USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 796 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 22 ASN : amide:sc= -1.83! C(o=-2.5!,f=-11!) USER MOD Set 1.2: A 25 THR OG1 : rot -3:sc= -0.628 USER MOD Single : A 2 SER OG : rot -31:sc= 0.512 USER MOD Single : A 4 THR OG1 : rot -81:sc= -1.74 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -0.0217 USER MOD Single : A 10 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= -0.0443 (180deg=-0.225) USER MOD Single : A 28 TYR OH : rot -58:sc= 0.00519 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -110:sc= 0.751 USER MOD Single : A 39 MET CE :methyl -159:sc= -0.157 (180deg=-0.725) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -140:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 157:sc= -0.345 (180deg=-1.08) USER MOD Single : A 68 GLN : amide:sc= -4.8! C(o=-4.8!,f=-4.5!) USER MOD Single : A 70 GLN : amide:sc= -0.949 K(o=-0.95,f=-0.042) USER MOD Single : A 75 GLN : amide:sc= -2.68! C(o=-2.7!,f=-8.1!) USER MOD Single : A 76 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.23) USER MOD Single : A 78 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.1) USER MOD Single : A 82 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.73) USER MOD Single : A 90 TYR OH : rot -80:sc= 0.359 USER MOD Single : A 94 GLN : amide:sc= -2.48 K(o=-2.5,f=-3.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 1.991 3.409 -0.608 1.00 0.00 N ATOM 19 CA SER A 2 1.046 4.459 -0.940 1.00 0.00 C ATOM 20 C SER A 2 1.719 5.548 -1.772 1.00 0.00 C ATOM 21 O SER A 2 2.944 5.692 -1.748 1.00 0.00 O ATOM 22 CB SER A 2 0.459 5.038 0.347 1.00 0.00 C ATOM 23 OG SER A 2 1.436 5.075 1.375 1.00 0.00 O ATOM 0 HA SER A 2 0.239 4.039 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.083 6.044 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.390 4.435 0.668 1.00 0.00 H new ATOM 0 HG SER A 2 2.069 4.338 1.251 1.00 0.00 H new ATOM 29 N ILE A 3 0.917 6.299 -2.513 1.00 0.00 N ATOM 30 CA ILE A 3 1.433 7.340 -3.390 1.00 0.00 C ATOM 31 C ILE A 3 2.012 8.495 -2.582 1.00 0.00 C ATOM 32 O ILE A 3 1.416 8.951 -1.603 1.00 0.00 O ATOM 33 CB ILE A 3 0.337 7.870 -4.341 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.321 6.706 -5.088 1.00 0.00 C ATOM 35 CG2 ILE A 3 0.917 8.875 -5.329 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.657 5.831 -5.844 1.00 0.00 C ATOM 0 H ILE A 3 -0.099 6.206 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 3 2.226 6.893 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.420 8.379 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.867 6.090 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.054 7.105 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.127 9.234 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.345 9.716 -4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.694 8.394 -5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.115 5.030 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.185 6.432 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.375 5.401 -5.146 1.00 0.00 H new ATOM 48 N THR A 4 3.181 8.950 -2.995 1.00 0.00 N ATOM 49 CA THR A 4 3.880 10.016 -2.308 1.00 0.00 C ATOM 50 C THR A 4 3.539 11.375 -2.911 1.00 0.00 C ATOM 51 O THR A 4 2.798 11.465 -3.891 1.00 0.00 O ATOM 52 CB THR A 4 5.399 9.789 -2.388 1.00 0.00 C ATOM 53 OG1 THR A 4 5.797 9.675 -3.762 1.00 0.00 O ATOM 54 CG2 THR A 4 5.794 8.525 -1.638 1.00 0.00 C ATOM 0 H THR A 4 3.670 8.591 -3.815 1.00 0.00 H new ATOM 0 HA THR A 4 3.562 10.008 -1.266 1.00 0.00 H new ATOM 0 HB THR A 4 5.902 10.639 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.619 8.765 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.872 8.383 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.507 8.619 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.286 7.667 -2.078 1.00 0.00 H new ATOM 62 N SER A 5 4.096 12.421 -2.327 1.00 0.00 N ATOM 63 CA SER A 5 3.888 13.779 -2.800 1.00 0.00 C ATOM 64 C SER A 5 4.831 14.091 -3.965 1.00 0.00 C ATOM 65 O SER A 5 5.480 13.187 -4.499 1.00 0.00 O ATOM 66 CB SER A 5 4.106 14.757 -1.647 1.00 0.00 C ATOM 67 OG SER A 5 3.254 14.450 -0.555 1.00 0.00 O ATOM 0 H SER A 5 4.705 12.354 -1.512 1.00 0.00 H new ATOM 0 HA SER A 5 2.865 13.882 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.146 14.718 -1.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.915 15.775 -1.987 1.00 0.00 H new ATOM 0 HG SER A 5 3.412 15.088 0.172 1.00 0.00 H new ATOM 73 N THR A 6 4.894 15.367 -4.352 1.00 0.00 N ATOM 74 CA THR A 6 5.726 15.829 -5.469 1.00 0.00 C ATOM 75 C THR A 6 7.179 15.336 -5.355 1.00 0.00 C ATOM 76 O THR A 6 7.900 15.253 -6.356 1.00 0.00 O ATOM 77 CB THR A 6 5.702 17.369 -5.550 1.00 0.00 C ATOM 78 OG1 THR A 6 4.343 17.821 -5.591 1.00 0.00 O ATOM 79 CG2 THR A 6 6.437 17.876 -6.784 1.00 0.00 C ATOM 0 H THR A 6 4.367 16.113 -3.898 1.00 0.00 H new ATOM 0 HA THR A 6 5.305 15.406 -6.381 1.00 0.00 H new ATOM 0 HB THR A 6 6.207 17.762 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.325 18.800 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.400 18.965 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.476 17.549 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.962 17.477 -7.680 1.00 0.00 H new ATOM 87 N ASP A 7 7.594 15.003 -4.134 1.00 0.00 N ATOM 88 CA ASP A 7 8.926 14.457 -3.870 1.00 0.00 C ATOM 89 C ASP A 7 9.226 13.254 -4.764 1.00 0.00 C ATOM 90 O ASP A 7 10.387 12.919 -4.985 1.00 0.00 O ATOM 91 CB ASP A 7 9.042 14.017 -2.410 1.00 0.00 C ATOM 92 CG ASP A 7 8.668 15.108 -1.434 1.00 0.00 C ATOM 93 OD1 ASP A 7 7.464 15.258 -1.145 1.00 0.00 O ATOM 94 OD2 ASP A 7 9.574 15.815 -0.948 1.00 0.00 O ATOM 0 H ASP A 7 7.017 15.104 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 7 9.645 15.248 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.399 13.153 -2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.065 13.696 -2.213 1.00 0.00 H new ATOM 99 N ILE A 8 8.174 12.613 -5.270 1.00 0.00 N ATOM 100 CA ILE A 8 8.309 11.460 -6.156 1.00 0.00 C ATOM 101 C ILE A 8 9.186 11.784 -7.372 1.00 0.00 C ATOM 102 O ILE A 8 10.029 10.978 -7.768 1.00 0.00 O ATOM 103 CB ILE A 8 6.922 10.950 -6.624 1.00 0.00 C ATOM 104 CG1 ILE A 8 7.069 9.734 -7.543 1.00 0.00 C ATOM 105 CG2 ILE A 8 6.135 12.053 -7.322 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.746 9.105 -7.923 1.00 0.00 C ATOM 0 H ILE A 8 7.208 12.878 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 8 8.797 10.671 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 8 6.366 10.647 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.594 10.034 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.689 8.987 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.167 11.665 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.985 12.884 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.690 12.400 -8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.924 8.250 -8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.229 8.774 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.132 9.838 -8.446 1.00 0.00 H new ATOM 118 N CYS A 9 9.008 12.974 -7.936 1.00 0.00 N ATOM 119 CA CYS A 9 9.778 13.390 -9.098 1.00 0.00 C ATOM 120 C CYS A 9 11.228 13.646 -8.708 1.00 0.00 C ATOM 121 O CYS A 9 12.151 13.368 -9.469 1.00 0.00 O ATOM 122 CB CYS A 9 9.166 14.651 -9.705 1.00 0.00 C ATOM 123 SG CYS A 9 7.415 14.485 -10.118 1.00 0.00 S ATOM 0 H CYS A 9 8.336 13.667 -7.605 1.00 0.00 H new ATOM 0 HA CYS A 9 9.753 12.592 -9.840 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.288 15.477 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.719 14.914 -10.607 1.00 0.00 H new ATOM 0 HG CYS A 9 6.981 15.601 -10.624 1.00 0.00 H new ATOM 129 N GLN A 10 11.411 14.159 -7.502 1.00 0.00 N ATOM 130 CA GLN A 10 12.736 14.470 -6.992 1.00 0.00 C ATOM 131 C GLN A 10 13.478 13.196 -6.602 1.00 0.00 C ATOM 132 O GLN A 10 14.700 13.118 -6.715 1.00 0.00 O ATOM 133 CB GLN A 10 12.642 15.427 -5.804 1.00 0.00 C ATOM 134 CG GLN A 10 11.936 16.733 -6.138 1.00 0.00 C ATOM 135 CD GLN A 10 12.535 17.424 -7.348 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.728 17.296 -7.630 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.712 18.162 -8.075 1.00 0.00 N ATOM 0 H GLN A 10 10.652 14.370 -6.854 1.00 0.00 H new ATOM 0 HA GLN A 10 13.301 14.961 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.112 14.933 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.647 15.647 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.880 16.535 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.989 17.401 -5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.731 18.244 -7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.059 18.649 -8.901 1.00 0.00 H new ATOM 146 N ALA A 11 12.731 12.203 -6.129 1.00 0.00 N ATOM 147 CA ALA A 11 13.306 10.915 -5.754 1.00 0.00 C ATOM 148 C ALA A 11 13.909 10.210 -6.967 1.00 0.00 C ATOM 149 O ALA A 11 14.827 9.403 -6.835 1.00 0.00 O ATOM 150 CB ALA A 11 12.251 10.040 -5.096 1.00 0.00 C ATOM 0 H ALA A 11 11.722 12.266 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 11 14.108 11.094 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.693 9.082 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.873 10.536 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.430 9.874 -5.793 1.00 0.00 H new ATOM 156 N ALA A 12 13.397 10.529 -8.152 1.00 0.00 N ATOM 157 CA ALA A 12 13.933 9.981 -9.393 1.00 0.00 C ATOM 158 C ALA A 12 15.324 10.544 -9.676 1.00 0.00 C ATOM 159 O ALA A 12 16.096 9.976 -10.446 1.00 0.00 O ATOM 160 CB ALA A 12 12.993 10.279 -10.551 1.00 0.00 C ATOM 0 H ALA A 12 12.610 11.165 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 12 14.019 8.900 -9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.406 9.864 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.020 9.829 -10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.879 11.358 -10.659 1.00 0.00 H new ATOM 166 N ASP A 13 15.643 11.659 -9.032 1.00 0.00 N ATOM 167 CA ASP A 13 16.944 12.295 -9.200 1.00 0.00 C ATOM 168 C ASP A 13 17.961 11.664 -8.252 1.00 0.00 C ATOM 169 O ASP A 13 19.150 11.976 -8.286 1.00 0.00 O ATOM 170 CB ASP A 13 16.836 13.801 -8.941 1.00 0.00 C ATOM 171 CG ASP A 13 18.050 14.568 -9.425 1.00 0.00 C ATOM 172 OD1 ASP A 13 18.148 14.816 -10.644 1.00 0.00 O ATOM 173 OD2 ASP A 13 18.901 14.944 -8.591 1.00 0.00 O ATOM 0 H ASP A 13 15.018 12.143 -8.387 1.00 0.00 H new ATOM 0 HA ASP A 13 17.280 12.144 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.946 14.188 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.705 13.973 -7.873 1.00 0.00 H new ATOM 178 N ALA A 14 17.477 10.764 -7.403 1.00 0.00 N ATOM 179 CA ALA A 14 18.334 10.061 -6.457 1.00 0.00 C ATOM 180 C ALA A 14 18.829 8.749 -7.054 1.00 0.00 C ATOM 181 O ALA A 14 19.606 8.024 -6.434 1.00 0.00 O ATOM 182 CB ALA A 14 17.593 9.808 -5.152 1.00 0.00 C ATOM 0 H ALA A 14 16.492 10.504 -7.351 1.00 0.00 H new ATOM 0 HA ALA A 14 19.199 10.689 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.248 9.282 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.290 10.760 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.709 9.201 -5.347 1.00 0.00 H new ATOM 188 N LEU A 15 18.365 8.451 -8.263 1.00 0.00 N ATOM 189 CA LEU A 15 18.804 7.261 -8.977 1.00 0.00 C ATOM 190 C LEU A 15 20.267 7.413 -9.377 1.00 0.00 C ATOM 191 O LEU A 15 20.701 8.499 -9.763 1.00 0.00 O ATOM 192 CB LEU A 15 17.942 7.032 -10.223 1.00 0.00 C ATOM 193 CG LEU A 15 16.439 6.877 -9.967 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.692 6.689 -11.277 1.00 0.00 C ATOM 195 CD2 LEU A 15 16.169 5.710 -9.033 1.00 0.00 C ATOM 0 H LEU A 15 17.684 9.019 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 15 18.697 6.398 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.092 7.868 -10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.300 6.137 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 15 16.080 7.789 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.626 6.581 -11.076 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.854 7.557 -11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.059 5.794 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.096 5.619 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.546 4.791 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.672 5.882 -8.081 1.00 0.00 H new ATOM 207 N LYS A 16 21.022 6.333 -9.282 1.00 0.00 N ATOM 208 CA LYS A 16 22.447 6.381 -9.572 1.00 0.00 C ATOM 209 C LYS A 16 22.815 5.338 -10.615 1.00 0.00 C ATOM 210 O LYS A 16 22.235 4.255 -10.647 1.00 0.00 O ATOM 211 CB LYS A 16 23.252 6.155 -8.290 1.00 0.00 C ATOM 212 CG LYS A 16 23.008 4.796 -7.649 1.00 0.00 C ATOM 213 CD LYS A 16 23.680 4.686 -6.293 1.00 0.00 C ATOM 214 CE LYS A 16 23.052 5.633 -5.287 1.00 0.00 C ATOM 215 NZ LYS A 16 23.671 5.505 -3.943 1.00 0.00 N ATOM 0 H LYS A 16 20.675 5.414 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 16 22.687 7.367 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.314 6.256 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.003 6.936 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.936 4.633 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.383 4.011 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.603 3.662 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.742 4.910 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.158 6.659 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.984 5.430 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.214 6.169 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.548 4.533 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.686 5.724 -4.006 1.00 0.00 H new ATOM 229 N GLY A 17 23.770 5.671 -11.466 1.00 0.00 N ATOM 230 CA GLY A 17 24.207 4.746 -12.487 1.00 0.00 C ATOM 231 C GLY A 17 23.809 5.190 -13.878 1.00 0.00 C ATOM 232 O GLY A 17 22.908 6.020 -14.051 1.00 0.00 O ATOM 0 H GLY A 17 24.252 6.570 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 17 25.291 4.641 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.782 3.762 -12.287 1.00 0.00 H new ATOM 236 N PHE A 18 24.477 4.637 -14.874 1.00 0.00 N ATOM 237 CA PHE A 18 24.179 4.947 -16.260 1.00 0.00 C ATOM 238 C PHE A 18 23.578 3.726 -16.936 1.00 0.00 C ATOM 239 O PHE A 18 23.762 2.606 -16.472 1.00 0.00 O ATOM 240 CB PHE A 18 25.448 5.376 -17.000 1.00 0.00 C ATOM 241 CG PHE A 18 26.119 6.584 -16.413 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.701 7.859 -16.756 1.00 0.00 C ATOM 243 CD2 PHE A 18 27.169 6.444 -15.521 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.316 8.973 -16.219 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.789 7.552 -14.981 1.00 0.00 C ATOM 246 CZ PHE A 18 27.363 8.819 -15.330 1.00 0.00 C ATOM 0 H PHE A 18 25.235 3.966 -14.747 1.00 0.00 H new ATOM 0 HA PHE A 18 23.465 5.770 -16.290 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.154 4.546 -17.001 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.197 5.582 -18.041 1.00 0.00 H new ATOM 0 HD1 PHE A 18 24.884 7.984 -17.452 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.507 5.456 -15.245 1.00 0.00 H new ATOM 0 HE1 PHE A 18 25.980 9.962 -16.493 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.607 7.429 -14.286 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.847 9.688 -14.909 1.00 0.00 H new ATOM 256 N VAL A 19 22.841 3.939 -18.008 1.00 0.00 N ATOM 257 CA VAL A 19 22.284 2.836 -18.773 1.00 0.00 C ATOM 258 C VAL A 19 22.796 2.901 -20.208 1.00 0.00 C ATOM 259 O VAL A 19 22.827 3.974 -20.812 1.00 0.00 O ATOM 260 CB VAL A 19 20.739 2.858 -18.773 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.183 1.525 -19.245 1.00 0.00 C ATOM 262 CG2 VAL A 19 20.199 3.204 -17.393 1.00 0.00 C ATOM 0 H VAL A 19 22.613 4.865 -18.371 1.00 0.00 H new ATOM 0 HA VAL A 19 22.604 1.907 -18.301 1.00 0.00 H new ATOM 0 HB VAL A 19 20.414 3.632 -19.468 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.094 1.562 -19.237 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.532 1.323 -20.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.524 0.732 -18.579 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.109 3.213 -17.420 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.538 2.460 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.562 4.188 -17.096 1.00 0.00 H new ATOM 272 N GLY A 20 23.221 1.764 -20.738 1.00 0.00 N ATOM 273 CA GLY A 20 23.759 1.725 -22.082 1.00 0.00 C ATOM 274 C GLY A 20 23.471 0.407 -22.769 1.00 0.00 C ATOM 275 O GLY A 20 23.315 -0.621 -22.110 1.00 0.00 O ATOM 0 H GLY A 20 23.203 0.864 -20.259 1.00 0.00 H new ATOM 0 HA2 GLY A 20 23.333 2.540 -22.667 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.836 1.888 -22.046 1.00 0.00 H new ATOM 279 N PHE A 21 23.392 0.429 -24.089 1.00 0.00 N ATOM 280 CA PHE A 21 23.090 -0.777 -24.844 1.00 0.00 C ATOM 281 C PHE A 21 24.364 -1.566 -25.122 1.00 0.00 C ATOM 282 O PHE A 21 25.300 -1.063 -25.748 1.00 0.00 O ATOM 283 CB PHE A 21 22.386 -0.430 -26.160 1.00 0.00 C ATOM 284 CG PHE A 21 21.866 -1.635 -26.896 1.00 0.00 C ATOM 285 CD1 PHE A 21 20.599 -2.126 -26.632 1.00 0.00 C ATOM 286 CD2 PHE A 21 22.645 -2.277 -27.846 1.00 0.00 C ATOM 287 CE1 PHE A 21 20.117 -3.235 -27.300 1.00 0.00 C ATOM 288 CE2 PHE A 21 22.167 -3.387 -28.517 1.00 0.00 C ATOM 289 CZ PHE A 21 20.902 -3.867 -28.243 1.00 0.00 C ATOM 0 H PHE A 21 23.532 1.264 -24.658 1.00 0.00 H new ATOM 0 HA PHE A 21 22.420 -1.394 -24.245 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.556 0.246 -25.952 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.081 0.108 -26.804 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.980 -1.636 -25.895 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.636 -1.906 -28.064 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.126 -3.607 -27.084 1.00 0.00 H new ATOM 0 HE2 PHE A 21 22.783 -3.879 -29.255 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.528 -4.735 -28.765 1.00 0.00 H new ATOM 299 N ASN A 22 24.398 -2.800 -24.647 1.00 0.00 N ATOM 300 CA ASN A 22 25.536 -3.672 -24.883 1.00 0.00 C ATOM 301 C ASN A 22 25.145 -4.782 -25.849 1.00 0.00 C ATOM 302 O ASN A 22 24.143 -5.465 -25.648 1.00 0.00 O ATOM 303 CB ASN A 22 26.049 -4.261 -23.567 1.00 0.00 C ATOM 304 CG ASN A 22 27.225 -5.193 -23.776 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.053 -6.398 -23.937 1.00 0.00 O ATOM 306 ND2 ASN A 22 28.428 -4.641 -23.785 1.00 0.00 N ATOM 0 H ASN A 22 23.650 -3.220 -24.095 1.00 0.00 H new ATOM 0 HA ASN A 22 26.341 -3.085 -25.326 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.344 -3.451 -22.899 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.242 -4.803 -23.074 1.00 0.00 H new ATOM 0 HD21 ASN A 22 29.254 -5.221 -23.929 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.529 -3.635 -23.648 1.00 0.00 H new ATOM 313 N ARG A 23 25.935 -4.953 -26.899 1.00 0.00 N ATOM 314 CA ARG A 23 25.611 -5.897 -27.965 1.00 0.00 C ATOM 315 C ARG A 23 25.728 -7.349 -27.502 1.00 0.00 C ATOM 316 O ARG A 23 25.092 -8.238 -28.064 1.00 0.00 O ATOM 317 CB ARG A 23 26.525 -5.661 -29.169 1.00 0.00 C ATOM 318 CG ARG A 23 27.982 -6.012 -28.915 1.00 0.00 C ATOM 319 CD ARG A 23 28.866 -5.575 -30.066 1.00 0.00 C ATOM 320 NE ARG A 23 28.879 -4.123 -30.213 1.00 0.00 N ATOM 321 CZ ARG A 23 29.988 -3.391 -30.237 1.00 0.00 C ATOM 322 NH1 ARG A 23 31.175 -3.973 -30.187 1.00 0.00 N ATOM 323 NH2 ARG A 23 29.913 -2.073 -30.330 1.00 0.00 N ATOM 0 H ARG A 23 26.810 -4.448 -27.038 1.00 0.00 H new ATOM 0 HA ARG A 23 24.573 -5.724 -28.250 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.161 -6.251 -30.010 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.460 -4.613 -29.462 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.318 -5.534 -27.995 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.078 -7.088 -28.769 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.882 -5.934 -29.901 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.513 -6.032 -30.991 1.00 0.00 H new ATOM 0 HE ARG A 23 27.984 -3.642 -30.303 1.00 0.00 H new ATOM 0 HH11 ARG A 23 31.243 -4.989 -30.130 1.00 0.00 H new ATOM 0 HH12 ARG A 23 32.022 -3.406 -30.206 1.00 0.00 H new ATOM 0 HH21 ARG A 23 29.002 -1.617 -30.383 1.00 0.00 H new ATOM 0 HH22 ARG A 23 30.766 -1.514 -30.348 1.00 0.00 H new ATOM 337 N LYS A 24 26.531 -7.590 -26.475 1.00 0.00 N ATOM 338 CA LYS A 24 26.753 -8.947 -25.999 1.00 0.00 C ATOM 339 C LYS A 24 25.573 -9.410 -25.155 1.00 0.00 C ATOM 340 O LYS A 24 25.157 -10.565 -25.230 1.00 0.00 O ATOM 341 CB LYS A 24 28.056 -9.032 -25.202 1.00 0.00 C ATOM 342 CG LYS A 24 28.446 -10.453 -24.829 1.00 0.00 C ATOM 343 CD LYS A 24 29.851 -10.515 -24.254 1.00 0.00 C ATOM 344 CE LYS A 24 30.887 -9.995 -25.242 1.00 0.00 C ATOM 345 NZ LYS A 24 30.822 -10.703 -26.550 1.00 0.00 N ATOM 0 H LYS A 24 27.036 -6.869 -25.959 1.00 0.00 H new ATOM 0 HA LYS A 24 26.840 -9.608 -26.862 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.860 -8.584 -25.786 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.956 -8.440 -24.292 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.737 -10.846 -24.101 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.385 -11.091 -25.711 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.895 -9.927 -23.337 1.00 0.00 H new ATOM 0 HD3 LYS A 24 30.089 -11.544 -23.985 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.732 -8.928 -25.400 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.884 -10.113 -24.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.636 -10.427 -27.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.843 -11.730 -26.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.941 -10.447 -27.040 1.00 0.00 H new ATOM 359 N THR A 25 25.028 -8.503 -24.361 1.00 0.00 N ATOM 360 CA THR A 25 23.845 -8.805 -23.577 1.00 0.00 C ATOM 361 C THR A 25 22.596 -8.667 -24.441 1.00 0.00 C ATOM 362 O THR A 25 21.573 -9.301 -24.186 1.00 0.00 O ATOM 363 CB THR A 25 23.735 -7.880 -22.350 1.00 0.00 C ATOM 364 OG1 THR A 25 23.753 -6.508 -22.766 1.00 0.00 O ATOM 365 CG2 THR A 25 24.878 -8.133 -21.378 1.00 0.00 C ATOM 0 H THR A 25 25.385 -7.555 -24.243 1.00 0.00 H new ATOM 0 HA THR A 25 23.931 -9.832 -23.222 1.00 0.00 H new ATOM 0 HB THR A 25 22.793 -8.094 -21.845 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.879 -6.462 -23.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.779 -7.469 -20.520 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.846 -9.169 -21.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 25.828 -7.943 -21.877 1.00 0.00 H new ATOM 373 N GLY A 26 22.695 -7.829 -25.469 1.00 0.00 N ATOM 374 CA GLY A 26 21.597 -7.636 -26.394 1.00 0.00 C ATOM 375 C GLY A 26 20.490 -6.792 -25.801 1.00 0.00 C ATOM 376 O GLY A 26 19.406 -6.675 -26.378 1.00 0.00 O ATOM 0 H GLY A 26 23.526 -7.276 -25.677 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.968 -7.159 -27.301 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.195 -8.606 -26.685 1.00 0.00 H new ATOM 380 N ARG A 27 20.759 -6.198 -24.646 1.00 0.00 N ATOM 381 CA ARG A 27 19.754 -5.417 -23.941 1.00 0.00 C ATOM 382 C ARG A 27 20.304 -4.050 -23.557 1.00 0.00 C ATOM 383 O ARG A 27 21.520 -3.842 -23.517 1.00 0.00 O ATOM 384 CB ARG A 27 19.285 -6.141 -22.668 1.00 0.00 C ATOM 385 CG ARG A 27 18.730 -7.544 -22.892 1.00 0.00 C ATOM 386 CD ARG A 27 17.612 -7.564 -23.923 1.00 0.00 C ATOM 387 NE ARG A 27 16.546 -6.613 -23.615 1.00 0.00 N ATOM 388 CZ ARG A 27 16.101 -5.701 -24.476 1.00 0.00 C ATOM 389 NH1 ARG A 27 16.655 -5.597 -25.680 1.00 0.00 N ATOM 390 NH2 ARG A 27 15.110 -4.888 -24.132 1.00 0.00 N ATOM 0 H ARG A 27 21.664 -6.243 -24.178 1.00 0.00 H new ATOM 0 HA ARG A 27 18.907 -5.292 -24.616 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.123 -6.205 -21.974 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.518 -5.536 -22.186 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.535 -8.203 -23.219 1.00 0.00 H new ATOM 0 HG3 ARG A 27 18.357 -7.940 -21.947 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.025 -7.336 -24.906 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.193 -8.569 -23.979 1.00 0.00 H new ATOM 0 HE ARG A 27 16.120 -6.650 -22.689 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.421 -6.216 -25.944 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.314 -4.898 -26.340 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.688 -4.962 -23.206 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.770 -4.190 -24.793 1.00 0.00 H new ATOM 404 N TYR A 28 19.397 -3.121 -23.293 1.00 0.00 N ATOM 405 CA TYR A 28 19.755 -1.828 -22.735 1.00 0.00 C ATOM 406 C TYR A 28 19.982 -2.013 -21.238 1.00 0.00 C ATOM 407 O TYR A 28 19.027 -2.125 -20.469 1.00 0.00 O ATOM 408 CB TYR A 28 18.624 -0.825 -23.009 1.00 0.00 C ATOM 409 CG TYR A 28 18.986 0.629 -22.794 1.00 0.00 C ATOM 410 CD1 TYR A 28 20.159 1.160 -23.311 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.137 1.478 -22.092 1.00 0.00 C ATOM 412 CE1 TYR A 28 20.481 2.492 -23.134 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.452 2.812 -21.909 1.00 0.00 C ATOM 414 CZ TYR A 28 19.625 3.314 -22.431 1.00 0.00 C ATOM 415 OH TYR A 28 19.945 4.641 -22.248 1.00 0.00 O ATOM 0 H TYR A 28 18.398 -3.242 -23.459 1.00 0.00 H new ATOM 0 HA TYR A 28 20.664 -1.437 -23.192 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.290 -0.951 -24.039 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.778 -1.071 -22.367 1.00 0.00 H new ATOM 0 HD1 TYR A 28 20.833 0.520 -23.862 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.216 1.089 -21.683 1.00 0.00 H new ATOM 0 HE1 TYR A 28 21.398 2.888 -23.544 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.782 3.457 -21.360 1.00 0.00 H new ATOM 0 HH TYR A 28 20.810 4.709 -21.793 1.00 0.00 H new ATOM 425 N ILE A 29 21.243 -2.077 -20.831 1.00 0.00 N ATOM 426 CA ILE A 29 21.580 -2.515 -19.483 1.00 0.00 C ATOM 427 C ILE A 29 22.257 -1.416 -18.676 1.00 0.00 C ATOM 428 O ILE A 29 22.802 -0.463 -19.232 1.00 0.00 O ATOM 429 CB ILE A 29 22.474 -3.784 -19.508 1.00 0.00 C ATOM 430 CG1 ILE A 29 23.672 -3.624 -20.462 1.00 0.00 C ATOM 431 CG2 ILE A 29 21.652 -5.001 -19.903 1.00 0.00 C ATOM 432 CD1 ILE A 29 24.846 -2.866 -19.874 1.00 0.00 C ATOM 0 H ILE A 29 22.045 -1.833 -21.411 1.00 0.00 H new ATOM 0 HA ILE A 29 20.638 -2.760 -18.992 1.00 0.00 H new ATOM 0 HB ILE A 29 22.868 -3.925 -18.502 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.011 -4.614 -20.768 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.337 -3.109 -21.362 1.00 0.00 H new ATOM 0 HG21 ILE A 29 22.292 -5.883 -19.916 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.848 -5.147 -19.182 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.226 -4.846 -20.894 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.644 -2.801 -20.614 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.527 -1.862 -19.594 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.212 -3.390 -18.991 1.00 0.00 H new ATOM 444 N VAL A 30 22.211 -1.556 -17.362 1.00 0.00 N ATOM 445 CA VAL A 30 22.802 -0.571 -16.474 1.00 0.00 C ATOM 446 C VAL A 30 24.297 -0.817 -16.305 1.00 0.00 C ATOM 447 O VAL A 30 24.769 -1.955 -16.363 1.00 0.00 O ATOM 448 CB VAL A 30 22.116 -0.562 -15.089 1.00 0.00 C ATOM 449 CG1 VAL A 30 20.644 -0.207 -15.228 1.00 0.00 C ATOM 450 CG2 VAL A 30 22.282 -1.903 -14.387 1.00 0.00 C ATOM 0 H VAL A 30 21.770 -2.343 -16.887 1.00 0.00 H new ATOM 0 HA VAL A 30 22.650 0.404 -16.936 1.00 0.00 H new ATOM 0 HB VAL A 30 22.600 0.199 -14.476 1.00 0.00 H new ATOM 0 HG11 VAL A 30 20.176 -0.205 -14.244 1.00 0.00 H new ATOM 0 HG12 VAL A 30 20.549 0.782 -15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 30 20.151 -0.943 -15.863 1.00 0.00 H new ATOM 0 HG21 VAL A 30 21.790 -1.868 -13.415 1.00 0.00 H new ATOM 0 HG22 VAL A 30 21.833 -2.689 -14.994 1.00 0.00 H new ATOM 0 HG23 VAL A 30 23.343 -2.113 -14.249 1.00 0.00 H new ATOM 460 N ARG A 31 25.035 0.258 -16.106 1.00 0.00 N ATOM 461 CA ARG A 31 26.471 0.186 -15.938 1.00 0.00 C ATOM 462 C ARG A 31 26.914 1.282 -14.980 1.00 0.00 C ATOM 463 O ARG A 31 26.505 2.434 -15.116 1.00 0.00 O ATOM 464 CB ARG A 31 27.164 0.358 -17.291 1.00 0.00 C ATOM 465 CG ARG A 31 28.454 -0.432 -17.431 1.00 0.00 C ATOM 466 CD ARG A 31 28.188 -1.931 -17.426 1.00 0.00 C ATOM 467 NE ARG A 31 29.378 -2.705 -17.786 1.00 0.00 N ATOM 468 CZ ARG A 31 29.377 -4.019 -18.017 1.00 0.00 C ATOM 469 NH1 ARG A 31 28.251 -4.716 -17.921 1.00 0.00 N ATOM 470 NH2 ARG A 31 30.504 -4.637 -18.346 1.00 0.00 N ATOM 0 H ARG A 31 24.656 1.204 -16.057 1.00 0.00 H new ATOM 0 HA ARG A 31 26.744 -0.787 -15.529 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.477 0.054 -18.081 1.00 0.00 H new ATOM 0 HB3 ARG A 31 27.379 1.415 -17.445 1.00 0.00 H new ATOM 0 HG2 ARG A 31 28.955 -0.153 -18.358 1.00 0.00 H new ATOM 0 HG3 ARG A 31 29.129 -0.178 -16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.845 -2.234 -16.437 1.00 0.00 H new ATOM 0 HD3 ARG A 31 27.384 -2.158 -18.126 1.00 0.00 H new ATOM 0 HE ARG A 31 30.265 -2.207 -17.865 1.00 0.00 H new ATOM 0 HH11 ARG A 31 27.381 -4.247 -17.670 1.00 0.00 H new ATOM 0 HH12 ARG A 31 28.256 -5.720 -18.099 1.00 0.00 H new ATOM 0 HH21 ARG A 31 31.372 -4.107 -18.423 1.00 0.00 H new ATOM 0 HH22 ARG A 31 30.502 -5.642 -18.522 1.00 0.00 H new ATOM 484 N PHE A 32 27.742 0.928 -14.015 1.00 0.00 N ATOM 485 CA PHE A 32 28.191 1.883 -13.012 1.00 0.00 C ATOM 486 C PHE A 32 29.615 2.332 -13.309 1.00 0.00 C ATOM 487 O PHE A 32 30.293 2.902 -12.456 1.00 0.00 O ATOM 488 CB PHE A 32 28.105 1.265 -11.614 1.00 0.00 C ATOM 489 CG PHE A 32 26.700 0.946 -11.183 1.00 0.00 C ATOM 490 CD1 PHE A 32 25.934 1.893 -10.521 1.00 0.00 C ATOM 491 CD2 PHE A 32 26.145 -0.296 -11.442 1.00 0.00 C ATOM 492 CE1 PHE A 32 24.642 1.606 -10.125 1.00 0.00 C ATOM 493 CE2 PHE A 32 24.853 -0.589 -11.049 1.00 0.00 C ATOM 494 CZ PHE A 32 24.101 0.364 -10.390 1.00 0.00 C ATOM 0 H PHE A 32 28.119 -0.013 -13.902 1.00 0.00 H new ATOM 0 HA PHE A 32 27.539 2.756 -13.045 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.699 0.351 -11.592 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.550 1.952 -10.894 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.352 2.867 -10.312 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.729 -1.044 -11.957 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.056 2.352 -9.609 1.00 0.00 H new ATOM 0 HE2 PHE A 32 24.432 -1.562 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.091 0.138 -10.082 1.00 0.00 H new ATOM 504 N SER A 33 30.055 2.072 -14.530 1.00 0.00 N ATOM 505 CA SER A 33 31.396 2.426 -14.955 1.00 0.00 C ATOM 506 C SER A 33 31.354 3.089 -16.328 1.00 0.00 C ATOM 507 O SER A 33 30.964 2.464 -17.313 1.00 0.00 O ATOM 508 CB SER A 33 32.270 1.170 -15.003 1.00 0.00 C ATOM 509 OG SER A 33 32.152 0.424 -13.801 1.00 0.00 O ATOM 0 H SER A 33 29.495 1.613 -15.249 1.00 0.00 H new ATOM 0 HA SER A 33 31.822 3.130 -14.241 1.00 0.00 H new ATOM 0 HB2 SER A 33 31.977 0.550 -15.850 1.00 0.00 H new ATOM 0 HB3 SER A 33 33.311 1.452 -15.160 1.00 0.00 H new ATOM 0 HG SER A 33 32.718 -0.375 -13.855 1.00 0.00 H new ATOM 515 N GLU A 34 31.736 4.355 -16.382 1.00 0.00 N ATOM 516 CA GLU A 34 31.761 5.103 -17.635 1.00 0.00 C ATOM 517 C GLU A 34 32.819 4.524 -18.569 1.00 0.00 C ATOM 518 O GLU A 34 32.614 4.416 -19.777 1.00 0.00 O ATOM 519 CB GLU A 34 32.063 6.589 -17.390 1.00 0.00 C ATOM 520 CG GLU A 34 31.303 7.212 -16.225 1.00 0.00 C ATOM 521 CD GLU A 34 31.911 6.861 -14.882 1.00 0.00 C ATOM 522 OE1 GLU A 34 32.958 7.438 -14.529 1.00 0.00 O ATOM 523 OE2 GLU A 34 31.367 5.982 -14.187 1.00 0.00 O ATOM 0 H GLU A 34 32.036 4.892 -15.568 1.00 0.00 H new ATOM 0 HA GLU A 34 30.776 5.018 -18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.132 6.703 -17.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.830 7.147 -18.297 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.289 8.296 -16.342 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.266 6.876 -16.250 1.00 0.00 H new ATOM 530 N ASP A 35 33.945 4.126 -17.983 1.00 0.00 N ATOM 531 CA ASP A 35 35.078 3.592 -18.738 1.00 0.00 C ATOM 532 C ASP A 35 34.773 2.194 -19.284 1.00 0.00 C ATOM 533 O ASP A 35 35.591 1.588 -19.977 1.00 0.00 O ATOM 534 CB ASP A 35 36.320 3.555 -17.841 1.00 0.00 C ATOM 535 CG ASP A 35 37.587 3.202 -18.595 1.00 0.00 C ATOM 536 OD1 ASP A 35 38.105 4.068 -19.331 1.00 0.00 O ATOM 537 OD2 ASP A 35 38.076 2.058 -18.446 1.00 0.00 O ATOM 0 H ASP A 35 34.099 4.164 -16.975 1.00 0.00 H new ATOM 0 HA ASP A 35 35.265 4.246 -19.590 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.446 4.527 -17.365 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.164 2.828 -17.044 1.00 0.00 H new ATOM 542 N SER A 36 33.583 1.694 -18.980 1.00 0.00 N ATOM 543 CA SER A 36 33.158 0.384 -19.448 1.00 0.00 C ATOM 544 C SER A 36 32.899 0.417 -20.955 1.00 0.00 C ATOM 545 O SER A 36 32.967 -0.611 -21.632 1.00 0.00 O ATOM 546 CB SER A 36 31.896 -0.049 -18.696 1.00 0.00 C ATOM 547 OG SER A 36 31.536 -1.385 -18.994 1.00 0.00 O ATOM 0 H SER A 36 32.892 2.180 -18.408 1.00 0.00 H new ATOM 0 HA SER A 36 33.950 -0.339 -19.253 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.060 0.052 -17.623 1.00 0.00 H new ATOM 0 HB3 SER A 36 31.072 0.616 -18.956 1.00 0.00 H new ATOM 0 HG SER A 36 30.714 -1.391 -19.528 1.00 0.00 H new ATOM 553 N PHE A 37 32.611 1.607 -21.474 1.00 0.00 N ATOM 554 CA PHE A 37 32.339 1.778 -22.894 1.00 0.00 C ATOM 555 C PHE A 37 33.094 2.985 -23.445 1.00 0.00 C ATOM 556 O PHE A 37 32.679 4.129 -23.255 1.00 0.00 O ATOM 557 CB PHE A 37 30.837 1.949 -23.143 1.00 0.00 C ATOM 558 CG PHE A 37 30.004 0.782 -22.692 1.00 0.00 C ATOM 559 CD1 PHE A 37 29.995 -0.400 -23.415 1.00 0.00 C ATOM 560 CD2 PHE A 37 29.231 0.868 -21.545 1.00 0.00 C ATOM 561 CE1 PHE A 37 29.231 -1.474 -23.002 1.00 0.00 C ATOM 562 CE2 PHE A 37 28.465 -0.204 -21.127 1.00 0.00 C ATOM 563 CZ PHE A 37 28.465 -1.376 -21.857 1.00 0.00 C ATOM 0 H PHE A 37 32.560 2.468 -20.929 1.00 0.00 H new ATOM 0 HA PHE A 37 32.681 0.881 -23.410 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.494 2.847 -22.629 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.672 2.109 -24.208 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.592 -0.482 -24.311 1.00 0.00 H new ATOM 0 HD2 PHE A 37 29.227 1.783 -20.971 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.233 -2.390 -23.574 1.00 0.00 H new ATOM 0 HE2 PHE A 37 27.867 -0.125 -20.231 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.867 -2.215 -21.533 1.00 0.00 H new ATOM 573 N GLY A 38 34.210 2.725 -24.108 1.00 0.00 N ATOM 574 CA GLY A 38 34.990 3.793 -24.697 1.00 0.00 C ATOM 575 C GLY A 38 34.812 3.862 -26.199 1.00 0.00 C ATOM 576 O GLY A 38 33.729 4.188 -26.690 1.00 0.00 O ATOM 0 H GLY A 38 34.591 1.789 -24.249 1.00 0.00 H new ATOM 0 HA2 GLY A 38 34.696 4.744 -24.253 1.00 0.00 H new ATOM 0 HA3 GLY A 38 36.044 3.644 -24.463 1.00 0.00 H new ATOM 580 N MET A 39 35.866 3.535 -26.933 1.00 0.00 N ATOM 581 CA MET A 39 35.816 3.541 -28.390 1.00 0.00 C ATOM 582 C MET A 39 35.163 2.264 -28.901 1.00 0.00 C ATOM 583 O MET A 39 35.840 1.357 -29.394 1.00 0.00 O ATOM 584 CB MET A 39 37.219 3.695 -28.985 1.00 0.00 C ATOM 585 CG MET A 39 37.879 5.023 -28.653 1.00 0.00 C ATOM 586 SD MET A 39 39.527 5.182 -29.369 1.00 0.00 S ATOM 587 CE MET A 39 40.374 3.811 -28.584 1.00 0.00 C ATOM 0 H MET A 39 36.768 3.262 -26.544 1.00 0.00 H new ATOM 0 HA MET A 39 35.216 4.394 -28.707 1.00 0.00 H new ATOM 0 HB2 MET A 39 37.850 2.884 -28.621 1.00 0.00 H new ATOM 0 HB3 MET A 39 37.159 3.590 -30.068 1.00 0.00 H new ATOM 0 HG2 MET A 39 37.250 5.837 -29.015 1.00 0.00 H new ATOM 0 HG3 MET A 39 37.946 5.130 -27.570 1.00 0.00 H new ATOM 0 HE1 MET A 39 41.450 3.982 -28.616 1.00 0.00 H new ATOM 0 HE2 MET A 39 40.050 3.730 -27.546 1.00 0.00 H new ATOM 0 HE3 MET A 39 40.137 2.887 -29.111 1.00 0.00 H new ATOM 597 N ASP A 40 33.846 2.199 -28.763 1.00 0.00 N ATOM 598 CA ASP A 40 33.078 1.014 -29.131 1.00 0.00 C ATOM 599 C ASP A 40 31.589 1.318 -29.035 1.00 0.00 C ATOM 600 O ASP A 40 30.801 0.922 -29.896 1.00 0.00 O ATOM 601 CB ASP A 40 33.439 -0.158 -28.212 1.00 0.00 C ATOM 602 CG ASP A 40 32.718 -1.441 -28.574 1.00 0.00 C ATOM 603 OD1 ASP A 40 32.743 -1.830 -29.761 1.00 0.00 O ATOM 604 OD2 ASP A 40 32.153 -2.087 -27.667 1.00 0.00 O ATOM 0 H ASP A 40 33.280 2.963 -28.394 1.00 0.00 H new ATOM 0 HA ASP A 40 33.320 0.737 -30.157 1.00 0.00 H new ATOM 0 HB2 ASP A 40 34.515 -0.328 -28.255 1.00 0.00 H new ATOM 0 HB3 ASP A 40 33.200 0.108 -27.182 1.00 0.00 H new ATOM 609 N VAL A 41 31.215 2.033 -27.981 1.00 0.00 N ATOM 610 CA VAL A 41 29.836 2.456 -27.778 1.00 0.00 C ATOM 611 C VAL A 41 29.796 3.956 -27.512 1.00 0.00 C ATOM 612 O VAL A 41 30.627 4.484 -26.770 1.00 0.00 O ATOM 613 CB VAL A 41 29.175 1.702 -26.600 1.00 0.00 C ATOM 614 CG1 VAL A 41 27.731 2.147 -26.405 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.240 0.198 -26.821 1.00 0.00 C ATOM 0 H VAL A 41 31.856 2.334 -27.247 1.00 0.00 H new ATOM 0 HA VAL A 41 29.276 2.221 -28.683 1.00 0.00 H new ATOM 0 HB VAL A 41 29.731 1.945 -25.694 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.291 1.601 -25.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.705 3.216 -26.193 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.162 1.943 -27.312 1.00 0.00 H new ATOM 0 HG21 VAL A 41 28.770 -0.314 -25.981 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.715 -0.057 -27.742 1.00 0.00 H new ATOM 0 HG23 VAL A 41 30.282 -0.114 -26.899 1.00 0.00 H new ATOM 625 N ALA A 42 28.845 4.637 -28.136 1.00 0.00 N ATOM 626 CA ALA A 42 28.724 6.080 -28.006 1.00 0.00 C ATOM 627 C ALA A 42 28.273 6.481 -26.606 1.00 0.00 C ATOM 628 O ALA A 42 27.314 5.927 -26.063 1.00 0.00 O ATOM 629 CB ALA A 42 27.757 6.622 -29.046 1.00 0.00 C ATOM 0 H ALA A 42 28.143 4.209 -28.740 1.00 0.00 H new ATOM 0 HA ALA A 42 29.710 6.513 -28.174 1.00 0.00 H new ATOM 0 HB1 ALA A 42 27.675 7.704 -28.938 1.00 0.00 H new ATOM 0 HB2 ALA A 42 28.125 6.384 -30.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.777 6.168 -28.903 1.00 0.00 H new ATOM 635 N ASP A 43 28.965 7.459 -26.039 1.00 0.00 N ATOM 636 CA ASP A 43 28.621 8.004 -24.729 1.00 0.00 C ATOM 637 C ASP A 43 27.290 8.748 -24.802 1.00 0.00 C ATOM 638 O ASP A 43 26.626 8.961 -23.789 1.00 0.00 O ATOM 639 CB ASP A 43 29.736 8.936 -24.237 1.00 0.00 C ATOM 640 CG ASP A 43 29.428 9.592 -22.901 1.00 0.00 C ATOM 641 OD1 ASP A 43 29.353 8.877 -21.880 1.00 0.00 O ATOM 642 OD2 ASP A 43 29.263 10.832 -22.869 1.00 0.00 O ATOM 0 H ASP A 43 29.779 7.897 -26.471 1.00 0.00 H new ATOM 0 HA ASP A 43 28.518 7.183 -24.019 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.662 8.368 -24.150 1.00 0.00 H new ATOM 0 HB3 ASP A 43 29.907 9.712 -24.983 1.00 0.00 H new ATOM 647 N ASP A 44 26.900 9.129 -26.016 1.00 0.00 N ATOM 648 CA ASP A 44 25.600 9.760 -26.245 1.00 0.00 C ATOM 649 C ASP A 44 24.470 8.761 -26.017 1.00 0.00 C ATOM 650 O ASP A 44 23.347 9.144 -25.695 1.00 0.00 O ATOM 651 CB ASP A 44 25.493 10.322 -27.669 1.00 0.00 C ATOM 652 CG ASP A 44 26.340 11.560 -27.892 1.00 0.00 C ATOM 653 OD1 ASP A 44 25.959 12.646 -27.406 1.00 0.00 O ATOM 654 OD2 ASP A 44 27.383 11.456 -28.572 1.00 0.00 O ATOM 0 H ASP A 44 27.465 9.012 -26.857 1.00 0.00 H new ATOM 0 HA ASP A 44 25.511 10.582 -25.535 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.794 9.552 -28.379 1.00 0.00 H new ATOM 0 HB3 ASP A 44 24.451 10.561 -27.880 1.00 0.00 H new ATOM 659 N SER A 45 24.773 7.479 -26.191 1.00 0.00 N ATOM 660 CA SER A 45 23.790 6.426 -25.969 1.00 0.00 C ATOM 661 C SER A 45 23.675 6.136 -24.476 1.00 0.00 C ATOM 662 O SER A 45 22.585 5.880 -23.961 1.00 0.00 O ATOM 663 CB SER A 45 24.184 5.157 -26.738 1.00 0.00 C ATOM 664 OG SER A 45 23.209 4.133 -26.600 1.00 0.00 O ATOM 0 H SER A 45 25.691 7.145 -26.485 1.00 0.00 H new ATOM 0 HA SER A 45 22.820 6.760 -26.338 1.00 0.00 H new ATOM 0 HB2 SER A 45 24.313 5.397 -27.794 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.146 4.795 -26.374 1.00 0.00 H new ATOM 0 HG SER A 45 23.492 3.341 -27.104 1.00 0.00 H new ATOM 670 N ILE A 46 24.810 6.197 -23.786 1.00 0.00 N ATOM 671 CA ILE A 46 24.848 5.994 -22.346 1.00 0.00 C ATOM 672 C ILE A 46 24.101 7.125 -21.644 1.00 0.00 C ATOM 673 O ILE A 46 24.496 8.286 -21.728 1.00 0.00 O ATOM 674 CB ILE A 46 26.300 5.937 -21.825 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.094 4.862 -22.573 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.315 5.665 -20.327 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.554 4.799 -22.178 1.00 0.00 C ATOM 0 H ILE A 46 25.720 6.387 -24.206 1.00 0.00 H new ATOM 0 HA ILE A 46 24.367 5.040 -22.128 1.00 0.00 H new ATOM 0 HB ILE A 46 26.772 6.903 -22.006 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.635 3.890 -22.390 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.024 5.051 -23.644 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.346 5.628 -19.974 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.782 6.461 -19.807 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.828 4.711 -20.126 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.052 4.015 -22.749 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.029 5.757 -22.387 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.634 4.579 -21.113 1.00 0.00 H new ATOM 689 N THR A 47 23.014 6.789 -20.973 1.00 0.00 N ATOM 690 CA THR A 47 22.187 7.791 -20.324 1.00 0.00 C ATOM 691 C THR A 47 22.043 7.498 -18.832 1.00 0.00 C ATOM 692 O THR A 47 21.704 6.381 -18.448 1.00 0.00 O ATOM 693 CB THR A 47 20.792 7.841 -20.976 1.00 0.00 C ATOM 694 OG1 THR A 47 20.932 7.902 -22.401 1.00 0.00 O ATOM 695 CG2 THR A 47 20.002 9.048 -20.492 1.00 0.00 C ATOM 0 H THR A 47 22.683 5.830 -20.863 1.00 0.00 H new ATOM 0 HA THR A 47 22.677 8.757 -20.446 1.00 0.00 H new ATOM 0 HB THR A 47 20.249 6.940 -20.692 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.045 7.932 -22.816 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.022 9.057 -20.969 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.878 8.992 -19.410 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.539 9.961 -20.749 1.00 0.00 H new ATOM 703 N PRO A 48 22.329 8.489 -17.970 1.00 0.00 N ATOM 704 CA PRO A 48 22.135 8.356 -16.522 1.00 0.00 C ATOM 705 C PRO A 48 20.678 8.060 -16.181 1.00 0.00 C ATOM 706 O PRO A 48 19.767 8.727 -16.676 1.00 0.00 O ATOM 707 CB PRO A 48 22.553 9.723 -15.964 1.00 0.00 C ATOM 708 CG PRO A 48 22.537 10.649 -17.134 1.00 0.00 C ATOM 709 CD PRO A 48 22.869 9.808 -18.333 1.00 0.00 C ATOM 0 HA PRO A 48 22.712 7.531 -16.103 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.865 10.058 -15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.544 9.677 -15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.560 11.119 -17.246 1.00 0.00 H new ATOM 0 HG3 PRO A 48 23.264 11.451 -17.007 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.407 10.198 -19.240 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.943 9.769 -18.514 1.00 0.00 H new ATOM 717 N THR A 49 20.460 7.070 -15.325 1.00 0.00 N ATOM 718 CA THR A 49 19.111 6.607 -15.020 1.00 0.00 C ATOM 719 C THR A 49 18.282 7.682 -14.311 1.00 0.00 C ATOM 720 O THR A 49 17.055 7.621 -14.311 1.00 0.00 O ATOM 721 CB THR A 49 19.137 5.319 -14.167 1.00 0.00 C ATOM 722 OG1 THR A 49 17.801 4.854 -13.932 1.00 0.00 O ATOM 723 CG2 THR A 49 19.838 5.551 -12.837 1.00 0.00 C ATOM 0 H THR A 49 21.199 6.572 -14.829 1.00 0.00 H new ATOM 0 HA THR A 49 18.636 6.387 -15.976 1.00 0.00 H new ATOM 0 HB THR A 49 19.694 4.564 -14.722 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.725 4.529 -13.010 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.840 4.626 -12.260 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.865 5.868 -13.018 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.312 6.326 -12.279 1.00 0.00 H new ATOM 731 N SER A 50 18.948 8.670 -13.728 1.00 0.00 N ATOM 732 CA SER A 50 18.259 9.744 -13.027 1.00 0.00 C ATOM 733 C SER A 50 17.766 10.820 -13.996 1.00 0.00 C ATOM 734 O SER A 50 16.980 11.691 -13.623 1.00 0.00 O ATOM 735 CB SER A 50 19.195 10.354 -11.986 1.00 0.00 C ATOM 736 OG SER A 50 20.499 10.531 -12.519 1.00 0.00 O ATOM 0 H SER A 50 19.965 8.749 -13.727 1.00 0.00 H new ATOM 0 HA SER A 50 17.384 9.325 -12.530 1.00 0.00 H new ATOM 0 HB2 SER A 50 18.800 11.314 -11.654 1.00 0.00 H new ATOM 0 HB3 SER A 50 19.241 9.708 -11.109 1.00 0.00 H new ATOM 0 HG SER A 50 21.081 10.924 -11.836 1.00 0.00 H new ATOM 742 N GLU A 51 18.228 10.751 -15.238 1.00 0.00 N ATOM 743 CA GLU A 51 17.851 11.731 -16.248 1.00 0.00 C ATOM 744 C GLU A 51 17.053 11.063 -17.367 1.00 0.00 C ATOM 745 O GLU A 51 16.256 11.703 -18.050 1.00 0.00 O ATOM 746 CB GLU A 51 19.110 12.393 -16.811 1.00 0.00 C ATOM 747 CG GLU A 51 18.835 13.600 -17.689 1.00 0.00 C ATOM 748 CD GLU A 51 20.104 14.201 -18.254 1.00 0.00 C ATOM 749 OE1 GLU A 51 20.884 14.793 -17.479 1.00 0.00 O ATOM 750 OE2 GLU A 51 20.330 14.079 -19.474 1.00 0.00 O ATOM 0 H GLU A 51 18.864 10.026 -15.570 1.00 0.00 H new ATOM 0 HA GLU A 51 17.221 12.493 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.749 12.698 -15.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.668 11.656 -17.389 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.178 13.308 -18.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.305 14.355 -17.109 1.00 0.00 H new ATOM 757 N PHE A 52 17.261 9.759 -17.524 1.00 0.00 N ATOM 758 CA PHE A 52 16.608 8.976 -18.571 1.00 0.00 C ATOM 759 C PHE A 52 15.093 8.930 -18.370 1.00 0.00 C ATOM 760 O PHE A 52 14.338 8.642 -19.298 1.00 0.00 O ATOM 761 CB PHE A 52 17.186 7.553 -18.582 1.00 0.00 C ATOM 762 CG PHE A 52 16.606 6.659 -19.641 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.887 6.878 -20.981 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.781 5.598 -19.297 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.357 6.058 -21.957 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.248 4.776 -20.270 1.00 0.00 C ATOM 767 CZ PHE A 52 15.537 5.006 -21.602 1.00 0.00 C ATOM 0 H PHE A 52 17.886 9.215 -16.930 1.00 0.00 H new ATOM 0 HA PHE A 52 16.799 9.456 -19.531 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.265 7.613 -18.724 1.00 0.00 H new ATOM 0 HB3 PHE A 52 17.018 7.097 -17.606 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.528 7.700 -21.265 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.553 5.413 -18.258 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.584 6.239 -22.997 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.606 3.954 -19.991 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.122 4.363 -22.364 1.00 0.00 H new ATOM 777 N VAL A 53 14.652 9.235 -17.161 1.00 0.00 N ATOM 778 CA VAL A 53 13.244 9.133 -16.817 1.00 0.00 C ATOM 779 C VAL A 53 12.467 10.384 -17.238 1.00 0.00 C ATOM 780 O VAL A 53 11.237 10.413 -17.165 1.00 0.00 O ATOM 781 CB VAL A 53 13.058 8.893 -15.303 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.904 7.718 -14.842 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.397 10.140 -14.501 1.00 0.00 C ATOM 0 H VAL A 53 15.250 9.556 -16.400 1.00 0.00 H new ATOM 0 HA VAL A 53 12.846 8.279 -17.364 1.00 0.00 H new ATOM 0 HB VAL A 53 12.008 8.657 -15.128 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.760 7.564 -13.773 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.604 6.820 -15.382 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.955 7.927 -15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.256 9.939 -13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.435 10.419 -14.683 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.743 10.957 -14.805 1.00 0.00 H new ATOM 793 N TRP A 54 13.186 11.407 -17.690 1.00 0.00 N ATOM 794 CA TRP A 54 12.562 12.664 -18.084 1.00 0.00 C ATOM 795 C TRP A 54 12.532 12.814 -19.598 1.00 0.00 C ATOM 796 O TRP A 54 13.570 12.770 -20.260 1.00 0.00 O ATOM 797 CB TRP A 54 13.306 13.857 -17.480 1.00 0.00 C ATOM 798 CG TRP A 54 13.250 13.922 -15.986 1.00 0.00 C ATOM 799 CD1 TRP A 54 14.263 13.644 -15.117 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.122 14.296 -15.184 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.838 13.825 -13.824 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.527 14.224 -13.838 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.810 14.685 -15.472 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.667 14.525 -12.784 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.959 14.985 -14.426 1.00 0.00 C ATOM 806 CH2 TRP A 54 10.391 14.905 -13.097 1.00 0.00 C ATOM 0 H TRP A 54 14.201 11.389 -17.792 1.00 0.00 H new ATOM 0 HA TRP A 54 11.539 12.646 -17.707 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.350 13.816 -17.792 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.887 14.777 -17.889 1.00 0.00 H new ATOM 0 HD1 TRP A 54 15.255 13.328 -15.404 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.406 13.685 -12.988 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.468 14.750 -16.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.996 14.461 -11.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.944 15.286 -14.637 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.702 15.149 -12.302 1.00 0.00 H new ATOM 817 N SER A 55 11.341 12.993 -20.142 1.00 0.00 N ATOM 818 CA SER A 55 11.189 13.272 -21.560 1.00 0.00 C ATOM 819 C SER A 55 10.737 14.716 -21.762 1.00 0.00 C ATOM 820 O SER A 55 9.736 15.147 -21.183 1.00 0.00 O ATOM 821 CB SER A 55 10.181 12.310 -22.188 1.00 0.00 C ATOM 822 OG SER A 55 10.561 10.960 -21.969 1.00 0.00 O ATOM 0 H SER A 55 10.464 12.950 -19.623 1.00 0.00 H new ATOM 0 HA SER A 55 12.153 13.131 -22.050 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.192 12.486 -21.765 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.108 12.502 -23.259 1.00 0.00 H new ATOM 0 HG SER A 55 9.900 10.364 -22.378 1.00 0.00 H new ATOM 828 N SER A 56 11.485 15.462 -22.562 1.00 0.00 N ATOM 829 CA SER A 56 11.166 16.857 -22.826 1.00 0.00 C ATOM 830 C SER A 56 10.011 16.976 -23.818 1.00 0.00 C ATOM 831 O SER A 56 10.128 16.578 -24.977 1.00 0.00 O ATOM 832 CB SER A 56 12.399 17.582 -23.366 1.00 0.00 C ATOM 833 OG SER A 56 13.468 17.542 -22.433 1.00 0.00 O ATOM 0 H SER A 56 12.319 15.123 -23.041 1.00 0.00 H new ATOM 0 HA SER A 56 10.859 17.321 -21.889 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.713 17.122 -24.303 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.146 18.619 -23.589 1.00 0.00 H new ATOM 0 HG SER A 56 14.244 18.011 -22.804 1.00 0.00 H new ATOM 839 N VAL A 57 8.898 17.527 -23.357 1.00 0.00 N ATOM 840 CA VAL A 57 7.729 17.713 -24.207 1.00 0.00 C ATOM 841 C VAL A 57 7.576 19.182 -24.584 1.00 0.00 C ATOM 842 O VAL A 57 6.612 19.577 -25.241 1.00 0.00 O ATOM 843 CB VAL A 57 6.440 17.212 -23.520 1.00 0.00 C ATOM 844 CG1 VAL A 57 6.498 15.708 -23.312 1.00 0.00 C ATOM 845 CG2 VAL A 57 6.220 17.926 -22.193 1.00 0.00 C ATOM 0 H VAL A 57 8.779 17.854 -22.398 1.00 0.00 H new ATOM 0 HA VAL A 57 7.883 17.122 -25.110 1.00 0.00 H new ATOM 0 HB VAL A 57 5.597 17.440 -24.172 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.582 15.372 -22.827 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.601 15.211 -24.277 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.353 15.460 -22.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.306 17.556 -21.728 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.066 17.735 -21.533 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.130 18.998 -22.367 1.00 0.00 H new ATOM 855 N ARG A 58 8.552 19.973 -24.157 1.00 0.00 N ATOM 856 CA ARG A 58 8.598 21.403 -24.425 1.00 0.00 C ATOM 857 C ARG A 58 9.982 21.910 -24.014 1.00 0.00 C ATOM 858 O ARG A 58 10.770 21.132 -23.474 1.00 0.00 O ATOM 859 CB ARG A 58 7.481 22.126 -23.646 1.00 0.00 C ATOM 860 CG ARG A 58 7.369 23.620 -23.920 1.00 0.00 C ATOM 861 CD ARG A 58 7.067 23.908 -25.379 1.00 0.00 C ATOM 862 NE ARG A 58 7.398 25.285 -25.743 1.00 0.00 N ATOM 863 CZ ARG A 58 6.498 26.241 -25.962 1.00 0.00 C ATOM 864 NH1 ARG A 58 5.208 26.009 -25.762 1.00 0.00 N ATOM 865 NH2 ARG A 58 6.890 27.444 -26.359 1.00 0.00 N ATOM 0 H ARG A 58 9.343 19.635 -23.609 1.00 0.00 H new ATOM 0 HA ARG A 58 8.434 21.604 -25.484 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.528 21.655 -23.886 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.649 21.979 -22.579 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.583 24.045 -23.296 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.300 24.111 -23.638 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.631 23.220 -26.009 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.010 23.725 -25.574 1.00 0.00 H new ATOM 0 HE ARG A 58 8.384 25.529 -25.835 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.899 25.093 -25.438 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.525 26.747 -25.932 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.882 27.637 -26.497 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.200 28.176 -26.527 1.00 0.00 H new ATOM 879 N ASP A 59 10.272 23.186 -24.282 1.00 0.00 N ATOM 880 CA ASP A 59 11.555 23.809 -23.934 1.00 0.00 C ATOM 881 C ASP A 59 12.064 23.363 -22.565 1.00 0.00 C ATOM 882 O ASP A 59 13.108 22.719 -22.466 1.00 0.00 O ATOM 883 CB ASP A 59 11.425 25.335 -23.949 1.00 0.00 C ATOM 884 CG ASP A 59 11.151 25.891 -25.332 1.00 0.00 C ATOM 885 OD1 ASP A 59 9.986 25.840 -25.778 1.00 0.00 O ATOM 886 OD2 ASP A 59 12.097 26.399 -25.970 1.00 0.00 O ATOM 0 H ASP A 59 9.622 23.819 -24.748 1.00 0.00 H new ATOM 0 HA ASP A 59 12.277 23.486 -24.684 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.620 25.632 -23.277 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.343 25.776 -23.561 1.00 0.00 H new ATOM 891 N ASP A 60 11.324 23.695 -21.514 1.00 0.00 N ATOM 892 CA ASP A 60 11.732 23.341 -20.156 1.00 0.00 C ATOM 893 C ASP A 60 10.665 22.526 -19.444 1.00 0.00 C ATOM 894 O ASP A 60 10.620 22.501 -18.215 1.00 0.00 O ATOM 895 CB ASP A 60 12.045 24.591 -19.328 1.00 0.00 C ATOM 896 CG ASP A 60 13.427 25.143 -19.594 1.00 0.00 C ATOM 897 OD1 ASP A 60 14.418 24.429 -19.326 1.00 0.00 O ATOM 898 OD2 ASP A 60 13.534 26.302 -20.045 1.00 0.00 O ATOM 0 H ASP A 60 10.443 24.206 -21.573 1.00 0.00 H new ATOM 0 HA ASP A 60 12.633 22.735 -20.249 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.304 25.360 -19.546 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.953 24.351 -18.269 1.00 0.00 H new ATOM 903 N VAL A 61 9.810 21.860 -20.206 1.00 0.00 N ATOM 904 CA VAL A 61 8.783 21.008 -19.617 1.00 0.00 C ATOM 905 C VAL A 61 9.145 19.542 -19.814 1.00 0.00 C ATOM 906 O VAL A 61 9.114 19.031 -20.937 1.00 0.00 O ATOM 907 CB VAL A 61 7.385 21.260 -20.224 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.316 20.502 -19.449 1.00 0.00 C ATOM 909 CG2 VAL A 61 7.065 22.748 -20.267 1.00 0.00 C ATOM 0 H VAL A 61 9.805 21.891 -21.226 1.00 0.00 H new ATOM 0 HA VAL A 61 8.741 21.255 -18.556 1.00 0.00 H new ATOM 0 HB VAL A 61 7.394 20.889 -21.249 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.339 20.694 -19.894 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.528 19.434 -19.487 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.314 20.835 -18.411 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.075 22.895 -20.699 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.083 23.153 -19.255 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.807 23.262 -20.878 1.00 0.00 H new ATOM 919 N MET A 62 9.505 18.876 -18.731 1.00 0.00 N ATOM 920 CA MET A 62 9.849 17.465 -18.787 1.00 0.00 C ATOM 921 C MET A 62 8.766 16.641 -18.111 1.00 0.00 C ATOM 922 O MET A 62 8.272 17.007 -17.045 1.00 0.00 O ATOM 923 CB MET A 62 11.201 17.194 -18.114 1.00 0.00 C ATOM 924 CG MET A 62 12.401 17.818 -18.818 1.00 0.00 C ATOM 925 SD MET A 62 12.502 19.609 -18.608 1.00 0.00 S ATOM 926 CE MET A 62 12.613 19.736 -16.824 1.00 0.00 C ATOM 0 H MET A 62 9.567 19.290 -17.801 1.00 0.00 H new ATOM 0 HA MET A 62 9.927 17.178 -19.836 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.163 17.567 -17.091 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.352 16.116 -18.055 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.315 17.362 -18.436 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.350 17.586 -19.882 1.00 0.00 H new ATOM 0 HE1 MET A 62 13.078 20.684 -16.555 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.613 19.687 -16.393 1.00 0.00 H new ATOM 0 HE3 MET A 62 13.215 18.914 -16.437 1.00 0.00 H new ATOM 936 N ARG A 63 8.381 15.542 -18.736 1.00 0.00 N ATOM 937 CA ARG A 63 7.396 14.653 -18.146 1.00 0.00 C ATOM 938 C ARG A 63 8.079 13.410 -17.598 1.00 0.00 C ATOM 939 O ARG A 63 9.078 12.946 -18.156 1.00 0.00 O ATOM 940 CB ARG A 63 6.329 14.248 -19.171 1.00 0.00 C ATOM 941 CG ARG A 63 6.840 13.301 -20.246 1.00 0.00 C ATOM 942 CD ARG A 63 5.716 12.800 -21.139 1.00 0.00 C ATOM 943 NE ARG A 63 6.189 11.792 -22.087 1.00 0.00 N ATOM 944 CZ ARG A 63 5.562 11.469 -23.218 1.00 0.00 C ATOM 945 NH1 ARG A 63 4.389 12.014 -23.516 1.00 0.00 N ATOM 946 NH2 ARG A 63 6.101 10.577 -24.041 1.00 0.00 N ATOM 0 H ARG A 63 8.733 15.245 -19.646 1.00 0.00 H new ATOM 0 HA ARG A 63 6.904 15.187 -17.333 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.497 13.775 -18.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.937 15.146 -19.648 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.587 13.811 -20.854 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.337 12.452 -19.776 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.923 12.377 -20.523 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.283 13.638 -21.685 1.00 0.00 H new ATOM 0 HE ARG A 63 7.057 11.303 -21.868 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.961 12.685 -22.878 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.915 11.762 -24.383 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.993 10.141 -23.807 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.623 10.328 -24.907 1.00 0.00 H new ATOM 960 N LEU A 64 7.560 12.895 -16.497 1.00 0.00 N ATOM 961 CA LEU A 64 8.029 11.632 -15.959 1.00 0.00 C ATOM 962 C LEU A 64 7.425 10.506 -16.789 1.00 0.00 C ATOM 963 O LEU A 64 6.202 10.383 -16.885 1.00 0.00 O ATOM 964 CB LEU A 64 7.626 11.498 -14.481 1.00 0.00 C ATOM 965 CG LEU A 64 8.525 10.602 -13.612 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.503 9.155 -14.085 1.00 0.00 C ATOM 967 CD2 LEU A 64 9.948 11.133 -13.599 1.00 0.00 C ATOM 0 H LEU A 64 6.813 13.333 -15.958 1.00 0.00 H new ATOM 0 HA LEU A 64 9.117 11.583 -16.009 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.606 12.494 -14.039 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.609 11.109 -14.437 1.00 0.00 H new ATOM 0 HG LEU A 64 8.129 10.623 -12.597 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.150 8.554 -13.446 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.484 8.771 -14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.859 9.103 -15.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.571 10.488 -12.980 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.340 11.149 -14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.955 12.144 -13.192 1.00 0.00 H new ATOM 979 N GLY A 65 8.274 9.713 -17.417 1.00 0.00 N ATOM 980 CA GLY A 65 7.789 8.647 -18.265 1.00 0.00 C ATOM 981 C GLY A 65 7.814 7.305 -17.577 1.00 0.00 C ATOM 982 O GLY A 65 8.871 6.832 -17.187 1.00 0.00 O ATOM 0 H GLY A 65 9.289 9.787 -17.356 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.770 8.872 -18.579 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.397 8.600 -19.168 1.00 0.00 H new ATOM 986 N ARG A 66 6.652 6.680 -17.441 1.00 0.00 N ATOM 987 CA ARG A 66 6.567 5.353 -16.832 1.00 0.00 C ATOM 988 C ARG A 66 7.261 4.298 -17.693 1.00 0.00 C ATOM 989 O ARG A 66 7.505 3.179 -17.245 1.00 0.00 O ATOM 990 CB ARG A 66 5.112 4.957 -16.520 1.00 0.00 C ATOM 991 CG ARG A 66 4.083 5.300 -17.594 1.00 0.00 C ATOM 992 CD ARG A 66 4.109 4.338 -18.772 1.00 0.00 C ATOM 993 NE ARG A 66 3.007 4.609 -19.696 1.00 0.00 N ATOM 994 CZ ARG A 66 2.388 3.680 -20.427 1.00 0.00 C ATOM 995 NH1 ARG A 66 2.828 2.429 -20.441 1.00 0.00 N ATOM 996 NH2 ARG A 66 1.337 4.012 -21.161 1.00 0.00 N ATOM 0 H ARG A 66 5.757 7.066 -17.742 1.00 0.00 H new ATOM 0 HA ARG A 66 7.097 5.402 -15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.079 3.882 -16.342 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.815 5.443 -15.591 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.087 5.295 -17.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.266 6.312 -17.955 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.059 4.427 -19.298 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.040 3.312 -18.410 1.00 0.00 H new ATOM 0 HE ARG A 66 2.690 5.574 -19.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.646 2.170 -19.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.348 1.726 -21.003 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.003 4.976 -21.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.862 3.304 -21.721 1.00 0.00 H new ATOM 1010 N GLU A 67 7.573 4.662 -18.931 1.00 0.00 N ATOM 1011 CA GLU A 67 8.294 3.778 -19.841 1.00 0.00 C ATOM 1012 C GLU A 67 9.654 3.365 -19.267 1.00 0.00 C ATOM 1013 O GLU A 67 10.142 2.271 -19.552 1.00 0.00 O ATOM 1014 CB GLU A 67 8.471 4.460 -21.200 1.00 0.00 C ATOM 1015 CG GLU A 67 9.243 5.766 -21.135 1.00 0.00 C ATOM 1016 CD GLU A 67 9.017 6.628 -22.356 1.00 0.00 C ATOM 1017 OE1 GLU A 67 9.591 6.326 -23.423 1.00 0.00 O ATOM 1018 OE2 GLU A 67 8.247 7.606 -22.257 1.00 0.00 O ATOM 0 H GLU A 67 7.336 5.570 -19.331 1.00 0.00 H new ATOM 0 HA GLU A 67 7.704 2.871 -19.969 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.987 3.777 -21.874 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.488 4.651 -21.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.945 6.318 -20.243 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.307 5.552 -21.036 1.00 0.00 H new ATOM 1025 N GLN A 68 10.258 4.228 -18.445 1.00 0.00 N ATOM 1026 CA GLN A 68 11.546 3.910 -17.833 1.00 0.00 C ATOM 1027 C GLN A 68 11.400 2.734 -16.870 1.00 0.00 C ATOM 1028 O GLN A 68 12.318 1.932 -16.714 1.00 0.00 O ATOM 1029 CB GLN A 68 12.168 5.143 -17.141 1.00 0.00 C ATOM 1030 CG GLN A 68 11.289 5.828 -16.103 1.00 0.00 C ATOM 1031 CD GLN A 68 11.355 5.203 -14.722 1.00 0.00 C ATOM 1032 OE1 GLN A 68 10.392 5.254 -13.967 1.00 0.00 O ATOM 1033 NE2 GLN A 68 12.493 4.624 -14.378 1.00 0.00 N ATOM 0 H GLN A 68 9.880 5.141 -18.192 1.00 0.00 H new ATOM 0 HA GLN A 68 12.235 3.615 -18.624 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.097 4.837 -16.659 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.431 5.873 -17.907 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.582 6.875 -16.030 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.256 5.809 -16.449 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.273 4.602 -15.035 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.591 4.200 -13.456 1.00 0.00 H new ATOM 1042 N LEU A 69 10.228 2.621 -16.256 1.00 0.00 N ATOM 1043 CA LEU A 69 9.933 1.520 -15.348 1.00 0.00 C ATOM 1044 C LEU A 69 9.911 0.198 -16.105 1.00 0.00 C ATOM 1045 O LEU A 69 10.429 -0.814 -15.630 1.00 0.00 O ATOM 1046 CB LEU A 69 8.580 1.751 -14.669 1.00 0.00 C ATOM 1047 CG LEU A 69 8.514 2.970 -13.751 1.00 0.00 C ATOM 1048 CD1 LEU A 69 7.072 3.388 -13.520 1.00 0.00 C ATOM 1049 CD2 LEU A 69 9.199 2.673 -12.427 1.00 0.00 C ATOM 0 H LEU A 69 9.462 3.284 -16.372 1.00 0.00 H new ATOM 0 HA LEU A 69 10.714 1.477 -14.589 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.817 1.855 -15.441 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.327 0.864 -14.088 1.00 0.00 H new ATOM 0 HG LEU A 69 9.037 3.795 -14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.046 4.258 -12.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.609 3.639 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.525 2.567 -13.056 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.144 3.551 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.701 1.834 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.244 2.420 -12.607 1.00 0.00 H new ATOM 1061 N GLN A 70 9.324 0.224 -17.299 1.00 0.00 N ATOM 1062 CA GLN A 70 9.222 -0.968 -18.133 1.00 0.00 C ATOM 1063 C GLN A 70 10.607 -1.454 -18.547 1.00 0.00 C ATOM 1064 O GLN A 70 10.843 -2.653 -18.690 1.00 0.00 O ATOM 1065 CB GLN A 70 8.379 -0.684 -19.381 1.00 0.00 C ATOM 1066 CG GLN A 70 6.967 -0.200 -19.078 1.00 0.00 C ATOM 1067 CD GLN A 70 6.135 -1.212 -18.305 1.00 0.00 C ATOM 1068 OE1 GLN A 70 5.258 -0.839 -17.525 1.00 0.00 O ATOM 1069 NE2 GLN A 70 6.385 -2.494 -18.526 1.00 0.00 N ATOM 0 H GLN A 70 8.911 1.061 -17.711 1.00 0.00 H new ATOM 0 HA GLN A 70 8.734 -1.747 -17.547 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.887 0.066 -19.987 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.320 -1.592 -19.981 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.023 0.726 -18.506 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.462 0.034 -20.015 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.120 -2.765 -19.180 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.843 -3.210 -18.043 1.00 0.00 H new ATOM 1078 N ILE A 71 11.515 -0.516 -18.755 1.00 0.00 N ATOM 1079 CA ILE A 71 12.885 -0.849 -19.110 1.00 0.00 C ATOM 1080 C ILE A 71 13.660 -1.354 -17.892 1.00 0.00 C ATOM 1081 O ILE A 71 14.343 -2.377 -17.959 1.00 0.00 O ATOM 1082 CB ILE A 71 13.611 0.361 -19.737 1.00 0.00 C ATOM 1083 CG1 ILE A 71 12.855 0.831 -20.983 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.052 0.004 -20.086 1.00 0.00 C ATOM 1085 CD1 ILE A 71 13.452 2.057 -21.639 1.00 0.00 C ATOM 0 H ILE A 71 11.328 0.484 -18.684 1.00 0.00 H new ATOM 0 HA ILE A 71 12.845 -1.647 -19.852 1.00 0.00 H new ATOM 0 HB ILE A 71 13.633 1.173 -19.010 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.831 0.018 -21.709 1.00 0.00 H new ATOM 0 HG13 ILE A 71 11.822 1.045 -20.710 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.545 0.871 -20.526 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.582 -0.294 -19.182 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.060 -0.820 -20.800 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.860 2.326 -22.514 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.451 2.886 -20.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.476 1.843 -21.946 1.00 0.00 H new ATOM 1097 N LEU A 72 13.531 -0.649 -16.771 1.00 0.00 N ATOM 1098 CA LEU A 72 14.298 -0.980 -15.572 1.00 0.00 C ATOM 1099 C LEU A 72 13.893 -2.328 -14.983 1.00 0.00 C ATOM 1100 O LEU A 72 14.695 -2.977 -14.307 1.00 0.00 O ATOM 1101 CB LEU A 72 14.157 0.110 -14.507 1.00 0.00 C ATOM 1102 CG LEU A 72 14.707 1.485 -14.895 1.00 0.00 C ATOM 1103 CD1 LEU A 72 14.722 2.407 -13.689 1.00 0.00 C ATOM 1104 CD2 LEU A 72 16.103 1.363 -15.491 1.00 0.00 C ATOM 0 H LEU A 72 12.906 0.151 -16.667 1.00 0.00 H new ATOM 0 HA LEU A 72 15.341 -1.045 -15.881 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.101 0.217 -14.259 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.665 -0.223 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 72 14.052 1.913 -15.653 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.116 3.381 -13.980 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.707 2.525 -13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.354 1.978 -12.911 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.472 2.353 -15.759 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.773 0.912 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.065 0.737 -16.382 1.00 0.00 H new ATOM 1116 N LEU A 73 12.658 -2.756 -15.232 1.00 0.00 N ATOM 1117 CA LEU A 73 12.190 -4.034 -14.706 1.00 0.00 C ATOM 1118 C LEU A 73 12.951 -5.197 -15.339 1.00 0.00 C ATOM 1119 O LEU A 73 13.064 -6.268 -14.742 1.00 0.00 O ATOM 1120 CB LEU A 73 10.664 -4.191 -14.857 1.00 0.00 C ATOM 1121 CG LEU A 73 10.094 -4.228 -16.281 1.00 0.00 C ATOM 1122 CD1 LEU A 73 10.250 -5.606 -16.911 1.00 0.00 C ATOM 1123 CD2 LEU A 73 8.629 -3.825 -16.261 1.00 0.00 C ATOM 0 H LEU A 73 11.972 -2.244 -15.787 1.00 0.00 H new ATOM 0 HA LEU A 73 12.399 -4.049 -13.636 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.369 -5.111 -14.352 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.187 -3.368 -14.325 1.00 0.00 H new ATOM 0 HG LEU A 73 10.658 -3.520 -16.888 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.835 -5.594 -17.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.307 -5.868 -16.957 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.719 -6.344 -16.309 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.230 -3.853 -17.275 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.070 -4.517 -15.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.535 -2.815 -15.862 1.00 0.00 H new ATOM 1135 N GLU A 74 13.474 -4.987 -16.549 1.00 0.00 N ATOM 1136 CA GLU A 74 14.323 -5.987 -17.188 1.00 0.00 C ATOM 1137 C GLU A 74 15.587 -6.198 -16.367 1.00 0.00 C ATOM 1138 O GLU A 74 16.065 -7.321 -16.216 1.00 0.00 O ATOM 1139 CB GLU A 74 14.702 -5.582 -18.615 1.00 0.00 C ATOM 1140 CG GLU A 74 13.566 -5.697 -19.617 1.00 0.00 C ATOM 1141 CD GLU A 74 14.053 -5.588 -21.049 1.00 0.00 C ATOM 1142 OE1 GLU A 74 14.671 -6.555 -21.546 1.00 0.00 O ATOM 1143 OE2 GLU A 74 13.818 -4.543 -21.690 1.00 0.00 O ATOM 0 H GLU A 74 13.325 -4.141 -17.099 1.00 0.00 H new ATOM 0 HA GLU A 74 13.755 -6.916 -17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.060 -4.553 -18.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.531 -6.205 -18.950 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.058 -6.651 -19.479 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.833 -4.914 -19.424 1.00 0.00 H new ATOM 1150 N GLN A 75 16.120 -5.107 -15.832 1.00 0.00 N ATOM 1151 CA GLN A 75 17.290 -5.173 -14.968 1.00 0.00 C ATOM 1152 C GLN A 75 16.896 -5.762 -13.619 1.00 0.00 C ATOM 1153 O GLN A 75 17.549 -6.677 -13.118 1.00 0.00 O ATOM 1154 CB GLN A 75 17.904 -3.781 -14.792 1.00 0.00 C ATOM 1155 CG GLN A 75 18.361 -3.151 -16.100 1.00 0.00 C ATOM 1156 CD GLN A 75 19.424 -3.973 -16.802 1.00 0.00 C ATOM 1157 OE1 GLN A 75 20.617 -3.788 -16.574 1.00 0.00 O ATOM 1158 NE2 GLN A 75 18.998 -4.888 -17.660 1.00 0.00 N ATOM 0 H GLN A 75 15.759 -4.165 -15.982 1.00 0.00 H new ATOM 0 HA GLN A 75 18.039 -5.816 -15.429 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.172 -3.127 -14.319 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.755 -3.851 -14.114 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.503 -3.032 -16.761 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.751 -2.153 -15.902 1.00 0.00 H new ATOM 0 HE21 GLN A 75 17.998 -5.010 -17.821 1.00 0.00 H new ATOM 0 HE22 GLN A 75 19.670 -5.471 -18.160 1.00 0.00 H new ATOM 1167 N ASN A 76 15.825 -5.209 -13.043 1.00 0.00 N ATOM 1168 CA ASN A 76 15.195 -5.740 -11.826 1.00 0.00 C ATOM 1169 C ASN A 76 16.023 -5.444 -10.574 1.00 0.00 C ATOM 1170 O ASN A 76 15.547 -5.602 -9.450 1.00 0.00 O ATOM 1171 CB ASN A 76 14.938 -7.249 -11.972 1.00 0.00 C ATOM 1172 CG ASN A 76 14.215 -7.857 -10.784 1.00 0.00 C ATOM 1173 OD1 ASN A 76 14.842 -8.340 -9.840 1.00 0.00 O ATOM 1174 ND2 ASN A 76 12.893 -7.849 -10.829 1.00 0.00 N ATOM 0 H ASN A 76 15.366 -4.375 -13.409 1.00 0.00 H new ATOM 0 HA ASN A 76 14.239 -5.232 -11.701 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.351 -7.424 -12.873 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.891 -7.760 -12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.354 -8.253 -10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.412 -7.439 -11.630 1.00 0.00 H new ATOM 1181 N ILE A 77 17.249 -4.981 -10.768 1.00 0.00 N ATOM 1182 CA ILE A 77 18.146 -4.710 -9.655 1.00 0.00 C ATOM 1183 C ILE A 77 17.833 -3.374 -8.972 1.00 0.00 C ATOM 1184 O ILE A 77 18.612 -2.421 -9.026 1.00 0.00 O ATOM 1185 CB ILE A 77 19.632 -4.794 -10.088 1.00 0.00 C ATOM 1186 CG1 ILE A 77 19.855 -4.239 -11.507 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.101 -6.237 -10.021 1.00 0.00 C ATOM 1188 CD1 ILE A 77 19.939 -2.731 -11.590 1.00 0.00 C ATOM 0 H ILE A 77 17.646 -4.785 -11.687 1.00 0.00 H new ATOM 0 HA ILE A 77 17.975 -5.491 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 77 20.212 -4.179 -9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 77 20.776 -4.663 -11.908 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.042 -4.580 -12.148 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.146 -6.294 -10.326 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.000 -6.605 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.494 -6.848 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.097 -2.432 -12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.010 -2.294 -11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.771 -2.379 -10.980 1.00 0.00 H new ATOM 1200 N ASN A 78 16.680 -3.327 -8.309 1.00 0.00 N ATOM 1201 CA ASN A 78 16.226 -2.123 -7.617 1.00 0.00 C ATOM 1202 C ASN A 78 17.175 -1.766 -6.482 1.00 0.00 C ATOM 1203 O ASN A 78 17.348 -0.597 -6.150 1.00 0.00 O ATOM 1204 CB ASN A 78 14.800 -2.314 -7.079 1.00 0.00 C ATOM 1205 CG ASN A 78 14.725 -3.277 -5.903 1.00 0.00 C ATOM 1206 OD1 ASN A 78 14.698 -4.495 -6.082 1.00 0.00 O ATOM 1207 ND2 ASN A 78 14.665 -2.739 -4.695 1.00 0.00 N ATOM 0 H ASN A 78 16.038 -4.116 -8.236 1.00 0.00 H new ATOM 0 HA ASN A 78 16.219 -1.301 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.402 -1.346 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.162 -2.682 -7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.594 -3.338 -3.873 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.690 -1.725 -4.586 1.00 0.00 H new ATOM 1214 N GLU A 79 17.807 -2.784 -5.920 1.00 0.00 N ATOM 1215 CA GLU A 79 18.747 -2.609 -4.824 1.00 0.00 C ATOM 1216 C GLU A 79 20.047 -1.988 -5.323 1.00 0.00 C ATOM 1217 O GLU A 79 20.686 -1.197 -4.630 1.00 0.00 O ATOM 1218 CB GLU A 79 19.027 -3.969 -4.191 1.00 0.00 C ATOM 1219 CG GLU A 79 20.065 -3.953 -3.086 1.00 0.00 C ATOM 1220 CD GLU A 79 20.514 -5.351 -2.731 1.00 0.00 C ATOM 1221 OE1 GLU A 79 19.716 -6.099 -2.126 1.00 0.00 O ATOM 1222 OE2 GLU A 79 21.648 -5.724 -3.093 1.00 0.00 O ATOM 0 H GLU A 79 17.683 -3.754 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 79 18.313 -1.937 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.095 -4.366 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.357 -4.656 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.925 -3.362 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.651 -3.467 -2.203 1.00 0.00 H new ATOM 1229 N ARG A 80 20.423 -2.343 -6.542 1.00 0.00 N ATOM 1230 CA ARG A 80 21.696 -1.914 -7.100 1.00 0.00 C ATOM 1231 C ARG A 80 21.578 -0.526 -7.714 1.00 0.00 C ATOM 1232 O ARG A 80 22.373 0.363 -7.421 1.00 0.00 O ATOM 1233 CB ARG A 80 22.167 -2.915 -8.152 1.00 0.00 C ATOM 1234 CG ARG A 80 23.654 -2.827 -8.455 1.00 0.00 C ATOM 1235 CD ARG A 80 24.123 -4.005 -9.292 1.00 0.00 C ATOM 1236 NE ARG A 80 23.970 -5.278 -8.584 1.00 0.00 N ATOM 1237 CZ ARG A 80 24.684 -6.372 -8.856 1.00 0.00 C ATOM 1238 NH1 ARG A 80 25.612 -6.350 -9.808 1.00 0.00 N ATOM 1239 NH2 ARG A 80 24.477 -7.486 -8.165 1.00 0.00 N ATOM 0 H ARG A 80 19.864 -2.927 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 80 22.428 -1.870 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.933 -3.924 -7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.607 -2.752 -9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.864 -1.897 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.215 -2.797 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 80 23.556 -4.037 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.170 -3.864 -9.562 1.00 0.00 H new ATOM 0 HE ARG A 80 23.276 -5.331 -7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 80 25.782 -5.493 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.154 -7.190 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.773 -7.505 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 80 25.022 -8.323 -8.372 1.00 0.00 H new ATOM 1253 N LEU A 81 20.569 -0.344 -8.554 1.00 0.00 N ATOM 1254 CA LEU A 81 20.374 0.927 -9.247 1.00 0.00 C ATOM 1255 C LEU A 81 19.697 1.946 -8.327 1.00 0.00 C ATOM 1256 O LEU A 81 19.625 3.133 -8.645 1.00 0.00 O ATOM 1257 CB LEU A 81 19.538 0.711 -10.511 1.00 0.00 C ATOM 1258 CG LEU A 81 19.609 1.836 -11.546 1.00 0.00 C ATOM 1259 CD1 LEU A 81 20.990 1.891 -12.177 1.00 0.00 C ATOM 1260 CD2 LEU A 81 18.542 1.646 -12.612 1.00 0.00 C ATOM 0 H LEU A 81 19.873 -1.057 -8.774 1.00 0.00 H new ATOM 0 HA LEU A 81 21.349 1.321 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.860 -0.216 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.497 0.575 -10.219 1.00 0.00 H new ATOM 0 HG LEU A 81 19.424 2.783 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.023 2.697 -12.911 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.736 2.074 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.203 0.942 -12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.607 2.455 -13.340 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.696 0.692 -13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.557 1.655 -12.146 1.00 0.00 H new ATOM 1272 N ASN A 82 19.200 1.459 -7.186 1.00 0.00 N ATOM 1273 CA ASN A 82 18.581 2.307 -6.159 1.00 0.00 C ATOM 1274 C ASN A 82 17.268 2.914 -6.637 1.00 0.00 C ATOM 1275 O ASN A 82 17.005 4.094 -6.398 1.00 0.00 O ATOM 1276 CB ASN A 82 19.528 3.429 -5.700 1.00 0.00 C ATOM 1277 CG ASN A 82 20.549 2.979 -4.669 1.00 0.00 C ATOM 1278 OD1 ASN A 82 20.939 3.750 -3.791 1.00 0.00 O ATOM 1279 ND2 ASN A 82 21.002 1.743 -4.773 1.00 0.00 N ATOM 0 H ASN A 82 19.215 0.467 -6.947 1.00 0.00 H new ATOM 0 HA ASN A 82 18.373 1.654 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.052 3.828 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.937 4.244 -5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.699 1.398 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.655 1.133 -5.514 1.00 0.00 H new ATOM 1286 N ILE A 83 16.432 2.105 -7.288 1.00 0.00 N ATOM 1287 CA ILE A 83 15.111 2.566 -7.705 1.00 0.00 C ATOM 1288 C ILE A 83 14.315 3.018 -6.484 1.00 0.00 C ATOM 1289 O ILE A 83 14.120 2.252 -5.534 1.00 0.00 O ATOM 1290 CB ILE A 83 14.310 1.489 -8.489 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.840 1.343 -9.920 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.824 1.830 -8.524 1.00 0.00 C ATOM 1293 CD1 ILE A 83 16.119 0.549 -10.033 1.00 0.00 C ATOM 0 H ILE A 83 16.644 1.138 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 83 15.266 3.402 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 83 14.441 0.541 -7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.074 0.865 -10.531 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.005 2.337 -10.336 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.287 1.060 -9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.438 1.880 -7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.683 2.794 -9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.423 0.495 -11.078 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.902 1.036 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.957 -0.459 -9.650 1.00 0.00 H new ATOM 1305 N GLY A 84 13.885 4.273 -6.514 1.00 0.00 N ATOM 1306 CA GLY A 84 13.215 4.864 -5.378 1.00 0.00 C ATOM 1307 C GLY A 84 11.876 4.226 -5.075 1.00 0.00 C ATOM 1308 O GLY A 84 11.242 3.629 -5.945 1.00 0.00 O ATOM 0 H GLY A 84 13.991 4.895 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.857 4.779 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.069 5.928 -5.564 1.00 0.00 H new ATOM 1312 N GLU A 85 11.446 4.376 -3.838 1.00 0.00 N ATOM 1313 CA GLU A 85 10.175 3.838 -3.381 1.00 0.00 C ATOM 1314 C GLU A 85 8.992 4.559 -4.039 1.00 0.00 C ATOM 1315 O GLU A 85 8.050 3.906 -4.487 1.00 0.00 O ATOM 1316 CB GLU A 85 10.103 3.926 -1.858 1.00 0.00 C ATOM 1317 CG GLU A 85 11.188 3.115 -1.174 1.00 0.00 C ATOM 1318 CD GLU A 85 11.458 3.569 0.240 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.730 3.139 1.158 1.00 0.00 O ATOM 1320 OE2 GLU A 85 12.421 4.338 0.443 1.00 0.00 O ATOM 0 H GLU A 85 11.968 4.875 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 85 10.110 2.791 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.188 4.969 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.127 3.575 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.897 2.065 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.108 3.185 -1.755 1.00 0.00 H new ATOM 1327 N PRO A 86 9.005 5.913 -4.114 1.00 0.00 N ATOM 1328 CA PRO A 86 8.005 6.656 -4.892 1.00 0.00 C ATOM 1329 C PRO A 86 7.994 6.224 -6.359 1.00 0.00 C ATOM 1330 O PRO A 86 6.981 6.319 -7.046 1.00 0.00 O ATOM 1331 CB PRO A 86 8.460 8.113 -4.770 1.00 0.00 C ATOM 1332 CG PRO A 86 9.253 8.160 -3.514 1.00 0.00 C ATOM 1333 CD PRO A 86 9.937 6.828 -3.417 1.00 0.00 C ATOM 0 HA PRO A 86 6.992 6.486 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.061 8.413 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.608 8.791 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.979 8.972 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.610 8.334 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.917 6.844 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.092 6.530 -2.380 1.00 0.00 H new ATOM 1341 N LEU A 87 9.126 5.726 -6.827 1.00 0.00 N ATOM 1342 CA LEU A 87 9.241 5.253 -8.199 1.00 0.00 C ATOM 1343 C LEU A 87 8.518 3.918 -8.346 1.00 0.00 C ATOM 1344 O LEU A 87 7.953 3.612 -9.395 1.00 0.00 O ATOM 1345 CB LEU A 87 10.718 5.116 -8.602 1.00 0.00 C ATOM 1346 CG LEU A 87 11.480 6.431 -8.846 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.852 7.206 -9.993 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.529 7.292 -7.592 1.00 0.00 C ATOM 0 H LEU A 87 9.981 5.638 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 87 8.777 5.981 -8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.236 4.560 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.771 4.515 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 87 12.505 6.172 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.404 8.133 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.886 6.604 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.815 7.438 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.075 8.212 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.514 7.536 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.033 6.746 -6.795 1.00 0.00 H new ATOM 1360 N LEU A 88 8.520 3.140 -7.270 1.00 0.00 N ATOM 1361 CA LEU A 88 7.816 1.866 -7.240 1.00 0.00 C ATOM 1362 C LEU A 88 6.306 2.089 -7.237 1.00 0.00 C ATOM 1363 O LEU A 88 5.560 1.369 -7.901 1.00 0.00 O ATOM 1364 CB LEU A 88 8.224 1.057 -6.004 1.00 0.00 C ATOM 1365 CG LEU A 88 9.710 0.695 -5.915 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.019 0.039 -4.578 1.00 0.00 C ATOM 1367 CD2 LEU A 88 10.108 -0.225 -7.060 1.00 0.00 C ATOM 0 H LEU A 88 9.004 3.372 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 88 8.088 1.306 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.952 1.624 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.642 0.136 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 88 10.291 1.614 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.079 -0.212 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.773 0.728 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.426 -0.870 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.167 -0.470 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.519 -1.141 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.924 0.276 -8.010 1.00 0.00 H new ATOM 1379 N VAL A 89 5.860 3.096 -6.491 1.00 0.00 N ATOM 1380 CA VAL A 89 4.438 3.407 -6.408 1.00 0.00 C ATOM 1381 C VAL A 89 3.940 4.014 -7.719 1.00 0.00 C ATOM 1382 O VAL A 89 2.777 3.839 -8.087 1.00 0.00 O ATOM 1383 CB VAL A 89 4.086 4.326 -5.210 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.669 3.763 -3.922 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.552 5.757 -5.427 1.00 0.00 C ATOM 0 H VAL A 89 6.460 3.708 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 89 3.924 2.462 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 89 2.999 4.352 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.414 4.419 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.258 2.770 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.753 3.696 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.283 6.362 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.634 5.771 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.074 6.164 -6.318 1.00 0.00 H new ATOM 1395 N TYR A 90 4.822 4.738 -8.410 1.00 0.00 N ATOM 1396 CA TYR A 90 4.507 5.300 -9.723 1.00 0.00 C ATOM 1397 C TYR A 90 4.025 4.194 -10.664 1.00 0.00 C ATOM 1398 O TYR A 90 3.050 4.363 -11.395 1.00 0.00 O ATOM 1399 CB TYR A 90 5.745 5.991 -10.320 1.00 0.00 C ATOM 1400 CG TYR A 90 5.437 6.933 -11.470 1.00 0.00 C ATOM 1401 CD1 TYR A 90 5.014 6.454 -12.706 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.555 8.308 -11.310 1.00 0.00 C ATOM 1403 CE1 TYR A 90 4.721 7.319 -13.744 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.259 9.176 -12.342 1.00 0.00 C ATOM 1405 CZ TYR A 90 4.842 8.678 -13.555 1.00 0.00 C ATOM 1406 OH TYR A 90 4.538 9.543 -14.581 1.00 0.00 O ATOM 0 H TYR A 90 5.764 4.949 -8.080 1.00 0.00 H new ATOM 0 HA TYR A 90 3.715 6.039 -9.605 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.251 6.550 -9.533 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.442 5.228 -10.667 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.913 5.389 -12.857 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.884 8.705 -10.361 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.399 6.931 -14.699 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.354 10.242 -12.198 1.00 0.00 H new ATOM 0 HH TYR A 90 5.292 9.587 -15.206 1.00 0.00 H new ATOM 1416 N LEU A 91 4.709 3.054 -10.615 1.00 0.00 N ATOM 1417 CA LEU A 91 4.377 1.912 -11.461 1.00 0.00 C ATOM 1418 C LEU A 91 3.004 1.350 -11.091 1.00 0.00 C ATOM 1419 O LEU A 91 2.264 0.868 -11.952 1.00 0.00 O ATOM 1420 CB LEU A 91 5.471 0.837 -11.324 1.00 0.00 C ATOM 1421 CG LEU A 91 5.416 -0.329 -12.324 1.00 0.00 C ATOM 1422 CD1 LEU A 91 6.802 -0.931 -12.498 1.00 0.00 C ATOM 1423 CD2 LEU A 91 4.445 -1.407 -11.858 1.00 0.00 C ATOM 0 H LEU A 91 5.502 2.897 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 91 4.331 2.235 -12.501 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.442 1.324 -11.421 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.420 0.425 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 91 5.065 0.062 -13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.754 -1.756 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.485 -0.169 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.162 -1.300 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.427 -2.219 -12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.767 -1.793 -10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.446 -0.981 -11.765 1.00 0.00 H new ATOM 1435 N ARG A 92 2.669 1.433 -9.807 1.00 0.00 N ATOM 1436 CA ARG A 92 1.400 0.918 -9.307 1.00 0.00 C ATOM 1437 C ARG A 92 0.232 1.690 -9.907 1.00 0.00 C ATOM 1438 O ARG A 92 -0.650 1.105 -10.539 1.00 0.00 O ATOM 1439 CB ARG A 92 1.347 1.009 -7.779 1.00 0.00 C ATOM 1440 CG ARG A 92 2.470 0.260 -7.086 1.00 0.00 C ATOM 1441 CD ARG A 92 2.420 0.444 -5.577 1.00 0.00 C ATOM 1442 NE ARG A 92 1.204 -0.116 -4.988 1.00 0.00 N ATOM 1443 CZ ARG A 92 1.154 -1.298 -4.375 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.241 -2.056 -4.290 1.00 0.00 N ATOM 1445 NH2 ARG A 92 0.017 -1.728 -3.844 1.00 0.00 N ATOM 0 H ARG A 92 3.262 1.854 -9.092 1.00 0.00 H new ATOM 0 HA ARG A 92 1.322 -0.128 -9.604 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.385 2.058 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.391 0.615 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.402 -0.801 -7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.430 0.612 -7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.291 -0.032 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 92 2.479 1.506 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 92 0.345 0.430 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 92 3.120 -1.734 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 92 2.197 -2.960 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.823 -1.153 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.017 -2.633 -3.376 1.00 0.00 H new ATOM 1459 N ARG A 93 0.236 3.001 -9.708 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.819 3.863 -10.226 1.00 0.00 C ATOM 1461 C ARG A 93 -0.504 5.322 -9.942 1.00 0.00 C ATOM 1462 O ARG A 93 -0.200 5.693 -8.813 1.00 0.00 O ATOM 1463 CB ARG A 93 -2.176 3.506 -9.603 1.00 0.00 C ATOM 1464 CG ARG A 93 -3.320 4.400 -10.064 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.545 4.305 -11.566 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.916 2.954 -11.981 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.012 2.559 -13.247 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -3.780 3.410 -14.241 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -4.349 1.304 -13.512 1.00 0.00 N ATOM 0 H ARG A 93 0.962 3.494 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.873 3.708 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.416 2.471 -9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.094 3.567 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.234 4.118 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.104 5.434 -9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.330 5.002 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.637 4.608 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.114 2.269 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.526 4.376 -14.036 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.856 3.097 -15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.532 0.653 -12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.426 0.990 -14.479 1.00 0.00 H new ATOM 1483 N GLN A 94 -0.558 6.139 -10.975 1.00 0.00 N ATOM 1484 CA GLN A 94 -0.447 7.576 -10.818 1.00 0.00 C ATOM 1485 C GLN A 94 -1.721 8.243 -11.296 1.00 0.00 C ATOM 1486 O GLN A 94 -2.352 7.778 -12.247 1.00 0.00 O ATOM 1487 CB GLN A 94 0.755 8.119 -11.587 1.00 0.00 C ATOM 1488 CG GLN A 94 2.086 7.741 -10.967 1.00 0.00 C ATOM 1489 CD GLN A 94 2.267 8.314 -9.574 1.00 0.00 C ATOM 1490 OE1 GLN A 94 2.767 9.422 -9.408 1.00 0.00 O ATOM 1491 NE2 GLN A 94 1.859 7.568 -8.562 1.00 0.00 N ATOM 0 H GLN A 94 -0.679 5.829 -11.939 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.299 7.799 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.721 7.747 -12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.683 9.205 -11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.166 6.655 -10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.894 8.093 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.448 6.651 -8.737 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.955 7.909 -7.606 1.00 0.00 H new ATOM 1500 N ASP A 95 -2.106 9.317 -10.625 1.00 0.00 N ATOM 1501 CA ASP A 95 -3.325 10.034 -10.971 1.00 0.00 C ATOM 1502 C ASP A 95 -3.199 10.652 -12.358 1.00 0.00 C ATOM 1503 O ASP A 95 -4.120 10.581 -13.172 1.00 0.00 O ATOM 1504 CB ASP A 95 -3.618 11.118 -9.936 1.00 0.00 C ATOM 1505 CG ASP A 95 -4.981 11.745 -10.132 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -5.978 11.165 -9.645 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -5.066 12.813 -10.766 1.00 0.00 O ATOM 0 H ASP A 95 -1.592 9.712 -9.837 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.153 9.325 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.559 10.688 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.852 11.892 -9.996 1.00 0.00 H new ATOM 1512 N LEU A 96 -2.044 11.239 -12.627 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.764 11.818 -13.931 1.00 0.00 C ATOM 1514 C LEU A 96 -0.831 10.903 -14.713 1.00 0.00 C ATOM 1515 O LEU A 96 0.210 10.491 -14.201 1.00 0.00 O ATOM 1516 CB LEU A 96 -1.130 13.204 -13.784 1.00 0.00 C ATOM 1517 CG LEU A 96 -1.972 14.236 -13.030 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -1.204 15.540 -12.879 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -3.290 14.479 -13.749 1.00 0.00 C ATOM 0 H LEU A 96 -1.281 11.327 -11.955 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.705 11.924 -14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.175 13.095 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.915 13.593 -14.779 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.188 13.843 -12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.817 16.263 -12.341 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.284 15.358 -12.323 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.960 15.935 -13.865 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.875 15.216 -13.198 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.093 14.851 -14.754 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.848 13.545 -13.811 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.198 10.565 -15.958 1.00 0.00 N ATOM 1532 CA PRO A 97 -0.375 9.710 -16.818 1.00 0.00 C ATOM 1533 C PRO A 97 0.959 10.369 -17.151 1.00 0.00 C ATOM 1534 O PRO A 97 2.009 9.722 -17.157 1.00 0.00 O ATOM 1535 CB PRO A 97 -1.225 9.530 -18.082 1.00 0.00 C ATOM 1536 CG PRO A 97 -2.202 10.658 -18.065 1.00 0.00 C ATOM 1537 CD PRO A 97 -2.444 10.986 -16.618 1.00 0.00 C ATOM 0 HA PRO A 97 -0.122 8.765 -16.338 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.607 9.559 -18.979 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.736 8.567 -18.078 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.807 11.522 -18.599 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.131 10.375 -18.560 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.635 12.049 -16.474 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.308 10.451 -16.224 1.00 0.00 H new ATOM 1545 N GLU A 98 0.908 11.664 -17.418 1.00 0.00 N ATOM 1546 CA GLU A 98 2.106 12.443 -17.666 1.00 0.00 C ATOM 1547 C GLU A 98 2.289 13.461 -16.553 1.00 0.00 C ATOM 1548 O GLU A 98 1.598 14.480 -16.524 1.00 0.00 O ATOM 1549 CB GLU A 98 2.014 13.176 -19.007 1.00 0.00 C ATOM 1550 CG GLU A 98 1.872 12.267 -20.213 1.00 0.00 C ATOM 1551 CD GLU A 98 1.664 13.055 -21.488 1.00 0.00 C ATOM 1552 OE1 GLU A 98 2.665 13.509 -22.086 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.497 13.243 -21.887 1.00 0.00 O ATOM 0 H GLU A 98 0.041 12.200 -17.468 1.00 0.00 H new ATOM 0 HA GLU A 98 2.957 11.763 -17.697 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.162 13.855 -18.978 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.906 13.789 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.764 11.648 -20.309 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.030 11.591 -20.062 1.00 0.00 H new ATOM 1560 N ILE A 99 3.175 13.175 -15.617 1.00 0.00 N ATOM 1561 CA ILE A 99 3.502 14.149 -14.593 1.00 0.00 C ATOM 1562 C ILE A 99 4.560 15.098 -15.130 1.00 0.00 C ATOM 1563 O ILE A 99 5.725 14.728 -15.283 1.00 0.00 O ATOM 1564 CB ILE A 99 3.988 13.489 -13.286 1.00 0.00 C ATOM 1565 CG1 ILE A 99 2.890 12.582 -12.721 1.00 0.00 C ATOM 1566 CG2 ILE A 99 4.386 14.551 -12.267 1.00 0.00 C ATOM 1567 CD1 ILE A 99 3.244 11.945 -11.394 1.00 0.00 C ATOM 0 H ILE A 99 3.675 12.289 -15.544 1.00 0.00 H new ATOM 0 HA ILE A 99 2.593 14.698 -14.348 1.00 0.00 H new ATOM 0 HB ILE A 99 4.867 12.882 -13.503 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.977 13.165 -12.601 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.674 11.796 -13.444 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.726 14.067 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.191 15.163 -12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.526 15.183 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.417 11.318 -11.059 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.139 11.334 -11.511 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.431 12.724 -10.655 1.00 0.00 H new ATOM 1579 N THR A 100 4.134 16.304 -15.453 1.00 0.00 N ATOM 1580 CA THR A 100 4.998 17.280 -16.078 1.00 0.00 C ATOM 1581 C THR A 100 5.568 18.264 -15.068 1.00 0.00 C ATOM 1582 O THR A 100 4.840 18.836 -14.253 1.00 0.00 O ATOM 1583 CB THR A 100 4.233 18.043 -17.171 1.00 0.00 C ATOM 1584 OG1 THR A 100 2.870 18.221 -16.764 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.286 17.292 -18.492 1.00 0.00 C ATOM 0 H THR A 100 3.182 16.632 -15.289 1.00 0.00 H new ATOM 0 HA THR A 100 5.832 16.738 -16.524 1.00 0.00 H new ATOM 0 HB THR A 100 4.703 19.016 -17.313 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.382 18.709 -17.460 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.738 17.851 -19.251 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.324 17.178 -18.804 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.834 16.308 -18.369 1.00 0.00 H new ATOM 1593 N ALA A 101 6.874 18.440 -15.122 1.00 0.00 N ATOM 1594 CA ALA A 101 7.556 19.419 -14.300 1.00 0.00 C ATOM 1595 C ALA A 101 8.324 20.370 -15.200 1.00 0.00 C ATOM 1596 O ALA A 101 9.178 19.945 -15.981 1.00 0.00 O ATOM 1597 CB ALA A 101 8.490 18.731 -13.318 1.00 0.00 C ATOM 0 H ALA A 101 7.491 17.909 -15.736 1.00 0.00 H new ATOM 0 HA ALA A 101 6.825 19.984 -13.721 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.994 19.481 -12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.915 18.067 -12.673 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.232 18.151 -13.867 1.00 0.00 H new ATOM 1603 N GLN A 102 8.011 21.650 -15.116 1.00 0.00 N ATOM 1604 CA GLN A 102 8.618 22.621 -16.002 1.00 0.00 C ATOM 1605 C GLN A 102 9.418 23.664 -15.239 1.00 0.00 C ATOM 1606 O GLN A 102 9.009 24.141 -14.181 1.00 0.00 O ATOM 1607 CB GLN A 102 7.558 23.289 -16.876 1.00 0.00 C ATOM 1608 CG GLN A 102 6.472 24.018 -16.106 1.00 0.00 C ATOM 1609 CD GLN A 102 5.410 24.578 -17.027 1.00 0.00 C ATOM 1610 OE1 GLN A 102 4.416 23.915 -17.321 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.608 25.803 -17.482 1.00 0.00 N ATOM 0 H GLN A 102 7.345 22.038 -14.448 1.00 0.00 H new ATOM 0 HA GLN A 102 9.315 22.083 -16.645 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.050 23.997 -17.543 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.092 22.529 -17.504 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.011 23.335 -15.393 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.917 24.829 -15.529 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.447 26.318 -17.213 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.922 26.234 -18.102 1.00 0.00 H new