USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 55 THR OG1 : rot -71:sc= 1.31 USER MOD Set 1.2: A 57 SER OG : rot -28:sc= 0.0264 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.75 K(o=2.8,f=-5.6!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -166:sc= 2.07 (180deg=0.76) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.768 K(o=2.7,f=0.7) USER MOD Set 3.2: A 14 THR OG1 : rot 48:sc= 1.93 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.25 (180deg=1.24) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.151) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.86 (180deg=-0.0209) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.32 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.65) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.21) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.935 (180deg=0.543) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 TYR OH : rot 15:sc= 1.36 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.345 51.856 19.941 1.00 0.00 N ATOM 2 CA MET A 1 32.726 52.151 21.330 1.00 0.00 C ATOM 3 C MET A 1 34.207 52.519 21.436 1.00 0.00 C ATOM 4 O MET A 1 34.993 52.133 20.573 1.00 0.00 O ATOM 5 CB MET A 1 32.371 51.025 22.297 1.00 0.00 C ATOM 6 CG MET A 1 33.155 49.730 22.109 1.00 0.00 C ATOM 7 SD MET A 1 32.805 48.485 23.376 1.00 0.00 S ATOM 8 CE MET A 1 33.967 47.180 22.906 1.00 0.00 C ATOM 0 H1 MET A 1 31.353 51.545 19.912 1.00 0.00 H new ATOM 0 H2 MET A 1 32.456 52.712 19.361 1.00 0.00 H new ATOM 0 H3 MET A 1 32.956 51.102 19.566 1.00 0.00 H new ATOM 0 HA MET A 1 32.135 53.017 21.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.528 51.380 23.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.308 50.804 22.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.924 49.314 21.128 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.221 49.955 22.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.871 46.341 23.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.746 46.844 21.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.985 47.568 22.946 1.00 0.00 H new ATOM 20 N GLN A 2 34.609 53.208 22.500 1.00 0.00 N ATOM 21 CA GLN A 2 35.973 53.623 22.758 1.00 0.00 C ATOM 22 C GLN A 2 36.642 52.739 23.812 1.00 0.00 C ATOM 23 O GLN A 2 36.012 52.427 24.821 1.00 0.00 O ATOM 24 CB GLN A 2 35.955 55.089 23.181 1.00 0.00 C ATOM 25 CG GLN A 2 37.356 55.664 23.366 1.00 0.00 C ATOM 26 CD GLN A 2 37.379 57.161 23.682 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.375 57.868 23.689 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.558 57.712 23.961 1.00 0.00 N ATOM 0 H GLN A 2 33.962 53.501 23.232 1.00 0.00 H new ATOM 0 HA GLN A 2 36.567 53.512 21.851 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.423 55.673 22.430 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.400 55.187 24.114 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.855 55.126 24.172 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.933 55.486 22.459 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.402 57.139 23.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.618 58.707 24.176 1.00 0.00 H new ATOM 37 N ILE A 3 37.913 52.387 23.643 1.00 0.00 N ATOM 38 CA ILE A 3 38.720 51.704 24.633 1.00 0.00 C ATOM 39 C ILE A 3 40.068 52.395 24.853 1.00 0.00 C ATOM 40 O ILE A 3 40.449 53.284 24.096 1.00 0.00 O ATOM 41 CB ILE A 3 38.856 50.216 24.323 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.479 49.858 22.977 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.496 49.530 24.430 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.981 50.102 22.866 1.00 0.00 C ATOM 0 H ILE A 3 38.422 52.579 22.780 1.00 0.00 H new ATOM 0 HA ILE A 3 38.192 51.771 25.584 1.00 0.00 H new ATOM 0 HB ILE A 3 39.560 49.857 25.074 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.283 48.805 22.773 1.00 0.00 H new ATOM 0 HG13 ILE A 3 38.976 50.432 22.199 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.605 48.469 24.207 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.107 49.650 25.441 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.804 49.981 23.719 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.324 49.815 21.872 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.191 51.159 23.032 1.00 0.00 H new ATOM 0 HD13 ILE A 3 41.503 49.507 23.615 1.00 0.00 H new ATOM 56 N PHE A 4 40.804 51.963 25.873 1.00 0.00 N ATOM 57 CA PHE A 4 42.149 52.413 26.173 1.00 0.00 C ATOM 58 C PHE A 4 43.152 51.258 26.198 1.00 0.00 C ATOM 59 O PHE A 4 42.803 50.129 26.536 1.00 0.00 O ATOM 60 CB PHE A 4 42.162 53.180 27.491 1.00 0.00 C ATOM 61 CG PHE A 4 41.304 54.422 27.506 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.108 54.446 28.234 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.709 55.563 26.803 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.312 55.597 28.247 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.909 56.712 26.803 1.00 0.00 C ATOM 66 CZ PHE A 4 39.711 56.730 27.528 1.00 0.00 C ATOM 0 H PHE A 4 40.463 51.265 26.534 1.00 0.00 H new ATOM 0 HA PHE A 4 42.463 53.082 25.372 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.828 52.514 28.287 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.189 53.462 27.722 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.798 53.572 28.788 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.642 55.557 26.259 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.391 55.611 28.811 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.216 57.584 26.244 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.095 57.617 27.532 1.00 0.00 H new ATOM 76 N VAL A 5 44.411 51.539 25.878 1.00 0.00 N ATOM 77 CA VAL A 5 45.510 50.597 25.954 1.00 0.00 C ATOM 78 C VAL A 5 46.705 51.257 26.645 1.00 0.00 C ATOM 79 O VAL A 5 47.212 52.267 26.163 1.00 0.00 O ATOM 80 CB VAL A 5 45.899 50.045 24.585 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.929 48.927 24.724 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.708 49.482 23.813 1.00 0.00 C ATOM 0 H VAL A 5 44.698 52.460 25.548 1.00 0.00 H new ATOM 0 HA VAL A 5 45.180 49.742 26.545 1.00 0.00 H new ATOM 0 HB VAL A 5 46.311 50.890 24.034 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.191 48.549 23.736 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.823 49.314 25.213 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.510 48.118 25.322 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.046 49.104 22.848 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.256 48.670 24.383 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.971 50.269 23.657 1.00 0.00 H new ATOM 92 N LYS A 6 47.154 50.700 27.766 1.00 0.00 N ATOM 93 CA LYS A 6 48.265 51.181 28.562 1.00 0.00 C ATOM 94 C LYS A 6 49.544 50.387 28.285 1.00 0.00 C ATOM 95 O LYS A 6 49.500 49.163 28.184 1.00 0.00 O ATOM 96 CB LYS A 6 47.873 51.158 30.037 1.00 0.00 C ATOM 97 CG LYS A 6 49.028 51.628 30.916 1.00 0.00 C ATOM 98 CD LYS A 6 48.698 51.756 32.401 1.00 0.00 C ATOM 99 CE LYS A 6 49.864 52.402 33.143 1.00 0.00 C ATOM 100 NZ LYS A 6 51.099 51.609 33.046 1.00 0.00 N ATOM 0 H LYS A 6 46.728 49.860 28.158 1.00 0.00 H new ATOM 0 HA LYS A 6 48.489 52.210 28.281 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.006 51.798 30.197 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.581 50.148 30.324 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.858 50.931 30.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.372 52.596 30.551 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.797 52.356 32.531 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.490 50.772 32.821 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.042 53.398 32.737 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.598 52.528 34.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.811 51.994 33.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.897 50.620 33.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.463 51.651 32.073 1.00 0.00 H new ATOM 168 N LYS A 11 52.995 55.496 28.646 1.00 0.00 N ATOM 169 CA LYS A 11 52.074 55.934 27.617 1.00 0.00 C ATOM 170 C LYS A 11 50.773 55.130 27.653 1.00 0.00 C ATOM 171 O LYS A 11 50.827 53.902 27.675 1.00 0.00 O ATOM 172 CB LYS A 11 52.744 55.879 26.247 1.00 0.00 C ATOM 173 CG LYS A 11 51.933 56.603 25.178 1.00 0.00 C ATOM 174 CD LYS A 11 52.605 56.563 23.808 1.00 0.00 C ATOM 175 CE LYS A 11 51.852 57.462 22.832 1.00 0.00 C ATOM 176 NZ LYS A 11 52.503 57.508 21.514 1.00 0.00 N ATOM 0 HA LYS A 11 51.805 56.972 27.814 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.736 56.325 26.312 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.881 54.838 25.953 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.944 56.150 25.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.787 57.641 25.478 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.641 56.891 23.892 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.624 55.540 23.433 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.830 57.100 22.720 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.790 58.470 23.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.621 58.498 21.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.435 57.051 21.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.914 57.007 20.818 1.00 0.00 H new ATOM 190 N THR A 12 49.635 55.811 27.548 1.00 0.00 N ATOM 191 CA THR A 12 48.331 55.222 27.319 1.00 0.00 C ATOM 192 C THR A 12 47.715 55.819 26.053 1.00 0.00 C ATOM 193 O THR A 12 47.739 57.032 25.857 1.00 0.00 O ATOM 194 CB THR A 12 47.415 55.393 28.528 1.00 0.00 C ATOM 195 OG1 THR A 12 48.035 54.884 29.686 1.00 0.00 O ATOM 196 CG2 THR A 12 46.087 54.655 28.392 1.00 0.00 C ATOM 0 H THR A 12 49.601 56.828 27.624 1.00 0.00 H new ATOM 0 HA THR A 12 48.453 54.148 27.175 1.00 0.00 H new ATOM 0 HB THR A 12 47.225 56.464 28.594 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.439 55.001 30.455 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.486 54.820 29.286 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.550 55.029 27.520 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.274 53.588 28.272 1.00 0.00 H new ATOM 204 N ILE A 13 47.149 54.975 25.196 1.00 0.00 N ATOM 205 CA ILE A 13 46.523 55.336 23.938 1.00 0.00 C ATOM 206 C ILE A 13 45.037 54.975 23.929 1.00 0.00 C ATOM 207 O ILE A 13 44.601 54.151 24.730 1.00 0.00 O ATOM 208 CB ILE A 13 47.268 54.729 22.752 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.187 53.206 22.704 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.710 55.230 22.741 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.801 52.574 21.459 1.00 0.00 C ATOM 0 H ILE A 13 47.115 53.971 25.373 1.00 0.00 H new ATOM 0 HA ILE A 13 46.587 56.419 23.835 1.00 0.00 H new ATOM 0 HB ILE A 13 46.771 55.065 21.842 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.686 52.801 23.584 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.140 52.909 22.767 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.240 54.795 21.893 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.717 56.317 22.655 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.204 54.936 23.667 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.697 51.490 21.512 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.287 52.945 20.572 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.858 52.835 21.402 1.00 0.00 H new ATOM 223 N THR A 14 44.263 55.523 22.996 1.00 0.00 N ATOM 224 CA THR A 14 42.878 55.159 22.776 1.00 0.00 C ATOM 225 C THR A 14 42.593 54.724 21.336 1.00 0.00 C ATOM 226 O THR A 14 43.254 55.190 20.411 1.00 0.00 O ATOM 227 CB THR A 14 41.945 56.281 23.222 1.00 0.00 C ATOM 228 OG1 THR A 14 40.603 55.847 23.207 1.00 0.00 O ATOM 229 CG2 THR A 14 42.015 57.551 22.378 1.00 0.00 C ATOM 0 H THR A 14 44.595 56.249 22.361 1.00 0.00 H new ATOM 0 HA THR A 14 42.681 54.284 23.395 1.00 0.00 H new ATOM 0 HB THR A 14 42.290 56.529 24.226 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.535 54.980 23.658 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.317 58.289 22.773 1.00 0.00 H new ATOM 0 HG22 THR A 14 43.027 57.955 22.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.751 57.317 21.346 1.00 0.00 H new ATOM 237 N LEU A 15 41.623 53.832 21.156 1.00 0.00 N ATOM 238 CA LEU A 15 41.071 53.430 19.879 1.00 0.00 C ATOM 239 C LEU A 15 39.545 53.331 19.935 1.00 0.00 C ATOM 240 O LEU A 15 38.972 53.058 20.988 1.00 0.00 O ATOM 241 CB LEU A 15 41.658 52.093 19.435 1.00 0.00 C ATOM 242 CG LEU A 15 43.142 52.067 19.085 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.577 50.629 18.815 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.467 52.880 17.835 1.00 0.00 C ATOM 0 H LEU A 15 41.183 53.350 21.940 1.00 0.00 H new ATOM 0 HA LEU A 15 41.339 54.197 19.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.485 51.367 20.230 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.099 51.751 18.564 1.00 0.00 H new ATOM 0 HG LEU A 15 43.669 52.502 19.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.638 50.611 18.565 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.403 50.023 19.704 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.001 50.225 17.983 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.537 52.826 17.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.917 52.476 16.985 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.180 53.920 17.992 1.00 0.00 H new ATOM 256 N GLU A 16 38.900 53.493 18.783 1.00 0.00 N ATOM 257 CA GLU A 16 37.513 53.141 18.551 1.00 0.00 C ATOM 258 C GLU A 16 37.406 51.715 18.007 1.00 0.00 C ATOM 259 O GLU A 16 38.176 51.321 17.135 1.00 0.00 O ATOM 260 CB GLU A 16 36.863 54.133 17.591 1.00 0.00 C ATOM 261 CG GLU A 16 36.877 55.595 18.028 1.00 0.00 C ATOM 262 CD GLU A 16 36.070 55.907 19.291 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.876 55.544 19.366 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.594 56.629 20.167 1.00 0.00 O ATOM 0 H GLU A 16 39.351 53.888 17.958 1.00 0.00 H new ATOM 0 HA GLU A 16 36.982 53.186 19.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.366 54.058 16.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.827 53.831 17.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.911 55.898 18.193 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.493 56.205 17.211 1.00 0.00 H new ATOM 271 N VAL A 17 36.471 50.924 18.527 1.00 0.00 N ATOM 272 CA VAL A 17 36.297 49.506 18.286 1.00 0.00 C ATOM 273 C VAL A 17 34.831 49.082 18.384 1.00 0.00 C ATOM 274 O VAL A 17 33.979 49.836 18.851 1.00 0.00 O ATOM 275 CB VAL A 17 37.130 48.680 19.262 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.633 48.907 19.134 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.735 48.904 20.719 1.00 0.00 C ATOM 0 H VAL A 17 35.770 51.289 19.172 1.00 0.00 H new ATOM 0 HA VAL A 17 36.639 49.319 17.268 1.00 0.00 H new ATOM 0 HB VAL A 17 36.908 47.651 18.978 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.158 48.286 19.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.957 48.641 18.128 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.860 49.956 19.323 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.362 48.290 21.365 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.870 49.955 20.975 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.690 48.628 20.859 1.00 0.00 H new ATOM 287 N GLU A 18 34.526 47.845 18.002 1.00 0.00 N ATOM 288 CA GLU A 18 33.235 47.200 18.140 1.00 0.00 C ATOM 289 C GLU A 18 33.342 45.936 18.996 1.00 0.00 C ATOM 290 O GLU A 18 34.381 45.281 18.952 1.00 0.00 O ATOM 291 CB GLU A 18 32.683 46.856 16.760 1.00 0.00 C ATOM 292 CG GLU A 18 31.732 47.909 16.200 1.00 0.00 C ATOM 293 CD GLU A 18 30.376 47.875 16.908 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.063 48.819 17.666 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.629 46.889 16.735 1.00 0.00 O ATOM 0 H GLU A 18 35.217 47.236 17.563 1.00 0.00 H new ATOM 0 HA GLU A 18 32.555 47.889 18.640 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.515 46.726 16.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.161 45.901 16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.177 48.898 16.311 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.590 47.741 15.132 1.00 0.00 H new ATOM 302 N PRO A 19 32.307 45.518 19.718 1.00 0.00 N ATOM 303 CA PRO A 19 32.301 44.278 20.468 1.00 0.00 C ATOM 304 C PRO A 19 32.702 43.022 19.690 1.00 0.00 C ATOM 305 O PRO A 19 33.276 42.099 20.265 1.00 0.00 O ATOM 306 CB PRO A 19 30.880 44.129 21.004 1.00 0.00 C ATOM 307 CG PRO A 19 30.453 45.580 21.206 1.00 0.00 C ATOM 308 CD PRO A 19 31.115 46.283 20.024 1.00 0.00 C ATOM 0 HA PRO A 19 33.065 44.350 21.242 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.232 43.609 20.298 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.854 43.564 21.936 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.369 45.691 21.189 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.799 45.976 22.160 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.444 46.319 19.166 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.367 47.313 20.275 1.00 0.00 H new ATOM 316 N SER A 20 32.439 42.986 18.388 1.00 0.00 N ATOM 317 CA SER A 20 32.782 41.889 17.506 1.00 0.00 C ATOM 318 C SER A 20 34.200 41.938 16.935 1.00 0.00 C ATOM 319 O SER A 20 34.572 41.055 16.165 1.00 0.00 O ATOM 320 CB SER A 20 31.768 41.793 16.370 1.00 0.00 C ATOM 321 OG SER A 20 30.458 41.706 16.882 1.00 0.00 O ATOM 0 H SER A 20 31.964 43.749 17.906 1.00 0.00 H new ATOM 0 HA SER A 20 32.750 40.997 18.131 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.854 42.666 15.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.983 40.919 15.756 1.00 0.00 H new ATOM 0 HG SER A 20 29.820 41.647 16.140 1.00 0.00 H new ATOM 327 N ASP A 21 35.002 42.945 17.269 1.00 0.00 N ATOM 328 CA ASP A 21 36.343 43.115 16.747 1.00 0.00 C ATOM 329 C ASP A 21 37.323 42.093 17.327 1.00 0.00 C ATOM 330 O ASP A 21 37.311 41.828 18.527 1.00 0.00 O ATOM 331 CB ASP A 21 36.800 44.547 17.011 1.00 0.00 C ATOM 332 CG ASP A 21 38.132 44.887 16.340 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.385 44.391 15.221 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.867 45.744 16.877 1.00 0.00 O ATOM 0 H ASP A 21 34.727 43.677 17.924 1.00 0.00 H new ATOM 0 HA ASP A 21 36.326 42.935 15.672 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.035 45.237 16.656 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.893 44.700 18.086 1.00 0.00 H new ATOM 339 N THR A 22 38.182 41.513 16.495 1.00 0.00 N ATOM 340 CA THR A 22 39.176 40.529 16.876 1.00 0.00 C ATOM 341 C THR A 22 40.481 41.150 17.377 1.00 0.00 C ATOM 342 O THR A 22 40.941 42.173 16.873 1.00 0.00 O ATOM 343 CB THR A 22 39.502 39.548 15.753 1.00 0.00 C ATOM 344 OG1 THR A 22 39.878 40.230 14.578 1.00 0.00 O ATOM 345 CG2 THR A 22 38.313 38.648 15.427 1.00 0.00 C ATOM 0 H THR A 22 38.201 41.728 15.498 1.00 0.00 H new ATOM 0 HA THR A 22 38.709 39.987 17.698 1.00 0.00 H new ATOM 0 HB THR A 22 40.330 38.935 16.108 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.083 39.580 13.874 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.584 37.964 14.623 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.036 38.076 16.312 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.468 39.261 15.112 1.00 0.00 H new ATOM 353 N ILE A 23 41.148 40.473 18.306 1.00 0.00 N ATOM 354 CA ILE A 23 42.408 40.926 18.862 1.00 0.00 C ATOM 355 C ILE A 23 43.514 41.011 17.808 1.00 0.00 C ATOM 356 O ILE A 23 44.341 41.917 17.870 1.00 0.00 O ATOM 357 CB ILE A 23 42.788 40.068 20.065 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.745 40.089 21.178 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.162 40.420 20.628 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.389 41.447 21.778 1.00 0.00 C ATOM 0 H ILE A 23 40.822 39.588 18.694 1.00 0.00 H new ATOM 0 HA ILE A 23 42.280 41.949 19.216 1.00 0.00 H new ATOM 0 HB ILE A 23 42.829 39.051 19.674 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.830 39.641 20.791 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.099 39.446 21.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.380 39.779 21.482 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.920 40.271 19.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.169 41.463 20.946 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.637 41.315 22.556 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.282 41.900 22.209 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.993 42.097 20.998 1.00 0.00 H new ATOM 372 N GLU A 24 43.499 40.164 16.783 1.00 0.00 N ATOM 373 CA GLU A 24 44.381 40.253 15.636 1.00 0.00 C ATOM 374 C GLU A 24 44.265 41.598 14.918 1.00 0.00 C ATOM 375 O GLU A 24 45.274 42.192 14.543 1.00 0.00 O ATOM 376 CB GLU A 24 44.055 39.105 14.684 1.00 0.00 C ATOM 377 CG GLU A 24 44.992 39.014 13.484 1.00 0.00 C ATOM 378 CD GLU A 24 44.696 37.778 12.632 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.164 36.671 12.973 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.973 37.889 11.618 1.00 0.00 O ATOM 0 H GLU A 24 42.853 39.377 16.731 1.00 0.00 H new ATOM 0 HA GLU A 24 45.412 40.177 15.983 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.094 38.166 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.032 39.222 14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.890 39.911 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.025 38.980 13.830 1.00 0.00 H new ATOM 387 N ASN A 25 43.050 42.118 14.770 1.00 0.00 N ATOM 388 CA ASN A 25 42.838 43.415 14.157 1.00 0.00 C ATOM 389 C ASN A 25 43.148 44.575 15.106 1.00 0.00 C ATOM 390 O ASN A 25 43.701 45.577 14.659 1.00 0.00 O ATOM 391 CB ASN A 25 41.434 43.504 13.566 1.00 0.00 C ATOM 392 CG ASN A 25 41.341 44.707 12.624 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.679 45.707 12.891 1.00 0.00 O ATOM 394 ND2 ASN A 25 42.052 44.661 11.501 1.00 0.00 N ATOM 0 H ASN A 25 42.194 41.652 15.071 1.00 0.00 H new ATOM 0 HA ASN A 25 43.551 43.513 13.339 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.199 42.588 13.024 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.699 43.599 14.365 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.048 45.456 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.602 43.831 11.279 1.00 0.00 H new ATOM 401 N VAL A 26 42.890 44.446 16.404 1.00 0.00 N ATOM 402 CA VAL A 26 43.340 45.399 17.398 1.00 0.00 C ATOM 403 C VAL A 26 44.858 45.578 17.328 1.00 0.00 C ATOM 404 O VAL A 26 45.327 46.709 17.215 1.00 0.00 O ATOM 405 CB VAL A 26 42.907 45.009 18.808 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.423 45.979 19.867 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.386 44.982 18.939 1.00 0.00 C ATOM 0 H VAL A 26 42.357 43.668 16.793 1.00 0.00 H new ATOM 0 HA VAL A 26 42.864 46.352 17.168 1.00 0.00 H new ATOM 0 HB VAL A 26 43.331 44.018 18.972 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.086 45.655 20.852 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.513 45.997 19.844 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.039 46.979 19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.113 44.700 19.956 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.984 45.970 18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.973 44.256 18.239 1.00 0.00 H new ATOM 417 N LYS A 27 45.623 44.491 17.294 1.00 0.00 N ATOM 418 CA LYS A 27 47.066 44.534 17.163 1.00 0.00 C ATOM 419 C LYS A 27 47.519 45.192 15.858 1.00 0.00 C ATOM 420 O LYS A 27 48.459 45.983 15.873 1.00 0.00 O ATOM 421 CB LYS A 27 47.657 43.134 17.291 1.00 0.00 C ATOM 422 CG LYS A 27 47.566 42.563 18.705 1.00 0.00 C ATOM 423 CD LYS A 27 48.129 41.146 18.754 1.00 0.00 C ATOM 424 CE LYS A 27 48.087 40.622 20.187 1.00 0.00 C ATOM 425 NZ LYS A 27 48.646 39.265 20.280 1.00 0.00 N ATOM 0 H LYS A 27 45.248 43.545 17.358 1.00 0.00 H new ATOM 0 HA LYS A 27 47.440 45.155 17.977 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.140 42.465 16.603 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.703 43.160 16.984 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.116 43.202 19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.527 42.558 19.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.551 40.492 18.101 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.154 41.139 18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.648 41.293 20.838 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.057 40.618 20.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.378 38.841 21.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.273 38.682 19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.683 39.311 20.211 1.00 0.00 H new ATOM 439 N ALA A 28 46.828 44.937 14.751 1.00 0.00 N ATOM 440 CA ALA A 28 47.107 45.584 13.484 1.00 0.00 C ATOM 441 C ALA A 28 46.858 47.093 13.528 1.00 0.00 C ATOM 442 O ALA A 28 47.695 47.870 13.076 1.00 0.00 O ATOM 443 CB ALA A 28 46.289 44.905 12.390 1.00 0.00 C ATOM 0 H ALA A 28 46.056 44.272 14.713 1.00 0.00 H new ATOM 0 HA ALA A 28 48.168 45.471 13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.492 45.385 11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.562 43.851 12.333 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.228 44.993 12.622 1.00 0.00 H new ATOM 449 N LYS A 29 45.758 47.543 14.126 1.00 0.00 N ATOM 450 CA LYS A 29 45.428 48.947 14.266 1.00 0.00 C ATOM 451 C LYS A 29 46.394 49.688 15.192 1.00 0.00 C ATOM 452 O LYS A 29 46.666 50.864 14.960 1.00 0.00 O ATOM 453 CB LYS A 29 43.976 49.082 14.716 1.00 0.00 C ATOM 454 CG LYS A 29 43.021 48.705 13.587 1.00 0.00 C ATOM 455 CD LYS A 29 41.542 48.798 13.946 1.00 0.00 C ATOM 456 CE LYS A 29 41.160 47.826 15.060 1.00 0.00 C ATOM 457 NZ LYS A 29 39.767 47.378 14.921 1.00 0.00 N ATOM 0 H LYS A 29 45.059 46.922 14.534 1.00 0.00 H new ATOM 0 HA LYS A 29 45.540 49.426 13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.797 48.441 15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.783 50.106 15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.215 49.354 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.240 47.686 13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.308 49.816 14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.941 48.589 13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.826 46.963 15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.295 48.308 16.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.461 46.917 15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.156 48.198 14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.697 46.702 14.134 1.00 0.00 H new ATOM 471 N ILE A 30 46.967 49.000 16.177 1.00 0.00 N ATOM 472 CA ILE A 30 48.061 49.482 16.996 1.00 0.00 C ATOM 473 C ILE A 30 49.360 49.613 16.198 1.00 0.00 C ATOM 474 O ILE A 30 50.137 50.517 16.494 1.00 0.00 O ATOM 475 CB ILE A 30 48.206 48.621 18.247 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.010 48.825 19.173 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.495 48.896 19.016 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.897 47.810 20.306 1.00 0.00 C ATOM 0 H ILE A 30 46.667 48.059 16.430 1.00 0.00 H new ATOM 0 HA ILE A 30 47.825 50.493 17.328 1.00 0.00 H new ATOM 0 HB ILE A 30 48.246 47.587 17.905 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.069 49.824 19.604 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.097 48.787 18.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.539 48.252 19.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.352 48.693 18.374 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.516 49.940 19.329 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.018 48.035 20.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.803 46.808 19.888 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.789 47.861 20.930 1.00 0.00 H new ATOM 490 N GLN A 31 49.604 48.808 15.167 1.00 0.00 N ATOM 491 CA GLN A 31 50.800 48.937 14.360 1.00 0.00 C ATOM 492 C GLN A 31 50.821 50.242 13.561 1.00 0.00 C ATOM 493 O GLN A 31 51.845 50.922 13.576 1.00 0.00 O ATOM 494 CB GLN A 31 51.044 47.726 13.466 1.00 0.00 C ATOM 495 CG GLN A 31 52.441 47.803 12.858 1.00 0.00 C ATOM 496 CD GLN A 31 52.886 46.602 12.020 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.113 45.749 11.588 1.00 0.00 O ATOM 498 NE2 GLN A 31 54.187 46.506 11.762 1.00 0.00 N ATOM 0 H GLN A 31 48.980 48.056 14.874 1.00 0.00 H new ATOM 0 HA GLN A 31 51.632 48.976 15.063 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.940 46.809 14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.295 47.690 12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.493 48.694 12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.159 47.940 13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.831 47.212 12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.541 45.727 11.207 1.00 0.00 H new ATOM 507 N ASP A 32 49.724 50.646 12.928 1.00 0.00 N ATOM 508 CA ASP A 32 49.683 51.926 12.249 1.00 0.00 C ATOM 509 C ASP A 32 49.821 53.096 13.225 1.00 0.00 C ATOM 510 O ASP A 32 50.498 54.073 12.912 1.00 0.00 O ATOM 511 CB ASP A 32 48.417 52.065 11.409 1.00 0.00 C ATOM 512 CG ASP A 32 48.404 53.371 10.611 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.261 53.554 9.720 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.524 54.228 10.845 1.00 0.00 O ATOM 0 H ASP A 32 48.860 50.106 12.874 1.00 0.00 H new ATOM 0 HA ASP A 32 50.541 51.959 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.341 51.220 10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.543 52.028 12.060 1.00 0.00 H new ATOM 519 N LYS A 33 49.216 53.000 14.406 1.00 0.00 N ATOM 520 CA LYS A 33 49.210 54.066 15.387 1.00 0.00 C ATOM 521 C LYS A 33 50.542 54.256 16.115 1.00 0.00 C ATOM 522 O LYS A 33 50.993 55.391 16.257 1.00 0.00 O ATOM 523 CB LYS A 33 48.020 53.874 16.324 1.00 0.00 C ATOM 524 CG LYS A 33 47.736 55.136 17.134 1.00 0.00 C ATOM 525 CD LYS A 33 46.332 55.167 17.729 1.00 0.00 C ATOM 526 CE LYS A 33 46.119 56.531 18.379 1.00 0.00 C ATOM 527 NZ LYS A 33 44.701 56.815 18.652 1.00 0.00 N ATOM 0 H LYS A 33 48.711 52.166 14.706 1.00 0.00 H new ATOM 0 HA LYS A 33 49.088 55.011 14.858 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.137 53.607 15.743 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.219 53.043 17.001 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.466 55.215 17.939 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.872 56.008 16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.586 54.995 16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.214 54.372 18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.680 56.576 19.312 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.522 57.306 17.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.610 57.767 19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.160 56.767 17.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.329 56.112 19.323 1.00 0.00 H new ATOM 541 N GLU A 34 51.194 53.178 16.542 1.00 0.00 N ATOM 542 CA GLU A 34 52.383 53.211 17.370 1.00 0.00 C ATOM 543 C GLU A 34 53.626 52.569 16.749 1.00 0.00 C ATOM 544 O GLU A 34 54.696 52.653 17.348 1.00 0.00 O ATOM 545 CB GLU A 34 52.095 52.556 18.718 1.00 0.00 C ATOM 546 CG GLU A 34 51.146 53.330 19.629 1.00 0.00 C ATOM 547 CD GLU A 34 51.703 54.691 20.053 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.838 54.785 20.569 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.019 55.721 19.869 1.00 0.00 O ATOM 0 H GLU A 34 50.895 52.231 16.311 1.00 0.00 H new ATOM 0 HA GLU A 34 52.622 54.268 17.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.675 51.566 18.540 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.039 52.412 19.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.196 53.476 19.115 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.939 52.735 20.518 1.00 0.00 H new ATOM 556 N GLY A 35 53.551 51.914 15.595 1.00 0.00 N ATOM 557 CA GLY A 35 54.705 51.315 14.954 1.00 0.00 C ATOM 558 C GLY A 35 55.193 50.001 15.566 1.00 0.00 C ATOM 559 O GLY A 35 56.306 49.572 15.267 1.00 0.00 O ATOM 0 H GLY A 35 52.680 51.786 15.079 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.465 51.140 13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.525 52.033 14.978 1.00 0.00 H new ATOM 563 N ILE A 36 54.396 49.342 16.401 1.00 0.00 N ATOM 564 CA ILE A 36 54.746 48.131 17.116 1.00 0.00 C ATOM 565 C ILE A 36 54.270 46.913 16.320 1.00 0.00 C ATOM 566 O ILE A 36 53.062 46.783 16.135 1.00 0.00 O ATOM 567 CB ILE A 36 54.158 48.142 18.524 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.484 49.410 19.309 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.660 46.929 19.303 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.628 49.604 20.557 1.00 0.00 C ATOM 0 H ILE A 36 53.447 49.656 16.603 1.00 0.00 H new ATOM 0 HA ILE A 36 55.830 48.076 17.221 1.00 0.00 H new ATOM 0 HB ILE A 36 53.075 48.108 18.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.534 49.384 19.601 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.356 50.273 18.655 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.237 46.941 20.308 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.354 46.016 18.792 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.748 46.962 19.367 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.920 50.526 21.059 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.578 49.663 20.272 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.774 48.761 21.233 1.00 0.00 H new ATOM 582 N PRO A 37 55.125 46.000 15.869 1.00 0.00 N ATOM 583 CA PRO A 37 54.700 44.834 15.119 1.00 0.00 C ATOM 584 C PRO A 37 53.762 43.923 15.914 1.00 0.00 C ATOM 585 O PRO A 37 54.051 43.673 17.081 1.00 0.00 O ATOM 586 CB PRO A 37 55.972 44.090 14.722 1.00 0.00 C ATOM 587 CG PRO A 37 57.042 45.178 14.747 1.00 0.00 C ATOM 588 CD PRO A 37 56.572 46.074 15.890 1.00 0.00 C ATOM 0 HA PRO A 37 54.124 45.147 14.248 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.201 43.285 15.421 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.881 43.638 13.734 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.034 44.768 14.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.094 45.719 13.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.969 45.732 16.846 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.915 47.099 15.751 1.00 0.00 H new ATOM 596 N PRO A 38 52.689 43.376 15.349 1.00 0.00 N ATOM 597 CA PRO A 38 51.777 42.496 16.051 1.00 0.00 C ATOM 598 C PRO A 38 52.414 41.265 16.701 1.00 0.00 C ATOM 599 O PRO A 38 51.995 40.855 17.781 1.00 0.00 O ATOM 600 CB PRO A 38 50.735 42.087 15.014 1.00 0.00 C ATOM 601 CG PRO A 38 50.658 43.306 14.100 1.00 0.00 C ATOM 602 CD PRO A 38 52.108 43.782 14.085 1.00 0.00 C ATOM 0 HA PRO A 38 51.359 43.032 16.903 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.038 41.193 14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.772 41.868 15.475 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.303 43.047 13.103 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.983 44.067 14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.652 43.342 13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.160 44.864 13.964 1.00 0.00 H new ATOM 610 N ASP A 39 53.482 40.723 16.123 1.00 0.00 N ATOM 611 CA ASP A 39 54.259 39.637 16.687 1.00 0.00 C ATOM 612 C ASP A 39 55.145 40.047 17.865 1.00 0.00 C ATOM 613 O ASP A 39 55.670 39.187 18.569 1.00 0.00 O ATOM 614 CB ASP A 39 55.038 38.924 15.586 1.00 0.00 C ATOM 615 CG ASP A 39 56.025 39.799 14.811 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.601 40.804 14.203 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.220 39.437 14.737 1.00 0.00 O ATOM 0 H ASP A 39 53.837 41.041 15.221 1.00 0.00 H new ATOM 0 HA ASP A 39 53.550 38.933 17.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.586 38.094 16.031 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.327 38.495 14.880 1.00 0.00 H new ATOM 622 N GLN A 40 55.261 41.341 18.147 1.00 0.00 N ATOM 623 CA GLN A 40 55.851 41.894 19.349 1.00 0.00 C ATOM 624 C GLN A 40 54.813 42.206 20.429 1.00 0.00 C ATOM 625 O GLN A 40 55.200 42.404 21.579 1.00 0.00 O ATOM 626 CB GLN A 40 56.663 43.123 18.953 1.00 0.00 C ATOM 627 CG GLN A 40 57.693 43.575 19.985 1.00 0.00 C ATOM 628 CD GLN A 40 58.476 44.793 19.490 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.318 45.911 19.971 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.363 44.632 18.510 1.00 0.00 N ATOM 0 H GLN A 40 54.928 42.063 17.508 1.00 0.00 H new ATOM 0 HA GLN A 40 56.506 41.151 19.803 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.178 42.913 18.016 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.976 43.948 18.762 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.191 43.818 20.921 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.382 42.758 20.196 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.507 43.710 18.099 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.899 45.431 18.170 1.00 0.00 H new ATOM 639 N GLN A 41 53.521 42.244 20.117 1.00 0.00 N ATOM 640 CA GLN A 41 52.472 42.686 21.015 1.00 0.00 C ATOM 641 C GLN A 41 51.817 41.530 21.774 1.00 0.00 C ATOM 642 O GLN A 41 51.077 40.755 21.174 1.00 0.00 O ATOM 643 CB GLN A 41 51.387 43.434 20.247 1.00 0.00 C ATOM 644 CG GLN A 41 51.800 44.722 19.541 1.00 0.00 C ATOM 645 CD GLN A 41 50.617 45.353 18.804 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.496 45.400 19.305 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.786 45.843 17.579 1.00 0.00 N ATOM 0 H GLN A 41 53.170 41.958 19.203 1.00 0.00 H new ATOM 0 HA GLN A 41 52.952 43.344 21.739 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.972 42.757 19.500 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.583 43.672 20.943 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.196 45.429 20.270 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.602 44.511 18.833 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.707 45.816 17.141 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.995 46.246 17.077 1.00 0.00 H new ATOM 656 N ARG A 42 51.975 41.465 23.093 1.00 0.00 N ATOM 657 CA ARG A 42 51.095 40.717 23.970 1.00 0.00 C ATOM 658 C ARG A 42 50.036 41.652 24.558 1.00 0.00 C ATOM 659 O ARG A 42 50.376 42.754 24.984 1.00 0.00 O ATOM 660 CB ARG A 42 51.873 40.052 25.102 1.00 0.00 C ATOM 661 CG ARG A 42 52.696 38.841 24.675 1.00 0.00 C ATOM 662 CD ARG A 42 53.410 38.291 25.907 1.00 0.00 C ATOM 663 NE ARG A 42 54.296 37.170 25.593 1.00 0.00 N ATOM 664 CZ ARG A 42 55.367 36.803 26.309 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.684 37.392 27.470 1.00 0.00 N ATOM 666 NH2 ARG A 42 56.165 35.817 25.877 1.00 0.00 N ATOM 0 H ARG A 42 52.732 41.940 23.585 1.00 0.00 H new ATOM 0 HA ARG A 42 50.615 39.936 23.381 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.539 40.789 25.550 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.171 39.744 25.877 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.052 38.079 24.237 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.420 39.124 23.911 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.990 39.088 26.372 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.668 37.969 26.638 1.00 0.00 H new ATOM 0 HE ARG A 42 54.080 36.623 24.760 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.102 38.146 27.835 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.507 37.086 27.989 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.958 35.342 24.999 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.979 35.542 26.427 1.00 0.00 H new ATOM 680 N LEU A 43 48.780 41.219 24.612 1.00 0.00 N ATOM 681 CA LEU A 43 47.679 42.011 25.121 1.00 0.00 C ATOM 682 C LEU A 43 46.978 41.317 26.292 1.00 0.00 C ATOM 683 O LEU A 43 46.675 40.128 26.218 1.00 0.00 O ATOM 684 CB LEU A 43 46.755 42.346 23.955 1.00 0.00 C ATOM 685 CG LEU A 43 45.816 43.530 24.169 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.542 44.867 24.287 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.889 43.634 22.961 1.00 0.00 C ATOM 0 H LEU A 43 48.500 40.290 24.296 1.00 0.00 H new ATOM 0 HA LEU A 43 48.044 42.948 25.543 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.368 42.547 23.077 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.153 41.466 23.729 1.00 0.00 H new ATOM 0 HG LEU A 43 45.287 43.346 25.104 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.814 45.664 24.438 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.227 44.836 25.135 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.105 45.057 23.373 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.209 44.476 23.095 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.482 43.787 22.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.313 42.714 22.864 1.00 0.00 H new ATOM 699 N ILE A 44 46.753 42.051 27.377 1.00 0.00 N ATOM 700 CA ILE A 44 46.275 41.579 28.661 1.00 0.00 C ATOM 701 C ILE A 44 45.004 42.335 29.057 1.00 0.00 C ATOM 702 O ILE A 44 44.940 43.552 28.898 1.00 0.00 O ATOM 703 CB ILE A 44 47.355 41.770 29.722 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.771 41.339 29.347 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.958 41.143 31.055 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.976 39.866 29.008 1.00 0.00 C ATOM 0 H ILE A 44 46.912 43.059 27.377 1.00 0.00 H new ATOM 0 HA ILE A 44 46.042 40.517 28.585 1.00 0.00 H new ATOM 0 HB ILE A 44 47.409 42.855 29.811 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.091 41.932 28.490 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.433 41.592 30.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.754 41.301 31.783 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.039 41.606 31.415 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.797 40.073 30.920 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.023 39.692 28.760 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.700 39.253 29.866 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.352 39.599 28.155 1.00 0.00 H new ATOM 718 N PHE A 45 44.013 41.644 29.613 1.00 0.00 N ATOM 719 CA PHE A 45 42.836 42.253 30.200 1.00 0.00 C ATOM 720 C PHE A 45 42.333 41.491 31.428 1.00 0.00 C ATOM 721 O PHE A 45 42.147 40.277 31.381 1.00 0.00 O ATOM 722 CB PHE A 45 41.731 42.384 29.157 1.00 0.00 C ATOM 723 CG PHE A 45 40.447 42.999 29.660 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.439 44.311 30.150 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.259 42.259 29.663 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.260 44.875 30.652 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.075 42.825 30.150 1.00 0.00 C ATOM 728 CZ PHE A 45 38.073 44.134 30.650 1.00 0.00 C ATOM 0 H PHE A 45 44.011 40.625 29.666 1.00 0.00 H new ATOM 0 HA PHE A 45 43.124 43.247 30.542 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.104 42.986 28.328 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.510 41.394 28.758 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.349 44.892 30.141 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.256 41.246 29.288 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.267 45.882 31.041 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.160 42.251 30.140 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.161 44.568 31.032 1.00 0.00 H new ATOM 738 N ALA A 46 42.067 42.206 32.517 1.00 0.00 N ATOM 739 CA ALA A 46 41.701 41.648 33.805 1.00 0.00 C ATOM 740 C ALA A 46 42.645 40.533 34.255 1.00 0.00 C ATOM 741 O ALA A 46 42.240 39.406 34.534 1.00 0.00 O ATOM 742 CB ALA A 46 40.212 41.312 33.810 1.00 0.00 C ATOM 0 H ALA A 46 42.103 43.225 32.522 1.00 0.00 H new ATOM 0 HA ALA A 46 41.841 42.395 34.586 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.937 40.893 34.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.634 42.218 33.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.000 40.585 33.026 1.00 0.00 H new ATOM 748 N GLY A 47 43.940 40.833 34.251 1.00 0.00 N ATOM 749 CA GLY A 47 45.027 39.988 34.707 1.00 0.00 C ATOM 750 C GLY A 47 45.493 38.894 33.744 1.00 0.00 C ATOM 751 O GLY A 47 46.654 38.496 33.825 1.00 0.00 O ATOM 0 H GLY A 47 44.275 41.733 33.906 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.881 40.625 34.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.722 39.514 35.640 1.00 0.00 H new ATOM 755 N LYS A 48 44.650 38.433 32.826 1.00 0.00 N ATOM 756 CA LYS A 48 44.923 37.338 31.917 1.00 0.00 C ATOM 757 C LYS A 48 45.249 37.761 30.483 1.00 0.00 C ATOM 758 O LYS A 48 44.817 38.809 30.008 1.00 0.00 O ATOM 759 CB LYS A 48 43.879 36.232 32.024 1.00 0.00 C ATOM 760 CG LYS A 48 42.405 36.607 31.908 1.00 0.00 C ATOM 761 CD LYS A 48 41.956 37.088 30.530 1.00 0.00 C ATOM 762 CE LYS A 48 40.457 37.360 30.463 1.00 0.00 C ATOM 763 NZ LYS A 48 40.026 38.327 31.486 1.00 0.00 N ATOM 0 H LYS A 48 43.721 38.832 32.694 1.00 0.00 H new ATOM 0 HA LYS A 48 45.862 36.902 32.258 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.095 35.496 31.250 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.020 35.735 32.984 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.805 35.740 32.185 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.189 37.390 32.635 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.498 37.998 30.272 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.219 36.338 29.784 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.201 37.740 29.474 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.913 36.425 30.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.096 38.714 31.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.958 37.850 32.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.719 39.100 31.546 1.00 0.00 H new ATOM 777 N GLN A 49 46.020 36.924 29.794 1.00 0.00 N ATOM 778 CA GLN A 49 46.440 37.130 28.423 1.00 0.00 C ATOM 779 C GLN A 49 45.299 36.884 27.433 1.00 0.00 C ATOM 780 O GLN A 49 44.429 36.050 27.674 1.00 0.00 O ATOM 781 CB GLN A 49 47.674 36.270 28.163 1.00 0.00 C ATOM 782 CG GLN A 49 48.345 36.472 26.808 1.00 0.00 C ATOM 783 CD GLN A 49 49.679 35.732 26.693 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.358 35.433 27.674 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.126 35.375 25.493 1.00 0.00 N ATOM 0 H GLN A 49 46.378 36.057 30.194 1.00 0.00 H new ATOM 0 HA GLN A 49 46.713 38.174 28.267 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.406 36.472 28.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.390 35.222 28.255 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.675 36.128 26.020 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.510 37.537 26.644 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.588 35.607 24.658 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.007 34.869 25.407 1.00 0.00 H new ATOM 794 N LEU A 50 45.300 37.613 26.321 1.00 0.00 N ATOM 795 CA LEU A 50 44.325 37.520 25.254 1.00 0.00 C ATOM 796 C LEU A 50 44.890 36.819 24.017 1.00 0.00 C ATOM 797 O LEU A 50 46.072 36.951 23.708 1.00 0.00 O ATOM 798 CB LEU A 50 43.811 38.914 24.904 1.00 0.00 C ATOM 799 CG LEU A 50 43.234 39.723 26.062 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.706 41.053 25.532 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.089 38.990 26.757 1.00 0.00 C ATOM 0 H LEU A 50 46.016 38.315 26.137 1.00 0.00 H new ATOM 0 HA LEU A 50 43.495 36.909 25.608 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.630 39.482 24.463 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.043 38.815 24.137 1.00 0.00 H new ATOM 0 HG LEU A 50 44.033 39.877 26.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.293 41.635 26.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.521 41.609 25.068 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.927 40.867 24.793 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.708 39.602 27.575 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.289 38.803 26.041 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.451 38.041 27.152 1.00 0.00 H new ATOM 813 N GLU A 51 44.026 36.111 23.295 1.00 0.00 N ATOM 814 CA GLU A 51 44.304 35.388 22.069 1.00 0.00 C ATOM 815 C GLU A 51 43.733 36.099 20.841 1.00 0.00 C ATOM 816 O GLU A 51 42.647 36.672 20.892 1.00 0.00 O ATOM 817 CB GLU A 51 43.770 33.962 22.166 1.00 0.00 C ATOM 818 CG GLU A 51 44.394 33.172 23.313 1.00 0.00 C ATOM 819 CD GLU A 51 43.890 31.728 23.343 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.695 31.502 23.633 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.686 30.798 23.094 1.00 0.00 O ATOM 0 H GLU A 51 43.049 36.025 23.574 1.00 0.00 H new ATOM 0 HA GLU A 51 45.386 35.354 21.943 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.688 33.992 22.298 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.962 33.443 21.227 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.479 33.177 23.211 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.161 33.659 24.260 1.00 0.00 H new ATOM 828 N ASP A 52 44.448 36.018 19.722 1.00 0.00 N ATOM 829 CA ASP A 52 44.254 36.794 18.514 1.00 0.00 C ATOM 830 C ASP A 52 42.889 36.631 17.843 1.00 0.00 C ATOM 831 O ASP A 52 42.302 37.620 17.410 1.00 0.00 O ATOM 832 CB ASP A 52 45.361 36.453 17.522 1.00 0.00 C ATOM 833 CG ASP A 52 46.596 37.346 17.663 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.128 37.803 16.629 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.082 37.552 18.797 1.00 0.00 O ATOM 0 H ASP A 52 45.227 35.365 19.636 1.00 0.00 H new ATOM 0 HA ASP A 52 44.293 37.839 18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.656 35.413 17.660 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.971 36.542 16.508 1.00 0.00 H new ATOM 840 N GLY A 53 42.381 35.407 17.721 1.00 0.00 N ATOM 841 CA GLY A 53 41.227 35.087 16.905 1.00 0.00 C ATOM 842 C GLY A 53 39.857 35.354 17.534 1.00 0.00 C ATOM 843 O GLY A 53 38.853 35.250 16.832 1.00 0.00 O ATOM 0 H GLY A 53 42.774 34.597 18.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.295 35.656 15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.280 34.032 16.636 1.00 0.00 H new ATOM 847 N ARG A 54 39.805 35.688 18.820 1.00 0.00 N ATOM 848 CA ARG A 54 38.580 35.914 19.559 1.00 0.00 C ATOM 849 C ARG A 54 38.194 37.395 19.581 1.00 0.00 C ATOM 850 O ARG A 54 39.042 38.257 19.365 1.00 0.00 O ATOM 851 CB ARG A 54 38.643 35.340 20.972 1.00 0.00 C ATOM 852 CG ARG A 54 39.269 33.952 21.055 1.00 0.00 C ATOM 853 CD ARG A 54 39.123 33.346 22.448 1.00 0.00 C ATOM 854 NE ARG A 54 39.990 32.176 22.594 1.00 0.00 N ATOM 855 CZ ARG A 54 39.871 30.995 21.974 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.787 30.662 21.257 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.883 30.121 22.053 1.00 0.00 N ATOM 0 H ARG A 54 40.643 35.811 19.388 1.00 0.00 H new ATOM 0 HA ARG A 54 37.795 35.376 19.028 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.212 36.022 21.604 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.633 35.296 21.380 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.798 33.297 20.322 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.326 34.014 20.795 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.377 34.090 23.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.085 33.060 22.619 1.00 0.00 H new ATOM 0 HE ARG A 54 40.773 32.271 23.241 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.012 31.320 21.168 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.737 29.751 20.801 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.724 30.361 22.578 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.813 29.216 21.588 1.00 0.00 H new ATOM 871 N THR A 55 36.922 37.680 19.846 1.00 0.00 N ATOM 872 CA THR A 55 36.356 39.013 19.795 1.00 0.00 C ATOM 873 C THR A 55 36.319 39.708 21.157 1.00 0.00 C ATOM 874 O THR A 55 36.415 39.056 22.193 1.00 0.00 O ATOM 875 CB THR A 55 34.973 39.020 19.151 1.00 0.00 C ATOM 876 OG1 THR A 55 34.012 38.382 19.961 1.00 0.00 O ATOM 877 CG2 THR A 55 34.940 38.325 17.792 1.00 0.00 C ATOM 0 H THR A 55 36.243 36.966 20.109 1.00 0.00 H new ATOM 0 HA THR A 55 37.032 39.590 19.164 1.00 0.00 H new ATOM 0 HB THR A 55 34.738 40.077 19.027 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.173 37.415 19.960 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.929 38.365 17.388 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.624 38.829 17.109 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.244 37.285 17.908 1.00 0.00 H new ATOM 885 N LEU A 56 36.151 41.028 21.184 1.00 0.00 N ATOM 886 CA LEU A 56 36.117 41.793 22.415 1.00 0.00 C ATOM 887 C LEU A 56 35.022 41.334 23.380 1.00 0.00 C ATOM 888 O LEU A 56 35.254 41.272 24.586 1.00 0.00 O ATOM 889 CB LEU A 56 35.966 43.281 22.115 1.00 0.00 C ATOM 890 CG LEU A 56 36.959 43.901 21.135 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.893 45.422 21.225 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.411 43.493 21.369 1.00 0.00 C ATOM 0 H LEU A 56 36.034 41.595 20.344 1.00 0.00 H new ATOM 0 HA LEU A 56 37.069 41.615 22.915 1.00 0.00 H new ATOM 0 HB2 LEU A 56 34.961 43.447 21.727 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.038 43.824 23.057 1.00 0.00 H new ATOM 0 HG LEU A 56 36.663 43.529 20.154 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.604 45.859 20.524 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.886 45.758 20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.142 45.738 22.238 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.049 43.978 20.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.718 43.798 22.369 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.505 42.411 21.275 1.00 0.00 H new ATOM 904 N SER A 57 33.857 40.957 22.862 1.00 0.00 N ATOM 905 CA SER A 57 32.765 40.412 23.644 1.00 0.00 C ATOM 906 C SER A 57 33.088 39.056 24.274 1.00 0.00 C ATOM 907 O SER A 57 32.646 38.791 25.389 1.00 0.00 O ATOM 908 CB SER A 57 31.498 40.326 22.798 1.00 0.00 C ATOM 909 OG SER A 57 31.617 39.358 21.780 1.00 0.00 O ATOM 0 H SER A 57 33.647 41.025 21.866 1.00 0.00 H new ATOM 0 HA SER A 57 32.602 41.101 24.473 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.650 40.080 23.437 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.291 41.299 22.353 1.00 0.00 H new ATOM 0 HG SER A 57 32.558 39.267 21.523 1.00 0.00 H new ATOM 915 N ASP A 58 33.907 38.227 23.633 1.00 0.00 N ATOM 916 CA ASP A 58 34.348 36.952 24.163 1.00 0.00 C ATOM 917 C ASP A 58 35.229 37.084 25.406 1.00 0.00 C ATOM 918 O ASP A 58 35.436 36.109 26.125 1.00 0.00 O ATOM 919 CB ASP A 58 35.080 36.133 23.104 1.00 0.00 C ATOM 920 CG ASP A 58 34.240 35.835 21.861 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.067 35.427 22.002 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.760 36.000 20.737 1.00 0.00 O ATOM 0 H ASP A 58 34.288 38.433 22.710 1.00 0.00 H new ATOM 0 HA ASP A 58 33.438 36.432 24.462 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.980 36.669 22.802 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.403 35.191 23.547 1.00 0.00 H new ATOM 927 N TYR A 59 35.709 38.291 25.693 1.00 0.00 N ATOM 928 CA TYR A 59 36.444 38.655 26.889 1.00 0.00 C ATOM 929 C TYR A 59 35.692 39.628 27.798 1.00 0.00 C ATOM 930 O TYR A 59 36.264 40.084 28.785 1.00 0.00 O ATOM 931 CB TYR A 59 37.801 39.228 26.490 1.00 0.00 C ATOM 932 CG TYR A 59 38.638 38.348 25.592 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.944 38.765 24.290 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.133 37.130 26.071 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.781 37.991 23.479 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.975 36.349 25.270 1.00 0.00 C ATOM 937 CZ TYR A 59 40.317 36.787 23.976 1.00 0.00 C ATOM 938 OH TYR A 59 41.174 36.049 23.212 1.00 0.00 O ATOM 0 H TYR A 59 35.586 39.081 25.059 1.00 0.00 H new ATOM 0 HA TYR A 59 36.575 37.746 27.476 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.640 40.182 25.988 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.369 39.437 27.397 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.532 39.688 23.911 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.865 36.792 27.061 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.015 38.315 22.476 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.361 35.412 25.644 1.00 0.00 H new ATOM 0 HH TYR A 59 41.493 36.592 22.461 1.00 0.00 H new ATOM 948 N ASN A 60 34.441 39.970 27.499 1.00 0.00 N ATOM 949 CA ASN A 60 33.671 40.987 28.186 1.00 0.00 C ATOM 950 C ASN A 60 34.358 42.352 28.265 1.00 0.00 C ATOM 951 O ASN A 60 34.273 43.039 29.281 1.00 0.00 O ATOM 952 CB ASN A 60 33.153 40.450 29.516 1.00 0.00 C ATOM 953 CG ASN A 60 32.138 39.316 29.353 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.283 39.327 28.472 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.163 38.328 30.243 1.00 0.00 N ATOM 0 H ASN A 60 33.922 39.525 26.742 1.00 0.00 H new ATOM 0 HA ASN A 60 32.797 41.208 27.573 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.995 40.093 30.109 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.692 41.264 30.075 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.472 37.579 30.194 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.873 38.319 30.975 1.00 0.00 H new ATOM 962 N ILE A 61 35.028 42.776 27.196 1.00 0.00 N ATOM 963 CA ILE A 61 35.571 44.114 27.069 1.00 0.00 C ATOM 964 C ILE A 61 34.436 45.082 26.728 1.00 0.00 C ATOM 965 O ILE A 61 33.564 44.776 25.920 1.00 0.00 O ATOM 966 CB ILE A 61 36.719 44.132 26.063 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.917 43.350 26.593 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.144 45.548 25.683 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.923 42.948 25.517 1.00 0.00 C ATOM 0 H ILE A 61 35.208 42.185 26.384 1.00 0.00 H new ATOM 0 HA ILE A 61 36.004 44.445 28.013 1.00 0.00 H new ATOM 0 HB ILE A 61 36.347 43.651 25.159 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.427 43.952 27.345 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.558 42.451 27.094 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.963 45.502 24.965 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.300 46.074 25.237 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.473 46.081 26.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.744 42.396 25.975 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.431 42.318 24.776 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.313 43.842 25.031 1.00 0.00 H new ATOM 981 N GLN A 62 34.451 46.261 27.343 1.00 0.00 N ATOM 982 CA GLN A 62 33.415 47.270 27.260 1.00 0.00 C ATOM 983 C GLN A 62 34.009 48.672 27.112 1.00 0.00 C ATOM 984 O GLN A 62 35.206 48.860 27.315 1.00 0.00 O ATOM 985 CB GLN A 62 32.537 47.206 28.506 1.00 0.00 C ATOM 986 CG GLN A 62 31.867 45.855 28.745 1.00 0.00 C ATOM 987 CD GLN A 62 30.872 45.904 29.906 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.218 46.169 31.055 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.593 45.647 29.652 1.00 0.00 N ATOM 0 H GLN A 62 35.227 46.547 27.941 1.00 0.00 H new ATOM 0 HA GLN A 62 32.813 47.067 26.374 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.145 47.454 29.376 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.764 47.971 28.429 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.350 45.542 27.838 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.629 45.104 28.953 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.296 45.426 28.701 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.908 45.671 30.408 1.00 0.00 H new ATOM 998 N LYS A 63 33.191 49.672 26.797 1.00 0.00 N ATOM 999 CA LYS A 63 33.605 51.055 26.666 1.00 0.00 C ATOM 1000 C LYS A 63 34.406 51.572 27.863 1.00 0.00 C ATOM 1001 O LYS A 63 34.100 51.274 29.015 1.00 0.00 O ATOM 1002 CB LYS A 63 32.409 51.947 26.344 1.00 0.00 C ATOM 1003 CG LYS A 63 31.403 52.115 27.479 1.00 0.00 C ATOM 1004 CD LYS A 63 30.126 52.786 26.980 1.00 0.00 C ATOM 1005 CE LYS A 63 29.057 52.878 28.065 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.254 54.023 28.968 1.00 0.00 N ATOM 0 H LYS A 63 32.196 49.533 26.622 1.00 0.00 H new ATOM 0 HA LYS A 63 34.298 51.095 25.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.777 52.932 26.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.891 51.535 25.478 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.164 51.141 27.906 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.845 52.712 28.276 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.362 53.787 26.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.732 52.226 26.132 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.076 52.956 27.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.059 51.957 28.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.499 54.035 29.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.177 53.938 29.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.225 54.906 28.420 1.00 0.00 H new ATOM 1020 N GLU A 64 35.460 52.334 27.580 1.00 0.00 N ATOM 1021 CA GLU A 64 36.403 52.916 28.515 1.00 0.00 C ATOM 1022 C GLU A 64 37.218 51.926 29.349 1.00 0.00 C ATOM 1023 O GLU A 64 37.955 52.340 30.241 1.00 0.00 O ATOM 1024 CB GLU A 64 35.745 54.022 29.335 1.00 0.00 C ATOM 1025 CG GLU A 64 35.172 55.140 28.468 1.00 0.00 C ATOM 1026 CD GLU A 64 34.396 56.150 29.318 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.847 57.304 29.478 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.292 55.817 29.800 1.00 0.00 O ATOM 0 H GLU A 64 35.689 52.575 26.616 1.00 0.00 H new ATOM 0 HA GLU A 64 37.177 53.373 27.898 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.947 53.593 29.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.478 54.442 30.024 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.980 55.647 27.941 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.514 54.716 27.709 1.00 0.00 H new ATOM 1035 N SER A 65 37.169 50.630 29.051 1.00 0.00 N ATOM 1036 CA SER A 65 38.058 49.650 29.638 1.00 0.00 C ATOM 1037 C SER A 65 39.509 49.864 29.201 1.00 0.00 C ATOM 1038 O SER A 65 39.754 50.258 28.063 1.00 0.00 O ATOM 1039 CB SER A 65 37.659 48.221 29.276 1.00 0.00 C ATOM 1040 OG SER A 65 36.294 47.984 29.536 1.00 0.00 O ATOM 0 H SER A 65 36.502 50.234 28.388 1.00 0.00 H new ATOM 0 HA SER A 65 37.974 49.788 30.716 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.866 48.040 28.221 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.266 47.517 29.845 1.00 0.00 H new ATOM 0 HG SER A 65 35.755 48.333 28.796 1.00 0.00 H new ATOM 1046 N THR A 66 40.464 49.553 30.073 1.00 0.00 N ATOM 1047 CA THR A 66 41.884 49.616 29.791 1.00 0.00 C ATOM 1048 C THR A 66 42.472 48.213 29.621 1.00 0.00 C ATOM 1049 O THR A 66 42.457 47.396 30.538 1.00 0.00 O ATOM 1050 CB THR A 66 42.645 50.401 30.856 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.176 51.730 30.889 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.141 50.502 30.571 1.00 0.00 C ATOM 0 H THR A 66 40.259 49.241 31.022 1.00 0.00 H new ATOM 0 HA THR A 66 42.001 50.153 28.850 1.00 0.00 H new ATOM 0 HB THR A 66 42.483 49.864 31.791 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.664 52.232 31.574 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.625 51.072 31.364 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.572 49.502 30.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.296 51.005 29.617 1.00 0.00 H new ATOM 1060 N LEU A 67 43.047 47.959 28.449 1.00 0.00 N ATOM 1061 CA LEU A 67 43.870 46.802 28.157 1.00 0.00 C ATOM 1062 C LEU A 67 45.327 47.144 28.475 1.00 0.00 C ATOM 1063 O LEU A 67 45.723 48.299 28.340 1.00 0.00 O ATOM 1064 CB LEU A 67 43.699 46.368 26.704 1.00 0.00 C ATOM 1065 CG LEU A 67 42.292 46.444 26.119 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.300 45.942 24.679 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.254 45.624 26.881 1.00 0.00 C ATOM 0 H LEU A 67 42.945 48.582 27.648 1.00 0.00 H new ATOM 0 HA LEU A 67 43.559 45.961 28.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.356 46.982 26.088 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.048 45.339 26.615 1.00 0.00 H new ATOM 0 HG LEU A 67 42.008 47.494 26.190 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.292 45.999 24.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.971 46.560 24.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.643 44.908 24.656 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.281 45.732 26.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.546 44.574 26.877 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.193 45.980 27.909 1.00 0.00 H new ATOM 1079 N HIS A 68 46.155 46.180 28.870 1.00 0.00 N ATOM 1080 CA HIS A 68 47.577 46.381 29.057 1.00 0.00 C ATOM 1081 C HIS A 68 48.355 45.719 27.918 1.00 0.00 C ATOM 1082 O HIS A 68 48.106 44.566 27.574 1.00 0.00 O ATOM 1083 CB HIS A 68 48.033 45.897 30.430 1.00 0.00 C ATOM 1084 CG HIS A 68 47.612 46.758 31.590 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.491 47.344 32.501 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.330 46.958 32.032 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.735 47.894 33.453 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.432 47.679 33.205 1.00 0.00 N ATOM 0 H HIS A 68 45.847 45.228 29.070 1.00 0.00 H new ATOM 0 HA HIS A 68 47.787 47.450 29.025 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.647 44.890 30.588 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.121 45.825 30.429 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.421 46.619 31.557 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.117 48.437 34.305 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.653 47.994 33.783 1.00 0.00 H new ATOM 1096 N LEU A 69 49.296 46.455 27.332 1.00 0.00 N ATOM 1097 CA LEU A 69 50.126 46.055 26.214 1.00 0.00 C ATOM 1098 C LEU A 69 51.559 45.810 26.691 1.00 0.00 C ATOM 1099 O LEU A 69 52.201 46.719 27.212 1.00 0.00 O ATOM 1100 CB LEU A 69 50.030 47.137 25.141 1.00 0.00 C ATOM 1101 CG LEU A 69 51.018 47.039 23.982 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.907 45.729 23.208 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.774 48.182 23.002 1.00 0.00 C ATOM 0 H LEU A 69 49.507 47.401 27.649 1.00 0.00 H new ATOM 0 HA LEU A 69 49.783 45.116 25.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.020 47.121 24.730 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.163 48.106 25.622 1.00 0.00 H new ATOM 0 HG LEU A 69 52.013 47.090 24.423 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.636 45.722 22.398 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.102 44.892 23.879 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.903 45.635 22.794 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.481 48.110 22.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.757 48.119 22.616 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.910 49.135 23.513 1.00 0.00 H new ATOM 1115 N VAL A 70 52.066 44.601 26.470 1.00 0.00 N ATOM 1116 CA VAL A 70 53.412 44.182 26.807 1.00 0.00 C ATOM 1117 C VAL A 70 54.179 43.871 25.520 1.00 0.00 C ATOM 1118 O VAL A 70 53.681 43.154 24.655 1.00 0.00 O ATOM 1119 CB VAL A 70 53.397 42.993 27.764 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.810 42.605 28.188 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.596 43.290 29.029 1.00 0.00 C ATOM 0 H VAL A 70 51.522 43.858 26.032 1.00 0.00 H new ATOM 0 HA VAL A 70 53.923 44.992 27.329 1.00 0.00 H new ATOM 0 HB VAL A 70 52.929 42.174 27.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.765 41.755 28.869 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.393 42.334 27.308 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.284 43.448 28.691 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.611 42.418 29.682 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.038 44.140 29.548 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.566 43.525 28.761 1.00 0.00 H new