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 -46:sc= 1.45 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.682 USER MOD Set 2.1: A 22 THR OG1 : rot 124:sc= 0.342 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.11 K(o=1.5,f=-0.34) USER MOD Set 3.1: A 2 GLN : amide:sc= 0.722 K(o=2.4,f=1.1) USER MOD Set 3.2: A 14 THR OG1 : rot 21:sc= 1.65 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0372) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.45 (180deg=1.97) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0.331 (180deg=-0.205!) 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 27 LYS NZ :NH3+ -103:sc= 0.27 (180deg=-0.474!) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 2.35 (180deg=2.26) USER MOD Single : A 31 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.13) USER MOD Single : A 40 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.35) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 59 TYR OH : rot 0:sc= 1.89 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 84:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.054 USER MOD Single : A 68 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.400 52.164 18.957 1.00 0.00 N ATOM 2 CA MET A 1 33.375 52.060 20.424 1.00 0.00 C ATOM 3 C MET A 1 34.766 52.371 20.981 1.00 0.00 C ATOM 4 O MET A 1 35.744 51.827 20.474 1.00 0.00 O ATOM 5 CB MET A 1 32.905 50.677 20.864 1.00 0.00 C ATOM 6 CG MET A 1 32.559 50.582 22.347 1.00 0.00 C ATOM 7 SD MET A 1 32.029 48.940 22.896 1.00 0.00 S ATOM 8 CE MET A 1 33.575 48.004 22.812 1.00 0.00 C ATOM 0 H1 MET A 1 32.433 52.309 18.603 1.00 0.00 H new ATOM 0 H2 MET A 1 33.996 52.969 18.676 1.00 0.00 H new ATOM 0 H3 MET A 1 33.789 51.288 18.553 1.00 0.00 H new ATOM 0 HA MET A 1 32.665 52.786 20.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.029 50.399 20.278 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.684 49.950 20.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.430 50.881 22.929 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.767 51.297 22.568 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.419 47.007 23.223 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.895 47.922 21.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.344 48.518 23.389 1.00 0.00 H new ATOM 20 N GLN A 2 34.878 53.205 22.011 1.00 0.00 N ATOM 21 CA GLN A 2 36.148 53.631 22.565 1.00 0.00 C ATOM 22 C GLN A 2 36.737 52.601 23.532 1.00 0.00 C ATOM 23 O GLN A 2 36.045 52.147 24.442 1.00 0.00 O ATOM 24 CB GLN A 2 35.992 54.998 23.225 1.00 0.00 C ATOM 25 CG GLN A 2 37.324 55.532 23.741 1.00 0.00 C ATOM 26 CD GLN A 2 37.286 56.984 24.223 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.300 57.484 24.759 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.397 57.700 24.076 1.00 0.00 N ATOM 0 H GLN A 2 34.071 53.608 22.488 1.00 0.00 H new ATOM 0 HA GLN A 2 36.861 53.716 21.745 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.571 55.702 22.507 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.285 54.924 24.051 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.660 54.899 24.562 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.067 55.446 22.948 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.216 57.285 23.631 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.430 58.664 24.408 1.00 0.00 H new ATOM 37 N ILE A 3 38.032 52.318 23.421 1.00 0.00 N ATOM 38 CA ILE A 3 38.833 51.692 24.453 1.00 0.00 C ATOM 39 C ILE A 3 40.173 52.411 24.620 1.00 0.00 C ATOM 40 O ILE A 3 40.492 53.324 23.861 1.00 0.00 O ATOM 41 CB ILE A 3 39.022 50.196 24.222 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.844 49.884 22.975 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.689 49.454 24.253 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.337 48.441 22.909 1.00 0.00 C ATOM 0 H ILE A 3 38.566 52.528 22.577 1.00 0.00 H new ATOM 0 HA ILE A 3 38.280 51.789 25.387 1.00 0.00 H new ATOM 0 HB ILE A 3 39.615 49.821 25.056 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.241 50.093 22.092 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.703 50.554 22.940 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.860 48.391 24.085 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.216 49.596 25.225 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.037 49.844 23.471 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.913 48.295 21.995 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.968 48.232 23.773 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.483 47.764 22.911 1.00 0.00 H new ATOM 56 N PHE A 4 40.991 51.973 25.572 1.00 0.00 N ATOM 57 CA PHE A 4 42.325 52.485 25.813 1.00 0.00 C ATOM 58 C PHE A 4 43.367 51.368 25.896 1.00 0.00 C ATOM 59 O PHE A 4 43.039 50.222 26.193 1.00 0.00 O ATOM 60 CB PHE A 4 42.327 53.321 27.089 1.00 0.00 C ATOM 61 CG PHE A 4 41.342 54.466 27.102 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.090 54.316 27.711 1.00 0.00 C ATOM 63 CD2 PHE A 4 41.683 55.685 26.503 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.183 55.382 27.728 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.774 56.748 26.510 1.00 0.00 C ATOM 66 CZ PHE A 4 39.523 56.598 27.119 1.00 0.00 C ATOM 0 H PHE A 4 40.729 51.226 26.216 1.00 0.00 H new ATOM 0 HA PHE A 4 42.604 53.111 24.966 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.113 52.667 27.934 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.329 53.722 27.242 1.00 0.00 H new ATOM 0 HD1 PHE A 4 39.823 53.375 28.169 1.00 0.00 H new ATOM 0 HD2 PHE A 4 42.649 55.804 26.035 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.223 55.268 28.209 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.038 57.686 26.045 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.820 57.418 27.120 1.00 0.00 H new ATOM 76 N VAL A 5 44.631 51.706 25.657 1.00 0.00 N ATOM 77 CA VAL A 5 45.764 50.817 25.822 1.00 0.00 C ATOM 78 C VAL A 5 46.892 51.557 26.542 1.00 0.00 C ATOM 79 O VAL A 5 47.203 52.691 26.186 1.00 0.00 O ATOM 80 CB VAL A 5 46.252 50.230 24.500 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.249 49.098 24.735 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.131 49.679 23.624 1.00 0.00 C ATOM 0 H VAL A 5 44.897 52.636 25.333 1.00 0.00 H new ATOM 0 HA VAL A 5 45.437 49.971 26.426 1.00 0.00 H new ATOM 0 HB VAL A 5 46.720 51.067 23.981 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.579 48.699 23.776 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.109 49.479 25.285 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.771 48.306 25.312 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.553 49.279 22.702 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.608 48.886 24.158 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.430 50.478 23.385 1.00 0.00 H new ATOM 92 N LYS A 6 47.499 50.918 27.538 1.00 0.00 N ATOM 93 CA LYS A 6 48.553 51.461 28.373 1.00 0.00 C ATOM 94 C LYS A 6 49.760 50.523 28.448 1.00 0.00 C ATOM 95 O LYS A 6 49.609 49.303 28.410 1.00 0.00 O ATOM 96 CB LYS A 6 47.951 51.799 29.733 1.00 0.00 C ATOM 97 CG LYS A 6 48.899 52.550 30.663 1.00 0.00 C ATOM 98 CD LYS A 6 48.149 53.106 31.871 1.00 0.00 C ATOM 99 CE LYS A 6 49.062 53.996 32.709 1.00 0.00 C ATOM 100 NZ LYS A 6 48.383 54.488 33.917 1.00 0.00 N ATOM 0 H LYS A 6 47.253 49.961 27.793 1.00 0.00 H new ATOM 0 HA LYS A 6 48.951 52.377 27.937 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.054 52.400 29.582 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.637 50.875 30.220 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.692 51.881 30.998 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.378 53.365 30.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.283 53.677 31.536 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.773 52.285 32.481 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.953 53.437 32.995 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.396 54.843 32.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.034 55.089 34.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.547 55.043 33.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.087 53.681 34.502 1.00 0.00 H new ATOM 168 N LYS A 11 53.365 55.102 28.352 1.00 0.00 N ATOM 169 CA LYS A 11 52.810 55.505 27.075 1.00 0.00 C ATOM 170 C LYS A 11 51.376 54.982 26.975 1.00 0.00 C ATOM 171 O LYS A 11 51.159 53.795 27.204 1.00 0.00 O ATOM 172 CB LYS A 11 53.702 54.979 25.954 1.00 0.00 C ATOM 173 CG LYS A 11 53.991 55.961 24.821 1.00 0.00 C ATOM 174 CD LYS A 11 52.813 56.284 23.907 1.00 0.00 C ATOM 175 CE LYS A 11 53.309 57.211 22.802 1.00 0.00 C ATOM 176 NZ LYS A 11 52.248 57.582 21.853 1.00 0.00 N ATOM 0 HA LYS A 11 52.776 56.591 26.984 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.651 54.664 26.388 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.235 54.090 25.530 1.00 0.00 H new ATOM 0 HG2 LYS A 11 54.355 56.892 25.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.799 55.556 24.212 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.401 55.370 23.480 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.012 56.761 24.473 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.722 58.115 23.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.120 56.723 22.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.673 58.023 21.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.723 56.730 21.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.597 58.255 22.306 1.00 0.00 H new ATOM 190 N THR A 12 50.424 55.842 26.622 1.00 0.00 N ATOM 191 CA THR A 12 49.004 55.561 26.686 1.00 0.00 C ATOM 192 C THR A 12 48.277 56.089 25.449 1.00 0.00 C ATOM 193 O THR A 12 48.527 57.209 25.008 1.00 0.00 O ATOM 194 CB THR A 12 48.399 56.160 27.953 1.00 0.00 C ATOM 195 OG1 THR A 12 49.133 55.741 29.081 1.00 0.00 O ATOM 196 CG2 THR A 12 46.955 55.733 28.196 1.00 0.00 C ATOM 0 H THR A 12 50.632 56.778 26.275 1.00 0.00 H new ATOM 0 HA THR A 12 48.878 54.479 26.713 1.00 0.00 H new ATOM 0 HB THR A 12 48.432 57.240 27.809 1.00 0.00 H new ATOM 0 HG1 THR A 12 48.740 56.130 29.890 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.588 56.195 29.113 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.336 56.050 27.357 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.908 54.648 28.293 1.00 0.00 H new ATOM 204 N ILE A 13 47.364 55.301 24.887 1.00 0.00 N ATOM 205 CA ILE A 13 46.618 55.601 23.681 1.00 0.00 C ATOM 206 C ILE A 13 45.132 55.263 23.818 1.00 0.00 C ATOM 207 O ILE A 13 44.757 54.421 24.631 1.00 0.00 O ATOM 208 CB ILE A 13 47.209 54.896 22.464 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.188 53.374 22.584 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.612 55.415 22.164 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.666 52.628 21.342 1.00 0.00 C ATOM 0 H ILE A 13 47.117 54.394 25.284 1.00 0.00 H new ATOM 0 HA ILE A 13 46.702 56.677 23.531 1.00 0.00 H new ATOM 0 HB ILE A 13 46.564 55.138 21.619 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.812 53.082 23.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.171 53.056 22.813 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.013 54.898 21.292 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.569 56.485 21.962 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.258 55.233 23.023 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.616 51.554 21.521 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.029 52.885 20.496 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.695 52.911 21.121 1.00 0.00 H new ATOM 223 N THR A 14 44.293 55.852 22.970 1.00 0.00 N ATOM 224 CA THR A 14 42.923 55.438 22.745 1.00 0.00 C ATOM 225 C THR A 14 42.726 54.839 21.352 1.00 0.00 C ATOM 226 O THR A 14 43.456 55.173 20.421 1.00 0.00 O ATOM 227 CB THR A 14 41.944 56.566 23.057 1.00 0.00 C ATOM 228 OG1 THR A 14 40.637 56.053 23.187 1.00 0.00 O ATOM 229 CG2 THR A 14 41.889 57.663 21.996 1.00 0.00 C ATOM 0 H THR A 14 44.563 56.657 22.405 1.00 0.00 H new ATOM 0 HA THR A 14 42.700 54.633 23.446 1.00 0.00 H new ATOM 0 HB THR A 14 42.313 57.007 23.983 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.680 55.095 23.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.169 58.424 22.297 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.874 58.117 21.891 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.584 57.232 21.042 1.00 0.00 H new ATOM 237 N LEU A 15 41.760 53.935 21.212 1.00 0.00 N ATOM 238 CA LEU A 15 41.389 53.282 19.973 1.00 0.00 C ATOM 239 C LEU A 15 39.878 53.348 19.746 1.00 0.00 C ATOM 240 O LEU A 15 39.114 53.503 20.695 1.00 0.00 O ATOM 241 CB LEU A 15 41.832 51.822 20.002 1.00 0.00 C ATOM 242 CG LEU A 15 43.325 51.552 20.173 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.545 50.051 20.334 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.151 52.025 18.980 1.00 0.00 C ATOM 0 H LEU A 15 41.191 53.628 22.001 1.00 0.00 H new ATOM 0 HA LEU A 15 41.887 53.804 19.155 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.303 51.324 20.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.507 51.351 19.074 1.00 0.00 H new ATOM 0 HG LEU A 15 43.651 52.107 21.053 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.609 49.850 20.457 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.005 49.696 21.212 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.178 49.532 19.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.204 51.807 19.157 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.820 51.507 18.080 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.020 53.099 18.850 1.00 0.00 H new ATOM 256 N GLU A 16 39.452 53.146 18.502 1.00 0.00 N ATOM 257 CA GLU A 16 38.106 52.727 18.165 1.00 0.00 C ATOM 258 C GLU A 16 38.088 51.249 17.767 1.00 0.00 C ATOM 259 O GLU A 16 38.879 50.789 16.948 1.00 0.00 O ATOM 260 CB GLU A 16 37.501 53.591 17.063 1.00 0.00 C ATOM 261 CG GLU A 16 37.129 55.008 17.492 1.00 0.00 C ATOM 262 CD GLU A 16 36.063 55.070 18.588 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.991 54.440 18.461 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.276 55.802 19.578 1.00 0.00 O ATOM 0 H GLU A 16 40.051 53.274 17.686 1.00 0.00 H new ATOM 0 HA GLU A 16 37.489 52.857 19.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.210 53.651 16.237 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.608 53.096 16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.026 55.517 17.844 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.772 55.558 16.621 1.00 0.00 H new ATOM 271 N VAL A 17 37.179 50.498 18.383 1.00 0.00 N ATOM 272 CA VAL A 17 36.925 49.081 18.215 1.00 0.00 C ATOM 273 C VAL A 17 35.417 48.821 18.193 1.00 0.00 C ATOM 274 O VAL A 17 34.624 49.738 18.398 1.00 0.00 O ATOM 275 CB VAL A 17 37.591 48.276 19.328 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.110 48.424 19.317 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.079 48.647 20.717 1.00 0.00 C ATOM 0 H VAL A 17 36.549 50.908 19.072 1.00 0.00 H new ATOM 0 HA VAL A 17 37.353 48.760 17.265 1.00 0.00 H new ATOM 0 HB VAL A 17 37.324 47.240 19.120 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.539 47.833 20.127 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.503 48.072 18.363 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.374 49.473 19.453 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.589 48.042 21.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.276 49.702 20.907 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.006 48.462 20.771 1.00 0.00 H new ATOM 287 N GLU A 18 34.996 47.575 18.001 1.00 0.00 N ATOM 288 CA GLU A 18 33.617 47.143 18.110 1.00 0.00 C ATOM 289 C GLU A 18 33.522 45.883 18.973 1.00 0.00 C ATOM 290 O GLU A 18 34.514 45.168 19.096 1.00 0.00 O ATOM 291 CB GLU A 18 33.030 46.894 16.723 1.00 0.00 C ATOM 292 CG GLU A 18 32.887 48.129 15.838 1.00 0.00 C ATOM 293 CD GLU A 18 31.807 49.092 16.334 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.144 50.217 16.762 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.606 48.752 16.271 1.00 0.00 O ATOM 0 H GLU A 18 35.632 46.816 17.757 1.00 0.00 H new ATOM 0 HA GLU A 18 33.038 47.932 18.591 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.659 46.169 16.206 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.047 46.437 16.840 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.842 48.652 15.795 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.649 47.816 14.821 1.00 0.00 H new ATOM 302 N PRO A 19 32.377 45.543 19.558 1.00 0.00 N ATOM 303 CA PRO A 19 32.209 44.322 20.320 1.00 0.00 C ATOM 304 C PRO A 19 32.601 43.030 19.597 1.00 0.00 C ATOM 305 O PRO A 19 33.195 42.148 20.213 1.00 0.00 O ATOM 306 CB PRO A 19 30.739 44.311 20.729 1.00 0.00 C ATOM 307 CG PRO A 19 30.419 45.796 20.875 1.00 0.00 C ATOM 308 CD PRO A 19 31.228 46.407 19.734 1.00 0.00 C ATOM 0 HA PRO A 19 32.895 44.331 21.167 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.113 43.834 19.975 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.583 43.770 21.662 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.352 45.996 20.772 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.724 46.186 21.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.636 46.461 18.820 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.537 47.424 19.975 1.00 0.00 H new ATOM 316 N SER A 20 32.337 42.901 18.300 1.00 0.00 N ATOM 317 CA SER A 20 32.770 41.773 17.502 1.00 0.00 C ATOM 318 C SER A 20 34.137 41.964 16.840 1.00 0.00 C ATOM 319 O SER A 20 34.510 41.177 15.973 1.00 0.00 O ATOM 320 CB SER A 20 31.701 41.372 16.490 1.00 0.00 C ATOM 321 OG SER A 20 30.592 40.829 17.171 1.00 0.00 O ATOM 0 H SER A 20 31.806 43.593 17.771 1.00 0.00 H new ATOM 0 HA SER A 20 32.907 40.949 18.202 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.394 42.239 15.906 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.104 40.642 15.788 1.00 0.00 H new ATOM 0 HG SER A 20 29.903 40.572 16.523 1.00 0.00 H new ATOM 327 N ASP A 21 34.918 42.970 17.222 1.00 0.00 N ATOM 328 CA ASP A 21 36.254 43.185 16.702 1.00 0.00 C ATOM 329 C ASP A 21 37.273 42.246 17.350 1.00 0.00 C ATOM 330 O ASP A 21 37.172 41.925 18.533 1.00 0.00 O ATOM 331 CB ASP A 21 36.619 44.657 16.873 1.00 0.00 C ATOM 332 CG ASP A 21 37.668 45.161 15.878 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.767 44.590 14.771 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.312 46.194 16.161 1.00 0.00 O ATOM 0 H ASP A 21 34.632 43.665 17.911 1.00 0.00 H new ATOM 0 HA ASP A 21 36.273 42.945 15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.716 45.259 16.768 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.990 44.813 17.886 1.00 0.00 H new ATOM 339 N THR A 22 38.253 41.773 16.585 1.00 0.00 N ATOM 340 CA THR A 22 39.203 40.771 17.022 1.00 0.00 C ATOM 341 C THR A 22 40.420 41.365 17.734 1.00 0.00 C ATOM 342 O THR A 22 40.794 42.515 17.512 1.00 0.00 O ATOM 343 CB THR A 22 39.685 39.882 15.879 1.00 0.00 C ATOM 344 OG1 THR A 22 40.478 40.634 14.987 1.00 0.00 O ATOM 345 CG2 THR A 22 38.542 39.247 15.092 1.00 0.00 C ATOM 0 H THR A 22 38.406 42.086 15.626 1.00 0.00 H new ATOM 0 HA THR A 22 38.647 40.164 17.736 1.00 0.00 H new ATOM 0 HB THR A 22 40.262 39.079 16.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.356 40.209 14.892 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.950 38.627 14.294 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.940 38.630 15.759 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.918 40.030 14.661 1.00 0.00 H new ATOM 353 N ILE A 23 41.120 40.557 18.526 1.00 0.00 N ATOM 354 CA ILE A 23 42.395 40.947 19.091 1.00 0.00 C ATOM 355 C ILE A 23 43.461 41.174 18.016 1.00 0.00 C ATOM 356 O ILE A 23 44.291 42.063 18.187 1.00 0.00 O ATOM 357 CB ILE A 23 42.785 39.974 20.200 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.016 40.256 21.488 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.283 39.901 20.483 1.00 0.00 C ATOM 360 CD1 ILE A 23 42.368 41.537 22.238 1.00 0.00 C ATOM 0 H ILE A 23 40.816 39.620 18.789 1.00 0.00 H new ATOM 0 HA ILE A 23 42.303 41.925 19.563 1.00 0.00 H new ATOM 0 HB ILE A 23 42.504 38.993 19.817 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.953 40.285 21.249 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.168 39.415 22.164 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.467 39.186 21.284 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.808 39.581 19.583 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.645 40.884 20.784 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.750 41.616 23.133 1.00 0.00 H new ATOM 0 HD12 ILE A 23 43.420 41.514 22.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 42.186 42.397 21.594 1.00 0.00 H new ATOM 372 N GLU A 24 43.403 40.503 16.869 1.00 0.00 N ATOM 373 CA GLU A 24 44.291 40.793 15.761 1.00 0.00 C ATOM 374 C GLU A 24 44.013 42.163 15.138 1.00 0.00 C ATOM 375 O GLU A 24 44.936 42.869 14.737 1.00 0.00 O ATOM 376 CB GLU A 24 44.230 39.687 14.713 1.00 0.00 C ATOM 377 CG GLU A 24 45.487 39.685 13.849 1.00 0.00 C ATOM 378 CD GLU A 24 45.496 38.651 12.722 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.468 38.433 12.046 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.580 38.087 12.459 1.00 0.00 O ATOM 0 H GLU A 24 42.741 39.748 16.688 1.00 0.00 H new ATOM 0 HA GLU A 24 45.304 40.830 16.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.120 38.720 15.205 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.351 39.826 14.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.611 40.676 13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.350 39.508 14.491 1.00 0.00 H new ATOM 387 N ASN A 25 42.755 42.592 15.097 1.00 0.00 N ATOM 388 CA ASN A 25 42.371 43.913 14.641 1.00 0.00 C ATOM 389 C ASN A 25 42.792 45.009 15.623 1.00 0.00 C ATOM 390 O ASN A 25 43.283 46.052 15.201 1.00 0.00 O ATOM 391 CB ASN A 25 40.869 43.954 14.376 1.00 0.00 C ATOM 392 CG ASN A 25 40.445 43.171 13.132 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.246 42.721 12.315 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.142 43.061 12.893 1.00 0.00 N ATOM 0 H ASN A 25 41.964 42.017 15.386 1.00 0.00 H new ATOM 0 HA ASN A 25 42.900 44.114 13.709 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.344 43.553 15.243 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.556 44.992 14.266 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.817 42.607 12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.468 43.430 13.563 1.00 0.00 H new ATOM 401 N VAL A 26 42.685 44.761 16.925 1.00 0.00 N ATOM 402 CA VAL A 26 43.226 45.640 17.942 1.00 0.00 C ATOM 403 C VAL A 26 44.736 45.807 17.760 1.00 0.00 C ATOM 404 O VAL A 26 45.204 46.940 17.669 1.00 0.00 O ATOM 405 CB VAL A 26 42.883 45.162 19.351 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.526 46.030 20.428 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.377 45.210 19.596 1.00 0.00 C ATOM 0 H VAL A 26 42.216 43.937 17.301 1.00 0.00 H new ATOM 0 HA VAL A 26 42.757 46.616 17.819 1.00 0.00 H new ATOM 0 HB VAL A 26 43.263 44.142 19.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.253 45.650 21.413 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.610 46.004 20.317 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.175 47.057 20.325 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.162 44.864 20.607 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.022 46.234 19.479 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.871 44.566 18.877 1.00 0.00 H new ATOM 417 N LYS A 27 45.495 44.728 17.597 1.00 0.00 N ATOM 418 CA LYS A 27 46.925 44.793 17.368 1.00 0.00 C ATOM 419 C LYS A 27 47.299 45.556 16.096 1.00 0.00 C ATOM 420 O LYS A 27 48.260 46.322 16.117 1.00 0.00 O ATOM 421 CB LYS A 27 47.528 43.391 17.362 1.00 0.00 C ATOM 422 CG LYS A 27 47.525 42.708 18.726 1.00 0.00 C ATOM 423 CD LYS A 27 48.014 41.267 18.608 1.00 0.00 C ATOM 424 CE LYS A 27 47.947 40.539 19.948 1.00 0.00 C ATOM 425 NZ LYS A 27 48.318 39.121 19.816 1.00 0.00 N ATOM 0 H LYS A 27 45.126 43.777 17.621 1.00 0.00 H new ATOM 0 HA LYS A 27 47.349 45.361 18.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.975 42.772 16.656 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.554 43.450 16.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.164 43.259 19.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.518 42.723 19.144 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.408 40.736 17.874 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.040 41.259 18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.614 41.025 20.660 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.938 40.615 20.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.459 38.534 19.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.818 38.975 18.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.939 38.850 20.605 1.00 0.00 H new ATOM 439 N ALA A 28 46.534 45.424 15.016 1.00 0.00 N ATOM 440 CA ALA A 28 46.763 46.153 13.785 1.00 0.00 C ATOM 441 C ALA A 28 46.398 47.637 13.854 1.00 0.00 C ATOM 442 O ALA A 28 47.038 48.458 13.201 1.00 0.00 O ATOM 443 CB ALA A 28 46.015 45.443 12.661 1.00 0.00 C ATOM 0 H ALA A 28 45.729 44.799 14.977 1.00 0.00 H new ATOM 0 HA ALA A 28 47.836 46.151 13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.174 45.977 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.386 44.423 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.949 45.422 12.890 1.00 0.00 H new ATOM 449 N LYS A 29 45.425 48.023 14.674 1.00 0.00 N ATOM 450 CA LYS A 29 45.095 49.407 14.949 1.00 0.00 C ATOM 451 C LYS A 29 46.065 50.076 15.926 1.00 0.00 C ATOM 452 O LYS A 29 46.309 51.273 15.792 1.00 0.00 O ATOM 453 CB LYS A 29 43.634 49.525 15.373 1.00 0.00 C ATOM 454 CG LYS A 29 42.735 49.510 14.141 1.00 0.00 C ATOM 455 CD LYS A 29 41.252 49.695 14.448 1.00 0.00 C ATOM 456 CE LYS A 29 40.631 48.444 15.063 1.00 0.00 C ATOM 457 NZ LYS A 29 39.172 48.591 15.185 1.00 0.00 N ATOM 0 H LYS A 29 44.833 47.361 15.175 1.00 0.00 H new ATOM 0 HA LYS A 29 45.217 49.969 14.023 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.371 48.701 16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.482 50.447 15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.055 50.300 13.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.871 48.564 13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.126 50.535 15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.721 49.949 13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.863 47.576 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.066 48.262 16.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.751 47.676 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.954 49.293 15.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.778 48.908 14.276 1.00 0.00 H new ATOM 471 N ILE A 30 46.691 49.313 16.816 1.00 0.00 N ATOM 472 CA ILE A 30 47.865 49.718 17.563 1.00 0.00 C ATOM 473 C ILE A 30 49.043 49.938 16.612 1.00 0.00 C ATOM 474 O ILE A 30 49.703 50.971 16.703 1.00 0.00 O ATOM 475 CB ILE A 30 48.191 48.724 18.674 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.102 48.728 19.741 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.544 49.027 19.312 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.159 47.550 20.711 1.00 0.00 C ATOM 0 H ILE A 30 46.382 48.367 17.040 1.00 0.00 H new ATOM 0 HA ILE A 30 47.656 50.667 18.056 1.00 0.00 H new ATOM 0 HB ILE A 30 48.239 47.734 18.221 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.173 49.655 20.311 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.129 48.730 19.249 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.746 48.301 20.099 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.325 48.967 18.554 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.529 50.030 19.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.348 47.635 21.434 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.055 46.617 20.157 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.115 47.556 21.235 1.00 0.00 H new ATOM 490 N GLN A 31 49.279 49.042 15.658 1.00 0.00 N ATOM 491 CA GLN A 31 50.324 49.186 14.664 1.00 0.00 C ATOM 492 C GLN A 31 50.175 50.469 13.844 1.00 0.00 C ATOM 493 O GLN A 31 51.175 51.143 13.605 1.00 0.00 O ATOM 494 CB GLN A 31 50.369 47.943 13.780 1.00 0.00 C ATOM 495 CG GLN A 31 51.575 47.912 12.845 1.00 0.00 C ATOM 496 CD GLN A 31 51.643 46.636 12.003 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.652 45.976 11.698 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.835 46.233 11.572 1.00 0.00 N ATOM 0 H GLN A 31 48.738 48.183 15.557 1.00 0.00 H new ATOM 0 HA GLN A 31 51.278 49.277 15.183 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.385 47.056 14.413 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.456 47.894 13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.537 48.777 12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.488 48.002 13.434 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.671 46.765 11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.913 45.392 11.001 1.00 0.00 H new ATOM 507 N ASP A 32 48.964 50.862 13.460 1.00 0.00 N ATOM 508 CA ASP A 32 48.723 52.097 12.742 1.00 0.00 C ATOM 509 C ASP A 32 49.000 53.372 13.541 1.00 0.00 C ATOM 510 O ASP A 32 49.192 54.428 12.942 1.00 0.00 O ATOM 511 CB ASP A 32 47.308 52.100 12.172 1.00 0.00 C ATOM 512 CG ASP A 32 47.098 53.173 11.101 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.917 53.241 10.159 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.100 53.923 11.170 1.00 0.00 O ATOM 0 H ASP A 32 48.118 50.323 13.643 1.00 0.00 H new ATOM 0 HA ASP A 32 49.452 52.119 11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.092 51.121 11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.596 52.258 12.982 1.00 0.00 H new ATOM 519 N LYS A 33 49.062 53.303 14.868 1.00 0.00 N ATOM 520 CA LYS A 33 49.270 54.445 15.736 1.00 0.00 C ATOM 521 C LYS A 33 50.644 54.509 16.407 1.00 0.00 C ATOM 522 O LYS A 33 51.171 55.605 16.581 1.00 0.00 O ATOM 523 CB LYS A 33 48.137 54.531 16.755 1.00 0.00 C ATOM 524 CG LYS A 33 46.847 55.039 16.118 1.00 0.00 C ATOM 525 CD LYS A 33 45.737 55.349 17.118 1.00 0.00 C ATOM 526 CE LYS A 33 46.129 56.479 18.068 1.00 0.00 C ATOM 527 NZ LYS A 33 45.001 56.932 18.896 1.00 0.00 N ATOM 0 H LYS A 33 48.966 52.425 15.377 1.00 0.00 H new ATOM 0 HA LYS A 33 49.255 55.323 15.090 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.965 53.548 17.193 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.428 55.195 17.569 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.068 55.940 15.546 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.486 54.293 15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.830 55.624 16.580 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.506 54.453 17.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.939 56.142 18.715 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.512 57.320 17.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.342 57.614 19.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.288 57.388 18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.575 56.115 19.379 1.00 0.00 H new ATOM 541 N GLU A 34 51.242 53.374 16.761 1.00 0.00 N ATOM 542 CA GLU A 34 52.504 53.292 17.469 1.00 0.00 C ATOM 543 C GLU A 34 53.594 52.530 16.713 1.00 0.00 C ATOM 544 O GLU A 34 54.714 52.408 17.203 1.00 0.00 O ATOM 545 CB GLU A 34 52.277 52.680 18.848 1.00 0.00 C ATOM 546 CG GLU A 34 51.369 53.489 19.768 1.00 0.00 C ATOM 547 CD GLU A 34 51.898 54.893 20.065 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.094 55.062 20.386 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.117 55.869 20.023 1.00 0.00 O ATOM 0 H GLU A 34 50.843 52.459 16.553 1.00 0.00 H new ATOM 0 HA GLU A 34 52.876 54.312 17.564 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.849 51.685 18.722 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.243 52.552 19.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.382 53.570 19.312 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.243 52.950 20.707 1.00 0.00 H new ATOM 556 N GLY A 35 53.295 51.986 15.537 1.00 0.00 N ATOM 557 CA GLY A 35 54.242 51.289 14.691 1.00 0.00 C ATOM 558 C GLY A 35 54.641 49.885 15.146 1.00 0.00 C ATOM 559 O GLY A 35 55.397 49.216 14.446 1.00 0.00 O ATOM 0 H GLY A 35 52.356 52.023 15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.820 51.218 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.145 51.895 14.614 1.00 0.00 H new ATOM 563 N ILE A 36 54.143 49.418 16.288 1.00 0.00 N ATOM 564 CA ILE A 36 54.541 48.165 16.897 1.00 0.00 C ATOM 565 C ILE A 36 53.930 47.009 16.102 1.00 0.00 C ATOM 566 O ILE A 36 52.706 46.937 16.028 1.00 0.00 O ATOM 567 CB ILE A 36 54.151 48.109 18.371 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.663 49.317 19.151 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.674 46.821 19.000 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.133 49.432 20.578 1.00 0.00 C ATOM 0 H ILE A 36 53.434 49.918 16.824 1.00 0.00 H new ATOM 0 HA ILE A 36 55.627 48.080 16.866 1.00 0.00 H new ATOM 0 HB ILE A 36 53.062 48.128 18.421 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.752 49.274 19.186 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.397 50.223 18.606 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.391 46.789 20.052 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.245 45.963 18.483 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.760 46.790 18.915 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.552 50.320 21.051 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.046 49.511 20.557 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.422 48.548 21.146 1.00 0.00 H new ATOM 582 N PRO A 37 54.703 46.100 15.514 1.00 0.00 N ATOM 583 CA PRO A 37 54.158 45.014 14.725 1.00 0.00 C ATOM 584 C PRO A 37 53.396 44.014 15.597 1.00 0.00 C ATOM 585 O PRO A 37 53.775 43.795 16.745 1.00 0.00 O ATOM 586 CB PRO A 37 55.350 44.388 14.006 1.00 0.00 C ATOM 587 CG PRO A 37 56.511 44.666 14.955 1.00 0.00 C ATOM 588 CD PRO A 37 56.149 46.026 15.548 1.00 0.00 C ATOM 0 HA PRO A 37 53.420 45.366 14.004 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.208 43.319 13.845 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.513 44.839 13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.596 43.899 15.725 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.465 44.696 14.428 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.521 46.119 16.568 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.596 46.836 14.971 1.00 0.00 H new ATOM 596 N PRO A 38 52.335 43.393 15.092 1.00 0.00 N ATOM 597 CA PRO A 38 51.450 42.558 15.880 1.00 0.00 C ATOM 598 C PRO A 38 52.168 41.359 16.501 1.00 0.00 C ATOM 599 O PRO A 38 51.829 40.963 17.614 1.00 0.00 O ATOM 600 CB PRO A 38 50.335 42.127 14.930 1.00 0.00 C ATOM 601 CG PRO A 38 50.985 42.200 13.552 1.00 0.00 C ATOM 602 CD PRO A 38 51.899 43.412 13.710 1.00 0.00 C ATOM 0 HA PRO A 38 51.057 43.109 16.734 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.985 41.120 15.155 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.471 42.788 15.001 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.542 41.294 13.313 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.251 42.341 12.759 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.749 43.354 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.369 44.336 13.479 1.00 0.00 H new ATOM 610 N ASP A 39 53.207 40.830 15.862 1.00 0.00 N ATOM 611 CA ASP A 39 53.994 39.720 16.361 1.00 0.00 C ATOM 612 C ASP A 39 55.061 40.105 17.387 1.00 0.00 C ATOM 613 O ASP A 39 55.857 39.256 17.784 1.00 0.00 O ATOM 614 CB ASP A 39 54.523 38.896 15.190 1.00 0.00 C ATOM 615 CG ASP A 39 55.685 39.526 14.420 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.539 40.681 13.965 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.706 38.833 14.220 1.00 0.00 O ATOM 0 H ASP A 39 53.529 41.175 14.958 1.00 0.00 H new ATOM 0 HA ASP A 39 53.328 39.085 16.946 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.842 37.924 15.566 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.703 38.715 14.495 1.00 0.00 H new ATOM 622 N GLN A 40 55.079 41.349 17.859 1.00 0.00 N ATOM 623 CA GLN A 40 55.683 41.741 19.116 1.00 0.00 C ATOM 624 C GLN A 40 54.671 41.915 20.251 1.00 0.00 C ATOM 625 O GLN A 40 55.080 41.890 21.410 1.00 0.00 O ATOM 626 CB GLN A 40 56.478 43.032 18.942 1.00 0.00 C ATOM 627 CG GLN A 40 57.962 42.793 18.678 1.00 0.00 C ATOM 628 CD GLN A 40 58.671 42.149 19.872 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.743 42.691 20.972 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.215 40.944 19.723 1.00 0.00 N ATOM 0 H GLN A 40 54.659 42.131 17.357 1.00 0.00 H new ATOM 0 HA GLN A 40 56.345 40.923 19.401 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.056 43.602 18.115 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.369 43.642 19.839 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.074 42.152 17.804 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.444 43.742 18.442 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.169 40.472 18.820 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.678 40.492 20.512 1.00 0.00 H new ATOM 639 N GLN A 41 53.387 42.104 19.962 1.00 0.00 N ATOM 640 CA GLN A 41 52.398 42.532 20.930 1.00 0.00 C ATOM 641 C GLN A 41 51.767 41.359 21.683 1.00 0.00 C ATOM 642 O GLN A 41 51.215 40.456 21.058 1.00 0.00 O ATOM 643 CB GLN A 41 51.298 43.339 20.245 1.00 0.00 C ATOM 644 CG GLN A 41 51.740 44.627 19.555 1.00 0.00 C ATOM 645 CD GLN A 41 50.554 45.359 18.924 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.474 45.454 19.504 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.668 45.886 17.708 1.00 0.00 N ATOM 0 H GLN A 41 53.003 41.959 19.028 1.00 0.00 H new ATOM 0 HA GLN A 41 52.922 43.153 21.657 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.815 42.701 19.504 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.543 43.591 20.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.229 45.280 20.278 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.477 44.395 18.786 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.553 45.821 17.205 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.870 46.355 17.279 1.00 0.00 H new ATOM 656 N ARG A 42 51.764 41.419 23.012 1.00 0.00 N ATOM 657 CA ARG A 42 50.901 40.649 23.885 1.00 0.00 C ATOM 658 C ARG A 42 49.930 41.587 24.606 1.00 0.00 C ATOM 659 O ARG A 42 50.368 42.565 25.209 1.00 0.00 O ATOM 660 CB ARG A 42 51.735 39.866 24.895 1.00 0.00 C ATOM 661 CG ARG A 42 52.276 38.545 24.355 1.00 0.00 C ATOM 662 CD ARG A 42 53.274 37.965 25.352 1.00 0.00 C ATOM 663 NE ARG A 42 53.456 36.523 25.182 1.00 0.00 N ATOM 664 CZ ARG A 42 54.483 35.776 25.610 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.616 36.312 26.085 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.382 34.441 25.573 1.00 0.00 N ATOM 0 H ARG A 42 52.393 42.035 23.527 1.00 0.00 H new ATOM 0 HA ARG A 42 50.329 39.938 23.288 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.572 40.485 25.219 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.127 39.665 25.777 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.458 37.843 24.191 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.758 38.703 23.390 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.235 38.466 25.234 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.931 38.168 26.366 1.00 0.00 H new ATOM 0 HE ARG A 42 52.717 36.030 24.681 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.721 37.326 26.131 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.374 35.706 26.401 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.530 34.004 25.222 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.157 33.862 25.896 1.00 0.00 H new ATOM 680 N LEU A 43 48.632 41.303 24.547 1.00 0.00 N ATOM 681 CA LEU A 43 47.587 42.093 25.165 1.00 0.00 C ATOM 682 C LEU A 43 46.990 41.396 26.388 1.00 0.00 C ATOM 683 O LEU A 43 46.580 40.238 26.323 1.00 0.00 O ATOM 684 CB LEU A 43 46.529 42.487 24.138 1.00 0.00 C ATOM 685 CG LEU A 43 47.028 43.337 22.973 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.862 43.698 22.057 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.682 44.644 23.415 1.00 0.00 C ATOM 0 H LEU A 43 48.273 40.488 24.050 1.00 0.00 H new ATOM 0 HA LEU A 43 48.036 43.014 25.537 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.082 41.578 23.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.736 43.033 24.650 1.00 0.00 H new ATOM 0 HG LEU A 43 47.777 42.732 22.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.225 44.305 21.228 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.409 42.786 21.668 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.118 44.261 22.620 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.014 45.200 22.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.960 45.242 23.972 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.539 44.425 24.052 1.00 0.00 H new ATOM 699 N ILE A 44 46.945 42.118 27.504 1.00 0.00 N ATOM 700 CA ILE A 44 46.582 41.639 28.822 1.00 0.00 C ATOM 701 C ILE A 44 45.371 42.416 29.343 1.00 0.00 C ATOM 702 O ILE A 44 45.292 43.630 29.177 1.00 0.00 O ATOM 703 CB ILE A 44 47.765 41.764 29.778 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.116 41.298 29.244 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.472 41.092 31.116 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.206 39.838 28.810 1.00 0.00 C ATOM 0 H ILE A 44 47.176 43.112 27.506 1.00 0.00 H new ATOM 0 HA ILE A 44 46.313 40.585 28.757 1.00 0.00 H new ATOM 0 HB ILE A 44 47.871 42.841 29.907 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.382 41.925 28.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.867 41.472 30.015 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.335 41.199 31.774 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.604 41.563 31.577 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.268 40.033 30.955 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.213 39.627 28.450 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.981 39.192 29.658 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.488 39.651 28.011 1.00 0.00 H new ATOM 718 N PHE A 45 44.435 41.721 29.985 1.00 0.00 N ATOM 719 CA PHE A 45 43.284 42.330 30.621 1.00 0.00 C ATOM 720 C PHE A 45 42.734 41.491 31.775 1.00 0.00 C ATOM 721 O PHE A 45 42.479 40.301 31.608 1.00 0.00 O ATOM 722 CB PHE A 45 42.190 42.548 29.579 1.00 0.00 C ATOM 723 CG PHE A 45 41.005 43.326 30.100 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.160 44.674 30.447 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.762 42.704 30.264 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.080 45.396 30.970 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.684 43.422 30.796 1.00 0.00 C ATOM 728 CZ PHE A 45 38.841 44.769 31.146 1.00 0.00 C ATOM 0 H PHE A 45 44.461 40.705 30.076 1.00 0.00 H new ATOM 0 HA PHE A 45 43.609 43.281 31.043 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.614 43.076 28.725 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.847 41.579 29.216 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.116 45.158 30.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.634 41.670 29.980 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.203 46.435 31.237 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.730 42.936 30.937 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.007 45.323 31.551 1.00 0.00 H new ATOM 738 N ALA A 46 42.471 42.119 32.917 1.00 0.00 N ATOM 739 CA ALA A 46 41.807 41.534 34.066 1.00 0.00 C ATOM 740 C ALA A 46 42.419 40.213 34.536 1.00 0.00 C ATOM 741 O ALA A 46 41.760 39.177 34.618 1.00 0.00 O ATOM 742 CB ALA A 46 40.301 41.510 33.820 1.00 0.00 C ATOM 0 H ALA A 46 42.729 43.094 33.068 1.00 0.00 H new ATOM 0 HA ALA A 46 41.980 42.172 34.933 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.799 41.071 34.682 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.941 42.528 33.670 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.087 40.914 32.933 1.00 0.00 H new ATOM 748 N GLY A 47 43.724 40.223 34.787 1.00 0.00 N ATOM 749 CA GLY A 47 44.473 39.117 35.350 1.00 0.00 C ATOM 750 C GLY A 47 44.829 37.980 34.391 1.00 0.00 C ATOM 751 O GLY A 47 45.334 36.962 34.862 1.00 0.00 O ATOM 0 H GLY A 47 44.308 41.037 34.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.398 39.510 35.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.897 38.700 36.176 1.00 0.00 H new ATOM 755 N LYS A 48 44.582 38.108 33.091 1.00 0.00 N ATOM 756 CA LYS A 48 44.906 37.114 32.088 1.00 0.00 C ATOM 757 C LYS A 48 45.331 37.698 30.738 1.00 0.00 C ATOM 758 O LYS A 48 45.009 38.840 30.417 1.00 0.00 O ATOM 759 CB LYS A 48 43.783 36.087 31.982 1.00 0.00 C ATOM 760 CG LYS A 48 42.360 36.587 31.745 1.00 0.00 C ATOM 761 CD LYS A 48 42.087 37.079 30.326 1.00 0.00 C ATOM 762 CE LYS A 48 40.630 37.479 30.117 1.00 0.00 C ATOM 763 NZ LYS A 48 40.255 38.648 30.926 1.00 0.00 N ATOM 0 H LYS A 48 44.135 38.937 32.699 1.00 0.00 H new ATOM 0 HA LYS A 48 45.803 36.596 32.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.034 35.404 31.171 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.780 35.502 32.902 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.663 35.782 31.977 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.153 37.398 32.443 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.729 37.933 30.111 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.351 36.295 29.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.463 37.700 29.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.984 36.639 30.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.588 39.241 30.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.805 38.330 31.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.106 39.201 31.152 1.00 0.00 H new ATOM 777 N GLN A 49 46.033 36.897 29.942 1.00 0.00 N ATOM 778 CA GLN A 49 46.364 37.207 28.567 1.00 0.00 C ATOM 779 C GLN A 49 45.176 36.970 27.630 1.00 0.00 C ATOM 780 O GLN A 49 44.392 36.048 27.842 1.00 0.00 O ATOM 781 CB GLN A 49 47.608 36.438 28.134 1.00 0.00 C ATOM 782 CG GLN A 49 48.050 36.773 26.713 1.00 0.00 C ATOM 783 CD GLN A 49 49.453 36.253 26.393 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.457 36.924 26.621 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.582 35.039 25.865 1.00 0.00 N ATOM 0 H GLN A 49 46.393 35.994 30.249 1.00 0.00 H new ATOM 0 HA GLN A 49 46.594 38.270 28.501 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.423 36.658 28.824 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.410 35.368 28.205 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.339 36.347 26.006 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.027 37.854 26.575 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.754 34.476 25.673 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.509 34.671 25.652 1.00 0.00 H new ATOM 794 N LEU A 50 45.074 37.793 26.591 1.00 0.00 N ATOM 795 CA LEU A 50 44.137 37.669 25.492 1.00 0.00 C ATOM 796 C LEU A 50 44.860 37.183 24.234 1.00 0.00 C ATOM 797 O LEU A 50 45.944 37.665 23.914 1.00 0.00 O ATOM 798 CB LEU A 50 43.461 39.011 25.223 1.00 0.00 C ATOM 799 CG LEU A 50 42.889 39.760 26.423 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.210 41.044 25.957 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.848 38.939 27.181 1.00 0.00 C ATOM 0 H LEU A 50 45.679 38.608 26.493 1.00 0.00 H new ATOM 0 HA LEU A 50 43.374 36.939 25.763 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.186 39.662 24.734 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.651 38.844 24.512 1.00 0.00 H new ATOM 0 HG LEU A 50 43.728 39.968 27.087 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.804 41.574 26.818 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.938 41.678 25.451 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.402 40.799 25.268 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.473 39.517 28.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.022 38.693 26.514 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.305 38.019 27.546 1.00 0.00 H new ATOM 813 N GLU A 51 44.248 36.273 23.482 1.00 0.00 N ATOM 814 CA GLU A 51 44.750 35.744 22.230 1.00 0.00 C ATOM 815 C GLU A 51 43.865 36.103 21.034 1.00 0.00 C ATOM 816 O GLU A 51 42.662 36.316 21.162 1.00 0.00 O ATOM 817 CB GLU A 51 44.979 34.244 22.391 1.00 0.00 C ATOM 818 CG GLU A 51 45.601 33.592 21.159 1.00 0.00 C ATOM 819 CD GLU A 51 46.377 32.324 21.519 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.764 31.293 21.874 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.623 32.361 21.426 1.00 0.00 O ATOM 0 H GLU A 51 43.349 35.870 23.746 1.00 0.00 H new ATOM 0 HA GLU A 51 45.705 36.216 21.998 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.627 34.073 23.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.027 33.760 22.608 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.817 33.347 20.442 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.269 34.301 20.671 1.00 0.00 H new ATOM 828 N ASP A 52 44.464 36.172 19.848 1.00 0.00 N ATOM 829 CA ASP A 52 43.917 36.648 18.594 1.00 0.00 C ATOM 830 C ASP A 52 42.677 35.923 18.066 1.00 0.00 C ATOM 831 O ASP A 52 41.904 36.537 17.334 1.00 0.00 O ATOM 832 CB ASP A 52 45.021 36.596 17.541 1.00 0.00 C ATOM 833 CG ASP A 52 46.277 37.358 17.965 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.040 36.848 18.814 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.516 38.485 17.480 1.00 0.00 O ATOM 0 H ASP A 52 45.431 35.867 19.738 1.00 0.00 H new ATOM 0 HA ASP A 52 43.566 37.659 18.798 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.281 35.556 17.344 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.646 37.013 16.606 1.00 0.00 H new ATOM 840 N GLY A 53 42.442 34.666 18.432 1.00 0.00 N ATOM 841 CA GLY A 53 41.339 33.858 17.953 1.00 0.00 C ATOM 842 C GLY A 53 39.946 34.197 18.490 1.00 0.00 C ATOM 843 O GLY A 53 39.040 33.378 18.355 1.00 0.00 O ATOM 0 H GLY A 53 43.039 34.170 19.094 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.311 33.933 16.866 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.551 32.817 18.195 1.00 0.00 H new ATOM 847 N ARG A 54 39.757 35.344 19.136 1.00 0.00 N ATOM 848 CA ARG A 54 38.538 35.760 19.801 1.00 0.00 C ATOM 849 C ARG A 54 38.288 37.263 19.663 1.00 0.00 C ATOM 850 O ARG A 54 39.216 38.045 19.471 1.00 0.00 O ATOM 851 CB ARG A 54 38.603 35.355 21.271 1.00 0.00 C ATOM 852 CG ARG A 54 38.074 33.949 21.539 1.00 0.00 C ATOM 853 CD ARG A 54 38.324 33.484 22.971 1.00 0.00 C ATOM 854 NE ARG A 54 39.743 33.274 23.258 1.00 0.00 N ATOM 855 CZ ARG A 54 40.509 32.275 22.801 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.043 31.304 22.003 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.811 32.193 23.109 1.00 0.00 N ATOM 0 H ARG A 54 40.496 36.044 19.210 1.00 0.00 H new ATOM 0 HA ARG A 54 37.699 35.259 19.318 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.637 35.417 21.611 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.030 36.069 21.862 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.003 33.924 21.336 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.546 33.251 20.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.923 34.224 23.664 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.781 32.555 23.147 1.00 0.00 H new ATOM 0 HE ARG A 54 40.194 33.957 23.867 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.064 31.305 21.717 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.668 30.564 21.681 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.240 32.902 23.704 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.373 31.422 22.748 1.00 0.00 H new ATOM 871 N THR A 55 37.024 37.657 19.788 1.00 0.00 N ATOM 872 CA THR A 55 36.591 39.039 19.784 1.00 0.00 C ATOM 873 C THR A 55 36.561 39.663 21.181 1.00 0.00 C ATOM 874 O THR A 55 36.568 38.963 22.191 1.00 0.00 O ATOM 875 CB THR A 55 35.225 39.213 19.127 1.00 0.00 C ATOM 876 OG1 THR A 55 34.216 38.653 19.937 1.00 0.00 O ATOM 877 CG2 THR A 55 35.119 38.587 17.738 1.00 0.00 C ATOM 0 H THR A 55 36.253 36.998 19.898 1.00 0.00 H new ATOM 0 HA THR A 55 37.341 39.565 19.194 1.00 0.00 H new ATOM 0 HB THR A 55 35.096 40.290 19.015 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.496 37.764 20.240 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.118 38.754 17.339 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.854 39.044 17.076 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.308 37.516 17.806 1.00 0.00 H new ATOM 885 N LEU A 56 36.466 40.988 21.258 1.00 0.00 N ATOM 886 CA LEU A 56 36.283 41.690 22.513 1.00 0.00 C ATOM 887 C LEU A 56 35.034 41.235 23.270 1.00 0.00 C ATOM 888 O LEU A 56 35.076 41.141 24.495 1.00 0.00 O ATOM 889 CB LEU A 56 36.270 43.193 22.251 1.00 0.00 C ATOM 890 CG LEU A 56 37.587 43.754 21.722 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.421 45.249 21.465 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.751 43.590 22.694 1.00 0.00 C ATOM 0 H LEU A 56 36.515 41.602 20.445 1.00 0.00 H new ATOM 0 HA LEU A 56 37.122 41.446 23.165 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.480 43.417 21.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.016 43.708 23.177 1.00 0.00 H new ATOM 0 HG LEU A 56 37.819 43.194 20.816 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.357 45.659 21.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.632 45.406 20.729 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.155 45.751 22.395 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.655 44.011 22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.524 44.111 23.624 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.907 42.531 22.900 1.00 0.00 H new ATOM 904 N SER A 57 33.950 40.884 22.584 1.00 0.00 N ATOM 905 CA SER A 57 32.749 40.334 23.180 1.00 0.00 C ATOM 906 C SER A 57 32.859 38.861 23.575 1.00 0.00 C ATOM 907 O SER A 57 32.218 38.481 24.553 1.00 0.00 O ATOM 908 CB SER A 57 31.521 40.571 22.306 1.00 0.00 C ATOM 909 OG SER A 57 31.648 39.940 21.051 1.00 0.00 O ATOM 0 H SER A 57 33.887 40.979 21.570 1.00 0.00 H new ATOM 0 HA SER A 57 32.626 40.885 24.113 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.633 40.195 22.815 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.377 41.642 22.163 1.00 0.00 H new ATOM 0 HG SER A 57 32.186 40.502 20.455 1.00 0.00 H new ATOM 915 N ASP A 58 33.698 38.046 22.941 1.00 0.00 N ATOM 916 CA ASP A 58 34.067 36.750 23.472 1.00 0.00 C ATOM 917 C ASP A 58 34.774 36.874 24.824 1.00 0.00 C ATOM 918 O ASP A 58 34.585 36.038 25.705 1.00 0.00 O ATOM 919 CB ASP A 58 34.975 35.979 22.517 1.00 0.00 C ATOM 920 CG ASP A 58 34.269 35.481 21.254 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.487 34.510 21.348 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.520 36.037 20.163 1.00 0.00 O ATOM 0 H ASP A 58 34.137 38.270 22.048 1.00 0.00 H new ATOM 0 HA ASP A 58 33.133 36.202 23.599 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.808 36.620 22.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.399 35.125 23.045 1.00 0.00 H new ATOM 927 N TYR A 59 35.550 37.935 25.021 1.00 0.00 N ATOM 928 CA TYR A 59 36.148 38.292 26.292 1.00 0.00 C ATOM 929 C TYR A 59 35.244 39.138 27.191 1.00 0.00 C ATOM 930 O TYR A 59 35.642 39.433 28.316 1.00 0.00 O ATOM 931 CB TYR A 59 37.497 38.961 26.048 1.00 0.00 C ATOM 932 CG TYR A 59 38.525 38.102 25.350 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.033 38.482 24.103 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.986 36.934 25.969 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.991 37.691 23.457 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.956 36.142 25.344 1.00 0.00 C ATOM 937 CZ TYR A 59 40.462 36.521 24.084 1.00 0.00 C ATOM 938 OH TYR A 59 41.389 35.729 23.475 1.00 0.00 O ATOM 0 H TYR A 59 35.784 38.588 24.273 1.00 0.00 H new ATOM 0 HA TYR A 59 36.296 37.367 26.850 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.336 39.861 25.455 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.905 39.280 27.007 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.684 39.391 23.636 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.592 36.643 26.932 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.366 37.976 22.485 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.315 35.244 25.825 1.00 0.00 H new ATOM 0 HH TYR A 59 41.625 36.112 22.604 1.00 0.00 H new ATOM 948 N ASN A 60 34.043 39.510 26.756 1.00 0.00 N ATOM 949 CA ASN A 60 33.095 40.345 27.466 1.00 0.00 C ATOM 950 C ASN A 60 33.640 41.705 27.905 1.00 0.00 C ATOM 951 O ASN A 60 33.332 42.178 28.997 1.00 0.00 O ATOM 952 CB ASN A 60 32.394 39.542 28.558 1.00 0.00 C ATOM 953 CG ASN A 60 31.651 38.324 28.006 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.556 38.440 27.460 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.218 37.128 28.137 1.00 0.00 N ATOM 0 H ASN A 60 33.691 39.216 25.845 1.00 0.00 H new ATOM 0 HA ASN A 60 32.327 40.642 26.752 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.130 39.213 29.291 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.689 40.187 29.082 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.744 36.297 27.783 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.127 37.042 28.592 1.00 0.00 H new ATOM 962 N ILE A 61 34.443 42.343 27.057 1.00 0.00 N ATOM 963 CA ILE A 61 35.059 43.635 27.281 1.00 0.00 C ATOM 964 C ILE A 61 34.113 44.762 26.861 1.00 0.00 C ATOM 965 O ILE A 61 33.409 44.657 25.860 1.00 0.00 O ATOM 966 CB ILE A 61 36.425 43.695 26.602 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.367 42.645 27.185 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.056 45.078 26.724 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.649 42.413 26.390 1.00 0.00 C ATOM 0 H ILE A 61 34.690 41.947 26.150 1.00 0.00 H new ATOM 0 HA ILE A 61 35.240 43.776 28.346 1.00 0.00 H new ATOM 0 HB ILE A 61 36.266 43.485 25.544 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.635 42.943 28.199 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.830 41.700 27.262 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.027 45.080 26.228 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.407 45.817 26.254 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.186 45.327 27.777 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.251 41.650 26.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.397 42.080 25.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.216 43.342 26.334 1.00 0.00 H new ATOM 981 N GLN A 62 34.095 45.850 27.627 1.00 0.00 N ATOM 982 CA GLN A 62 33.185 46.970 27.504 1.00 0.00 C ATOM 983 C GLN A 62 33.897 48.300 27.251 1.00 0.00 C ATOM 984 O GLN A 62 35.093 48.430 27.507 1.00 0.00 O ATOM 985 CB GLN A 62 32.299 47.041 28.745 1.00 0.00 C ATOM 986 CG GLN A 62 31.559 45.734 29.017 1.00 0.00 C ATOM 987 CD GLN A 62 30.467 45.895 30.077 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.726 46.234 31.230 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.204 45.655 29.737 1.00 0.00 N ATOM 0 H GLN A 62 34.757 45.974 28.393 1.00 0.00 H new ATOM 0 HA GLN A 62 32.567 46.798 26.623 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.912 47.293 29.610 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.574 47.846 28.623 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.113 45.372 28.091 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.272 44.977 29.345 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.977 45.373 28.783 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.462 45.753 30.430 1.00 0.00 H new ATOM 998 N LYS A 63 33.162 49.304 26.783 1.00 0.00 N ATOM 999 CA LYS A 63 33.669 50.618 26.443 1.00 0.00 C ATOM 1000 C LYS A 63 34.417 51.315 27.582 1.00 0.00 C ATOM 1001 O LYS A 63 34.116 51.107 28.755 1.00 0.00 O ATOM 1002 CB LYS A 63 32.560 51.494 25.866 1.00 0.00 C ATOM 1003 CG LYS A 63 31.444 51.889 26.830 1.00 0.00 C ATOM 1004 CD LYS A 63 30.405 52.742 26.109 1.00 0.00 C ATOM 1005 CE LYS A 63 29.275 53.136 27.055 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.313 54.046 26.415 1.00 0.00 N ATOM 0 H LYS A 63 32.158 49.215 26.626 1.00 0.00 H new ATOM 0 HA LYS A 63 34.423 50.461 25.672 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.012 52.405 25.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.114 50.970 25.021 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.972 50.995 27.238 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.859 52.443 27.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.879 53.638 25.708 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.999 52.190 25.261 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.756 52.239 27.393 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.694 53.615 27.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.562 54.289 27.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.802 54.913 26.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.894 53.580 25.585 1.00 0.00 H new ATOM 1020 N GLU A 64 35.396 52.141 27.225 1.00 0.00 N ATOM 1021 CA GLU A 64 36.311 52.846 28.100 1.00 0.00 C ATOM 1022 C GLU A 64 37.187 51.986 29.013 1.00 0.00 C ATOM 1023 O GLU A 64 37.873 52.513 29.886 1.00 0.00 O ATOM 1024 CB GLU A 64 35.621 53.979 28.854 1.00 0.00 C ATOM 1025 CG GLU A 64 35.182 55.141 27.968 1.00 0.00 C ATOM 1026 CD GLU A 64 34.732 56.358 28.778 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.963 57.188 28.245 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.130 56.505 29.954 1.00 0.00 O ATOM 0 H GLU A 64 35.579 52.346 26.243 1.00 0.00 H new ATOM 0 HA GLU A 64 37.035 53.280 27.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.748 53.579 29.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.298 54.356 29.620 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.007 55.428 27.315 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.365 54.815 27.325 1.00 0.00 H new ATOM 1035 N SER A 65 37.243 50.675 28.802 1.00 0.00 N ATOM 1036 CA SER A 65 38.198 49.815 29.472 1.00 0.00 C ATOM 1037 C SER A 65 39.620 50.015 28.946 1.00 0.00 C ATOM 1038 O SER A 65 39.809 50.347 27.778 1.00 0.00 O ATOM 1039 CB SER A 65 37.787 48.348 29.378 1.00 0.00 C ATOM 1040 OG SER A 65 36.465 48.171 29.836 1.00 0.00 O ATOM 0 H SER A 65 36.623 50.183 28.159 1.00 0.00 H new ATOM 0 HA SER A 65 38.196 50.102 30.524 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.868 48.008 28.346 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.467 47.736 29.970 1.00 0.00 H new ATOM 0 HG SER A 65 35.838 48.368 29.109 1.00 0.00 H new ATOM 1046 N THR A 66 40.627 49.804 29.790 1.00 0.00 N ATOM 1047 CA THR A 66 42.035 49.879 29.455 1.00 0.00 C ATOM 1048 C THR A 66 42.645 48.479 29.352 1.00 0.00 C ATOM 1049 O THR A 66 42.665 47.732 30.328 1.00 0.00 O ATOM 1050 CB THR A 66 42.814 50.728 30.455 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.458 52.088 30.332 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.325 50.714 30.240 1.00 0.00 C ATOM 0 H THR A 66 40.470 49.566 30.769 1.00 0.00 H new ATOM 0 HA THR A 66 42.109 50.366 28.482 1.00 0.00 H new ATOM 0 HB THR A 66 42.565 50.292 31.423 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.965 52.619 30.981 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.805 51.341 30.991 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.696 49.693 30.329 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.555 51.098 29.246 1.00 0.00 H new ATOM 1060 N LEU A 67 43.209 48.155 28.192 1.00 0.00 N ATOM 1061 CA LEU A 67 44.079 47.015 27.981 1.00 0.00 C ATOM 1062 C LEU A 67 45.515 47.360 28.378 1.00 0.00 C ATOM 1063 O LEU A 67 45.934 48.509 28.263 1.00 0.00 O ATOM 1064 CB LEU A 67 44.032 46.568 26.523 1.00 0.00 C ATOM 1065 CG LEU A 67 42.653 46.254 25.948 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.791 45.853 24.482 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.966 45.107 26.684 1.00 0.00 C ATOM 0 H LEU A 67 43.064 48.704 27.345 1.00 0.00 H new ATOM 0 HA LEU A 67 43.728 46.196 28.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.486 47.349 25.913 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.655 45.680 26.419 1.00 0.00 H new ATOM 0 HG LEU A 67 42.048 47.154 26.061 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.806 45.629 24.072 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.240 46.673 23.921 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.426 44.970 24.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.989 44.922 26.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.577 44.207 26.606 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.841 45.371 27.734 1.00 0.00 H new ATOM 1079 N HIS A 68 46.308 46.371 28.779 1.00 0.00 N ATOM 1080 CA HIS A 68 47.746 46.518 28.893 1.00 0.00 C ATOM 1081 C HIS A 68 48.458 45.856 27.712 1.00 0.00 C ATOM 1082 O HIS A 68 48.098 44.754 27.303 1.00 0.00 O ATOM 1083 CB HIS A 68 48.260 45.990 30.229 1.00 0.00 C ATOM 1084 CG HIS A 68 47.788 46.739 31.445 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.754 46.212 32.735 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.333 48.032 31.484 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.259 47.175 33.516 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.019 48.288 32.804 1.00 0.00 N ATOM 0 H HIS A 68 45.966 45.445 29.034 1.00 0.00 H new ATOM 0 HA HIS A 68 47.975 47.583 28.863 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.960 44.947 30.327 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.350 46.009 30.212 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.239 48.713 30.651 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.077 47.073 34.576 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.666 49.170 33.174 1.00 0.00 H new ATOM 1096 N LEU A 69 49.488 46.521 27.197 1.00 0.00 N ATOM 1097 CA LEU A 69 50.362 46.021 26.153 1.00 0.00 C ATOM 1098 C LEU A 69 51.746 45.736 26.739 1.00 0.00 C ATOM 1099 O LEU A 69 52.356 46.628 27.324 1.00 0.00 O ATOM 1100 CB LEU A 69 50.397 47.031 25.010 1.00 0.00 C ATOM 1101 CG LEU A 69 51.480 46.810 23.958 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.361 45.481 23.218 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.422 47.922 22.914 1.00 0.00 C ATOM 0 H LEU A 69 49.742 47.458 27.511 1.00 0.00 H new ATOM 0 HA LEU A 69 49.989 45.080 25.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.427 47.021 24.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.528 48.026 25.434 1.00 0.00 H new ATOM 0 HG LEU A 69 52.423 46.807 24.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.166 45.398 22.488 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.432 44.660 23.931 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.400 45.435 22.706 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.197 47.759 22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.445 47.917 22.431 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.582 48.885 23.399 1.00 0.00 H new ATOM 1115 N VAL A 70 52.256 44.526 26.530 1.00 0.00 N ATOM 1116 CA VAL A 70 53.636 44.159 26.772 1.00 0.00 C ATOM 1117 C VAL A 70 54.259 43.548 25.515 1.00 0.00 C ATOM 1118 O VAL A 70 53.564 42.957 24.690 1.00 0.00 O ATOM 1119 CB VAL A 70 53.810 43.257 27.991 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.337 43.952 29.265 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.112 41.906 27.872 1.00 0.00 C ATOM 0 H VAL A 70 51.695 43.751 26.175 1.00 0.00 H new ATOM 0 HA VAL A 70 54.174 45.077 27.009 1.00 0.00 H new ATOM 0 HB VAL A 70 54.881 43.062 28.042 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.474 43.284 30.116 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.918 44.861 29.420 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.282 44.207 29.170 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.285 41.326 28.779 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.041 42.060 27.738 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.511 41.365 27.014 1.00 0.00 H new