USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 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 60 ASN : amide:sc= 0.639 K(o=1.4,f=-0.22) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.809 K(o=1.4,f=-0.22) USER MOD Set 2.1: A 55 THR OG1 : rot -49:sc= 2.04 USER MOD Set 2.2: A 57 SER OG : rot -34:sc= 0.824 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.26 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc=-0.00397 (180deg=-0.104) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00528 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.08! K(o=-1.1!,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.43 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.19) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= 1.5 K(o=1.5,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=-3.5!) USER MOD Single : A 59 TYR OH : rot 151:sc= 0.0489 USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0.874 (180deg=0.446) USER MOD Single : A 65 SER OG : rot 86:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0365 X(o=-0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.845 51.596 19.957 1.00 0.00 N ATOM 2 CA MET A 1 33.215 51.943 21.338 1.00 0.00 C ATOM 3 C MET A 1 34.664 52.428 21.401 1.00 0.00 C ATOM 4 O MET A 1 35.515 51.932 20.665 1.00 0.00 O ATOM 5 CB MET A 1 32.961 50.813 22.331 1.00 0.00 C ATOM 6 CG MET A 1 33.847 49.579 22.180 1.00 0.00 C ATOM 7 SD MET A 1 33.486 48.291 23.399 1.00 0.00 S ATOM 8 CE MET A 1 34.762 47.081 22.971 1.00 0.00 C ATOM 0 H1 MET A 1 31.828 51.383 19.913 1.00 0.00 H new ATOM 0 H2 MET A 1 33.058 52.397 19.329 1.00 0.00 H new ATOM 0 H3 MET A 1 33.387 50.762 19.651 1.00 0.00 H new ATOM 0 HA MET A 1 32.560 52.759 21.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.089 51.206 23.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.920 50.502 22.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.720 49.168 21.178 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.892 49.876 22.273 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.681 46.218 23.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.628 46.761 21.938 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.747 47.534 23.086 1.00 0.00 H new ATOM 20 N GLN A 2 34.947 53.353 22.313 1.00 0.00 N ATOM 21 CA GLN A 2 36.287 53.753 22.696 1.00 0.00 C ATOM 22 C GLN A 2 36.899 52.716 23.639 1.00 0.00 C ATOM 23 O GLN A 2 36.218 52.230 24.539 1.00 0.00 O ATOM 24 CB GLN A 2 36.193 55.124 23.358 1.00 0.00 C ATOM 25 CG GLN A 2 37.519 55.720 23.823 1.00 0.00 C ATOM 26 CD GLN A 2 37.304 57.090 24.471 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.715 57.217 25.542 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.731 58.178 23.834 1.00 0.00 N ATOM 0 H GLN A 2 34.221 53.859 22.820 1.00 0.00 H new ATOM 0 HA GLN A 2 36.937 53.814 21.823 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.730 55.817 22.655 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.527 55.049 24.218 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.995 55.047 24.536 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.196 55.817 22.975 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.221 58.088 22.944 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.568 59.101 24.236 1.00 0.00 H new ATOM 37 N ILE A 3 38.193 52.437 23.498 1.00 0.00 N ATOM 38 CA ILE A 3 39.003 51.782 24.505 1.00 0.00 C ATOM 39 C ILE A 3 40.309 52.544 24.740 1.00 0.00 C ATOM 40 O ILE A 3 40.740 53.323 23.892 1.00 0.00 O ATOM 41 CB ILE A 3 39.273 50.312 24.196 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.033 50.121 22.886 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.981 49.502 24.250 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.592 48.716 22.679 1.00 0.00 C ATOM 0 H ILE A 3 38.715 52.670 22.653 1.00 0.00 H new ATOM 0 HA ILE A 3 38.420 51.798 25.426 1.00 0.00 H new ATOM 0 HB ILE A 3 39.932 49.927 24.974 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.368 50.360 22.056 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.856 50.835 22.850 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.197 48.457 24.027 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.546 49.578 25.246 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.276 49.892 23.516 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.116 48.670 21.724 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.285 48.478 23.486 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.774 47.995 22.679 1.00 0.00 H new ATOM 56 N PHE A 4 40.964 52.267 25.864 1.00 0.00 N ATOM 57 CA PHE A 4 42.285 52.759 26.199 1.00 0.00 C ATOM 58 C PHE A 4 43.291 51.607 26.221 1.00 0.00 C ATOM 59 O PHE A 4 42.992 50.534 26.737 1.00 0.00 O ATOM 60 CB PHE A 4 42.239 53.465 27.551 1.00 0.00 C ATOM 61 CG PHE A 4 41.345 54.679 27.628 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.796 55.921 27.162 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.071 54.575 28.200 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.981 57.053 27.275 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.255 55.707 28.314 1.00 0.00 C ATOM 66 CZ PHE A 4 39.708 56.948 27.850 1.00 0.00 C ATOM 0 H PHE A 4 40.569 51.670 26.590 1.00 0.00 H new ATOM 0 HA PHE A 4 42.607 53.473 25.441 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.911 52.748 28.303 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.252 53.766 27.817 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.775 56.005 26.714 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.717 53.618 28.554 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.334 58.009 26.918 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.275 55.623 28.760 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.078 57.821 27.935 1.00 0.00 H new ATOM 76 N VAL A 5 44.498 51.823 25.706 1.00 0.00 N ATOM 77 CA VAL A 5 45.589 50.872 25.774 1.00 0.00 C ATOM 78 C VAL A 5 46.815 51.534 26.407 1.00 0.00 C ATOM 79 O VAL A 5 47.230 52.607 25.976 1.00 0.00 O ATOM 80 CB VAL A 5 45.917 50.266 24.412 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.988 49.186 24.532 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.697 49.635 23.746 1.00 0.00 C ATOM 0 H VAL A 5 44.744 52.685 25.220 1.00 0.00 H new ATOM 0 HA VAL A 5 45.273 50.041 26.405 1.00 0.00 H new ATOM 0 HB VAL A 5 46.274 51.095 23.800 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.200 48.773 23.546 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.898 49.620 24.947 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.632 48.392 25.189 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.984 49.219 22.780 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.306 48.841 24.382 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.929 50.394 23.600 1.00 0.00 H new ATOM 92 N LYS A 6 47.379 50.908 27.436 1.00 0.00 N ATOM 93 CA LYS A 6 48.445 51.438 28.260 1.00 0.00 C ATOM 94 C LYS A 6 49.767 50.700 28.040 1.00 0.00 C ATOM 95 O LYS A 6 49.819 49.476 28.137 1.00 0.00 O ATOM 96 CB LYS A 6 47.973 51.418 29.711 1.00 0.00 C ATOM 97 CG LYS A 6 48.930 52.142 30.654 1.00 0.00 C ATOM 98 CD LYS A 6 48.274 52.328 32.020 1.00 0.00 C ATOM 99 CE LYS A 6 49.236 52.998 32.998 1.00 0.00 C ATOM 100 NZ LYS A 6 48.581 53.251 34.291 1.00 0.00 N ATOM 0 H LYS A 6 47.087 49.975 27.726 1.00 0.00 H new ATOM 0 HA LYS A 6 48.662 52.468 27.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.988 51.881 29.774 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.861 50.384 30.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.852 51.571 30.759 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.201 53.112 30.236 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.374 52.934 31.916 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.964 51.360 32.414 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.110 52.363 33.147 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.593 53.938 32.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.255 53.707 34.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.762 53.875 34.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.263 52.350 34.701 1.00 0.00 H new ATOM 168 N LYS A 11 52.085 55.307 29.401 1.00 0.00 N ATOM 169 CA LYS A 11 51.403 56.210 28.496 1.00 0.00 C ATOM 170 C LYS A 11 50.185 55.508 27.892 1.00 0.00 C ATOM 171 O LYS A 11 50.239 54.307 27.634 1.00 0.00 O ATOM 172 CB LYS A 11 52.407 56.714 27.463 1.00 0.00 C ATOM 173 CG LYS A 11 51.854 57.839 26.593 1.00 0.00 C ATOM 174 CD LYS A 11 52.954 58.459 25.736 1.00 0.00 C ATOM 175 CE LYS A 11 52.444 59.463 24.707 1.00 0.00 C ATOM 176 NZ LYS A 11 51.581 58.834 23.696 1.00 0.00 N ATOM 0 HA LYS A 11 51.016 57.086 29.017 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.302 57.066 27.976 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.711 55.884 26.825 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.063 57.452 25.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.405 58.605 27.225 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.673 58.955 26.388 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.490 57.663 25.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.889 60.252 25.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.292 59.937 24.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.410 59.504 22.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.048 57.983 23.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.674 58.569 24.130 1.00 0.00 H new ATOM 190 N THR A 12 49.095 56.238 27.672 1.00 0.00 N ATOM 191 CA THR A 12 47.804 55.661 27.358 1.00 0.00 C ATOM 192 C THR A 12 47.237 56.216 26.051 1.00 0.00 C ATOM 193 O THR A 12 46.900 57.395 25.972 1.00 0.00 O ATOM 194 CB THR A 12 46.845 55.845 28.531 1.00 0.00 C ATOM 195 OG1 THR A 12 47.387 55.243 29.685 1.00 0.00 O ATOM 196 CG2 THR A 12 45.494 55.174 28.300 1.00 0.00 C ATOM 0 H THR A 12 49.090 57.257 27.709 1.00 0.00 H new ATOM 0 HA THR A 12 47.935 54.591 27.200 1.00 0.00 H new ATOM 0 HB THR A 12 46.706 56.920 28.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.771 55.364 30.437 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.853 55.338 29.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.023 55.600 27.414 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.640 54.104 28.154 1.00 0.00 H new ATOM 204 N ILE A 13 47.105 55.357 25.044 1.00 0.00 N ATOM 205 CA ILE A 13 46.527 55.660 23.751 1.00 0.00 C ATOM 206 C ILE A 13 45.035 55.322 23.707 1.00 0.00 C ATOM 207 O ILE A 13 44.596 54.362 24.335 1.00 0.00 O ATOM 208 CB ILE A 13 47.291 54.990 22.612 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.272 53.466 22.675 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.719 55.524 22.555 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.933 52.734 21.510 1.00 0.00 C ATOM 0 H ILE A 13 47.414 54.388 25.117 1.00 0.00 H new ATOM 0 HA ILE A 13 46.620 56.736 23.605 1.00 0.00 H new ATOM 0 HB ILE A 13 46.771 55.248 21.690 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.763 53.155 23.597 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.234 53.139 22.740 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.256 55.040 21.739 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.698 56.601 22.387 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.224 55.313 23.498 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.857 51.658 21.666 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.431 53.002 20.580 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.984 53.019 21.450 1.00 0.00 H new ATOM 223 N THR A 14 44.259 56.073 22.930 1.00 0.00 N ATOM 224 CA THR A 14 42.876 55.771 22.622 1.00 0.00 C ATOM 225 C THR A 14 42.735 55.055 21.278 1.00 0.00 C ATOM 226 O THR A 14 43.441 55.380 20.327 1.00 0.00 O ATOM 227 CB THR A 14 41.991 57.014 22.617 1.00 0.00 C ATOM 228 OG1 THR A 14 42.627 58.104 21.986 1.00 0.00 O ATOM 229 CG2 THR A 14 41.634 57.469 24.029 1.00 0.00 C ATOM 0 H THR A 14 44.590 56.931 22.488 1.00 0.00 H new ATOM 0 HA THR A 14 42.539 55.109 23.420 1.00 0.00 H new ATOM 0 HB THR A 14 41.091 56.725 22.073 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.032 58.882 21.999 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.003 58.356 23.977 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.097 56.672 24.543 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.546 57.704 24.577 1.00 0.00 H new ATOM 237 N LEU A 15 41.809 54.102 21.193 1.00 0.00 N ATOM 238 CA LEU A 15 41.431 53.406 19.980 1.00 0.00 C ATOM 239 C LEU A 15 39.910 53.300 19.857 1.00 0.00 C ATOM 240 O LEU A 15 39.211 53.285 20.867 1.00 0.00 O ATOM 241 CB LEU A 15 42.053 52.012 19.958 1.00 0.00 C ATOM 242 CG LEU A 15 43.575 51.932 20.024 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.010 50.476 20.156 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.249 52.490 18.773 1.00 0.00 C ATOM 0 H LEU A 15 41.283 53.785 22.007 1.00 0.00 H new ATOM 0 HA LEU A 15 41.804 53.980 19.131 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.647 51.447 20.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.726 51.510 19.047 1.00 0.00 H new ATOM 0 HG LEU A 15 43.876 52.528 20.886 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.098 50.424 20.203 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.587 50.051 21.066 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.657 49.911 19.293 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.331 52.408 18.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.923 51.924 17.901 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.975 53.538 18.649 1.00 0.00 H new ATOM 256 N GLU A 16 39.405 53.153 18.636 1.00 0.00 N ATOM 257 CA GLU A 16 38.018 52.847 18.349 1.00 0.00 C ATOM 258 C GLU A 16 37.868 51.419 17.820 1.00 0.00 C ATOM 259 O GLU A 16 38.581 51.008 16.907 1.00 0.00 O ATOM 260 CB GLU A 16 37.421 53.856 17.372 1.00 0.00 C ATOM 261 CG GLU A 16 37.261 55.256 17.956 1.00 0.00 C ATOM 262 CD GLU A 16 36.470 56.168 17.015 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.066 57.043 16.351 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.232 56.020 16.936 1.00 0.00 O ATOM 0 H GLU A 16 39.974 53.248 17.795 1.00 0.00 H new ATOM 0 HA GLU A 16 37.463 52.919 19.284 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.056 53.911 16.488 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.446 53.496 17.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.752 55.194 18.918 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.244 55.688 18.143 1.00 0.00 H new ATOM 271 N VAL A 17 36.952 50.655 18.407 1.00 0.00 N ATOM 272 CA VAL A 17 36.751 49.233 18.212 1.00 0.00 C ATOM 273 C VAL A 17 35.274 48.860 18.344 1.00 0.00 C ATOM 274 O VAL A 17 34.469 49.657 18.821 1.00 0.00 O ATOM 275 CB VAL A 17 37.564 48.425 19.220 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.072 48.592 19.062 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.202 48.742 20.668 1.00 0.00 C ATOM 0 H VAL A 17 36.288 51.045 19.076 1.00 0.00 H new ATOM 0 HA VAL A 17 37.088 48.995 17.203 1.00 0.00 H new ATOM 0 HB VAL A 17 37.297 47.393 18.994 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.585 47.989 19.811 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.372 48.266 18.066 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.338 49.641 19.196 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.813 48.136 21.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.385 49.798 20.866 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.149 48.518 20.837 1.00 0.00 H new ATOM 287 N GLU A 18 34.906 47.628 18.007 1.00 0.00 N ATOM 288 CA GLU A 18 33.613 47.046 18.305 1.00 0.00 C ATOM 289 C GLU A 18 33.767 45.791 19.167 1.00 0.00 C ATOM 290 O GLU A 18 34.763 45.088 19.006 1.00 0.00 O ATOM 291 CB GLU A 18 32.877 46.683 17.019 1.00 0.00 C ATOM 292 CG GLU A 18 32.578 47.855 16.088 1.00 0.00 C ATOM 293 CD GLU A 18 31.681 48.912 16.734 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.944 50.120 16.546 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.685 48.549 17.395 1.00 0.00 O ATOM 0 H GLU A 18 35.523 46.991 17.503 1.00 0.00 H new ATOM 0 HA GLU A 18 33.035 47.789 18.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.471 45.949 16.474 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.936 46.199 17.282 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.516 48.319 15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.098 47.481 15.184 1.00 0.00 H new ATOM 302 N PRO A 19 32.813 45.413 20.012 1.00 0.00 N ATOM 303 CA PRO A 19 32.841 44.145 20.711 1.00 0.00 C ATOM 304 C PRO A 19 32.960 42.917 19.806 1.00 0.00 C ATOM 305 O PRO A 19 33.484 41.887 20.227 1.00 0.00 O ATOM 306 CB PRO A 19 31.552 44.097 21.527 1.00 0.00 C ATOM 307 CG PRO A 19 31.254 45.572 21.790 1.00 0.00 C ATOM 308 CD PRO A 19 31.705 46.220 20.484 1.00 0.00 C ATOM 0 HA PRO A 19 33.739 44.098 21.327 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.744 43.614 20.977 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.683 43.540 22.455 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.197 45.746 21.989 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.807 45.954 22.648 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.895 46.238 19.755 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.013 47.253 20.645 1.00 0.00 H new ATOM 316 N SER A 20 32.497 43.021 18.563 1.00 0.00 N ATOM 317 CA SER A 20 32.615 42.022 17.521 1.00 0.00 C ATOM 318 C SER A 20 33.982 41.970 16.836 1.00 0.00 C ATOM 319 O SER A 20 34.217 41.070 16.032 1.00 0.00 O ATOM 320 CB SER A 20 31.524 42.286 16.487 1.00 0.00 C ATOM 321 OG SER A 20 31.668 43.591 15.973 1.00 0.00 O ATOM 0 H SER A 20 32.003 43.854 18.245 1.00 0.00 H new ATOM 0 HA SER A 20 32.501 41.048 17.998 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.589 41.557 15.680 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.541 42.170 16.943 1.00 0.00 H new ATOM 0 HG SER A 20 30.968 43.760 15.308 1.00 0.00 H new ATOM 327 N ASP A 21 34.878 42.918 17.094 1.00 0.00 N ATOM 328 CA ASP A 21 36.171 43.042 16.451 1.00 0.00 C ATOM 329 C ASP A 21 37.214 42.111 17.072 1.00 0.00 C ATOM 330 O ASP A 21 37.179 41.828 18.268 1.00 0.00 O ATOM 331 CB ASP A 21 36.607 44.503 16.509 1.00 0.00 C ATOM 332 CG ASP A 21 37.656 44.900 15.468 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.904 44.142 14.507 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.164 46.040 15.548 1.00 0.00 O ATOM 0 H ASP A 21 34.711 43.648 17.786 1.00 0.00 H new ATOM 0 HA ASP A 21 36.082 42.733 15.409 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.729 45.135 16.379 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.005 44.710 17.503 1.00 0.00 H new ATOM 339 N THR A 22 38.143 41.608 16.265 1.00 0.00 N ATOM 340 CA THR A 22 39.108 40.605 16.669 1.00 0.00 C ATOM 341 C THR A 22 40.337 41.172 17.381 1.00 0.00 C ATOM 342 O THR A 22 40.786 42.280 17.095 1.00 0.00 O ATOM 343 CB THR A 22 39.572 39.702 15.529 1.00 0.00 C ATOM 344 OG1 THR A 22 40.212 40.441 14.513 1.00 0.00 O ATOM 345 CG2 THR A 22 38.425 38.906 14.913 1.00 0.00 C ATOM 0 H THR A 22 38.244 41.896 15.292 1.00 0.00 H new ATOM 0 HA THR A 22 38.545 40.004 17.383 1.00 0.00 H new ATOM 0 HB THR A 22 40.280 39.003 15.973 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.499 39.835 13.799 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.808 38.280 14.107 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.968 38.276 15.676 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.678 39.593 14.515 1.00 0.00 H new ATOM 353 N ILE A 23 40.949 40.378 18.255 1.00 0.00 N ATOM 354 CA ILE A 23 42.142 40.766 18.982 1.00 0.00 C ATOM 355 C ILE A 23 43.327 41.007 18.044 1.00 0.00 C ATOM 356 O ILE A 23 44.080 41.956 18.251 1.00 0.00 O ATOM 357 CB ILE A 23 42.443 39.750 20.081 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.296 39.530 21.064 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.717 40.097 20.846 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.633 40.781 21.632 1.00 0.00 C ATOM 0 H ILE A 23 40.623 39.438 18.477 1.00 0.00 H new ATOM 0 HA ILE A 23 41.958 41.724 19.469 1.00 0.00 H new ATOM 0 HB ILE A 23 42.586 38.810 19.547 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.530 38.935 20.566 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.671 38.935 21.897 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.893 39.348 21.618 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.562 40.114 20.157 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.607 41.077 21.310 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.835 40.491 22.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.374 41.374 22.169 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.216 41.373 20.818 1.00 0.00 H new ATOM 372 N GLU A 24 43.460 40.251 16.957 1.00 0.00 N ATOM 373 CA GLU A 24 44.431 40.538 15.921 1.00 0.00 C ATOM 374 C GLU A 24 44.231 41.915 15.284 1.00 0.00 C ATOM 375 O GLU A 24 45.198 42.656 15.119 1.00 0.00 O ATOM 376 CB GLU A 24 44.408 39.428 14.873 1.00 0.00 C ATOM 377 CG GLU A 24 45.508 39.567 13.825 1.00 0.00 C ATOM 378 CD GLU A 24 45.408 38.471 12.761 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.073 38.775 11.596 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.651 37.287 13.077 1.00 0.00 O ATOM 0 H GLU A 24 42.894 39.422 16.776 1.00 0.00 H new ATOM 0 HA GLU A 24 45.415 40.569 16.388 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.510 38.464 15.372 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.439 39.428 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.438 40.545 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.483 39.517 14.310 1.00 0.00 H new ATOM 387 N ASN A 25 42.996 42.314 14.996 1.00 0.00 N ATOM 388 CA ASN A 25 42.725 43.644 14.485 1.00 0.00 C ATOM 389 C ASN A 25 42.962 44.739 15.526 1.00 0.00 C ATOM 390 O ASN A 25 43.405 45.827 15.166 1.00 0.00 O ATOM 391 CB ASN A 25 41.319 43.706 13.895 1.00 0.00 C ATOM 392 CG ASN A 25 41.112 44.982 13.078 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.928 45.360 12.240 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.008 45.694 13.285 1.00 0.00 N ATOM 0 H ASN A 25 42.168 41.730 15.110 1.00 0.00 H new ATOM 0 HA ASN A 25 43.441 43.842 13.687 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.150 42.835 13.262 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.584 43.663 14.698 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.843 46.547 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.326 45.387 13.979 1.00 0.00 H new ATOM 401 N VAL A 26 42.776 44.469 16.815 1.00 0.00 N ATOM 402 CA VAL A 26 43.178 45.374 17.872 1.00 0.00 C ATOM 403 C VAL A 26 44.698 45.553 17.909 1.00 0.00 C ATOM 404 O VAL A 26 45.164 46.684 18.026 1.00 0.00 O ATOM 405 CB VAL A 26 42.614 44.957 19.226 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.084 45.856 20.367 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.088 45.020 19.216 1.00 0.00 C ATOM 0 H VAL A 26 42.340 43.610 17.151 1.00 0.00 H new ATOM 0 HA VAL A 26 42.747 46.349 17.644 1.00 0.00 H new ATOM 0 HB VAL A 26 42.975 43.942 19.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.650 45.510 21.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.171 45.819 20.435 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.767 46.881 20.177 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.705 44.719 20.191 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.767 46.039 18.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.701 44.347 18.451 1.00 0.00 H new ATOM 417 N LYS A 27 45.487 44.505 17.688 1.00 0.00 N ATOM 418 CA LYS A 27 46.923 44.614 17.530 1.00 0.00 C ATOM 419 C LYS A 27 47.321 45.412 16.287 1.00 0.00 C ATOM 420 O LYS A 27 48.258 46.204 16.356 1.00 0.00 O ATOM 421 CB LYS A 27 47.584 43.238 17.540 1.00 0.00 C ATOM 422 CG LYS A 27 47.486 42.584 18.915 1.00 0.00 C ATOM 423 CD LYS A 27 48.246 41.263 18.976 1.00 0.00 C ATOM 424 CE LYS A 27 48.212 40.718 20.401 1.00 0.00 C ATOM 425 NZ LYS A 27 48.831 39.387 20.484 1.00 0.00 N ATOM 0 H LYS A 27 45.138 43.549 17.614 1.00 0.00 H new ATOM 0 HA LYS A 27 47.290 45.175 18.389 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.108 42.599 16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.632 43.334 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.881 43.265 19.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.438 42.411 19.160 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.800 40.543 18.290 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.278 41.410 18.657 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.734 41.405 21.067 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.179 40.662 20.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.518 38.912 21.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.547 38.820 19.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.866 39.486 20.497 1.00 0.00 H new ATOM 439 N ALA A 28 46.587 45.287 15.185 1.00 0.00 N ATOM 440 CA ALA A 28 46.773 46.116 14.011 1.00 0.00 C ATOM 441 C ALA A 28 46.452 47.588 14.277 1.00 0.00 C ATOM 442 O ALA A 28 47.215 48.461 13.870 1.00 0.00 O ATOM 443 CB ALA A 28 45.948 45.546 12.861 1.00 0.00 C ATOM 0 H ALA A 28 45.841 44.599 15.087 1.00 0.00 H new ATOM 0 HA ALA A 28 47.827 46.096 13.735 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.083 46.165 11.974 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.276 44.529 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.894 45.536 13.139 1.00 0.00 H new ATOM 449 N LYS A 29 45.387 47.871 15.022 1.00 0.00 N ATOM 450 CA LYS A 29 45.005 49.201 15.453 1.00 0.00 C ATOM 451 C LYS A 29 46.034 49.841 16.387 1.00 0.00 C ATOM 452 O LYS A 29 46.215 51.055 16.318 1.00 0.00 O ATOM 453 CB LYS A 29 43.631 49.158 16.116 1.00 0.00 C ATOM 454 CG LYS A 29 42.471 49.027 15.135 1.00 0.00 C ATOM 455 CD LYS A 29 41.171 48.686 15.859 1.00 0.00 C ATOM 456 CE LYS A 29 39.984 48.568 14.907 1.00 0.00 C ATOM 457 NZ LYS A 29 39.446 49.874 14.497 1.00 0.00 N ATOM 0 H LYS A 29 44.746 47.149 15.351 1.00 0.00 H new ATOM 0 HA LYS A 29 44.962 49.829 14.563 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.601 48.319 16.812 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.495 50.065 16.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.350 49.960 14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.697 48.252 14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.295 47.747 16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.961 49.455 16.603 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.290 48.012 14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.195 47.991 15.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.582 49.733 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.221 50.437 15.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.154 50.377 13.924 1.00 0.00 H new ATOM 471 N ILE A 30 46.722 49.058 17.212 1.00 0.00 N ATOM 472 CA ILE A 30 47.860 49.493 17.997 1.00 0.00 C ATOM 473 C ILE A 30 49.045 49.817 17.087 1.00 0.00 C ATOM 474 O ILE A 30 49.634 50.890 17.210 1.00 0.00 O ATOM 475 CB ILE A 30 48.199 48.461 19.070 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.108 48.409 20.135 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.553 48.727 19.724 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.155 47.183 21.040 1.00 0.00 C ATOM 0 H ILE A 30 46.492 48.074 17.353 1.00 0.00 H new ATOM 0 HA ILE A 30 47.604 50.414 18.520 1.00 0.00 H new ATOM 0 HB ILE A 30 48.259 47.495 18.569 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.182 49.303 20.754 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.137 48.442 19.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.748 47.966 20.480 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.336 48.695 18.966 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.543 49.711 20.194 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.342 47.234 21.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.048 46.281 20.437 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.109 47.156 21.567 1.00 0.00 H new ATOM 490 N GLN A 31 49.380 48.946 16.139 1.00 0.00 N ATOM 491 CA GLN A 31 50.477 49.152 15.216 1.00 0.00 C ATOM 492 C GLN A 31 50.348 50.470 14.451 1.00 0.00 C ATOM 493 O GLN A 31 51.327 51.202 14.331 1.00 0.00 O ATOM 494 CB GLN A 31 50.559 47.983 14.238 1.00 0.00 C ATOM 495 CG GLN A 31 51.768 48.086 13.314 1.00 0.00 C ATOM 496 CD GLN A 31 51.824 46.979 12.259 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.824 46.394 11.849 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.017 46.673 11.754 1.00 0.00 N ATOM 0 H GLN A 31 48.885 48.066 15.994 1.00 0.00 H new ATOM 0 HA GLN A 31 51.394 49.206 15.802 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.609 47.048 14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.649 47.948 13.639 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.752 49.054 12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.678 48.053 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.851 47.154 12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.097 45.957 11.032 1.00 0.00 H new ATOM 507 N ASP A 32 49.147 50.804 13.986 1.00 0.00 N ATOM 508 CA ASP A 32 48.839 51.991 13.214 1.00 0.00 C ATOM 509 C ASP A 32 49.151 53.315 13.913 1.00 0.00 C ATOM 510 O ASP A 32 49.230 54.340 13.240 1.00 0.00 O ATOM 511 CB ASP A 32 47.374 51.900 12.795 1.00 0.00 C ATOM 512 CG ASP A 32 46.996 52.850 11.658 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.168 52.477 10.477 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.449 53.935 11.953 1.00 0.00 O ATOM 0 H ASP A 32 48.326 50.221 14.149 1.00 0.00 H new ATOM 0 HA ASP A 32 49.498 52.007 12.346 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.157 50.877 12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.745 52.114 13.659 1.00 0.00 H new ATOM 519 N LYS A 33 49.392 53.312 15.221 1.00 0.00 N ATOM 520 CA LYS A 33 49.870 54.456 15.970 1.00 0.00 C ATOM 521 C LYS A 33 51.105 54.259 16.852 1.00 0.00 C ATOM 522 O LYS A 33 51.621 55.263 17.336 1.00 0.00 O ATOM 523 CB LYS A 33 48.719 55.154 16.690 1.00 0.00 C ATOM 524 CG LYS A 33 47.963 54.329 17.727 1.00 0.00 C ATOM 525 CD LYS A 33 46.995 55.182 18.543 1.00 0.00 C ATOM 526 CE LYS A 33 46.003 55.961 17.686 1.00 0.00 C ATOM 527 NZ LYS A 33 45.061 56.736 18.508 1.00 0.00 N ATOM 0 H LYS A 33 49.254 52.485 15.801 1.00 0.00 H new ATOM 0 HA LYS A 33 50.269 55.121 15.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.114 56.042 17.183 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.005 55.496 15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.411 53.534 17.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.676 53.848 18.397 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.444 54.538 19.228 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.565 55.883 19.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.546 56.635 17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.448 55.269 17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.303 57.114 17.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.648 56.120 19.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.565 57.523 18.964 1.00 0.00 H new ATOM 541 N GLU A 34 51.622 53.048 17.039 1.00 0.00 N ATOM 542 CA GLU A 34 52.806 52.779 17.828 1.00 0.00 C ATOM 543 C GLU A 34 53.965 52.102 17.094 1.00 0.00 C ATOM 544 O GLU A 34 55.080 52.107 17.613 1.00 0.00 O ATOM 545 CB GLU A 34 52.432 51.985 19.077 1.00 0.00 C ATOM 546 CG GLU A 34 51.752 52.825 20.155 1.00 0.00 C ATOM 547 CD GLU A 34 52.652 53.926 20.720 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.862 53.690 20.929 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.177 55.059 20.945 1.00 0.00 O ATOM 0 H GLU A 34 51.212 52.207 16.632 1.00 0.00 H new ATOM 0 HA GLU A 34 53.193 53.764 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.769 51.168 18.793 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.333 51.534 19.494 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.852 53.278 19.739 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.434 52.172 20.968 1.00 0.00 H new ATOM 556 N GLY A 35 53.768 51.549 15.901 1.00 0.00 N ATOM 557 CA GLY A 35 54.844 51.033 15.079 1.00 0.00 C ATOM 558 C GLY A 35 55.507 49.750 15.582 1.00 0.00 C ATOM 559 O GLY A 35 56.728 49.626 15.516 1.00 0.00 O ATOM 0 H GLY A 35 52.845 51.448 15.478 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.455 50.850 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.609 51.804 14.989 1.00 0.00 H new ATOM 563 N ILE A 36 54.719 48.825 16.122 1.00 0.00 N ATOM 564 CA ILE A 36 55.138 47.514 16.575 1.00 0.00 C ATOM 565 C ILE A 36 54.265 46.471 15.874 1.00 0.00 C ATOM 566 O ILE A 36 53.048 46.541 16.033 1.00 0.00 O ATOM 567 CB ILE A 36 55.025 47.387 18.091 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.799 48.471 18.836 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.499 46.007 18.535 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.457 48.561 20.320 1.00 0.00 C ATOM 0 H ILE A 36 53.721 48.983 16.260 1.00 0.00 H new ATOM 0 HA ILE A 36 56.187 47.357 16.324 1.00 0.00 H new ATOM 0 HB ILE A 36 53.973 47.518 18.344 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.867 48.280 18.730 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.599 49.435 18.367 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.415 45.925 19.619 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.882 45.242 18.064 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.539 45.867 18.240 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.046 49.353 20.782 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.396 48.783 20.436 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.684 47.611 20.804 1.00 0.00 H new ATOM 582 N PRO A 37 54.805 45.512 15.128 1.00 0.00 N ATOM 583 CA PRO A 37 54.001 44.572 14.372 1.00 0.00 C ATOM 584 C PRO A 37 53.267 43.573 15.268 1.00 0.00 C ATOM 585 O PRO A 37 53.829 43.187 16.290 1.00 0.00 O ATOM 586 CB PRO A 37 54.963 43.894 13.400 1.00 0.00 C ATOM 587 CG PRO A 37 56.303 43.958 14.127 1.00 0.00 C ATOM 588 CD PRO A 37 56.214 45.280 14.885 1.00 0.00 C ATOM 0 HA PRO A 37 53.200 45.082 13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.667 42.866 13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.000 44.414 12.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.438 43.113 14.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.142 43.947 13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.768 45.229 15.823 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.648 46.093 14.302 1.00 0.00 H new ATOM 596 N PRO A 38 52.058 43.134 14.931 1.00 0.00 N ATOM 597 CA PRO A 38 51.264 42.232 15.742 1.00 0.00 C ATOM 598 C PRO A 38 51.981 40.985 16.261 1.00 0.00 C ATOM 599 O PRO A 38 51.794 40.637 17.424 1.00 0.00 O ATOM 600 CB PRO A 38 50.065 41.849 14.880 1.00 0.00 C ATOM 601 CG PRO A 38 49.833 43.115 14.061 1.00 0.00 C ATOM 602 CD PRO A 38 51.252 43.627 13.832 1.00 0.00 C ATOM 0 HA PRO A 38 50.994 42.752 16.661 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.279 40.988 14.246 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.196 41.591 15.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.322 42.902 13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.222 43.840 14.599 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.641 43.272 12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.269 44.716 13.798 1.00 0.00 H new ATOM 610 N ASP A 39 52.840 40.341 15.475 1.00 0.00 N ATOM 611 CA ASP A 39 53.632 39.190 15.860 1.00 0.00 C ATOM 612 C ASP A 39 54.600 39.460 17.014 1.00 0.00 C ATOM 613 O ASP A 39 55.082 38.525 17.650 1.00 0.00 O ATOM 614 CB ASP A 39 54.360 38.693 14.616 1.00 0.00 C ATOM 615 CG ASP A 39 55.238 37.457 14.825 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.467 37.603 14.998 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.734 36.314 14.768 1.00 0.00 O ATOM 0 H ASP A 39 53.006 40.625 14.510 1.00 0.00 H new ATOM 0 HA ASP A 39 52.962 38.424 16.249 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.621 38.468 13.847 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.983 39.501 14.232 1.00 0.00 H new ATOM 622 N GLN A 40 54.864 40.722 17.342 1.00 0.00 N ATOM 623 CA GLN A 40 55.740 41.172 18.405 1.00 0.00 C ATOM 624 C GLN A 40 54.996 41.842 19.562 1.00 0.00 C ATOM 625 O GLN A 40 55.632 42.376 20.469 1.00 0.00 O ATOM 626 CB GLN A 40 56.869 42.022 17.831 1.00 0.00 C ATOM 627 CG GLN A 40 57.651 41.269 16.758 1.00 0.00 C ATOM 628 CD GLN A 40 58.881 42.001 16.219 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.463 42.890 16.836 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.367 41.606 15.046 1.00 0.00 N ATOM 0 H GLN A 40 54.442 41.502 16.837 1.00 0.00 H new ATOM 0 HA GLN A 40 56.191 40.291 18.860 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.456 42.937 17.406 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.545 42.320 18.633 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.968 40.310 17.167 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.981 41.054 15.925 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.896 40.869 14.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.211 42.040 14.671 1.00 0.00 H new ATOM 639 N GLN A 41 53.668 41.788 19.584 1.00 0.00 N ATOM 640 CA GLN A 41 52.844 42.316 20.653 1.00 0.00 C ATOM 641 C GLN A 41 52.171 41.226 21.489 1.00 0.00 C ATOM 642 O GLN A 41 51.836 40.150 20.999 1.00 0.00 O ATOM 643 CB GLN A 41 51.750 43.238 20.122 1.00 0.00 C ATOM 644 CG GLN A 41 52.108 44.420 19.225 1.00 0.00 C ATOM 645 CD GLN A 41 50.839 45.166 18.808 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.820 45.155 19.496 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.821 45.819 17.650 1.00 0.00 N ATOM 0 H GLN A 41 53.124 41.362 18.834 1.00 0.00 H new ATOM 0 HA GLN A 41 53.535 42.872 21.287 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.044 42.617 19.571 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.217 43.637 20.985 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.780 45.097 19.753 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.639 44.068 18.341 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.655 45.841 17.064 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.973 46.298 17.348 1.00 0.00 H new ATOM 656 N ARG A 42 51.899 41.555 22.749 1.00 0.00 N ATOM 657 CA ARG A 42 51.213 40.771 23.756 1.00 0.00 C ATOM 658 C ARG A 42 50.193 41.656 24.475 1.00 0.00 C ATOM 659 O ARG A 42 50.450 42.846 24.650 1.00 0.00 O ATOM 660 CB ARG A 42 52.300 40.186 24.653 1.00 0.00 C ATOM 661 CG ARG A 42 51.874 39.381 25.877 1.00 0.00 C ATOM 662 CD ARG A 42 53.148 38.960 26.604 1.00 0.00 C ATOM 663 NE ARG A 42 52.870 38.298 27.879 1.00 0.00 N ATOM 664 CZ ARG A 42 53.664 38.290 28.959 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.863 38.888 29.000 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.301 37.658 30.083 1.00 0.00 N ATOM 0 H ARG A 42 52.182 42.463 23.119 1.00 0.00 H new ATOM 0 HA ARG A 42 50.630 39.945 23.349 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.930 39.545 24.036 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.925 41.010 24.998 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.238 39.980 26.529 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.293 38.507 25.580 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.722 38.288 25.966 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.769 39.838 26.781 1.00 0.00 H new ATOM 0 HE ARG A 42 51.986 37.794 27.953 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.215 39.383 28.180 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.424 38.848 29.851 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.406 37.171 30.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.920 37.664 30.894 1.00 0.00 H new ATOM 680 N LEU A 43 49.031 41.125 24.844 1.00 0.00 N ATOM 681 CA LEU A 43 47.880 41.903 25.255 1.00 0.00 C ATOM 682 C LEU A 43 47.114 41.270 26.419 1.00 0.00 C ATOM 683 O LEU A 43 46.702 40.116 26.342 1.00 0.00 O ATOM 684 CB LEU A 43 46.969 42.122 24.051 1.00 0.00 C ATOM 685 CG LEU A 43 46.453 43.548 23.890 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.585 43.644 22.639 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.625 44.040 25.073 1.00 0.00 C ATOM 0 H LEU A 43 48.866 40.119 24.864 1.00 0.00 H new ATOM 0 HA LEU A 43 48.240 42.862 25.626 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.511 41.843 23.148 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.116 41.449 24.132 1.00 0.00 H new ATOM 0 HG LEU A 43 47.340 44.178 23.820 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.218 44.664 22.528 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.176 43.374 21.764 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.739 42.963 22.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 45.293 45.061 24.885 1.00 0.00 H new ATOM 0 HD22 LEU A 43 44.756 43.394 25.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.233 44.016 25.977 1.00 0.00 H new ATOM 699 N ILE A 44 46.916 42.045 27.481 1.00 0.00 N ATOM 700 CA ILE A 44 46.282 41.658 28.724 1.00 0.00 C ATOM 701 C ILE A 44 45.115 42.595 29.046 1.00 0.00 C ATOM 702 O ILE A 44 45.199 43.802 28.826 1.00 0.00 O ATOM 703 CB ILE A 44 47.333 41.590 29.829 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.347 40.486 29.548 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.726 41.384 31.214 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.568 40.465 30.463 1.00 0.00 C ATOM 0 H ILE A 44 47.215 43.020 27.491 1.00 0.00 H new ATOM 0 HA ILE A 44 45.848 40.662 28.634 1.00 0.00 H new ATOM 0 HB ILE A 44 47.834 42.558 29.830 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.841 39.524 29.625 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.689 40.585 28.518 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.522 41.344 31.958 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.056 42.212 31.444 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.166 40.449 31.231 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.223 39.642 30.177 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.108 41.408 30.371 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.246 40.330 31.496 1.00 0.00 H new ATOM 718 N PHE A 45 44.026 42.055 29.584 1.00 0.00 N ATOM 719 CA PHE A 45 42.894 42.776 30.131 1.00 0.00 C ATOM 720 C PHE A 45 42.389 42.085 31.398 1.00 0.00 C ATOM 721 O PHE A 45 42.365 40.858 31.452 1.00 0.00 O ATOM 722 CB PHE A 45 41.776 42.843 29.095 1.00 0.00 C ATOM 723 CG PHE A 45 40.454 43.315 29.651 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.253 44.669 29.947 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.435 42.390 29.908 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.033 45.095 30.486 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.209 42.818 30.430 1.00 0.00 C ATOM 728 CZ PHE A 45 38.004 44.174 30.712 1.00 0.00 C ATOM 0 H PHE A 45 43.908 41.044 29.651 1.00 0.00 H new ATOM 0 HA PHE A 45 43.209 43.788 30.386 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.080 43.512 28.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.642 41.855 28.655 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.039 45.385 29.759 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.596 41.342 29.703 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.886 46.137 30.728 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.421 42.103 30.615 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.054 44.508 31.103 1.00 0.00 H new ATOM 738 N ALA A 46 41.977 42.838 32.414 1.00 0.00 N ATOM 739 CA ALA A 46 41.560 42.320 33.702 1.00 0.00 C ATOM 740 C ALA A 46 42.544 41.329 34.328 1.00 0.00 C ATOM 741 O ALA A 46 42.146 40.438 35.075 1.00 0.00 O ATOM 742 CB ALA A 46 40.127 41.808 33.594 1.00 0.00 C ATOM 0 H ALA A 46 41.925 43.855 32.356 1.00 0.00 H new ATOM 0 HA ALA A 46 41.571 43.138 34.422 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.807 41.417 34.560 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.470 42.626 33.298 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.079 41.015 32.847 1.00 0.00 H new ATOM 748 N GLY A 47 43.833 41.461 34.033 1.00 0.00 N ATOM 749 CA GLY A 47 44.879 40.553 34.458 1.00 0.00 C ATOM 750 C GLY A 47 45.021 39.251 33.667 1.00 0.00 C ATOM 751 O GLY A 47 45.965 38.511 33.936 1.00 0.00 O ATOM 0 H GLY A 47 44.186 42.235 33.470 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.830 41.084 34.413 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.705 40.299 35.504 1.00 0.00 H new ATOM 755 N LYS A 48 44.163 38.967 32.692 1.00 0.00 N ATOM 756 CA LYS A 48 44.186 37.792 31.844 1.00 0.00 C ATOM 757 C LYS A 48 44.616 38.106 30.410 1.00 0.00 C ATOM 758 O LYS A 48 44.273 39.147 29.852 1.00 0.00 O ATOM 759 CB LYS A 48 42.864 37.034 31.928 1.00 0.00 C ATOM 760 CG LYS A 48 41.622 37.868 31.628 1.00 0.00 C ATOM 761 CD LYS A 48 40.340 37.042 31.660 1.00 0.00 C ATOM 762 CE LYS A 48 39.134 37.960 31.490 1.00 0.00 C ATOM 763 NZ LYS A 48 37.870 37.208 31.536 1.00 0.00 N ATOM 0 H LYS A 48 43.389 39.591 32.464 1.00 0.00 H new ATOM 0 HA LYS A 48 44.958 37.124 32.226 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.898 36.197 31.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.767 36.612 32.929 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.547 38.677 32.355 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.728 38.331 30.647 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.356 36.296 30.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.268 36.501 32.604 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.137 38.715 32.276 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.209 38.488 30.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.071 37.864 31.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.857 36.504 30.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.787 36.724 32.453 1.00 0.00 H new ATOM 777 N GLN A 49 45.389 37.208 29.806 1.00 0.00 N ATOM 778 CA GLN A 49 45.922 37.361 28.468 1.00 0.00 C ATOM 779 C GLN A 49 44.925 36.928 27.391 1.00 0.00 C ATOM 780 O GLN A 49 44.121 36.027 27.619 1.00 0.00 O ATOM 781 CB GLN A 49 47.260 36.631 28.374 1.00 0.00 C ATOM 782 CG GLN A 49 48.143 37.189 27.261 1.00 0.00 C ATOM 783 CD GLN A 49 49.540 36.564 27.294 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.403 36.958 28.075 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.821 35.551 26.480 1.00 0.00 N ATOM 0 H GLN A 49 45.666 36.333 30.251 1.00 0.00 H new ATOM 0 HA GLN A 49 46.097 38.419 28.275 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.784 36.712 29.326 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.082 35.570 28.197 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.679 36.996 26.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.224 38.271 27.366 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.116 35.212 25.826 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.742 35.113 26.510 1.00 0.00 H new ATOM 794 N LEU A 50 44.963 37.558 26.221 1.00 0.00 N ATOM 795 CA LEU A 50 43.974 37.409 25.174 1.00 0.00 C ATOM 796 C LEU A 50 44.413 36.468 24.051 1.00 0.00 C ATOM 797 O LEU A 50 45.589 36.441 23.693 1.00 0.00 O ATOM 798 CB LEU A 50 43.604 38.791 24.641 1.00 0.00 C ATOM 799 CG LEU A 50 43.189 39.825 25.683 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.797 41.132 24.998 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.999 39.376 26.528 1.00 0.00 C ATOM 0 H LEU A 50 45.710 38.206 25.973 1.00 0.00 H new ATOM 0 HA LEU A 50 43.095 36.934 25.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.457 39.185 24.088 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.788 38.676 23.928 1.00 0.00 H new ATOM 0 HG LEU A 50 44.052 39.956 26.336 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.502 41.863 25.751 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.646 41.515 24.432 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.962 40.952 24.321 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.752 40.154 27.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.141 39.196 25.881 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.254 38.458 27.057 1.00 0.00 H new ATOM 813 N GLU A 51 43.485 35.731 23.446 1.00 0.00 N ATOM 814 CA GLU A 51 43.698 34.921 22.265 1.00 0.00 C ATOM 815 C GLU A 51 43.394 35.699 20.983 1.00 0.00 C ATOM 816 O GLU A 51 42.364 36.361 20.871 1.00 0.00 O ATOM 817 CB GLU A 51 42.902 33.623 22.373 1.00 0.00 C ATOM 818 CG GLU A 51 43.172 32.662 21.220 1.00 0.00 C ATOM 819 CD GLU A 51 42.465 31.313 21.371 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.887 30.484 22.205 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.531 31.026 20.591 1.00 0.00 O ATOM 0 H GLU A 51 42.524 35.685 23.786 1.00 0.00 H new ATOM 0 HA GLU A 51 44.754 34.656 22.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.146 33.131 23.314 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.838 33.857 22.402 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.854 33.128 20.287 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.246 32.494 21.142 1.00 0.00 H new ATOM 828 N ASP A 52 44.278 35.618 19.992 1.00 0.00 N ATOM 829 CA ASP A 52 44.318 36.500 18.844 1.00 0.00 C ATOM 830 C ASP A 52 43.174 36.316 17.845 1.00 0.00 C ATOM 831 O ASP A 52 42.696 37.284 17.259 1.00 0.00 O ATOM 832 CB ASP A 52 45.655 36.337 18.124 1.00 0.00 C ATOM 833 CG ASP A 52 46.839 36.850 18.945 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.290 36.151 19.877 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.335 37.962 18.663 1.00 0.00 O ATOM 0 H ASP A 52 45.010 34.908 19.972 1.00 0.00 H new ATOM 0 HA ASP A 52 44.198 37.507 19.244 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.810 35.284 17.891 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.618 36.872 17.175 1.00 0.00 H new ATOM 840 N GLY A 53 42.712 35.082 17.662 1.00 0.00 N ATOM 841 CA GLY A 53 41.621 34.737 16.774 1.00 0.00 C ATOM 842 C GLY A 53 40.215 35.042 17.297 1.00 0.00 C ATOM 843 O GLY A 53 39.251 34.869 16.556 1.00 0.00 O ATOM 0 H GLY A 53 43.103 34.274 18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.761 35.269 15.833 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.682 33.672 16.551 1.00 0.00 H new ATOM 847 N ARG A 54 40.089 35.479 18.546 1.00 0.00 N ATOM 848 CA ARG A 54 38.842 35.758 19.229 1.00 0.00 C ATOM 849 C ARG A 54 38.471 37.241 19.160 1.00 0.00 C ATOM 850 O ARG A 54 39.231 38.040 18.619 1.00 0.00 O ATOM 851 CB ARG A 54 38.901 35.229 20.659 1.00 0.00 C ATOM 852 CG ARG A 54 39.276 33.751 20.715 1.00 0.00 C ATOM 853 CD ARG A 54 38.915 33.080 22.039 1.00 0.00 C ATOM 854 NE ARG A 54 37.469 32.902 22.173 1.00 0.00 N ATOM 855 CZ ARG A 54 36.836 32.417 23.249 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.488 31.966 24.330 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.498 32.390 23.315 1.00 0.00 N ATOM 0 H ARG A 54 40.902 35.656 19.136 1.00 0.00 H new ATOM 0 HA ARG A 54 38.038 35.232 18.714 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.628 35.808 21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.933 35.374 21.138 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.774 33.226 19.902 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.348 33.650 20.546 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.410 32.111 22.104 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.287 33.683 22.867 1.00 0.00 H new ATOM 0 HE ARG A 54 36.892 33.171 21.376 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.508 31.984 24.355 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.965 31.605 25.128 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.942 32.743 22.536 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.036 32.016 24.144 1.00 0.00 H new ATOM 871 N THR A 55 37.313 37.616 19.697 1.00 0.00 N ATOM 872 CA THR A 55 36.820 38.977 19.740 1.00 0.00 C ATOM 873 C THR A 55 36.986 39.649 21.105 1.00 0.00 C ATOM 874 O THR A 55 37.223 38.985 22.112 1.00 0.00 O ATOM 875 CB THR A 55 35.362 39.092 19.305 1.00 0.00 C ATOM 876 OG1 THR A 55 34.496 38.495 20.245 1.00 0.00 O ATOM 877 CG2 THR A 55 35.083 38.486 17.932 1.00 0.00 C ATOM 0 H THR A 55 36.673 36.950 20.129 1.00 0.00 H new ATOM 0 HA THR A 55 37.449 39.505 19.023 1.00 0.00 H new ATOM 0 HB THR A 55 35.172 40.163 19.243 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.822 37.598 20.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.027 38.605 17.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.687 38.994 17.180 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.335 37.426 17.944 1.00 0.00 H new ATOM 885 N LEU A 56 36.775 40.961 21.162 1.00 0.00 N ATOM 886 CA LEU A 56 36.648 41.686 22.410 1.00 0.00 C ATOM 887 C LEU A 56 35.483 41.188 23.267 1.00 0.00 C ATOM 888 O LEU A 56 35.607 41.118 24.487 1.00 0.00 O ATOM 889 CB LEU A 56 36.543 43.176 22.101 1.00 0.00 C ATOM 890 CG LEU A 56 37.822 43.811 21.564 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.560 45.265 21.183 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.946 43.840 22.596 1.00 0.00 C ATOM 0 H LEU A 56 36.688 41.550 20.334 1.00 0.00 H new ATOM 0 HA LEU A 56 37.538 41.505 23.013 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.746 43.326 21.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.247 43.701 23.009 1.00 0.00 H new ATOM 0 HG LEU A 56 38.122 43.202 20.711 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.478 45.712 20.800 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.788 45.306 20.414 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.227 45.817 22.062 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.830 44.303 22.158 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.628 44.416 23.465 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.184 42.822 22.904 1.00 0.00 H new ATOM 904 N SER A 57 34.375 40.767 22.663 1.00 0.00 N ATOM 905 CA SER A 57 33.240 40.201 23.364 1.00 0.00 C ATOM 906 C SER A 57 33.500 38.817 23.961 1.00 0.00 C ATOM 907 O SER A 57 32.950 38.516 25.018 1.00 0.00 O ATOM 908 CB SER A 57 31.988 40.177 22.491 1.00 0.00 C ATOM 909 OG SER A 57 32.018 39.201 21.474 1.00 0.00 O ATOM 0 H SER A 57 34.244 40.813 21.652 1.00 0.00 H new ATOM 0 HA SER A 57 33.072 40.872 24.206 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.119 40.000 23.125 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.856 41.158 22.035 1.00 0.00 H new ATOM 0 HG SER A 57 32.937 39.093 21.152 1.00 0.00 H new ATOM 915 N ASP A 58 34.396 38.024 23.380 1.00 0.00 N ATOM 916 CA ASP A 58 34.839 36.757 23.925 1.00 0.00 C ATOM 917 C ASP A 58 35.584 36.892 25.255 1.00 0.00 C ATOM 918 O ASP A 58 35.775 35.897 25.952 1.00 0.00 O ATOM 919 CB ASP A 58 35.726 36.016 22.928 1.00 0.00 C ATOM 920 CG ASP A 58 34.968 35.449 21.725 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.239 34.448 21.896 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.151 35.967 20.603 1.00 0.00 O ATOM 0 H ASP A 58 34.842 38.257 22.493 1.00 0.00 H new ATOM 0 HA ASP A 58 33.930 36.187 24.116 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.500 36.695 22.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.232 35.200 23.444 1.00 0.00 H new ATOM 927 N TYR A 59 35.976 38.101 25.643 1.00 0.00 N ATOM 928 CA TYR A 59 36.589 38.423 26.917 1.00 0.00 C ATOM 929 C TYR A 59 35.794 39.436 27.744 1.00 0.00 C ATOM 930 O TYR A 59 36.262 39.864 28.797 1.00 0.00 O ATOM 931 CB TYR A 59 38.031 38.853 26.664 1.00 0.00 C ATOM 932 CG TYR A 59 38.943 37.695 26.337 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.564 37.000 27.381 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.175 37.317 25.008 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.432 35.937 27.106 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.041 36.255 24.720 1.00 0.00 C ATOM 937 CZ TYR A 59 40.674 35.560 25.770 1.00 0.00 C ATOM 938 OH TYR A 59 41.539 34.542 25.497 1.00 0.00 O ATOM 0 H TYR A 59 35.867 38.920 25.045 1.00 0.00 H new ATOM 0 HA TYR A 59 36.586 37.529 27.541 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.052 39.568 25.842 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.410 39.369 27.546 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.372 37.286 28.405 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.685 37.846 24.204 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.914 35.408 27.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.224 35.969 23.695 1.00 0.00 H new ATOM 0 HH TYR A 59 41.276 34.105 24.660 1.00 0.00 H new ATOM 948 N ASN A 60 34.593 39.807 27.310 1.00 0.00 N ATOM 949 CA ASN A 60 33.769 40.841 27.903 1.00 0.00 C ATOM 950 C ASN A 60 34.524 42.152 28.131 1.00 0.00 C ATOM 951 O ASN A 60 34.452 42.751 29.202 1.00 0.00 O ATOM 952 CB ASN A 60 33.036 40.293 29.125 1.00 0.00 C ATOM 953 CG ASN A 60 31.905 41.211 29.594 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.987 41.884 30.618 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.802 41.272 28.853 1.00 0.00 N ATOM 0 H ASN A 60 34.153 39.372 26.499 1.00 0.00 H new ATOM 0 HA ASN A 60 32.998 41.127 27.187 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.627 39.311 28.888 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.748 40.154 29.939 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.030 41.875 29.136 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.728 40.715 28.001 1.00 0.00 H new ATOM 962 N ILE A 61 35.274 42.609 27.133 1.00 0.00 N ATOM 963 CA ILE A 61 35.930 43.900 27.160 1.00 0.00 C ATOM 964 C ILE A 61 34.891 44.966 26.810 1.00 0.00 C ATOM 965 O ILE A 61 34.222 44.866 25.784 1.00 0.00 O ATOM 966 CB ILE A 61 37.156 43.902 26.250 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.215 42.954 26.806 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.739 45.307 26.131 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.232 42.464 25.779 1.00 0.00 C ATOM 0 H ILE A 61 35.442 42.083 26.275 1.00 0.00 H new ATOM 0 HA ILE A 61 36.318 44.127 28.153 1.00 0.00 H new ATOM 0 HB ILE A 61 36.849 43.567 25.259 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.747 43.458 27.613 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.716 42.090 27.244 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.612 45.285 25.478 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.989 45.978 25.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.033 45.664 27.118 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.945 41.796 26.263 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.716 41.928 24.983 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.763 43.317 25.357 1.00 0.00 H new ATOM 981 N GLN A 62 34.734 45.964 27.676 1.00 0.00 N ATOM 982 CA GLN A 62 33.665 46.941 27.633 1.00 0.00 C ATOM 983 C GLN A 62 34.158 48.309 27.160 1.00 0.00 C ATOM 984 O GLN A 62 35.359 48.569 27.136 1.00 0.00 O ATOM 985 CB GLN A 62 33.020 47.026 29.013 1.00 0.00 C ATOM 986 CG GLN A 62 32.380 45.718 29.470 1.00 0.00 C ATOM 987 CD GLN A 62 31.800 45.762 30.885 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.579 46.816 31.479 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.510 44.611 31.483 1.00 0.00 N ATOM 0 H GLN A 62 35.376 46.114 28.454 1.00 0.00 H new ATOM 0 HA GLN A 62 32.921 46.619 26.904 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.775 47.325 29.740 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.261 47.808 29.002 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.586 45.452 28.772 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.126 44.925 29.420 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.687 43.728 31.004 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.110 44.610 32.421 1.00 0.00 H new ATOM 998 N LYS A 63 33.246 49.218 26.827 1.00 0.00 N ATOM 999 CA LYS A 63 33.563 50.596 26.503 1.00 0.00 C ATOM 1000 C LYS A 63 34.367 51.285 27.606 1.00 0.00 C ATOM 1001 O LYS A 63 34.125 51.067 28.791 1.00 0.00 O ATOM 1002 CB LYS A 63 32.283 51.355 26.164 1.00 0.00 C ATOM 1003 CG LYS A 63 31.353 51.622 27.345 1.00 0.00 C ATOM 1004 CD LYS A 63 30.084 52.343 26.900 1.00 0.00 C ATOM 1005 CE LYS A 63 29.317 52.902 28.095 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.925 54.137 28.613 1.00 0.00 N ATOM 0 H LYS A 63 32.249 49.009 26.775 1.00 0.00 H new ATOM 0 HA LYS A 63 34.209 50.598 25.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.554 52.309 25.713 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.734 50.791 25.410 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.089 50.679 27.823 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.873 52.223 28.091 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.343 53.154 26.220 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.447 51.654 26.346 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.286 53.101 27.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.285 52.154 28.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.760 54.202 29.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.948 54.125 28.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.497 54.959 28.141 1.00 0.00 H new ATOM 1020 N GLU A 64 35.351 52.097 27.227 1.00 0.00 N ATOM 1021 CA GLU A 64 36.288 52.762 28.109 1.00 0.00 C ATOM 1022 C GLU A 64 37.112 51.849 29.018 1.00 0.00 C ATOM 1023 O GLU A 64 37.674 52.305 30.011 1.00 0.00 O ATOM 1024 CB GLU A 64 35.638 53.931 28.846 1.00 0.00 C ATOM 1025 CG GLU A 64 35.062 55.008 27.932 1.00 0.00 C ATOM 1026 CD GLU A 64 33.589 54.799 27.570 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.244 54.864 26.371 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.749 54.671 28.487 1.00 0.00 O ATOM 0 H GLU A 64 35.519 52.316 26.245 1.00 0.00 H new ATOM 0 HA GLU A 64 37.046 53.175 27.444 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.841 53.546 29.482 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.378 54.387 29.504 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.172 55.978 28.417 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.649 55.043 27.014 1.00 0.00 H new ATOM 1035 N SER A 65 37.265 50.573 28.677 1.00 0.00 N ATOM 1036 CA SER A 65 38.232 49.694 29.302 1.00 0.00 C ATOM 1037 C SER A 65 39.671 50.179 29.115 1.00 0.00 C ATOM 1038 O SER A 65 40.005 50.698 28.052 1.00 0.00 O ATOM 1039 CB SER A 65 38.164 48.281 28.730 1.00 0.00 C ATOM 1040 OG SER A 65 36.939 47.656 29.038 1.00 0.00 O ATOM 0 H SER A 65 36.711 50.121 27.949 1.00 0.00 H new ATOM 0 HA SER A 65 37.972 49.697 30.360 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.292 48.319 27.648 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.987 47.687 29.128 1.00 0.00 H new ATOM 0 HG SER A 65 36.268 47.902 28.367 1.00 0.00 H new ATOM 1046 N THR A 66 40.539 49.921 30.089 1.00 0.00 N ATOM 1047 CA THR A 66 41.979 49.985 29.948 1.00 0.00 C ATOM 1048 C THR A 66 42.538 48.576 29.738 1.00 0.00 C ATOM 1049 O THR A 66 42.358 47.693 30.575 1.00 0.00 O ATOM 1050 CB THR A 66 42.658 50.640 31.148 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.340 52.012 31.216 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.181 50.600 31.064 1.00 0.00 C ATOM 0 H THR A 66 40.243 49.653 31.028 1.00 0.00 H new ATOM 0 HA THR A 66 42.193 50.608 29.080 1.00 0.00 H new ATOM 0 HB THR A 66 42.301 50.077 32.010 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.784 52.412 31.993 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.607 51.081 31.945 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.516 49.564 31.019 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.510 51.127 30.168 1.00 0.00 H new ATOM 1060 N LEU A 67 43.255 48.381 28.636 1.00 0.00 N ATOM 1061 CA LEU A 67 43.988 47.175 28.308 1.00 0.00 C ATOM 1062 C LEU A 67 45.489 47.436 28.448 1.00 0.00 C ATOM 1063 O LEU A 67 45.949 48.556 28.234 1.00 0.00 O ATOM 1064 CB LEU A 67 43.632 46.695 26.904 1.00 0.00 C ATOM 1065 CG LEU A 67 42.185 46.295 26.626 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.201 47.457 26.526 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.127 45.563 25.288 1.00 0.00 C ATOM 0 H LEU A 67 43.341 49.098 27.916 1.00 0.00 H new ATOM 0 HA LEU A 67 43.709 46.382 29.002 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.900 47.486 26.203 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.265 45.838 26.674 1.00 0.00 H new ATOM 0 HG LEU A 67 41.888 45.685 27.479 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.201 47.071 26.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.196 48.011 27.465 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.502 48.120 25.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.098 45.271 25.077 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.487 46.221 24.497 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.754 44.673 25.333 1.00 0.00 H new ATOM 1079 N HIS A 68 46.273 46.419 28.792 1.00 0.00 N ATOM 1080 CA HIS A 68 47.700 46.521 29.028 1.00 0.00 C ATOM 1081 C HIS A 68 48.483 45.876 27.883 1.00 0.00 C ATOM 1082 O HIS A 68 48.337 44.688 27.607 1.00 0.00 O ATOM 1083 CB HIS A 68 48.047 45.951 30.401 1.00 0.00 C ATOM 1084 CG HIS A 68 47.616 46.818 31.551 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.477 47.500 32.411 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.324 47.107 31.908 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.699 48.200 33.239 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.401 47.990 32.967 1.00 0.00 N ATOM 0 H HIS A 68 45.916 45.472 28.917 1.00 0.00 H new ATOM 0 HA HIS A 68 47.997 47.570 29.042 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.581 44.971 30.504 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.125 45.799 30.458 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.425 46.721 31.452 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.064 48.848 34.022 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.610 48.409 33.457 1.00 0.00 H new ATOM 1096 N LEU A 69 49.308 46.672 27.206 1.00 0.00 N ATOM 1097 CA LEU A 69 50.166 46.270 26.110 1.00 0.00 C ATOM 1098 C LEU A 69 51.551 45.865 26.619 1.00 0.00 C ATOM 1099 O LEU A 69 52.154 46.590 27.406 1.00 0.00 O ATOM 1100 CB LEU A 69 50.241 47.423 25.113 1.00 0.00 C ATOM 1101 CG LEU A 69 51.233 47.275 23.964 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.888 46.111 23.037 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.231 48.559 23.139 1.00 0.00 C ATOM 0 H LEU A 69 49.395 47.665 27.424 1.00 0.00 H new ATOM 0 HA LEU A 69 49.753 45.393 25.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.248 47.570 24.688 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.490 48.331 25.662 1.00 0.00 H new ATOM 0 HG LEU A 69 52.211 47.079 24.403 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.626 46.052 22.237 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.892 45.180 23.604 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.899 46.269 22.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.938 48.463 22.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.231 48.735 22.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.523 49.398 23.771 1.00 0.00 H new ATOM 1115 N VAL A 70 52.068 44.742 26.129 1.00 0.00 N ATOM 1116 CA VAL A 70 53.377 44.207 26.447 1.00 0.00 C ATOM 1117 C VAL A 70 54.085 43.846 25.139 1.00 0.00 C ATOM 1118 O VAL A 70 53.442 43.441 24.174 1.00 0.00 O ATOM 1119 CB VAL A 70 53.239 43.008 27.381 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.588 42.541 27.921 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.338 43.279 28.583 1.00 0.00 C ATOM 0 H VAL A 70 51.557 44.157 25.468 1.00 0.00 H new ATOM 0 HA VAL A 70 53.980 44.948 26.972 1.00 0.00 H new ATOM 0 HB VAL A 70 52.787 42.235 26.759 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.440 41.686 28.581 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.232 42.251 27.091 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.057 43.352 28.478 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.283 42.386 29.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.748 44.103 29.166 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.338 43.541 28.237 1.00 0.00 H new