USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.971 K(o=-0.97,f=-4.1) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.154 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -18:sc= -2.32! USER MOD Single : A 11 THR OG1 : rot 22:sc= 1.35 USER MOD Single : A 15 TYR OH : rot -150:sc= 1.25 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.723 K(o=-0.72,f=-3.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.999 USER MOD Single : A 32 HIS : no HE2:sc= -0.945 K(o=-0.94,f=-4.7!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.199 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -114:sc= 1.35 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 2.36 (180deg=1.83) USER MOD Single : A 49 ASN : amide:sc= -0.0668 K(o=-0.067,f=-0.77) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0559 (180deg=-0.229) USER MOD Single : A 58 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.73) USER MOD Single : A 64 SER OG : rot -131:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.545 -9.001 4.388 1.00 0.00 N ATOM 2 CA GLY A 1 -11.337 -8.759 2.964 1.00 0.00 C ATOM 3 C GLY A 1 -11.192 -7.291 2.707 1.00 0.00 C ATOM 4 O GLY A 1 -10.920 -6.530 3.635 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.829 -9.671 4.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.460 -8.105 4.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.494 -9.400 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.445 -9.285 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.177 -9.155 2.393 1.00 0.00 H new ATOM 10 N ALA A 2 -11.357 -6.875 1.477 1.00 0.00 N ATOM 11 CA ALA A 2 -11.309 -5.477 1.154 1.00 0.00 C ATOM 12 C ALA A 2 -12.725 -4.978 1.000 1.00 0.00 C ATOM 13 O ALA A 2 -13.392 -5.278 0.010 1.00 0.00 O ATOM 14 CB ALA A 2 -10.493 -5.218 -0.106 1.00 0.00 C ATOM 0 H ALA A 2 -11.526 -7.490 0.681 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.811 -4.936 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.480 -4.149 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.472 -5.571 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.942 -5.749 -0.946 1.00 0.00 H new ATOM 20 N MET A 3 -13.176 -4.226 1.984 1.00 0.00 N ATOM 21 CA MET A 3 -14.557 -3.721 2.053 1.00 0.00 C ATOM 22 C MET A 3 -14.802 -2.612 1.050 1.00 0.00 C ATOM 23 O MET A 3 -15.935 -2.165 0.843 1.00 0.00 O ATOM 24 CB MET A 3 -14.908 -3.239 3.477 1.00 0.00 C ATOM 25 CG MET A 3 -14.101 -2.031 3.969 1.00 0.00 C ATOM 26 SD MET A 3 -12.330 -2.363 4.128 1.00 0.00 S ATOM 27 CE MET A 3 -11.730 -0.737 4.575 1.00 0.00 C ATOM 0 H MET A 3 -12.597 -3.938 2.773 1.00 0.00 H new ATOM 0 HA MET A 3 -15.211 -4.555 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.968 -2.986 3.508 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.757 -4.065 4.172 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.246 -1.201 3.278 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.491 -1.713 4.936 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.649 -0.772 4.710 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.974 -0.029 3.783 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.201 -0.418 5.505 1.00 0.00 H new ATOM 37 N GLY A 4 -13.760 -2.191 0.448 1.00 0.00 N ATOM 38 CA GLY A 4 -13.808 -1.173 -0.529 1.00 0.00 C ATOM 39 C GLY A 4 -12.828 -1.471 -1.609 1.00 0.00 C ATOM 40 O GLY A 4 -11.801 -2.109 -1.355 1.00 0.00 O ATOM 0 H GLY A 4 -12.823 -2.553 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.813 -1.102 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.582 -0.208 -0.075 1.00 0.00 H new ATOM 44 N ALA A 5 -13.134 -1.061 -2.805 1.00 0.00 N ATOM 45 CA ALA A 5 -12.261 -1.294 -3.930 1.00 0.00 C ATOM 46 C ALA A 5 -11.747 0.022 -4.479 1.00 0.00 C ATOM 47 O ALA A 5 -11.124 0.066 -5.533 1.00 0.00 O ATOM 48 CB ALA A 5 -12.995 -2.078 -5.009 1.00 0.00 C ATOM 0 H ALA A 5 -13.991 -0.557 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.406 -1.882 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.327 -2.248 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.320 -3.037 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.864 -1.511 -5.343 1.00 0.00 H new ATOM 54 N LYS A 6 -11.976 1.085 -3.738 1.00 0.00 N ATOM 55 CA LYS A 6 -11.577 2.414 -4.162 1.00 0.00 C ATOM 56 C LYS A 6 -10.976 3.155 -2.981 1.00 0.00 C ATOM 57 O LYS A 6 -11.139 4.385 -2.812 1.00 0.00 O ATOM 58 CB LYS A 6 -12.787 3.170 -4.735 1.00 0.00 C ATOM 59 CG LYS A 6 -13.969 3.308 -3.779 1.00 0.00 C ATOM 60 CD LYS A 6 -15.118 4.081 -4.409 1.00 0.00 C ATOM 61 CE LYS A 6 -14.712 5.501 -4.775 1.00 0.00 C ATOM 62 NZ LYS A 6 -15.818 6.247 -5.401 1.00 0.00 N ATOM 0 H LYS A 6 -12.441 1.056 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.826 2.342 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.465 4.166 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -13.125 2.657 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.316 2.318 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.644 3.815 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.460 3.559 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.959 4.111 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.382 6.026 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.863 5.471 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.499 7.209 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.117 5.760 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.620 6.299 -4.740 1.00 0.00 H new ATOM 76 N GLU A 7 -10.257 2.418 -2.182 1.00 0.00 N ATOM 77 CA GLU A 7 -9.674 2.960 -0.993 1.00 0.00 C ATOM 78 C GLU A 7 -8.261 3.385 -1.304 1.00 0.00 C ATOM 79 O GLU A 7 -7.508 2.645 -1.945 1.00 0.00 O ATOM 80 CB GLU A 7 -9.669 1.922 0.153 1.00 0.00 C ATOM 81 CG GLU A 7 -10.974 1.144 0.312 1.00 0.00 C ATOM 82 CD GLU A 7 -12.198 2.012 0.205 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.422 2.878 1.073 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.930 1.882 -0.793 1.00 0.00 O ATOM 0 H GLU A 7 -10.061 1.429 -2.338 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.266 3.814 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.858 1.214 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.451 2.435 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.021 0.366 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.975 0.643 1.280 1.00 0.00 H new ATOM 91 N TYR A 8 -7.911 4.568 -0.926 1.00 0.00 N ATOM 92 CA TYR A 8 -6.571 5.019 -1.128 1.00 0.00 C ATOM 93 C TYR A 8 -5.910 5.188 0.199 1.00 0.00 C ATOM 94 O TYR A 8 -6.571 5.421 1.226 1.00 0.00 O ATOM 95 CB TYR A 8 -6.504 6.331 -1.917 1.00 0.00 C ATOM 96 CG TYR A 8 -7.137 6.271 -3.289 1.00 0.00 C ATOM 97 CD1 TYR A 8 -8.507 6.429 -3.458 1.00 0.00 C ATOM 98 CD2 TYR A 8 -6.361 6.047 -4.415 1.00 0.00 C ATOM 99 CE1 TYR A 8 -9.081 6.367 -4.705 1.00 0.00 C ATOM 100 CE2 TYR A 8 -6.931 5.983 -5.668 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.292 6.143 -5.804 1.00 0.00 C ATOM 102 OH TYR A 8 -8.867 6.067 -7.048 1.00 0.00 O ATOM 0 H TYR A 8 -8.531 5.241 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.051 4.267 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.995 7.114 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.459 6.622 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.132 6.604 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.294 5.921 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.147 6.494 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.315 5.809 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.172 5.905 -7.720 1.00 0.00 H new ATOM 112 N CYS A 9 -4.649 5.061 0.198 1.00 0.00 N ATOM 113 CA CYS A 9 -3.882 5.214 1.372 1.00 0.00 C ATOM 114 C CYS A 9 -2.691 6.082 1.075 1.00 0.00 C ATOM 115 O CYS A 9 -2.101 5.986 -0.005 1.00 0.00 O ATOM 116 CB CYS A 9 -3.476 3.836 1.921 1.00 0.00 C ATOM 117 SG CYS A 9 -2.767 2.717 0.690 1.00 0.00 S ATOM 0 H CYS A 9 -4.102 4.843 -0.635 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.472 5.705 2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.753 3.978 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.353 3.362 2.362 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.075 3.132 -0.503 1.00 0.00 H new ATOM 123 N ARG A 10 -2.381 6.968 1.970 1.00 0.00 N ATOM 124 CA ARG A 10 -1.228 7.790 1.807 1.00 0.00 C ATOM 125 C ARG A 10 -0.115 7.219 2.637 1.00 0.00 C ATOM 126 O ARG A 10 -0.336 6.763 3.751 1.00 0.00 O ATOM 127 CB ARG A 10 -1.470 9.265 2.182 1.00 0.00 C ATOM 128 CG ARG A 10 -0.191 10.090 2.071 1.00 0.00 C ATOM 129 CD ARG A 10 -0.348 11.529 2.479 1.00 0.00 C ATOM 130 NE ARG A 10 0.978 12.167 2.572 1.00 0.00 N ATOM 131 CZ ARG A 10 1.246 13.463 2.414 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.273 14.347 2.222 1.00 0.00 N ATOM 133 NH2 ARG A 10 2.500 13.873 2.513 1.00 0.00 N ATOM 0 H ARG A 10 -2.914 7.139 2.823 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.967 7.790 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.233 9.687 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.854 9.324 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.579 9.630 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.164 10.053 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.966 12.057 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.860 11.591 3.439 1.00 0.00 H new ATOM 0 HE ARG A 10 1.768 11.556 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.699 14.038 2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.498 15.335 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.242 13.201 2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.724 14.861 2.395 1.00 0.00 H new ATOM 147 N THR A 11 1.040 7.212 2.079 1.00 0.00 N ATOM 148 CA THR A 11 2.240 6.746 2.710 1.00 0.00 C ATOM 149 C THR A 11 2.574 7.614 3.933 1.00 0.00 C ATOM 150 O THR A 11 2.345 8.835 3.903 1.00 0.00 O ATOM 151 CB THR A 11 3.334 6.938 1.696 1.00 0.00 C ATOM 152 OG1 THR A 11 3.287 8.333 1.304 1.00 0.00 O ATOM 153 CG2 THR A 11 3.082 6.067 0.472 1.00 0.00 C ATOM 0 H THR A 11 1.191 7.544 1.127 1.00 0.00 H new ATOM 0 HA THR A 11 2.130 5.711 3.034 1.00 0.00 H new ATOM 0 HB THR A 11 4.302 6.663 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.845 8.855 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.882 6.217 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.055 5.019 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.128 6.341 0.021 1.00 0.00 H new ATOM 161 N LEU A 12 3.079 7.021 4.984 1.00 0.00 N ATOM 162 CA LEU A 12 3.508 7.804 6.133 1.00 0.00 C ATOM 163 C LEU A 12 5.014 7.720 6.290 1.00 0.00 C ATOM 164 O LEU A 12 5.642 8.578 6.913 1.00 0.00 O ATOM 165 CB LEU A 12 2.854 7.284 7.417 1.00 0.00 C ATOM 166 CG LEU A 12 1.332 7.319 7.488 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.859 6.698 8.794 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.826 8.745 7.371 1.00 0.00 C ATOM 0 H LEU A 12 3.206 6.013 5.076 1.00 0.00 H new ATOM 0 HA LEU A 12 3.207 8.838 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.175 6.253 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.244 7.864 8.253 1.00 0.00 H new ATOM 0 HG LEU A 12 0.930 6.742 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.230 6.727 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.197 5.663 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.270 7.259 9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.263 8.750 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.232 9.343 8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.145 9.167 6.418 1.00 0.00 H new ATOM 180 N PHE A 13 5.600 6.720 5.675 1.00 0.00 N ATOM 181 CA PHE A 13 7.012 6.436 5.847 1.00 0.00 C ATOM 182 C PHE A 13 7.547 5.823 4.577 1.00 0.00 C ATOM 183 O PHE A 13 6.802 5.156 3.863 1.00 0.00 O ATOM 184 CB PHE A 13 7.243 5.424 7.007 1.00 0.00 C ATOM 185 CG PHE A 13 6.724 5.854 8.356 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.401 6.797 9.104 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.551 5.322 8.864 1.00 0.00 C ATOM 188 CE1 PHE A 13 6.922 7.200 10.334 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.066 5.722 10.091 1.00 0.00 C ATOM 190 CZ PHE A 13 5.753 6.663 10.829 1.00 0.00 C ATOM 0 H PHE A 13 5.117 6.081 5.043 1.00 0.00 H new ATOM 0 HA PHE A 13 7.523 7.370 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.771 4.478 6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.313 5.234 7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.316 7.224 8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.009 4.584 8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.463 7.937 10.909 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.149 5.299 10.474 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.377 6.978 11.791 1.00 0.00 H new ATOM 200 N PRO A 14 8.818 6.077 4.245 1.00 0.00 N ATOM 201 CA PRO A 14 9.464 5.430 3.116 1.00 0.00 C ATOM 202 C PRO A 14 9.776 3.964 3.443 1.00 0.00 C ATOM 203 O PRO A 14 10.466 3.650 4.441 1.00 0.00 O ATOM 204 CB PRO A 14 10.751 6.233 2.913 1.00 0.00 C ATOM 205 CG PRO A 14 11.039 6.846 4.238 1.00 0.00 C ATOM 206 CD PRO A 14 9.710 7.043 4.920 1.00 0.00 C ATOM 0 HA PRO A 14 8.839 5.415 2.223 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.570 5.590 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.623 6.996 2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.687 6.200 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.559 7.797 4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.777 6.845 5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.350 8.066 4.807 1.00 0.00 H new ATOM 214 N TYR A 15 9.280 3.087 2.629 1.00 0.00 N ATOM 215 CA TYR A 15 9.407 1.665 2.828 1.00 0.00 C ATOM 216 C TYR A 15 9.911 1.056 1.541 1.00 0.00 C ATOM 217 O TYR A 15 9.431 1.405 0.474 1.00 0.00 O ATOM 218 CB TYR A 15 8.027 1.105 3.211 1.00 0.00 C ATOM 219 CG TYR A 15 7.933 -0.392 3.451 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.162 -0.927 4.707 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.577 -1.262 2.425 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.048 -2.281 4.938 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.453 -2.618 2.648 1.00 0.00 C ATOM 224 CZ TYR A 15 7.692 -3.122 3.904 1.00 0.00 C ATOM 225 OH TYR A 15 7.560 -4.474 4.141 1.00 0.00 O ATOM 0 H TYR A 15 8.763 3.338 1.787 1.00 0.00 H new ATOM 0 HA TYR A 15 10.110 1.429 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.694 1.615 4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.324 1.366 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.435 -0.271 5.521 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.394 -0.869 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.236 -2.681 5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.170 -3.278 1.842 1.00 0.00 H new ATOM 0 HH TYR A 15 7.780 -4.972 3.326 1.00 0.00 H new ATOM 235 N THR A 16 10.881 0.194 1.632 1.00 0.00 N ATOM 236 CA THR A 16 11.442 -0.425 0.466 1.00 0.00 C ATOM 237 C THR A 16 11.201 -1.921 0.490 1.00 0.00 C ATOM 238 O THR A 16 11.420 -2.584 1.511 1.00 0.00 O ATOM 239 CB THR A 16 12.953 -0.115 0.353 1.00 0.00 C ATOM 240 OG1 THR A 16 13.133 1.308 0.384 1.00 0.00 O ATOM 241 CG2 THR A 16 13.543 -0.663 -0.946 1.00 0.00 C ATOM 0 H THR A 16 11.304 -0.099 2.512 1.00 0.00 H new ATOM 0 HA THR A 16 10.946 -0.012 -0.412 1.00 0.00 H new ATOM 0 HB THR A 16 13.467 -0.593 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.088 1.519 0.315 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.606 -0.426 -0.991 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.410 -1.744 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.034 -0.209 -1.797 1.00 0.00 H new ATOM 249 N GLY A 17 10.727 -2.436 -0.606 1.00 0.00 N ATOM 250 CA GLY A 17 10.491 -3.824 -0.722 1.00 0.00 C ATOM 251 C GLY A 17 11.639 -4.495 -1.399 1.00 0.00 C ATOM 252 O GLY A 17 12.133 -3.998 -2.412 1.00 0.00 O ATOM 0 H GLY A 17 10.496 -1.895 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.341 -4.257 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.576 -3.997 -1.288 1.00 0.00 H new ATOM 256 N THR A 18 12.076 -5.607 -0.866 1.00 0.00 N ATOM 257 CA THR A 18 13.198 -6.308 -1.453 1.00 0.00 C ATOM 258 C THR A 18 12.647 -7.294 -2.439 1.00 0.00 C ATOM 259 O THR A 18 13.211 -7.546 -3.497 1.00 0.00 O ATOM 260 CB THR A 18 14.051 -7.036 -0.382 1.00 0.00 C ATOM 261 OG1 THR A 18 13.219 -7.910 0.405 1.00 0.00 O ATOM 262 CG2 THR A 18 14.742 -6.035 0.532 1.00 0.00 C ATOM 0 H THR A 18 11.680 -6.046 -0.035 1.00 0.00 H new ATOM 0 HA THR A 18 13.858 -5.592 -1.942 1.00 0.00 H new ATOM 0 HB THR A 18 14.811 -7.624 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.767 -8.366 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.334 -6.569 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.395 -5.393 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.993 -5.425 1.036 1.00 0.00 H new ATOM 270 N ASN A 19 11.509 -7.808 -2.074 1.00 0.00 N ATOM 271 CA ASN A 19 10.751 -8.724 -2.859 1.00 0.00 C ATOM 272 C ASN A 19 10.004 -7.953 -3.912 1.00 0.00 C ATOM 273 O ASN A 19 9.587 -6.820 -3.675 1.00 0.00 O ATOM 274 CB ASN A 19 9.798 -9.462 -1.918 1.00 0.00 C ATOM 275 CG ASN A 19 8.676 -10.243 -2.567 1.00 0.00 C ATOM 276 OD1 ASN A 19 8.790 -10.762 -3.675 1.00 0.00 O ATOM 277 ND2 ASN A 19 7.571 -10.300 -1.878 1.00 0.00 N ATOM 0 H ASN A 19 11.069 -7.587 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 19 11.387 -9.452 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.385 -10.150 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.357 -8.733 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.759 -10.789 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.518 -9.856 -0.961 1.00 0.00 H new ATOM 284 N GLU A 20 9.847 -8.560 -5.059 1.00 0.00 N ATOM 285 CA GLU A 20 9.166 -7.958 -6.183 1.00 0.00 C ATOM 286 C GLU A 20 7.710 -7.672 -5.838 1.00 0.00 C ATOM 287 O GLU A 20 7.142 -6.665 -6.253 1.00 0.00 O ATOM 288 CB GLU A 20 9.224 -8.887 -7.384 1.00 0.00 C ATOM 289 CG GLU A 20 8.559 -8.314 -8.603 1.00 0.00 C ATOM 290 CD GLU A 20 8.511 -9.265 -9.748 1.00 0.00 C ATOM 291 OE1 GLU A 20 9.481 -9.325 -10.520 1.00 0.00 O ATOM 292 OE2 GLU A 20 7.486 -9.962 -9.900 1.00 0.00 O ATOM 0 H GLU A 20 10.193 -9.501 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 20 9.665 -7.019 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.266 -9.108 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.747 -9.833 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.543 -8.013 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.091 -7.413 -8.909 1.00 0.00 H new ATOM 299 N ASP A 21 7.121 -8.554 -5.058 1.00 0.00 N ATOM 300 CA ASP A 21 5.719 -8.419 -4.681 1.00 0.00 C ATOM 301 C ASP A 21 5.588 -7.532 -3.441 1.00 0.00 C ATOM 302 O ASP A 21 4.523 -7.331 -2.919 1.00 0.00 O ATOM 303 CB ASP A 21 5.075 -9.805 -4.457 1.00 0.00 C ATOM 304 CG ASP A 21 3.564 -9.746 -4.268 1.00 0.00 C ATOM 305 OD1 ASP A 21 2.846 -9.430 -5.235 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.068 -10.020 -3.162 1.00 0.00 O ATOM 0 H ASP A 21 7.587 -9.374 -4.670 1.00 0.00 H new ATOM 0 HA ASP A 21 5.181 -7.938 -5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.303 -10.445 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.526 -10.270 -3.580 1.00 0.00 H new ATOM 311 N GLU A 22 6.686 -6.979 -3.001 1.00 0.00 N ATOM 312 CA GLU A 22 6.699 -6.081 -1.874 1.00 0.00 C ATOM 313 C GLU A 22 6.859 -4.669 -2.446 1.00 0.00 C ATOM 314 O GLU A 22 7.678 -4.454 -3.346 1.00 0.00 O ATOM 315 CB GLU A 22 7.838 -6.473 -0.927 1.00 0.00 C ATOM 316 CG GLU A 22 7.905 -5.700 0.373 1.00 0.00 C ATOM 317 CD GLU A 22 9.040 -6.170 1.259 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.056 -6.715 0.740 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.952 -6.016 2.490 1.00 0.00 O ATOM 0 H GLU A 22 7.604 -7.139 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 22 5.782 -6.128 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.743 -7.533 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.784 -6.346 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.030 -4.639 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.961 -5.807 0.907 1.00 0.00 H new ATOM 326 N LEU A 23 6.082 -3.735 -1.961 1.00 0.00 N ATOM 327 CA LEU A 23 6.007 -2.412 -2.576 1.00 0.00 C ATOM 328 C LEU A 23 7.022 -1.443 -1.955 1.00 0.00 C ATOM 329 O LEU A 23 7.183 -1.397 -0.735 1.00 0.00 O ATOM 330 CB LEU A 23 4.575 -1.853 -2.398 1.00 0.00 C ATOM 331 CG LEU A 23 3.940 -1.094 -3.591 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.549 -0.615 -3.225 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.788 0.080 -4.054 1.00 0.00 C ATOM 0 H LEU A 23 5.487 -3.855 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 23 6.246 -2.510 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.920 -2.686 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.582 -1.181 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 23 3.881 -1.797 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.113 -0.083 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.924 -1.472 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.609 0.055 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.297 0.576 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.909 0.787 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.767 -0.280 -4.370 1.00 0.00 H new ATOM 345 N THR A 24 7.705 -0.695 -2.801 1.00 0.00 N ATOM 346 CA THR A 24 8.597 0.345 -2.348 1.00 0.00 C ATOM 347 C THR A 24 7.910 1.710 -2.547 1.00 0.00 C ATOM 348 O THR A 24 7.521 2.062 -3.665 1.00 0.00 O ATOM 349 CB THR A 24 9.916 0.293 -3.148 1.00 0.00 C ATOM 350 OG1 THR A 24 10.541 -0.989 -2.954 1.00 0.00 O ATOM 351 CG2 THR A 24 10.875 1.407 -2.741 1.00 0.00 C ATOM 0 H THR A 24 7.655 -0.793 -3.815 1.00 0.00 H new ATOM 0 HA THR A 24 8.827 0.201 -1.292 1.00 0.00 H new ATOM 0 HB THR A 24 9.677 0.438 -4.202 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.378 -1.025 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.790 1.332 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.406 2.374 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.115 1.311 -1.682 1.00 0.00 H new ATOM 359 N PHE A 25 7.726 2.430 -1.470 1.00 0.00 N ATOM 360 CA PHE A 25 7.075 3.720 -1.507 1.00 0.00 C ATOM 361 C PHE A 25 7.809 4.767 -0.682 1.00 0.00 C ATOM 362 O PHE A 25 8.533 4.430 0.262 1.00 0.00 O ATOM 363 CB PHE A 25 5.592 3.613 -1.109 1.00 0.00 C ATOM 364 CG PHE A 25 5.290 2.886 0.177 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.241 3.557 1.386 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.021 1.532 0.160 1.00 0.00 C ATOM 367 CE1 PHE A 25 4.931 2.888 2.550 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.708 0.862 1.316 1.00 0.00 C ATOM 369 CZ PHE A 25 4.663 1.536 2.513 1.00 0.00 C ATOM 0 H PHE A 25 8.023 2.140 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 25 7.113 4.063 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.186 4.622 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.057 3.113 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.448 4.617 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.057 0.993 -0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.898 3.421 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.497 -0.197 1.285 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.418 1.008 3.423 1.00 0.00 H new ATOM 379 N ARG A 26 7.634 6.017 -1.044 1.00 0.00 N ATOM 380 CA ARG A 26 8.196 7.138 -0.308 1.00 0.00 C ATOM 381 C ARG A 26 7.092 7.795 0.458 1.00 0.00 C ATOM 382 O ARG A 26 5.969 7.341 0.417 1.00 0.00 O ATOM 383 CB ARG A 26 8.741 8.169 -1.259 1.00 0.00 C ATOM 384 CG ARG A 26 9.854 7.703 -2.127 1.00 0.00 C ATOM 385 CD ARG A 26 10.126 8.735 -3.181 1.00 0.00 C ATOM 386 NE ARG A 26 8.980 8.887 -4.092 1.00 0.00 N ATOM 387 CZ ARG A 26 8.807 9.885 -4.958 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.653 10.916 -4.972 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.761 9.866 -5.782 1.00 0.00 N ATOM 0 H ARG A 26 7.094 6.292 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 26 8.989 6.770 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.928 8.520 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.086 9.026 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.749 7.532 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.594 6.752 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.346 9.692 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.011 8.451 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 26 8.257 8.168 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.436 10.942 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.517 11.678 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.099 9.091 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.622 10.626 -6.447 1.00 0.00 H new ATOM 403 N GLU A 27 7.397 8.867 1.130 1.00 0.00 N ATOM 404 CA GLU A 27 6.376 9.600 1.828 1.00 0.00 C ATOM 405 C GLU A 27 5.871 10.686 0.899 1.00 0.00 C ATOM 406 O GLU A 27 6.659 11.509 0.389 1.00 0.00 O ATOM 407 CB GLU A 27 6.902 10.201 3.148 1.00 0.00 C ATOM 408 CG GLU A 27 5.823 10.654 4.167 1.00 0.00 C ATOM 409 CD GLU A 27 4.916 11.786 3.710 1.00 0.00 C ATOM 410 OE1 GLU A 27 5.332 12.957 3.743 1.00 0.00 O ATOM 411 OE2 GLU A 27 3.753 11.529 3.334 1.00 0.00 O ATOM 0 H GLU A 27 8.338 9.253 1.211 1.00 0.00 H new ATOM 0 HA GLU A 27 5.564 8.926 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.542 9.462 3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.530 11.059 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.202 9.794 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.324 10.962 5.085 1.00 0.00 H new ATOM 418 N GLY A 28 4.600 10.663 0.659 1.00 0.00 N ATOM 419 CA GLY A 28 3.971 11.681 -0.141 1.00 0.00 C ATOM 420 C GLY A 28 3.301 11.115 -1.354 1.00 0.00 C ATOM 421 O GLY A 28 2.853 11.858 -2.224 1.00 0.00 O ATOM 0 H GLY A 28 3.965 9.945 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.236 12.212 0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.719 12.412 -0.449 1.00 0.00 H new ATOM 425 N GLU A 29 3.224 9.809 -1.423 1.00 0.00 N ATOM 426 CA GLU A 29 2.629 9.158 -2.558 1.00 0.00 C ATOM 427 C GLU A 29 1.302 8.513 -2.156 1.00 0.00 C ATOM 428 O GLU A 29 1.078 8.203 -0.970 1.00 0.00 O ATOM 429 CB GLU A 29 3.609 8.141 -3.152 1.00 0.00 C ATOM 430 CG GLU A 29 4.934 8.772 -3.579 1.00 0.00 C ATOM 431 CD GLU A 29 5.920 7.802 -4.193 1.00 0.00 C ATOM 432 OE1 GLU A 29 6.639 7.106 -3.448 1.00 0.00 O ATOM 433 OE2 GLU A 29 6.055 7.778 -5.447 1.00 0.00 O ATOM 0 H GLU A 29 3.568 9.175 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 29 2.413 9.894 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.804 7.360 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.147 7.659 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.729 9.566 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.396 9.240 -2.710 1.00 0.00 H new ATOM 440 N ILE A 30 0.417 8.349 -3.115 1.00 0.00 N ATOM 441 CA ILE A 30 -0.899 7.802 -2.858 1.00 0.00 C ATOM 442 C ILE A 30 -0.990 6.395 -3.424 1.00 0.00 C ATOM 443 O ILE A 30 -0.804 6.177 -4.626 1.00 0.00 O ATOM 444 CB ILE A 30 -2.018 8.696 -3.480 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.927 10.142 -2.947 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.407 8.116 -3.213 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.070 10.271 -1.439 1.00 0.00 C ATOM 0 H ILE A 30 0.587 8.590 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.049 7.774 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.862 8.714 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.968 10.565 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.702 10.741 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.163 8.762 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.476 7.120 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.574 8.051 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.993 11.320 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.040 9.882 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.279 9.704 -0.949 1.00 0.00 H new ATOM 459 N ILE A 31 -1.297 5.458 -2.577 1.00 0.00 N ATOM 460 CA ILE A 31 -1.352 4.076 -2.965 1.00 0.00 C ATOM 461 C ILE A 31 -2.802 3.668 -3.052 1.00 0.00 C ATOM 462 O ILE A 31 -3.582 3.935 -2.125 1.00 0.00 O ATOM 463 CB ILE A 31 -0.637 3.157 -1.928 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.806 3.616 -1.684 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.658 1.700 -2.396 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.542 2.807 -0.631 1.00 0.00 C ATOM 0 H ILE A 31 -1.517 5.628 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.845 3.964 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.181 3.230 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.358 3.559 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.797 4.663 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.154 1.074 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.690 1.369 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.144 1.618 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.555 3.194 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.015 2.883 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.585 1.762 -0.939 1.00 0.00 H new ATOM 478 N HIS A 32 -3.179 3.058 -4.137 1.00 0.00 N ATOM 479 CA HIS A 32 -4.525 2.585 -4.279 1.00 0.00 C ATOM 480 C HIS A 32 -4.578 1.170 -3.747 1.00 0.00 C ATOM 481 O HIS A 32 -3.757 0.330 -4.135 1.00 0.00 O ATOM 482 CB HIS A 32 -4.981 2.642 -5.746 1.00 0.00 C ATOM 483 CG HIS A 32 -6.413 2.231 -5.955 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.841 1.407 -6.963 1.00 0.00 N ATOM 485 CD2 HIS A 32 -7.526 2.575 -5.261 1.00 0.00 C ATOM 486 CE1 HIS A 32 -8.160 1.273 -6.858 1.00 0.00 C ATOM 487 NE2 HIS A 32 -8.627 1.967 -5.834 1.00 0.00 N ATOM 0 H HIS A 32 -2.573 2.876 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.206 3.222 -3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.846 3.657 -6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.337 1.995 -6.342 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -6.250 0.972 -7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.549 3.222 -4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.769 0.676 -7.521 1.00 0.00 H new ATOM 495 N LEU A 33 -5.501 0.927 -2.851 1.00 0.00 N ATOM 496 CA LEU A 33 -5.650 -0.354 -2.214 1.00 0.00 C ATOM 497 C LEU A 33 -6.239 -1.335 -3.215 1.00 0.00 C ATOM 498 O LEU A 33 -7.312 -1.106 -3.787 1.00 0.00 O ATOM 499 CB LEU A 33 -6.537 -0.190 -0.950 1.00 0.00 C ATOM 500 CG LEU A 33 -6.635 -1.360 0.058 1.00 0.00 C ATOM 501 CD1 LEU A 33 -7.295 -0.861 1.329 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.446 -2.524 -0.496 1.00 0.00 C ATOM 0 H LEU A 33 -6.178 1.624 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.687 -0.749 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.176 0.683 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.548 0.040 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.625 -1.718 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.369 -1.679 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.698 -0.056 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.293 -0.489 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.489 -3.323 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.457 -2.187 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.973 -2.897 -1.405 1.00 0.00 H new ATOM 514 N ILE A 34 -5.518 -2.395 -3.447 1.00 0.00 N ATOM 515 CA ILE A 34 -5.928 -3.419 -4.369 1.00 0.00 C ATOM 516 C ILE A 34 -6.515 -4.600 -3.596 1.00 0.00 C ATOM 517 O ILE A 34 -7.533 -5.177 -3.994 1.00 0.00 O ATOM 518 CB ILE A 34 -4.722 -3.882 -5.258 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.165 -2.705 -6.090 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.084 -5.060 -6.165 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.176 -2.048 -7.015 1.00 0.00 C ATOM 0 H ILE A 34 -4.620 -2.576 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.693 -3.013 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.944 -4.228 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.772 -1.950 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.326 -3.064 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.215 -5.342 -6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.396 -5.907 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.899 -4.771 -6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.697 -1.233 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.553 -2.785 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.005 -1.654 -6.427 1.00 0.00 H new ATOM 533 N SER A 35 -5.889 -4.957 -2.488 1.00 0.00 N ATOM 534 CA SER A 35 -6.351 -6.075 -1.685 1.00 0.00 C ATOM 535 C SER A 35 -5.982 -5.896 -0.204 1.00 0.00 C ATOM 536 O SER A 35 -4.895 -5.416 0.117 1.00 0.00 O ATOM 537 CB SER A 35 -5.733 -7.378 -2.207 1.00 0.00 C ATOM 538 OG SER A 35 -6.009 -7.571 -3.595 1.00 0.00 O ATOM 0 H SER A 35 -5.059 -4.489 -2.124 1.00 0.00 H new ATOM 0 HA SER A 35 -7.437 -6.117 -1.764 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.655 -7.359 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.124 -8.221 -1.637 1.00 0.00 H new ATOM 0 HG SER A 35 -5.600 -8.409 -3.896 1.00 0.00 H new ATOM 544 N LYS A 36 -6.903 -6.253 0.675 1.00 0.00 N ATOM 545 CA LYS A 36 -6.665 -6.255 2.119 1.00 0.00 C ATOM 546 C LYS A 36 -6.450 -7.670 2.616 1.00 0.00 C ATOM 547 O LYS A 36 -6.000 -7.883 3.742 1.00 0.00 O ATOM 548 CB LYS A 36 -7.829 -5.624 2.885 1.00 0.00 C ATOM 549 CG LYS A 36 -7.702 -4.132 3.123 1.00 0.00 C ATOM 550 CD LYS A 36 -8.958 -3.531 3.766 1.00 0.00 C ATOM 551 CE LYS A 36 -9.366 -4.215 5.082 1.00 0.00 C ATOM 552 NZ LYS A 36 -8.356 -4.078 6.143 1.00 0.00 N ATOM 0 H LYS A 36 -7.842 -6.552 0.412 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.770 -5.660 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.751 -5.812 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.924 -6.124 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.842 -3.942 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.508 -3.631 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.787 -2.471 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.785 -3.599 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.308 -3.789 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.545 -5.274 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.828 -3.872 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.819 -4.964 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.707 -3.301 5.906 1.00 0.00 H new ATOM 566 N GLU A 37 -6.791 -8.623 1.793 1.00 0.00 N ATOM 567 CA GLU A 37 -6.640 -9.998 2.142 1.00 0.00 C ATOM 568 C GLU A 37 -5.534 -10.613 1.301 1.00 0.00 C ATOM 569 O GLU A 37 -5.719 -10.961 0.127 1.00 0.00 O ATOM 570 CB GLU A 37 -7.979 -10.733 2.001 1.00 0.00 C ATOM 571 CG GLU A 37 -7.943 -12.191 2.399 1.00 0.00 C ATOM 572 CD GLU A 37 -7.337 -12.405 3.760 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.980 -12.091 4.782 1.00 0.00 O ATOM 574 OE2 GLU A 37 -6.193 -12.880 3.824 1.00 0.00 O ATOM 0 H GLU A 37 -7.180 -8.463 0.864 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.345 -10.092 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.725 -10.222 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.310 -10.661 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.957 -12.591 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.372 -12.752 1.659 1.00 0.00 H new ATOM 581 N THR A 38 -4.379 -10.674 1.883 1.00 0.00 N ATOM 582 CA THR A 38 -3.205 -11.168 1.227 1.00 0.00 C ATOM 583 C THR A 38 -2.849 -12.551 1.720 1.00 0.00 C ATOM 584 O THR A 38 -1.880 -13.153 1.283 1.00 0.00 O ATOM 585 CB THR A 38 -2.052 -10.218 1.528 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.062 -9.932 2.942 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.187 -8.925 0.733 1.00 0.00 C ATOM 0 H THR A 38 -4.220 -10.377 2.846 1.00 0.00 H new ATOM 0 HA THR A 38 -3.394 -11.226 0.155 1.00 0.00 H new ATOM 0 HB THR A 38 -1.111 -10.686 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.270 -8.985 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.351 -8.265 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.183 -9.151 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.123 -8.432 0.996 1.00 0.00 H new ATOM 595 N GLY A 39 -3.645 -13.051 2.619 1.00 0.00 N ATOM 596 CA GLY A 39 -3.354 -14.299 3.257 1.00 0.00 C ATOM 597 C GLY A 39 -2.955 -14.046 4.675 1.00 0.00 C ATOM 598 O GLY A 39 -3.151 -14.885 5.555 1.00 0.00 O ATOM 0 H GLY A 39 -4.510 -12.607 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.227 -14.950 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.552 -14.813 2.727 1.00 0.00 H new ATOM 602 N GLU A 40 -2.443 -12.860 4.901 1.00 0.00 N ATOM 603 CA GLU A 40 -1.997 -12.441 6.192 1.00 0.00 C ATOM 604 C GLU A 40 -2.821 -11.246 6.653 1.00 0.00 C ATOM 605 O GLU A 40 -3.671 -10.733 5.906 1.00 0.00 O ATOM 606 CB GLU A 40 -0.505 -12.090 6.139 1.00 0.00 C ATOM 607 CG GLU A 40 0.365 -13.251 5.683 1.00 0.00 C ATOM 608 CD GLU A 40 1.830 -12.928 5.672 1.00 0.00 C ATOM 609 OE1 GLU A 40 2.340 -12.432 4.642 1.00 0.00 O ATOM 610 OE2 GLU A 40 2.516 -13.206 6.676 1.00 0.00 O ATOM 0 H GLU A 40 -2.326 -12.153 4.175 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.132 -13.252 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.360 -11.248 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.179 -11.766 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.193 -14.104 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.059 -13.553 4.681 1.00 0.00 H new ATOM 617 N ALA A 41 -2.593 -10.823 7.866 1.00 0.00 N ATOM 618 CA ALA A 41 -3.277 -9.682 8.422 1.00 0.00 C ATOM 619 C ALA A 41 -2.327 -8.514 8.460 1.00 0.00 C ATOM 620 O ALA A 41 -1.136 -8.701 8.700 1.00 0.00 O ATOM 621 CB ALA A 41 -3.767 -9.996 9.818 1.00 0.00 C ATOM 0 H ALA A 41 -1.925 -11.260 8.501 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.139 -9.436 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.282 -9.127 10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.455 -10.841 9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.918 -10.247 10.454 1.00 0.00 H new ATOM 627 N GLY A 42 -2.819 -7.333 8.169 1.00 0.00 N ATOM 628 CA GLY A 42 -1.976 -6.151 8.205 1.00 0.00 C ATOM 629 C GLY A 42 -1.287 -5.893 6.882 1.00 0.00 C ATOM 630 O GLY A 42 -1.010 -4.756 6.535 1.00 0.00 O ATOM 0 H GLY A 42 -3.789 -7.161 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.581 -5.284 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.225 -6.267 8.986 1.00 0.00 H new ATOM 634 N TRP A 43 -1.010 -6.948 6.152 1.00 0.00 N ATOM 635 CA TRP A 43 -0.387 -6.836 4.864 1.00 0.00 C ATOM 636 C TRP A 43 -1.413 -6.515 3.820 1.00 0.00 C ATOM 637 O TRP A 43 -2.327 -7.307 3.556 1.00 0.00 O ATOM 638 CB TRP A 43 0.381 -8.110 4.490 1.00 0.00 C ATOM 639 CG TRP A 43 1.621 -8.317 5.297 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.727 -8.933 6.504 1.00 0.00 C ATOM 641 CD2 TRP A 43 2.940 -7.898 4.941 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.031 -8.914 6.928 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.797 -8.285 5.985 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.477 -7.229 3.841 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.163 -8.027 5.961 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.831 -6.973 3.817 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.658 -7.371 4.871 1.00 0.00 C ATOM 0 H TRP A 43 -1.212 -7.906 6.439 1.00 0.00 H new ATOM 0 HA TRP A 43 0.337 -6.023 4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.275 -8.971 4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.647 -8.067 3.434 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.905 -9.373 7.049 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.374 -9.306 7.805 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.844 -6.918 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.807 -8.333 6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.260 -6.457 2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.715 -7.154 4.822 1.00 0.00 H new ATOM 658 N TRP A 44 -1.278 -5.366 3.252 1.00 0.00 N ATOM 659 CA TRP A 44 -2.155 -4.909 2.226 1.00 0.00 C ATOM 660 C TRP A 44 -1.425 -4.921 0.926 1.00 0.00 C ATOM 661 O TRP A 44 -0.202 -4.844 0.895 1.00 0.00 O ATOM 662 CB TRP A 44 -2.642 -3.482 2.503 1.00 0.00 C ATOM 663 CG TRP A 44 -3.611 -3.344 3.635 1.00 0.00 C ATOM 664 CD1 TRP A 44 -4.037 -4.319 4.488 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.289 -2.149 4.022 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.938 -3.805 5.377 1.00 0.00 N ATOM 667 CE2 TRP A 44 -5.112 -2.473 5.111 1.00 0.00 C ATOM 668 CE3 TRP A 44 -4.279 -0.830 3.549 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.918 -1.534 5.735 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -5.080 0.101 4.173 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.891 -0.258 5.253 1.00 0.00 C ATOM 0 H TRP A 44 -0.540 -4.704 3.492 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.021 -5.571 2.194 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.775 -2.854 2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.109 -3.093 1.598 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.710 -5.348 4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.405 -4.328 6.118 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.656 -0.549 2.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.545 -1.803 6.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.081 1.123 3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.512 0.494 5.718 1.00 0.00 H new ATOM 682 N LYS A 45 -2.153 -5.043 -0.127 1.00 0.00 N ATOM 683 CA LYS A 45 -1.593 -4.988 -1.434 1.00 0.00 C ATOM 684 C LYS A 45 -2.163 -3.790 -2.132 1.00 0.00 C ATOM 685 O LYS A 45 -3.382 -3.590 -2.148 1.00 0.00 O ATOM 686 CB LYS A 45 -1.873 -6.284 -2.228 1.00 0.00 C ATOM 687 CG LYS A 45 -1.519 -6.214 -3.721 1.00 0.00 C ATOM 688 CD LYS A 45 -1.731 -7.551 -4.428 1.00 0.00 C ATOM 689 CE LYS A 45 -0.563 -8.515 -4.216 1.00 0.00 C ATOM 690 NZ LYS A 45 0.659 -8.038 -4.906 1.00 0.00 N ATOM 0 H LYS A 45 -3.163 -5.185 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.509 -4.899 -1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.311 -7.100 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.930 -6.532 -2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.130 -5.450 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.479 -5.907 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.649 -8.011 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.866 -7.377 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.364 -8.620 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.832 -9.503 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.301 -8.840 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.399 -7.611 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.136 -7.328 -4.315 1.00 0.00 H new ATOM 704 N GLY A 46 -1.310 -3.011 -2.682 1.00 0.00 N ATOM 705 CA GLY A 46 -1.710 -1.843 -3.369 1.00 0.00 C ATOM 706 C GLY A 46 -0.825 -1.628 -4.540 1.00 0.00 C ATOM 707 O GLY A 46 0.123 -2.398 -4.739 1.00 0.00 O ATOM 0 H GLY A 46 -0.302 -3.168 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.746 -1.937 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.663 -0.982 -2.702 1.00 0.00 H new ATOM 711 N GLU A 47 -1.106 -0.631 -5.316 1.00 0.00 N ATOM 712 CA GLU A 47 -0.278 -0.325 -6.446 1.00 0.00 C ATOM 713 C GLU A 47 0.215 1.095 -6.340 1.00 0.00 C ATOM 714 O GLU A 47 -0.556 2.010 -5.997 1.00 0.00 O ATOM 715 CB GLU A 47 -1.020 -0.541 -7.777 1.00 0.00 C ATOM 716 CG GLU A 47 -0.134 -0.323 -9.003 1.00 0.00 C ATOM 717 CD GLU A 47 -0.865 -0.469 -10.303 1.00 0.00 C ATOM 718 OE1 GLU A 47 -1.436 0.523 -10.786 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.863 -1.575 -10.883 1.00 0.00 O ATOM 0 H GLU A 47 -1.905 -0.010 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 47 0.572 -1.008 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.420 -1.554 -7.802 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.870 0.139 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.304 0.674 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.690 -1.036 -8.977 1.00 0.00 H new ATOM 726 N LEU A 48 1.486 1.274 -6.575 1.00 0.00 N ATOM 727 CA LEU A 48 2.092 2.569 -6.598 1.00 0.00 C ATOM 728 C LEU A 48 3.258 2.560 -7.553 1.00 0.00 C ATOM 729 O LEU A 48 3.972 1.555 -7.668 1.00 0.00 O ATOM 730 CB LEU A 48 2.557 3.019 -5.215 1.00 0.00 C ATOM 731 CG LEU A 48 3.207 4.405 -5.174 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.213 5.499 -5.523 1.00 0.00 C ATOM 733 CD2 LEU A 48 3.850 4.659 -3.842 1.00 0.00 C ATOM 0 H LEU A 48 2.136 0.510 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 48 1.337 3.281 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.701 3.015 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.269 2.288 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 48 3.989 4.424 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.710 6.468 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.825 5.331 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.390 5.484 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.304 5.650 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.095 4.604 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.618 3.908 -3.660 1.00 0.00 H new ATOM 745 N ASN A 49 3.387 3.645 -8.301 1.00 0.00 N ATOM 746 CA ASN A 49 4.486 3.885 -9.250 1.00 0.00 C ATOM 747 C ASN A 49 4.419 2.926 -10.429 1.00 0.00 C ATOM 748 O ASN A 49 5.336 2.855 -11.238 1.00 0.00 O ATOM 749 CB ASN A 49 5.879 3.811 -8.571 1.00 0.00 C ATOM 750 CG ASN A 49 6.090 4.783 -7.404 1.00 0.00 C ATOM 751 OD1 ASN A 49 6.848 4.489 -6.488 1.00 0.00 O ATOM 752 ND2 ASN A 49 5.447 5.937 -7.426 1.00 0.00 N ATOM 0 H ASN A 49 2.715 4.411 -8.270 1.00 0.00 H new ATOM 0 HA ASN A 49 4.357 4.902 -9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.035 2.795 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.643 4.002 -9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.576 6.607 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.821 6.157 -8.201 1.00 0.00 H new ATOM 759 N GLY A 50 3.319 2.209 -10.520 1.00 0.00 N ATOM 760 CA GLY A 50 3.114 1.265 -11.582 1.00 0.00 C ATOM 761 C GLY A 50 3.337 -0.159 -11.131 1.00 0.00 C ATOM 762 O GLY A 50 3.140 -1.099 -11.904 1.00 0.00 O ATOM 0 H GLY A 50 2.546 2.269 -9.857 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.099 1.368 -11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.791 1.494 -12.405 1.00 0.00 H new ATOM 766 N LYS A 51 3.735 -0.339 -9.890 1.00 0.00 N ATOM 767 CA LYS A 51 4.003 -1.667 -9.378 1.00 0.00 C ATOM 768 C LYS A 51 3.051 -1.996 -8.271 1.00 0.00 C ATOM 769 O LYS A 51 2.747 -1.139 -7.429 1.00 0.00 O ATOM 770 CB LYS A 51 5.448 -1.832 -8.843 1.00 0.00 C ATOM 771 CG LYS A 51 6.574 -1.614 -9.855 1.00 0.00 C ATOM 772 CD LYS A 51 6.849 -0.135 -10.128 1.00 0.00 C ATOM 773 CE LYS A 51 7.403 0.584 -8.896 1.00 0.00 C ATOM 774 NZ LYS A 51 8.667 -0.015 -8.394 1.00 0.00 N ATOM 0 H LYS A 51 3.880 0.415 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 51 3.875 -2.347 -10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.589 -1.134 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.548 -2.836 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.485 -2.086 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.316 -2.109 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.559 -0.044 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.928 0.352 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.576 1.632 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.656 0.561 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.109 0.631 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.461 -0.923 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.317 -0.172 -9.191 1.00 0.00 H new ATOM 788 N GLU A 52 2.568 -3.202 -8.271 1.00 0.00 N ATOM 789 CA GLU A 52 1.735 -3.655 -7.205 1.00 0.00 C ATOM 790 C GLU A 52 2.615 -4.342 -6.194 1.00 0.00 C ATOM 791 O GLU A 52 3.602 -4.998 -6.562 1.00 0.00 O ATOM 792 CB GLU A 52 0.638 -4.620 -7.676 1.00 0.00 C ATOM 793 CG GLU A 52 1.160 -5.897 -8.306 1.00 0.00 C ATOM 794 CD GLU A 52 0.106 -6.948 -8.408 1.00 0.00 C ATOM 795 OE1 GLU A 52 -0.121 -7.654 -7.410 1.00 0.00 O ATOM 796 OE2 GLU A 52 -0.512 -7.088 -9.475 1.00 0.00 O ATOM 0 H GLU A 52 2.739 -3.891 -9.003 1.00 0.00 H new ATOM 0 HA GLU A 52 1.225 -2.793 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.008 -4.879 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.003 -4.106 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.548 -5.677 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.993 -6.277 -7.715 1.00 0.00 H new ATOM 803 N GLY A 53 2.299 -4.193 -4.962 1.00 0.00 N ATOM 804 CA GLY A 53 3.071 -4.819 -3.957 1.00 0.00 C ATOM 805 C GLY A 53 2.314 -4.926 -2.690 1.00 0.00 C ATOM 806 O GLY A 53 1.174 -4.470 -2.610 1.00 0.00 O ATOM 0 H GLY A 53 1.510 -3.642 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.370 -5.813 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.986 -4.250 -3.790 1.00 0.00 H new ATOM 810 N VAL A 54 2.921 -5.522 -1.722 1.00 0.00 N ATOM 811 CA VAL A 54 2.347 -5.677 -0.429 1.00 0.00 C ATOM 812 C VAL A 54 3.158 -4.889 0.547 1.00 0.00 C ATOM 813 O VAL A 54 4.358 -4.637 0.316 1.00 0.00 O ATOM 814 CB VAL A 54 2.270 -7.167 0.030 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.376 -7.965 -0.888 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.653 -7.808 0.113 1.00 0.00 C ATOM 0 H VAL A 54 3.854 -5.925 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 54 1.321 -5.313 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 54 1.841 -7.174 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.337 -9.000 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.372 -7.542 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.773 -7.930 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.555 -8.844 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.128 -7.777 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.265 -7.261 0.830 1.00 0.00 H new ATOM 826 N PHE A 55 2.512 -4.461 1.582 1.00 0.00 N ATOM 827 CA PHE A 55 3.111 -3.650 2.581 1.00 0.00 C ATOM 828 C PHE A 55 2.276 -3.735 3.847 1.00 0.00 C ATOM 829 O PHE A 55 1.064 -3.960 3.765 1.00 0.00 O ATOM 830 CB PHE A 55 3.183 -2.187 2.076 1.00 0.00 C ATOM 831 CG PHE A 55 1.841 -1.524 1.797 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.223 -1.668 0.561 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.209 -0.754 2.766 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.009 -1.067 0.300 1.00 0.00 C ATOM 835 CE2 PHE A 55 -0.007 -0.150 2.509 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.607 -0.307 1.274 1.00 0.00 C ATOM 0 H PHE A 55 1.530 -4.673 1.757 1.00 0.00 H new ATOM 0 HA PHE A 55 4.122 -3.996 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.716 -1.591 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.777 -2.165 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.700 -2.259 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.674 -0.626 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.459 -1.191 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.488 0.444 3.272 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.557 0.165 1.071 1.00 0.00 H new ATOM 846 N PRO A 56 2.892 -3.643 5.025 1.00 0.00 N ATOM 847 CA PRO A 56 2.150 -3.553 6.270 1.00 0.00 C ATOM 848 C PRO A 56 1.445 -2.198 6.331 1.00 0.00 C ATOM 849 O PRO A 56 2.074 -1.138 6.116 1.00 0.00 O ATOM 850 CB PRO A 56 3.236 -3.668 7.357 1.00 0.00 C ATOM 851 CG PRO A 56 4.430 -4.203 6.644 1.00 0.00 C ATOM 852 CD PRO A 56 4.340 -3.657 5.257 1.00 0.00 C ATOM 0 HA PRO A 56 1.381 -4.317 6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.447 -2.699 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.923 -4.335 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.353 -3.888 7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.429 -5.293 6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.774 -2.660 5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.862 -4.287 4.537 1.00 0.00 H new ATOM 860 N ASP A 57 0.159 -2.234 6.613 1.00 0.00 N ATOM 861 CA ASP A 57 -0.720 -1.052 6.600 1.00 0.00 C ATOM 862 C ASP A 57 -0.252 0.052 7.543 1.00 0.00 C ATOM 863 O ASP A 57 -0.612 1.203 7.358 1.00 0.00 O ATOM 864 CB ASP A 57 -2.160 -1.425 6.974 1.00 0.00 C ATOM 865 CG ASP A 57 -2.358 -1.657 8.461 1.00 0.00 C ATOM 866 OD1 ASP A 57 -2.025 -2.749 8.967 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.866 -0.749 9.159 1.00 0.00 O ATOM 0 H ASP A 57 -0.327 -3.095 6.864 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.679 -0.674 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.830 -0.630 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.446 -2.327 6.432 1.00 0.00 H new ATOM 872 N ASN A 58 0.567 -0.288 8.530 1.00 0.00 N ATOM 873 CA ASN A 58 1.023 0.693 9.523 1.00 0.00 C ATOM 874 C ASN A 58 1.975 1.729 8.910 1.00 0.00 C ATOM 875 O ASN A 58 2.258 2.753 9.519 1.00 0.00 O ATOM 876 CB ASN A 58 1.683 0.011 10.747 1.00 0.00 C ATOM 877 CG ASN A 58 3.056 -0.591 10.462 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.168 -1.728 10.031 1.00 0.00 O ATOM 879 ND2 ASN A 58 4.102 0.138 10.766 1.00 0.00 N ATOM 0 H ASN A 58 0.931 -1.230 8.669 1.00 0.00 H new ATOM 0 HA ASN A 58 0.132 1.218 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.779 0.743 11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.022 -0.776 11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.041 -0.242 10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.977 1.085 11.124 1.00 0.00 H new ATOM 886 N PHE A 59 2.464 1.472 7.712 1.00 0.00 N ATOM 887 CA PHE A 59 3.355 2.417 7.053 1.00 0.00 C ATOM 888 C PHE A 59 2.576 3.394 6.173 1.00 0.00 C ATOM 889 O PHE A 59 3.158 4.271 5.511 1.00 0.00 O ATOM 890 CB PHE A 59 4.433 1.692 6.245 1.00 0.00 C ATOM 891 CG PHE A 59 5.385 0.895 7.089 1.00 0.00 C ATOM 892 CD1 PHE A 59 6.462 1.507 7.701 1.00 0.00 C ATOM 893 CD2 PHE A 59 5.204 -0.460 7.274 1.00 0.00 C ATOM 894 CE1 PHE A 59 7.338 0.782 8.480 1.00 0.00 C ATOM 895 CE2 PHE A 59 6.079 -1.189 8.055 1.00 0.00 C ATOM 896 CZ PHE A 59 7.145 -0.566 8.655 1.00 0.00 C ATOM 0 H PHE A 59 2.264 0.627 7.177 1.00 0.00 H new ATOM 0 HA PHE A 59 3.853 2.995 7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.952 1.026 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.998 2.425 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.619 2.567 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.369 -0.956 6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.175 1.274 8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.925 -2.249 8.194 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.831 -1.136 9.264 1.00 0.00 H new ATOM 906 N ALA A 60 1.269 3.265 6.190 1.00 0.00 N ATOM 907 CA ALA A 60 0.404 4.102 5.410 1.00 0.00 C ATOM 908 C ALA A 60 -0.831 4.456 6.224 1.00 0.00 C ATOM 909 O ALA A 60 -1.040 3.928 7.315 1.00 0.00 O ATOM 910 CB ALA A 60 0.003 3.390 4.117 1.00 0.00 C ATOM 0 H ALA A 60 0.778 2.569 6.752 1.00 0.00 H new ATOM 0 HA ALA A 60 0.933 5.018 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.654 4.036 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.896 3.161 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.520 2.465 4.358 1.00 0.00 H new ATOM 916 N VAL A 61 -1.604 5.366 5.731 1.00 0.00 N ATOM 917 CA VAL A 61 -2.851 5.710 6.348 1.00 0.00 C ATOM 918 C VAL A 61 -3.946 5.667 5.299 1.00 0.00 C ATOM 919 O VAL A 61 -3.844 6.318 4.247 1.00 0.00 O ATOM 920 CB VAL A 61 -2.810 7.104 7.077 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.510 8.264 6.127 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.102 7.355 7.844 1.00 0.00 C ATOM 0 H VAL A 61 -1.392 5.896 4.886 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.058 4.978 7.129 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.983 7.058 7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.495 9.199 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.539 8.107 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.282 8.314 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.049 8.325 8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.944 7.347 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.239 6.573 8.591 1.00 0.00 H new ATOM 932 N GLN A 62 -4.942 4.862 5.536 1.00 0.00 N ATOM 933 CA GLN A 62 -6.049 4.763 4.629 1.00 0.00 C ATOM 934 C GLN A 62 -6.862 6.034 4.789 1.00 0.00 C ATOM 935 O GLN A 62 -7.297 6.364 5.897 1.00 0.00 O ATOM 936 CB GLN A 62 -6.878 3.521 4.945 1.00 0.00 C ATOM 937 CG GLN A 62 -7.951 3.190 3.911 1.00 0.00 C ATOM 938 CD GLN A 62 -8.768 1.959 4.283 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.222 1.220 3.428 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.000 1.761 5.553 1.00 0.00 N ATOM 0 H GLN A 62 -5.010 4.260 6.357 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.713 4.661 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.207 2.667 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.357 3.658 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.619 4.044 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.478 3.028 2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.607 2.396 6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.574 0.972 5.850 1.00 0.00 H new ATOM 949 N ILE A 63 -7.029 6.765 3.718 1.00 0.00 N ATOM 950 CA ILE A 63 -7.672 8.064 3.803 1.00 0.00 C ATOM 951 C ILE A 63 -9.178 7.985 3.724 1.00 0.00 C ATOM 952 O ILE A 63 -9.875 8.987 3.898 1.00 0.00 O ATOM 953 CB ILE A 63 -7.109 9.072 2.797 1.00 0.00 C ATOM 954 CG1 ILE A 63 -7.161 8.538 1.358 1.00 0.00 C ATOM 955 CG2 ILE A 63 -5.688 9.463 3.191 1.00 0.00 C ATOM 956 CD1 ILE A 63 -6.599 9.494 0.324 1.00 0.00 C ATOM 0 H ILE A 63 -6.734 6.492 2.781 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.430 8.438 4.798 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.738 9.962 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.608 7.600 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.196 8.311 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.295 10.180 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.697 9.913 4.184 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.056 8.575 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.672 9.043 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.167 10.424 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.554 9.703 0.551 1.00 0.00 H new ATOM 968 N SER A 64 -9.647 6.805 3.456 1.00 0.00 N ATOM 969 CA SER A 64 -11.054 6.478 3.439 1.00 0.00 C ATOM 970 C SER A 64 -11.699 6.797 4.798 1.00 0.00 C ATOM 971 O SER A 64 -11.399 6.093 5.792 1.00 0.00 O ATOM 972 CB SER A 64 -11.222 5.001 3.116 1.00 0.00 C ATOM 973 OG SER A 64 -10.591 4.673 1.880 1.00 0.00 O ATOM 974 OXT SER A 64 -12.515 7.739 4.877 1.00 0.00 O ATOM 0 H SER A 64 -9.046 6.011 3.235 1.00 0.00 H new ATOM 0 HA SER A 64 -11.550 7.078 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.794 4.399 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.283 4.755 3.063 1.00 0.00 H new ATOM 0 HG SER A 64 -11.215 4.166 1.319 1.00 0.00 H new TER 980 SER A 64