 2.950 -8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.753 1.300 -10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.027 1.160 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.794 3.581 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.490 3.532 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.266 2.192 -11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.664 1.553 -13.336 1.00 0.00 H new ATOM 1051 N SER A 68 2.396 0.502 -7.094 1.00 0.00 N ATOM 1052 CA SER A 68 2.535 -0.568 -6.098 1.00 0.00 C ATOM 1053 C SER A 68 3.566 -1.609 -6.584 1.00 0.00 C ATOM 1054 O SER A 68 3.266 -2.424 -7.460 1.00 0.00 O ATOM 1055 CB SER A 68 1.153 -1.214 -5.848 1.00 0.00 C ATOM 1056 OG SER A 68 0.193 -0.229 -5.502 1.00 0.00 O ATOM 0 H SER A 68 1.507 0.483 -7.594 1.00 0.00 H new ATOM 0 HA SER A 68 2.898 -0.156 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.828 -1.747 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.230 -1.950 -5.048 1.00 0.00 H new ATOM 0 HG SER A 68 0.423 0.160 -4.633 1.00 0.00 H new ATOM 1062 N GLY A 69 4.794 -1.534 -6.036 1.00 0.00 N ATOM 1063 CA GLY A 69 5.885 -2.431 -6.444 1.00 0.00 C ATOM 1064 C GLY A 69 6.700 -1.891 -7.613 1.00 0.00 C ATOM 1065 O GLY A 69 7.386 -2.656 -8.296 1.00 0.00 O ATOM 0 H GLY A 69 5.052 -0.863 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.547 -2.598 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.467 -3.400 -6.717 1.00 0.00 H new ATOM 1069 N ASP A 70 6.632 -0.566 -7.840 1.00 0.00 N ATOM 1070 CA ASP A 70 7.343 0.099 -8.954 1.00 0.00 C ATOM 1071 C ASP A 70 8.829 0.313 -8.611 1.00 0.00 C ATOM 1072 O ASP A 70 9.223 0.267 -7.436 1.00 0.00 O ATOM 1073 CB ASP A 70 6.662 1.455 -9.280 1.00 0.00 C ATOM 1074 CG ASP A 70 7.116 2.079 -10.619 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.684 1.578 -11.676 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.910 3.045 -10.623 1.00 0.00 O ATOM 0 H ASP A 70 6.087 0.073 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 70 7.291 -0.546 -9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.582 1.311 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.871 2.158 -8.474 1.00 0.00 H new ATOM 1081 N MET A 71 9.632 0.558 -9.658 1.00 0.00 N ATOM 1082 CA MET A 71 11.081 0.756 -9.550 1.00 0.00 C ATOM 1083 C MET A 71 11.409 2.254 -9.661 1.00 0.00 C ATOM 1084 O MET A 71 11.349 2.842 -10.748 1.00 0.00 O ATOM 1085 CB MET A 71 11.828 -0.056 -10.645 1.00 0.00 C ATOM 1086 CG MET A 71 13.370 0.007 -10.594 1.00 0.00 C ATOM 1087 SD MET A 71 14.126 -0.986 -9.275 1.00 0.00 S ATOM 1088 CE MET A 71 13.922 0.035 -7.822 1.00 0.00 C ATOM 0 H MET A 71 9.286 0.625 -10.615 1.00 0.00 H new ATOM 0 HA MET A 71 11.417 0.394 -8.578 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.523 -1.100 -10.568 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.501 0.301 -11.622 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.766 -0.326 -11.553 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.674 1.046 -10.468 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.822 -0.020 -7.209 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.751 1.068 -8.124 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.068 -0.320 -7.245 1.00 0.00 H new ATOM 1098 N LEU A 72 11.730 2.861 -8.511 1.00 0.00 N ATOM 1099 CA LEU A 72 12.117 4.276 -8.407 1.00 0.00 C ATOM 1100 C LEU A 72 13.630 4.364 -8.186 1.00 0.00 C ATOM 1101 O LEU A 72 14.131 3.950 -7.144 1.00 0.00 O ATOM 1102 CB LEU A 72 11.343 4.996 -7.254 1.00 0.00 C ATOM 1103 CG LEU A 72 9.832 5.296 -7.508 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.632 6.124 -8.793 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.974 4.016 -7.524 1.00 0.00 C ATOM 0 H LEU A 72 11.728 2.377 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 72 11.854 4.784 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.423 4.384 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.847 5.939 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 72 9.485 5.896 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.569 6.315 -8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.162 7.072 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.023 5.571 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.932 4.279 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.323 3.354 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.059 3.509 -6.563 1.00 0.00 H new ATOM 1117 N ILE A 73 14.346 4.887 -9.188 1.00 0.00 N ATOM 1118 CA ILE A 73 15.799 5.048 -9.135 1.00 0.00 C ATOM 1119 C ILE A 73 16.098 6.349 -8.380 1.00 0.00 C ATOM 1120 O ILE A 73 15.973 7.458 -8.928 1.00 0.00 O ATOM 1121 CB ILE A 73 16.481 5.044 -10.567 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.310 3.659 -11.307 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.986 5.417 -10.461 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.897 3.306 -11.759 1.00 0.00 C ATOM 0 H ILE A 73 13.930 5.211 -10.061 1.00 0.00 H new ATOM 0 HA ILE A 73 16.228 4.191 -8.615 1.00 0.00 H new ATOM 0 HB ILE A 73 15.969 5.798 -11.165 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.960 3.656 -12.182 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.664 2.870 -10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.434 5.408 -11.455 1.00 0.00 H new ATOM 0 HG22 ILE A 73 18.085 6.412 -10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.497 4.693 -9.826 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.905 2.335 -12.253 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.237 3.267 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.537 4.064 -12.455 1.00 0.00 H new ATOM 1136 N VAL A 74 16.399 6.186 -7.090 1.00 0.00 N ATOM 1137 CA VAL A 74 16.805 7.278 -6.211 1.00 0.00 C ATOM 1138 C VAL A 74 18.256 7.669 -6.530 1.00 0.00 C ATOM 1139 O VAL A 74 19.203 6.941 -6.199 1.00 0.00 O ATOM 1140 CB VAL A 74 16.643 6.874 -4.695 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.202 7.959 -3.737 1.00 0.00 C ATOM 1142 CG2 VAL A 74 15.159 6.568 -4.378 1.00 0.00 C ATOM 0 H VAL A 74 16.366 5.280 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 74 16.158 8.138 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 74 17.233 5.972 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.068 7.636 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.263 8.108 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.668 8.896 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 74 15.061 6.290 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.554 7.453 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.815 5.745 -5.005 1.00 0.00 H new ATOM 1152 N GLU A 75 18.395 8.810 -7.213 1.00 0.00 N ATOM 1153 CA GLU A 75 19.696 9.403 -7.541 1.00 0.00 C ATOM 1154 C GLU A 75 20.289 10.082 -6.296 1.00 0.00 C ATOM 1155 O GLU A 75 19.600 10.272 -5.287 1.00 0.00 O ATOM 1156 CB GLU A 75 19.537 10.452 -8.682 1.00 0.00 C ATOM 1157 CG GLU A 75 18.552 11.594 -8.343 1.00 0.00 C ATOM 1158 CD GLU A 75 18.610 12.773 -9.318 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.454 13.670 -9.116 1.00 0.00 O ATOM 1160 OE2 GLU A 75 17.838 12.801 -10.302 1.00 0.00 O ATOM 0 H GLU A 75 17.602 9.352 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 75 20.367 8.612 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.513 10.881 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.195 9.945 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.538 11.194 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.763 11.956 -7.337 1.00 0.00 H new ATOM 1167 N GLU A 76 21.570 10.433 -6.383 1.00 0.00 N ATOM 1168 CA GLU A 76 22.251 11.260 -5.388 1.00 0.00 C ATOM 1169 C GLU A 76 23.120 12.278 -6.126 1.00 0.00 C ATOM 1170 O GLU A 76 24.160 11.929 -6.690 1.00 0.00 O ATOM 1171 CB GLU A 76 23.114 10.408 -4.424 1.00 0.00 C ATOM 1172 CG GLU A 76 23.772 11.227 -3.293 1.00 0.00 C ATOM 1173 CD GLU A 76 24.813 10.423 -2.500 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.938 10.239 -3.003 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.523 9.964 -1.378 1.00 0.00 O ATOM 0 H GLU A 76 22.172 10.148 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 76 21.505 11.768 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.490 9.631 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.893 9.904 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.250 12.108 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.999 11.582 -2.612 1.00 0.00 H new ATOM 1182 N ASP A 77 22.650 13.529 -6.169 1.00 0.00 N ATOM 1183 CA ASP A 77 23.413 14.663 -6.717 1.00 0.00 C ATOM 1184 C ASP A 77 24.437 15.183 -5.675 1.00 0.00 C ATOM 1185 O ASP A 77 25.385 15.899 -6.025 1.00 0.00 O ATOM 1186 CB ASP A 77 22.426 15.788 -7.146 1.00 0.00 C ATOM 1187 CG ASP A 77 23.090 16.895 -8.005 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.169 16.728 -9.240 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.534 17.933 -7.456 1.00 0.00 O ATOM 0 H ASP A 77 21.726 13.788 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 77 23.973 14.335 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.605 15.345 -7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.993 16.241 -6.254 1.00 0.00 H new ATOM 1194 N GLN A 78 24.230 14.768 -4.395 1.00 0.00 N ATOM 1195 CA GLN A 78 24.985 15.239 -3.209 1.00 0.00 C ATOM 1196 C GLN A 78 24.771 16.748 -2.969 1.00 0.00 C ATOM 1197 O GLN A 78 25.622 17.414 -2.371 1.00 0.00 O ATOM 1198 CB GLN A 78 26.508 14.885 -3.285 1.00 0.00 C ATOM 1199 CG GLN A 78 26.798 13.385 -3.387 1.00 0.00 C ATOM 1200 CD GLN A 78 28.266 13.023 -3.174 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.052 12.965 -4.115 1.00 0.00 O ATOM 1202 NE2 GLN A 78 28.646 12.787 -1.925 1.00 0.00 N ATOM 0 H GLN A 78 23.515 14.080 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 78 24.582 14.701 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 78 26.944 15.388 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 78 27.006 15.281 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.193 12.857 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.485 13.030 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.967 12.844 -1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.617 12.549 -1.724 1.00 0.00 H new ATOM 1211 N THR A 79 23.591 17.256 -3.403 1.00 0.00 N ATOM 1212 CA THR A 79 23.223 18.679 -3.279 1.00 0.00 C ATOM 1213 C THR A 79 23.128 19.086 -1.797 1.00 0.00 C ATOM 1214 O THR A 79 23.574 20.171 -1.412 1.00 0.00 O ATOM 1215 CB THR A 79 21.850 18.979 -3.972 1.00 0.00 C ATOM 1216 OG1 THR A 79 21.760 18.283 -5.208 1.00 0.00 O ATOM 1217 CG2 THR A 79 21.638 20.485 -4.228 1.00 0.00 C ATOM 0 H THR A 79 22.871 16.687 -3.848 1.00 0.00 H new ATOM 0 HA THR A 79 24.004 19.256 -3.774 1.00 0.00 H new ATOM 0 HB THR A 79 21.072 18.639 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 79 22.589 18.409 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.673 20.640 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 79 21.661 21.022 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.431 20.859 -4.876 1.00 0.00 H new ATOM 1225 N ARG A 80 22.577 18.144 -0.992 1.00 0.00 N ATOM 1226 CA ARG A 80 22.227 18.316 0.440 1.00 0.00 C ATOM 1227 C ARG A 80 21.627 19.713 0.782 1.00 0.00 C ATOM 1228 O ARG A 80 22.280 20.527 1.439 1.00 0.00 O ATOM 1229 CB ARG A 80 23.408 17.911 1.399 1.00 0.00 C ATOM 1230 CG ARG A 80 24.795 18.513 1.054 1.00 0.00 C ATOM 1231 CD ARG A 80 25.832 18.322 2.165 1.00 0.00 C ATOM 1232 NE ARG A 80 25.504 19.120 3.352 1.00 0.00 N ATOM 1233 CZ ARG A 80 26.048 18.983 4.562 1.00 0.00 C ATOM 1234 NH1 ARG A 80 26.931 18.020 4.823 1.00 0.00 N ATOM 1235 NH2 ARG A 80 25.692 19.811 5.524 1.00 0.00 N ATOM 0 H ARG A 80 22.356 17.209 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 80 21.417 17.610 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 80 23.146 18.210 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 80 23.494 16.824 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 80 25.165 18.053 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.681 19.578 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 80 25.884 17.268 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 80 26.818 18.605 1.796 1.00 0.00 H new ATOM 0 HE ARG A 80 24.796 19.845 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 80 27.205 17.367 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 80 27.333 17.936 5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.008 20.545 5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 80 26.100 19.718 6.454 1.00 0.00 H new ATOM 1249 N PRO A 81 20.378 20.029 0.291 1.00 0.00 N ATOM 1250 CA PRO A 81 19.647 21.248 0.684 1.00 0.00 C ATOM 1251 C PRO A 81 18.885 21.026 2.009 1.00 0.00 C ATOM 1252 O PRO A 81 18.144 20.042 2.156 1.00 0.00 O ATOM 1253 CB PRO A 81 18.675 21.507 -0.517 1.00 0.00 C ATOM 1254 CG PRO A 81 18.935 20.386 -1.493 1.00 0.00 C ATOM 1255 CD PRO A 81 19.585 19.270 -0.701 1.00 0.00 C ATOM 0 HA PRO A 81 20.301 22.100 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.636 21.508 -0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.866 22.478 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.006 20.047 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.586 20.718 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 81 18.848 18.622 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.212 18.635 -1.327 1.00 0.00 H new ATOM 1263 N LYS A 82 19.058 21.954 2.957 1.00 0.00 N ATOM 1264 CA LYS A 82 18.440 21.885 4.293 1.00 0.00 C ATOM 1265 C LYS A 82 17.115 22.669 4.327 1.00 0.00 C ATOM 1266 O LYS A 82 16.800 23.351 5.317 1.00 0.00 O ATOM 1267 CB LYS A 82 19.441 22.405 5.351 1.00 0.00 C ATOM 1268 CG LYS A 82 20.702 21.526 5.514 1.00 0.00 C ATOM 1269 CD LYS A 82 21.594 21.993 6.679 1.00 0.00 C ATOM 1270 CE LYS A 82 20.855 21.950 8.027 1.00 0.00 C ATOM 1271 NZ LYS A 82 21.713 22.401 9.134 1.00 0.00 N ATOM 0 H LYS A 82 19.636 22.783 2.820 1.00 0.00 H new ATOM 0 HA LYS A 82 18.200 20.848 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.748 23.415 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.933 22.474 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.402 20.492 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.278 21.545 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.481 21.361 6.732 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.938 23.009 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.967 22.580 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.514 20.933 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.180 22.358 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.548 21.784 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.018 23.380 8.960 1.00 0.00 H new ATOM 1285 N ALA A 83 16.328 22.526 3.246 1.00 0.00 N ATOM 1286 CA ALA A 83 14.967 23.080 3.158 1.00 0.00 C ATOM 1287 C ALA A 83 14.065 22.425 4.222 1.00 0.00 C ATOM 1288 O ALA A 83 13.276 23.101 4.901 1.00 0.00 O ATOM 1289 CB ALA A 83 14.404 22.860 1.741 1.00 0.00 C ATOM 0 H ALA A 83 16.619 22.022 2.408 1.00 0.00 H new ATOM 0 HA ALA A 83 14.997 24.152 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.397 23.272 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.044 23.360 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.373 21.792 1.524 1.00 0.00 H new ATOM 1295 N SER A 84 14.221 21.100 4.359 1.00 0.00 N ATOM 1296 CA SER A 84 13.547 20.292 5.377 1.00 0.00 C ATOM 1297 C SER A 84 14.518 19.179 5.847 1.00 0.00 C ATOM 1298 O SER A 84 14.546 18.090 5.257 1.00 0.00 O ATOM 1299 CB SER A 84 12.222 19.717 4.811 1.00 0.00 C ATOM 1300 OG SER A 84 12.426 19.004 3.595 1.00 0.00 O ATOM 0 H SER A 84 14.832 20.553 3.752 1.00 0.00 H new ATOM 0 HA SER A 84 13.282 20.904 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.770 19.054 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.517 20.531 4.640 1.00 0.00 H new ATOM 0 HG SER A 84 13.265 18.500 3.648 1.00 0.00 H new ATOM 1306 N PRO A 85 15.402 19.466 6.872 1.00 0.00 N ATOM 1307 CA PRO A 85 16.371 18.475 7.399 1.00 0.00 C ATOM 1308 C PRO A 85 15.670 17.402 8.279 1.00 0.00 C ATOM 1309 O PRO A 85 15.721 16.204 7.980 1.00 0.00 O ATOM 1310 CB PRO A 85 17.390 19.342 8.215 1.00 0.00 C ATOM 1311 CG PRO A 85 16.999 20.781 7.968 1.00 0.00 C ATOM 1312 CD PRO A 85 15.538 20.763 7.585 1.00 0.00 C ATOM 0 HA PRO A 85 16.860 17.902 6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 85 17.345 19.102 9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 85 18.413 19.153 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 85 17.160 21.386 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 85 17.604 21.218 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.890 20.814 8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 85 15.277 21.606 6.945 1.00 0.00 H new ATOM 1320 N SER A 86 15.034 17.870 9.369 1.00 0.00 N ATOM 1321 CA SER A 86 14.260 17.036 10.312 1.00 0.00 C ATOM 1322 C SER A 86 13.090 17.884 10.878 1.00 0.00 C ATOM 1323 O SER A 86 11.921 17.646 10.506 1.00 0.00 O ATOM 1324 CB SER A 86 15.180 16.520 11.453 1.00 0.00 C ATOM 1325 OG SER A 86 16.264 15.754 10.947 1.00 0.00 O ATOM 1326 OXT SER A 86 13.359 18.838 11.644 1.00 0.00 O ATOM 0 H SER A 86 15.043 18.857 9.625 1.00 0.00 H new ATOM 0 HA SER A 86 13.855 16.165 9.797 1.00 0.00 H new ATOM 0 HB2 SER A 86 15.566 17.367 12.020 1.00 0.00 H new ATOM 0 HB3 SER A 86 14.596 15.912 12.145 1.00 0.00 H new ATOM 0 HG SER A 86 16.823 15.447 11.691 1.00 0.00 H new TER 1332 SER A 86