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= 0.731 K(o=1.6,f=-0.42) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.829 K(o=1.6,f=-0.28) USER MOD Set 2.1: A 55 THR OG1 : rot 108:sc= 1.19 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 3.1: A 25 ASN : amide:sc= 0.312 K(o=1.3,f=0.45) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 161:sc= 1.04 (180deg=0.845) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -142:sc= 1.12 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 178:sc= 0.958 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.26 (180deg=1.75) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.06 (180deg=-0.0897!) USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.237 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 2.23 (180deg=2.17) USER MOD Single : A 31 GLN : amide:sc= -0.824 X(o=-0.82,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 GLN : amide:sc= 1.42 K(o=1.4,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc=-0.00206 (180deg=-0.0978) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.54 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.37 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00852 X(o=-0.0085,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.428 51.513 20.978 1.00 0.00 N ATOM 2 CA MET A 1 32.810 51.672 22.390 1.00 0.00 C ATOM 3 C MET A 1 34.212 52.277 22.492 1.00 0.00 C ATOM 4 O MET A 1 35.110 51.820 21.788 1.00 0.00 O ATOM 5 CB MET A 1 32.686 50.376 23.187 1.00 0.00 C ATOM 6 CG MET A 1 33.591 49.223 22.765 1.00 0.00 C ATOM 7 SD MET A 1 33.350 47.732 23.763 1.00 0.00 S ATOM 8 CE MET A 1 34.521 46.613 22.957 1.00 0.00 C ATOM 0 H1 MET A 1 31.401 51.364 20.911 1.00 0.00 H new ATOM 0 H2 MET A 1 32.689 52.370 20.449 1.00 0.00 H new ATOM 0 H3 MET A 1 32.924 50.693 20.575 1.00 0.00 H new ATOM 0 HA MET A 1 32.102 52.363 22.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.887 50.600 24.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.652 50.037 23.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.404 48.986 21.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.631 49.539 22.840 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.497 45.643 23.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.246 46.492 21.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.526 47.030 23.022 1.00 0.00 H new ATOM 20 N GLN A 2 34.407 53.262 23.364 1.00 0.00 N ATOM 21 CA GLN A 2 35.718 53.820 23.633 1.00 0.00 C ATOM 22 C GLN A 2 36.483 52.935 24.619 1.00 0.00 C ATOM 23 O GLN A 2 35.945 52.553 25.655 1.00 0.00 O ATOM 24 CB GLN A 2 35.605 55.264 24.111 1.00 0.00 C ATOM 25 CG GLN A 2 36.965 55.933 24.280 1.00 0.00 C ATOM 26 CD GLN A 2 36.886 57.351 24.847 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.168 58.346 24.181 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.522 57.520 26.115 1.00 0.00 N ATOM 0 H GLN A 2 33.655 53.693 23.902 1.00 0.00 H new ATOM 0 HA GLN A 2 36.292 53.840 22.706 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.010 55.834 23.397 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.072 55.288 25.061 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.581 55.322 24.939 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.467 55.965 23.313 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.283 56.711 26.689 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.482 58.458 26.513 1.00 0.00 H new ATOM 37 N ILE A 3 37.745 52.645 24.315 1.00 0.00 N ATOM 38 CA ILE A 3 38.676 51.930 25.166 1.00 0.00 C ATOM 39 C ILE A 3 40.034 52.632 25.219 1.00 0.00 C ATOM 40 O ILE A 3 40.339 53.474 24.377 1.00 0.00 O ATOM 41 CB ILE A 3 38.825 50.470 24.746 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.403 50.307 23.343 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.500 49.726 24.887 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.904 48.898 23.039 1.00 0.00 C ATOM 0 H ILE A 3 38.161 52.918 23.424 1.00 0.00 H new ATOM 0 HA ILE A 3 38.258 51.935 26.173 1.00 0.00 H new ATOM 0 HB ILE A 3 39.549 50.023 25.427 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.639 50.576 22.613 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.226 51.010 23.216 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.631 48.688 24.582 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.172 49.760 25.926 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.749 50.198 24.254 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.299 48.864 22.024 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.691 48.632 23.744 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.080 48.191 23.131 1.00 0.00 H new ATOM 56 N PHE A 4 40.882 52.231 26.163 1.00 0.00 N ATOM 57 CA PHE A 4 42.248 52.696 26.297 1.00 0.00 C ATOM 58 C PHE A 4 43.253 51.542 26.281 1.00 0.00 C ATOM 59 O PHE A 4 42.938 50.433 26.707 1.00 0.00 O ATOM 60 CB PHE A 4 42.401 53.528 27.566 1.00 0.00 C ATOM 61 CG PHE A 4 41.388 54.639 27.710 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.478 55.778 26.900 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.335 54.520 28.625 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.519 56.793 27.006 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.374 55.532 28.728 1.00 0.00 C ATOM 66 CZ PHE A 4 39.463 56.671 27.918 1.00 0.00 C ATOM 0 H PHE A 4 40.622 51.550 26.877 1.00 0.00 H new ATOM 0 HA PHE A 4 42.468 53.323 25.433 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.324 52.868 28.430 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.401 53.960 27.584 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.288 55.874 26.192 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.264 53.644 29.253 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.594 57.672 26.383 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.562 55.434 29.434 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.721 57.452 27.996 1.00 0.00 H new ATOM 76 N VAL A 5 44.477 51.802 25.831 1.00 0.00 N ATOM 77 CA VAL A 5 45.586 50.869 25.840 1.00 0.00 C ATOM 78 C VAL A 5 46.825 51.539 26.437 1.00 0.00 C ATOM 79 O VAL A 5 47.141 52.666 26.063 1.00 0.00 O ATOM 80 CB VAL A 5 45.883 50.314 24.451 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.877 49.158 24.531 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.643 49.802 23.723 1.00 0.00 C ATOM 0 H VAL A 5 44.728 52.708 25.435 1.00 0.00 H new ATOM 0 HA VAL A 5 45.303 50.020 26.463 1.00 0.00 H new ATOM 0 HB VAL A 5 46.293 51.154 23.890 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.074 48.778 23.529 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.808 49.509 24.976 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.459 48.361 25.146 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.928 49.422 22.742 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.185 49.001 24.303 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.929 50.617 23.603 1.00 0.00 H new ATOM 92 N LYS A 6 47.518 50.867 27.352 1.00 0.00 N ATOM 93 CA LYS A 6 48.656 51.375 28.090 1.00 0.00 C ATOM 94 C LYS A 6 49.929 50.559 27.853 1.00 0.00 C ATOM 95 O LYS A 6 49.890 49.337 27.981 1.00 0.00 O ATOM 96 CB LYS A 6 48.336 51.383 29.581 1.00 0.00 C ATOM 97 CG LYS A 6 47.210 52.324 29.997 1.00 0.00 C ATOM 98 CD LYS A 6 47.556 53.810 29.952 1.00 0.00 C ATOM 99 CE LYS A 6 48.529 54.214 31.057 1.00 0.00 C ATOM 100 NZ LYS A 6 48.698 55.675 31.103 1.00 0.00 N ATOM 0 H LYS A 6 47.285 49.907 27.607 1.00 0.00 H new ATOM 0 HA LYS A 6 48.845 52.386 27.729 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.073 50.370 29.886 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.238 51.656 30.129 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.352 52.147 29.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.901 52.070 31.011 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.992 54.050 28.982 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.642 54.396 30.044 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.161 53.856 32.019 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.495 53.738 30.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.690 55.903 31.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.437 56.084 30.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.086 56.072 31.845 1.00 0.00 H new ATOM 168 N LYS A 11 52.626 55.416 28.087 1.00 0.00 N ATOM 169 CA LYS A 11 51.985 55.996 26.925 1.00 0.00 C ATOM 170 C LYS A 11 50.582 55.409 26.753 1.00 0.00 C ATOM 171 O LYS A 11 50.383 54.210 26.933 1.00 0.00 O ATOM 172 CB LYS A 11 52.844 55.828 25.676 1.00 0.00 C ATOM 173 CG LYS A 11 52.469 56.817 24.576 1.00 0.00 C ATOM 174 CD LYS A 11 53.340 56.697 23.328 1.00 0.00 C ATOM 175 CE LYS A 11 52.908 57.760 22.322 1.00 0.00 C ATOM 176 NZ LYS A 11 53.542 57.608 21.003 1.00 0.00 N ATOM 0 HA LYS A 11 51.878 57.070 27.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.893 55.962 25.939 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.737 54.811 25.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.426 56.662 24.298 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.547 57.831 24.968 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.391 56.828 23.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.240 55.703 22.893 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.825 57.719 22.203 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.148 58.746 22.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.923 58.013 20.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.456 58.105 20.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.696 56.598 20.806 1.00 0.00 H new ATOM 190 N THR A 12 49.621 56.255 26.393 1.00 0.00 N ATOM 191 CA THR A 12 48.215 55.910 26.326 1.00 0.00 C ATOM 192 C THR A 12 47.666 56.056 24.905 1.00 0.00 C ATOM 193 O THR A 12 47.774 57.127 24.312 1.00 0.00 O ATOM 194 CB THR A 12 47.390 56.769 27.281 1.00 0.00 C ATOM 195 OG1 THR A 12 47.977 56.751 28.564 1.00 0.00 O ATOM 196 CG2 THR A 12 45.956 56.273 27.438 1.00 0.00 C ATOM 0 H THR A 12 49.810 57.223 26.134 1.00 0.00 H new ATOM 0 HA THR A 12 48.132 54.865 26.625 1.00 0.00 H new ATOM 0 HB THR A 12 47.372 57.770 26.851 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.465 57.330 29.166 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.420 56.924 28.129 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.459 56.285 26.468 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.964 55.256 27.830 1.00 0.00 H new ATOM 204 N ILE A 13 47.028 55.014 24.382 1.00 0.00 N ATOM 205 CA ILE A 13 46.272 55.035 23.146 1.00 0.00 C ATOM 206 C ILE A 13 44.783 55.040 23.497 1.00 0.00 C ATOM 207 O ILE A 13 44.355 54.228 24.315 1.00 0.00 O ATOM 208 CB ILE A 13 46.609 53.854 22.239 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.104 53.580 22.114 1.00 0.00 C ATOM 210 CG2 ILE A 13 45.994 54.078 20.861 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.453 52.320 21.327 1.00 0.00 C ATOM 0 H ILE A 13 47.027 54.098 24.830 1.00 0.00 H new ATOM 0 HA ILE A 13 46.536 55.933 22.587 1.00 0.00 H new ATOM 0 HB ILE A 13 46.182 52.967 22.707 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.578 54.436 21.634 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.530 53.498 23.114 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.235 53.235 20.214 1.00 0.00 H new ATOM 0 HG22 ILE A 13 44.912 54.166 20.955 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.396 54.994 20.428 1.00 0.00 H new ATOM 0 HD11 ILE A 13 49.536 52.203 21.288 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.012 51.452 21.816 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.061 52.404 20.313 1.00 0.00 H new ATOM 223 N THR A 14 43.991 55.911 22.878 1.00 0.00 N ATOM 224 CA THR A 14 42.544 55.920 22.943 1.00 0.00 C ATOM 225 C THR A 14 41.998 55.361 21.626 1.00 0.00 C ATOM 226 O THR A 14 42.406 55.840 20.571 1.00 0.00 O ATOM 227 CB THR A 14 42.005 57.331 23.160 1.00 0.00 C ATOM 228 OG1 THR A 14 42.522 57.914 24.335 1.00 0.00 O ATOM 229 CG2 THR A 14 40.486 57.356 23.300 1.00 0.00 C ATOM 0 H THR A 14 44.363 56.660 22.294 1.00 0.00 H new ATOM 0 HA THR A 14 42.224 55.308 23.786 1.00 0.00 H new ATOM 0 HB THR A 14 42.316 57.889 22.277 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.095 57.506 25.117 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.152 58.382 23.453 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.030 56.957 22.394 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.189 56.747 24.154 1.00 0.00 H new ATOM 237 N LEU A 15 41.093 54.387 21.660 1.00 0.00 N ATOM 238 CA LEU A 15 40.502 53.790 20.479 1.00 0.00 C ATOM 239 C LEU A 15 38.976 53.737 20.560 1.00 0.00 C ATOM 240 O LEU A 15 38.414 53.519 21.631 1.00 0.00 O ATOM 241 CB LEU A 15 41.067 52.393 20.239 1.00 0.00 C ATOM 242 CG LEU A 15 42.566 52.297 19.969 1.00 0.00 C ATOM 243 CD1 LEU A 15 42.980 50.830 19.888 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.991 52.959 18.661 1.00 0.00 C ATOM 0 H LEU A 15 40.746 53.986 22.531 1.00 0.00 H new ATOM 0 HA LEU A 15 40.763 54.429 19.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 40.838 51.779 21.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.540 51.954 19.392 1.00 0.00 H new ATOM 0 HG LEU A 15 43.052 52.819 20.793 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.051 50.764 19.695 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.750 50.334 20.831 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.435 50.342 19.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.068 52.853 18.533 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.478 52.480 17.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.731 54.017 18.688 1.00 0.00 H new ATOM 256 N GLU A 16 38.320 53.861 19.409 1.00 0.00 N ATOM 257 CA GLU A 16 36.923 53.533 19.209 1.00 0.00 C ATOM 258 C GLU A 16 36.834 52.196 18.470 1.00 0.00 C ATOM 259 O GLU A 16 37.379 52.065 17.376 1.00 0.00 O ATOM 260 CB GLU A 16 36.217 54.656 18.456 1.00 0.00 C ATOM 261 CG GLU A 16 35.143 55.366 19.276 1.00 0.00 C ATOM 262 CD GLU A 16 33.802 54.631 19.274 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.752 53.392 19.435 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.745 55.283 19.139 1.00 0.00 O ATOM 0 H GLU A 16 38.770 54.207 18.561 1.00 0.00 H new ATOM 0 HA GLU A 16 36.416 53.431 20.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.958 55.387 18.134 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.761 54.246 17.555 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.490 55.473 20.304 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.000 56.372 18.882 1.00 0.00 H new ATOM 271 N VAL A 17 36.189 51.198 19.067 1.00 0.00 N ATOM 272 CA VAL A 17 36.134 49.834 18.582 1.00 0.00 C ATOM 273 C VAL A 17 34.708 49.278 18.587 1.00 0.00 C ATOM 274 O VAL A 17 33.863 49.721 19.361 1.00 0.00 O ATOM 275 CB VAL A 17 37.062 48.908 19.364 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.525 49.335 19.275 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.691 48.790 20.839 1.00 0.00 C ATOM 0 H VAL A 17 35.672 51.329 19.936 1.00 0.00 H new ATOM 0 HA VAL A 17 36.481 49.868 17.549 1.00 0.00 H new ATOM 0 HB VAL A 17 36.933 47.936 18.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.142 48.643 19.848 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.844 49.327 18.233 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.636 50.341 19.680 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.389 48.118 21.337 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.739 49.774 21.306 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.679 48.394 20.929 1.00 0.00 H new ATOM 287 N GLU A 18 34.450 48.277 17.751 1.00 0.00 N ATOM 288 CA GLU A 18 33.234 47.490 17.768 1.00 0.00 C ATOM 289 C GLU A 18 33.461 46.209 18.574 1.00 0.00 C ATOM 290 O GLU A 18 34.536 45.624 18.460 1.00 0.00 O ATOM 291 CB GLU A 18 32.841 47.192 16.324 1.00 0.00 C ATOM 292 CG GLU A 18 31.455 46.574 16.150 1.00 0.00 C ATOM 293 CD GLU A 18 31.055 46.373 14.687 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.905 46.442 13.773 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.855 46.115 14.451 1.00 0.00 O ATOM 0 H GLU A 18 35.104 47.987 17.024 1.00 0.00 H new ATOM 0 HA GLU A 18 32.421 48.034 18.248 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.884 48.119 15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.581 46.517 15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.428 45.612 16.661 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.717 47.213 16.635 1.00 0.00 H new ATOM 302 N PRO A 19 32.497 45.690 19.328 1.00 0.00 N ATOM 303 CA PRO A 19 32.636 44.422 20.017 1.00 0.00 C ATOM 304 C PRO A 19 32.987 43.234 19.118 1.00 0.00 C ATOM 305 O PRO A 19 33.552 42.251 19.589 1.00 0.00 O ATOM 306 CB PRO A 19 31.311 44.197 20.739 1.00 0.00 C ATOM 307 CG PRO A 19 30.786 45.613 20.966 1.00 0.00 C ATOM 308 CD PRO A 19 31.258 46.337 19.708 1.00 0.00 C ATOM 0 HA PRO A 19 33.485 44.479 20.698 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.621 43.605 20.138 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.452 43.665 21.680 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.701 45.634 21.065 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.197 46.060 21.871 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.517 46.263 18.912 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.413 47.398 19.902 1.00 0.00 H new ATOM 316 N SER A 20 32.661 43.340 17.833 1.00 0.00 N ATOM 317 CA SER A 20 32.924 42.376 16.783 1.00 0.00 C ATOM 318 C SER A 20 34.346 42.378 16.218 1.00 0.00 C ATOM 319 O SER A 20 34.661 41.475 15.447 1.00 0.00 O ATOM 320 CB SER A 20 31.934 42.588 15.642 1.00 0.00 C ATOM 321 OG SER A 20 30.605 42.412 16.079 1.00 0.00 O ATOM 0 H SER A 20 32.172 44.162 17.479 1.00 0.00 H new ATOM 0 HA SER A 20 32.804 41.402 17.258 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.055 43.591 15.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.150 41.888 14.835 1.00 0.00 H new ATOM 0 HG SER A 20 29.992 42.555 15.328 1.00 0.00 H new ATOM 327 N ASP A 21 35.206 43.334 16.559 1.00 0.00 N ATOM 328 CA ASP A 21 36.603 43.316 16.176 1.00 0.00 C ATOM 329 C ASP A 21 37.327 42.119 16.797 1.00 0.00 C ATOM 330 O ASP A 21 37.010 41.691 17.905 1.00 0.00 O ATOM 331 CB ASP A 21 37.315 44.604 16.583 1.00 0.00 C ATOM 332 CG ASP A 21 37.183 45.707 15.532 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.111 45.872 14.711 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.132 46.383 15.478 1.00 0.00 O ATOM 0 H ASP A 21 34.944 44.148 17.115 1.00 0.00 H new ATOM 0 HA ASP A 21 36.632 43.230 15.090 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.905 44.958 17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.371 44.393 16.752 1.00 0.00 H new ATOM 339 N THR A 22 38.327 41.587 16.100 1.00 0.00 N ATOM 340 CA THR A 22 39.242 40.602 16.640 1.00 0.00 C ATOM 341 C THR A 22 40.420 41.254 17.367 1.00 0.00 C ATOM 342 O THR A 22 40.814 42.377 17.060 1.00 0.00 O ATOM 343 CB THR A 22 39.758 39.650 15.565 1.00 0.00 C ATOM 344 OG1 THR A 22 40.428 40.378 14.560 1.00 0.00 O ATOM 345 CG2 THR A 22 38.637 38.845 14.915 1.00 0.00 C ATOM 0 H THR A 22 38.522 41.836 15.130 1.00 0.00 H new ATOM 0 HA THR A 22 38.669 40.022 17.364 1.00 0.00 H new ATOM 0 HB THR A 22 40.437 38.954 16.058 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.758 39.761 13.874 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.056 38.183 14.157 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.128 38.251 15.674 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.924 39.525 14.448 1.00 0.00 H new ATOM 353 N ILE A 23 41.042 40.527 18.290 1.00 0.00 N ATOM 354 CA ILE A 23 42.293 40.933 18.898 1.00 0.00 C ATOM 355 C ILE A 23 43.401 41.027 17.847 1.00 0.00 C ATOM 356 O ILE A 23 44.212 41.948 17.922 1.00 0.00 O ATOM 357 CB ILE A 23 42.615 40.026 20.083 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.632 40.175 21.241 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.047 40.186 20.585 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.668 41.506 21.985 1.00 0.00 C ATOM 0 H ILE A 23 40.686 39.636 18.635 1.00 0.00 H new ATOM 0 HA ILE A 23 42.204 41.939 19.307 1.00 0.00 H new ATOM 0 HB ILE A 23 42.509 39.016 19.688 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.623 40.024 20.856 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.823 39.376 21.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.214 39.515 21.428 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.743 39.942 19.783 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.208 41.216 20.904 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.928 41.496 22.785 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.660 41.658 22.410 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.442 42.316 21.292 1.00 0.00 H new ATOM 372 N GLU A 24 43.396 40.197 16.808 1.00 0.00 N ATOM 373 CA GLU A 24 44.232 40.340 15.634 1.00 0.00 C ATOM 374 C GLU A 24 44.081 41.706 14.960 1.00 0.00 C ATOM 375 O GLU A 24 45.086 42.339 14.643 1.00 0.00 O ATOM 376 CB GLU A 24 43.913 39.207 14.664 1.00 0.00 C ATOM 377 CG GLU A 24 44.591 39.336 13.302 1.00 0.00 C ATOM 378 CD GLU A 24 44.426 38.074 12.453 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.424 37.343 12.270 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.325 37.817 11.920 1.00 0.00 O ATOM 0 H GLU A 24 42.787 39.380 16.765 1.00 0.00 H new ATOM 0 HA GLU A 24 45.274 40.280 15.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.211 38.262 15.117 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.834 39.163 14.517 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.171 40.189 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.652 39.540 13.444 1.00 0.00 H new ATOM 387 N ASN A 25 42.859 42.192 14.766 1.00 0.00 N ATOM 388 CA ASN A 25 42.642 43.488 14.155 1.00 0.00 C ATOM 389 C ASN A 25 42.989 44.650 15.088 1.00 0.00 C ATOM 390 O ASN A 25 43.522 45.659 14.631 1.00 0.00 O ATOM 391 CB ASN A 25 41.215 43.580 13.622 1.00 0.00 C ATOM 392 CG ASN A 25 41.075 44.703 12.593 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.903 44.862 11.698 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.027 45.517 12.670 1.00 0.00 N ATOM 0 H ASN A 25 42.004 41.701 15.026 1.00 0.00 H new ATOM 0 HA ASN A 25 43.330 43.580 13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.933 42.630 13.167 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.527 43.754 14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.913 46.268 11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.336 45.391 13.410 1.00 0.00 H new ATOM 401 N VAL A 26 42.791 44.506 16.396 1.00 0.00 N ATOM 402 CA VAL A 26 43.251 45.476 17.368 1.00 0.00 C ATOM 403 C VAL A 26 44.780 45.545 17.404 1.00 0.00 C ATOM 404 O VAL A 26 45.315 46.651 17.383 1.00 0.00 O ATOM 405 CB VAL A 26 42.624 45.240 18.739 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.252 46.084 19.845 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.142 45.603 18.685 1.00 0.00 C ATOM 0 H VAL A 26 42.305 43.709 16.806 1.00 0.00 H new ATOM 0 HA VAL A 26 42.909 46.461 17.051 1.00 0.00 H new ATOM 0 HB VAL A 26 42.789 44.188 18.972 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.759 45.867 20.793 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.313 45.848 19.925 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.133 47.141 19.608 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.691 45.436 19.663 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.034 46.652 18.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.642 44.981 17.943 1.00 0.00 H new ATOM 417 N LYS A 27 45.491 44.424 17.328 1.00 0.00 N ATOM 418 CA LYS A 27 46.930 44.411 17.159 1.00 0.00 C ATOM 419 C LYS A 27 47.368 45.163 15.900 1.00 0.00 C ATOM 420 O LYS A 27 48.345 45.907 15.950 1.00 0.00 O ATOM 421 CB LYS A 27 47.483 42.991 17.099 1.00 0.00 C ATOM 422 CG LYS A 27 47.634 42.268 18.436 1.00 0.00 C ATOM 423 CD LYS A 27 48.432 40.987 18.212 1.00 0.00 C ATOM 424 CE LYS A 27 48.827 40.318 19.525 1.00 0.00 C ATOM 425 NZ LYS A 27 49.704 39.163 19.275 1.00 0.00 N ATOM 0 H LYS A 27 45.076 43.494 17.383 1.00 0.00 H new ATOM 0 HA LYS A 27 47.335 44.917 18.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.830 42.396 16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.459 43.024 16.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.142 42.909 19.157 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.654 42.035 18.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.841 40.292 17.615 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.330 41.216 17.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.337 41.037 20.166 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.933 39.994 20.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.935 38.700 20.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.218 38.486 18.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.580 39.485 18.817 1.00 0.00 H new ATOM 439 N ALA A 28 46.641 45.020 14.796 1.00 0.00 N ATOM 440 CA ALA A 28 46.937 45.724 13.565 1.00 0.00 C ATOM 441 C ALA A 28 46.733 47.234 13.689 1.00 0.00 C ATOM 442 O ALA A 28 47.577 48.005 13.238 1.00 0.00 O ATOM 443 CB ALA A 28 46.100 45.142 12.430 1.00 0.00 C ATOM 0 H ALA A 28 45.827 44.408 14.736 1.00 0.00 H new ATOM 0 HA ALA A 28 47.994 45.581 13.342 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.323 45.672 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.336 44.085 12.309 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.041 45.252 12.665 1.00 0.00 H new ATOM 449 N LYS A 29 45.660 47.670 14.345 1.00 0.00 N ATOM 450 CA LYS A 29 45.370 49.062 14.628 1.00 0.00 C ATOM 451 C LYS A 29 46.387 49.691 15.582 1.00 0.00 C ATOM 452 O LYS A 29 46.719 50.865 15.430 1.00 0.00 O ATOM 453 CB LYS A 29 43.942 49.168 15.154 1.00 0.00 C ATOM 454 CG LYS A 29 42.908 48.934 14.056 1.00 0.00 C ATOM 455 CD LYS A 29 41.509 48.690 14.612 1.00 0.00 C ATOM 456 CE LYS A 29 40.491 48.655 13.476 1.00 0.00 C ATOM 457 NZ LYS A 29 39.129 48.384 13.961 1.00 0.00 N ATOM 0 H LYS A 29 44.947 47.036 14.704 1.00 0.00 H new ATOM 0 HA LYS A 29 45.455 49.635 13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.795 48.440 15.952 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.789 50.155 15.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.886 49.798 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.210 48.077 13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.486 47.748 15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.248 49.477 15.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.504 49.609 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.778 47.889 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.439 48.680 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.022 47.366 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.961 48.914 14.840 1.00 0.00 H new ATOM 471 N ILE A 30 46.937 48.916 16.512 1.00 0.00 N ATOM 472 CA ILE A 30 48.044 49.290 17.368 1.00 0.00 C ATOM 473 C ILE A 30 49.359 49.362 16.587 1.00 0.00 C ATOM 474 O ILE A 30 50.129 50.293 16.812 1.00 0.00 O ATOM 475 CB ILE A 30 48.123 48.346 18.564 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.948 48.579 19.509 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.431 48.490 19.338 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.749 47.480 20.549 1.00 0.00 C ATOM 0 H ILE A 30 46.604 47.969 16.693 1.00 0.00 H new ATOM 0 HA ILE A 30 47.867 50.295 17.752 1.00 0.00 H new ATOM 0 HB ILE A 30 48.082 47.333 18.163 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.095 49.528 20.024 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.036 48.674 18.919 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.435 47.796 20.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.270 48.267 18.679 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.523 49.510 19.710 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.894 47.725 21.178 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.568 46.531 20.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.643 47.398 21.167 1.00 0.00 H new ATOM 490 N GLN A 31 49.619 48.461 15.644 1.00 0.00 N ATOM 491 CA GLN A 31 50.778 48.518 14.777 1.00 0.00 C ATOM 492 C GLN A 31 50.735 49.768 13.895 1.00 0.00 C ATOM 493 O GLN A 31 51.750 50.447 13.759 1.00 0.00 O ATOM 494 CB GLN A 31 50.884 47.227 13.971 1.00 0.00 C ATOM 495 CG GLN A 31 52.180 47.063 13.181 1.00 0.00 C ATOM 496 CD GLN A 31 52.288 47.917 11.916 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.309 48.219 11.237 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.494 48.327 11.534 1.00 0.00 N ATOM 0 H GLN A 31 49.016 47.659 15.463 1.00 0.00 H new ATOM 0 HA GLN A 31 51.682 48.600 15.380 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.782 46.382 14.652 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.045 47.180 13.277 1.00 0.00 H new ATOM 0 HG2 GLN A 31 53.018 47.305 13.835 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.286 46.015 12.902 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.315 48.083 12.088 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.598 48.885 10.687 1.00 0.00 H new ATOM 507 N ASP A 32 49.577 50.128 13.350 1.00 0.00 N ATOM 508 CA ASP A 32 49.420 51.333 12.562 1.00 0.00 C ATOM 509 C ASP A 32 49.663 52.603 13.381 1.00 0.00 C ATOM 510 O ASP A 32 50.267 53.552 12.886 1.00 0.00 O ATOM 511 CB ASP A 32 48.040 51.332 11.912 1.00 0.00 C ATOM 512 CG ASP A 32 47.891 52.440 10.867 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.111 53.388 11.100 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.556 52.359 9.810 1.00 0.00 O ATOM 0 H ASP A 32 48.719 49.584 13.447 1.00 0.00 H new ATOM 0 HA ASP A 32 50.181 51.336 11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.863 50.365 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.278 51.456 12.681 1.00 0.00 H new ATOM 519 N LYS A 33 49.238 52.619 14.642 1.00 0.00 N ATOM 520 CA LYS A 33 49.440 53.718 15.564 1.00 0.00 C ATOM 521 C LYS A 33 50.879 53.832 16.072 1.00 0.00 C ATOM 522 O LYS A 33 51.508 54.863 15.844 1.00 0.00 O ATOM 523 CB LYS A 33 48.407 53.623 16.683 1.00 0.00 C ATOM 524 CG LYS A 33 48.399 54.766 17.696 1.00 0.00 C ATOM 525 CD LYS A 33 48.141 56.151 17.110 1.00 0.00 C ATOM 526 CE LYS A 33 47.802 57.115 18.242 1.00 0.00 C ATOM 527 NZ LYS A 33 47.672 58.500 17.764 1.00 0.00 N ATOM 0 H LYS A 33 48.728 51.839 15.057 1.00 0.00 H new ATOM 0 HA LYS A 33 49.285 54.653 15.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.417 53.560 16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.571 52.690 17.222 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.637 54.559 18.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 49.359 54.780 18.212 1.00 0.00 H new ATOM 0 HD2 LYS A 33 49.020 56.500 16.569 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.321 56.109 16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.870 56.806 18.715 1.00 0.00 H new ATOM 0 HE3 LYS A 33 48.579 57.066 19.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 47.441 59.123 18.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 48.569 58.805 17.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.914 58.553 17.054 1.00 0.00 H new ATOM 541 N GLU A 34 51.427 52.816 16.732 1.00 0.00 N ATOM 542 CA GLU A 34 52.689 52.863 17.444 1.00 0.00 C ATOM 543 C GLU A 34 53.830 52.051 16.832 1.00 0.00 C ATOM 544 O GLU A 34 54.928 52.045 17.386 1.00 0.00 O ATOM 545 CB GLU A 34 52.480 52.452 18.899 1.00 0.00 C ATOM 546 CG GLU A 34 51.678 53.438 19.745 1.00 0.00 C ATOM 547 CD GLU A 34 52.290 54.839 19.804 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.511 54.977 20.031 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.567 55.843 19.622 1.00 0.00 O ATOM 0 H GLU A 34 50.980 51.901 16.784 1.00 0.00 H new ATOM 0 HA GLU A 34 53.014 53.901 17.367 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.974 51.487 18.918 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.456 52.310 19.363 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.667 53.509 19.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.591 53.046 20.758 1.00 0.00 H new ATOM 556 N GLY A 35 53.623 51.352 15.720 1.00 0.00 N ATOM 557 CA GLY A 35 54.669 50.651 15.004 1.00 0.00 C ATOM 558 C GLY A 35 55.064 49.275 15.548 1.00 0.00 C ATOM 559 O GLY A 35 55.821 48.557 14.898 1.00 0.00 O ATOM 0 H GLY A 35 52.704 51.259 15.288 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.352 50.530 13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.558 51.282 14.994 1.00 0.00 H new ATOM 563 N ILE A 36 54.522 48.873 16.693 1.00 0.00 N ATOM 564 CA ILE A 36 54.873 47.651 17.389 1.00 0.00 C ATOM 565 C ILE A 36 54.395 46.440 16.583 1.00 0.00 C ATOM 566 O ILE A 36 53.195 46.330 16.342 1.00 0.00 O ATOM 567 CB ILE A 36 54.277 47.654 18.793 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.645 48.888 19.613 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.719 46.402 19.545 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.766 49.107 20.839 1.00 0.00 C ATOM 0 H ILE A 36 53.802 49.411 17.174 1.00 0.00 H new ATOM 0 HA ILE A 36 55.957 47.589 17.488 1.00 0.00 H new ATOM 0 HB ILE A 36 53.195 47.671 18.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.683 48.801 19.935 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.583 49.768 18.973 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.290 46.409 20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.376 45.516 19.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.807 46.385 19.616 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.093 50.003 21.366 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.729 49.228 20.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.846 48.246 21.503 1.00 0.00 H new ATOM 582 N PRO A 37 55.252 45.505 16.183 1.00 0.00 N ATOM 583 CA PRO A 37 54.850 44.376 15.367 1.00 0.00 C ATOM 584 C PRO A 37 53.987 43.386 16.151 1.00 0.00 C ATOM 585 O PRO A 37 54.281 43.096 17.308 1.00 0.00 O ATOM 586 CB PRO A 37 56.142 43.754 14.846 1.00 0.00 C ATOM 587 CG PRO A 37 57.163 44.106 15.925 1.00 0.00 C ATOM 588 CD PRO A 37 56.678 45.462 16.432 1.00 0.00 C ATOM 0 HA PRO A 37 54.217 44.689 14.537 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.046 42.676 14.719 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.424 44.165 13.877 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.181 43.361 16.721 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.173 44.165 15.520 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.890 45.578 17.495 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.187 46.275 15.915 1.00 0.00 H new ATOM 596 N PRO A 38 52.937 42.831 15.554 1.00 0.00 N ATOM 597 CA PRO A 38 51.935 42.055 16.257 1.00 0.00 C ATOM 598 C PRO A 38 52.466 40.756 16.866 1.00 0.00 C ATOM 599 O PRO A 38 51.911 40.270 17.849 1.00 0.00 O ATOM 600 CB PRO A 38 50.839 41.789 15.229 1.00 0.00 C ATOM 601 CG PRO A 38 51.567 41.841 13.890 1.00 0.00 C ATOM 602 CD PRO A 38 52.601 42.933 14.148 1.00 0.00 C ATOM 0 HA PRO A 38 51.571 42.610 17.122 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.368 40.819 15.390 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.050 42.539 15.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.031 40.888 13.638 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.897 42.096 13.069 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.483 42.792 13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.197 43.918 13.912 1.00 0.00 H new ATOM 610 N ASP A 39 53.560 40.221 16.332 1.00 0.00 N ATOM 611 CA ASP A 39 54.255 39.058 16.846 1.00 0.00 C ATOM 612 C ASP A 39 54.973 39.319 18.172 1.00 0.00 C ATOM 613 O ASP A 39 55.114 38.393 18.967 1.00 0.00 O ATOM 614 CB ASP A 39 55.211 38.585 15.753 1.00 0.00 C ATOM 615 CG ASP A 39 56.001 37.333 16.139 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.390 36.246 16.237 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.240 37.427 16.277 1.00 0.00 O ATOM 0 H ASP A 39 54.000 40.606 15.496 1.00 0.00 H new ATOM 0 HA ASP A 39 53.532 38.279 17.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.642 38.382 14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.909 39.388 15.518 1.00 0.00 H new ATOM 622 N GLN A 40 55.352 40.560 18.463 1.00 0.00 N ATOM 623 CA GLN A 40 55.803 40.959 19.781 1.00 0.00 C ATOM 624 C GLN A 40 54.637 41.334 20.698 1.00 0.00 C ATOM 625 O GLN A 40 54.699 41.025 21.885 1.00 0.00 O ATOM 626 CB GLN A 40 56.787 42.123 19.717 1.00 0.00 C ATOM 627 CG GLN A 40 58.156 41.732 19.165 1.00 0.00 C ATOM 628 CD GLN A 40 59.223 42.813 19.344 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.003 43.883 19.906 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.445 42.567 18.881 1.00 0.00 N ATOM 0 H GLN A 40 55.353 41.319 17.781 1.00 0.00 H new ATOM 0 HA GLN A 40 56.311 40.090 20.199 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.365 42.912 19.095 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.912 42.538 20.717 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.490 40.819 19.659 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.058 41.503 18.104 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.644 41.683 18.412 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.183 43.262 18.995 1.00 0.00 H new ATOM 639 N GLN A 41 53.580 41.968 20.198 1.00 0.00 N ATOM 640 CA GLN A 41 52.476 42.417 21.021 1.00 0.00 C ATOM 641 C GLN A 41 51.822 41.273 21.796 1.00 0.00 C ATOM 642 O GLN A 41 51.535 40.223 21.226 1.00 0.00 O ATOM 643 CB GLN A 41 51.398 43.089 20.176 1.00 0.00 C ATOM 644 CG GLN A 41 51.791 44.399 19.499 1.00 0.00 C ATOM 645 CD GLN A 41 50.599 45.035 18.781 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.479 45.066 19.288 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.760 45.552 17.566 1.00 0.00 N ATOM 0 H GLN A 41 53.471 42.182 19.207 1.00 0.00 H new ATOM 0 HA GLN A 41 52.904 43.127 21.728 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.080 42.387 19.405 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.533 43.278 20.812 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.182 45.092 20.244 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.593 44.215 18.784 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.679 45.539 17.124 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.964 45.962 17.077 1.00 0.00 H new ATOM 656 N ARG A 42 51.496 41.491 23.068 1.00 0.00 N ATOM 657 CA ARG A 42 50.536 40.717 23.829 1.00 0.00 C ATOM 658 C ARG A 42 49.613 41.665 24.597 1.00 0.00 C ATOM 659 O ARG A 42 50.085 42.612 25.221 1.00 0.00 O ATOM 660 CB ARG A 42 51.243 39.760 24.784 1.00 0.00 C ATOM 661 CG ARG A 42 52.103 38.677 24.139 1.00 0.00 C ATOM 662 CD ARG A 42 51.284 37.697 23.304 1.00 0.00 C ATOM 663 NE ARG A 42 52.106 36.632 22.731 1.00 0.00 N ATOM 664 CZ ARG A 42 52.916 36.719 21.666 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.136 37.858 20.992 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.533 35.611 21.237 1.00 0.00 N ATOM 0 H ARG A 42 51.915 42.245 23.613 1.00 0.00 H new ATOM 0 HA ARG A 42 49.940 40.117 23.142 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.874 40.346 25.451 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.489 39.275 25.403 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.857 39.146 23.507 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.635 38.129 24.917 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.505 37.256 23.926 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.783 38.238 22.501 1.00 0.00 H new ATOM 0 HE ARG A 42 52.058 35.723 23.192 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.675 38.720 21.283 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.764 37.862 20.188 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.382 34.724 21.718 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.154 35.653 20.429 1.00 0.00 H new ATOM 680 N LEU A 43 48.309 41.411 24.535 1.00 0.00 N ATOM 681 CA LEU A 43 47.297 42.183 25.228 1.00 0.00 C ATOM 682 C LEU A 43 46.897 41.471 26.521 1.00 0.00 C ATOM 683 O LEU A 43 46.626 40.272 26.509 1.00 0.00 O ATOM 684 CB LEU A 43 46.096 42.429 24.320 1.00 0.00 C ATOM 685 CG LEU A 43 46.210 43.512 23.251 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.450 44.895 23.851 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.278 43.242 22.195 1.00 0.00 C ATOM 0 H LEU A 43 47.923 40.642 23.986 1.00 0.00 H new ATOM 0 HA LEU A 43 47.705 43.158 25.493 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.860 41.490 23.819 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.244 42.675 24.954 1.00 0.00 H new ATOM 0 HG LEU A 43 45.241 43.488 22.753 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.524 45.631 23.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.620 45.156 24.508 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.377 44.887 24.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.292 44.060 21.474 1.00 0.00 H new ATOM 0 HD22 LEU A 43 48.253 43.165 22.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.052 42.308 21.680 1.00 0.00 H new ATOM 699 N ILE A 44 46.849 42.214 27.623 1.00 0.00 N ATOM 700 CA ILE A 44 46.475 41.742 28.941 1.00 0.00 C ATOM 701 C ILE A 44 45.236 42.497 29.427 1.00 0.00 C ATOM 702 O ILE A 44 45.199 43.724 29.377 1.00 0.00 O ATOM 703 CB ILE A 44 47.626 41.879 29.934 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.990 41.401 29.447 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.276 41.215 31.263 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.107 39.925 29.080 1.00 0.00 C ATOM 0 H ILE A 44 47.082 43.207 27.615 1.00 0.00 H new ATOM 0 HA ILE A 44 46.238 40.680 28.872 1.00 0.00 H new ATOM 0 HB ILE A 44 47.740 42.955 30.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.266 41.992 28.574 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.724 41.618 30.223 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.111 41.325 31.956 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.390 41.689 31.685 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.077 40.156 31.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.124 39.712 28.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.873 39.314 29.952 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.408 39.693 28.276 1.00 0.00 H new ATOM 718 N PHE A 45 44.235 41.768 29.912 1.00 0.00 N ATOM 719 CA PHE A 45 42.999 42.310 30.441 1.00 0.00 C ATOM 720 C PHE A 45 42.446 41.440 31.571 1.00 0.00 C ATOM 721 O PHE A 45 42.367 40.221 31.439 1.00 0.00 O ATOM 722 CB PHE A 45 41.993 42.443 29.302 1.00 0.00 C ATOM 723 CG PHE A 45 40.654 43.035 29.671 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.576 44.307 30.252 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.478 42.325 29.398 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.331 44.854 30.582 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.233 42.878 29.717 1.00 0.00 C ATOM 728 CZ PHE A 45 38.155 44.140 30.318 1.00 0.00 C ATOM 0 H PHE A 45 44.269 40.749 29.946 1.00 0.00 H new ATOM 0 HA PHE A 45 43.193 43.293 30.870 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.438 43.059 28.520 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.826 41.455 28.873 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.479 44.867 30.446 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.532 41.348 28.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.277 45.830 31.042 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.329 42.329 29.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.194 44.560 30.576 1.00 0.00 H new ATOM 738 N ALA A 46 42.089 42.057 32.694 1.00 0.00 N ATOM 739 CA ALA A 46 41.794 41.404 33.954 1.00 0.00 C ATOM 740 C ALA A 46 42.826 40.339 34.333 1.00 0.00 C ATOM 741 O ALA A 46 42.499 39.200 34.657 1.00 0.00 O ATOM 742 CB ALA A 46 40.337 40.952 33.963 1.00 0.00 C ATOM 0 H ALA A 46 41.995 43.071 32.747 1.00 0.00 H new ATOM 0 HA ALA A 46 41.896 42.121 34.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.114 40.461 34.910 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.687 41.818 33.842 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.168 40.254 33.143 1.00 0.00 H new ATOM 748 N GLY A 47 44.103 40.690 34.211 1.00 0.00 N ATOM 749 CA GLY A 47 45.252 39.850 34.478 1.00 0.00 C ATOM 750 C GLY A 47 45.536 38.734 33.470 1.00 0.00 C ATOM 751 O GLY A 47 46.645 38.205 33.465 1.00 0.00 O ATOM 0 H GLY A 47 44.372 41.625 33.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.134 40.488 34.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.121 39.396 35.460 1.00 0.00 H new ATOM 755 N LYS A 48 44.581 38.386 32.613 1.00 0.00 N ATOM 756 CA LYS A 48 44.657 37.296 31.663 1.00 0.00 C ATOM 757 C LYS A 48 45.255 37.758 30.332 1.00 0.00 C ATOM 758 O LYS A 48 44.987 38.873 29.889 1.00 0.00 O ATOM 759 CB LYS A 48 43.252 36.730 31.478 1.00 0.00 C ATOM 760 CG LYS A 48 43.171 35.372 30.785 1.00 0.00 C ATOM 761 CD LYS A 48 43.538 34.208 31.701 1.00 0.00 C ATOM 762 CE LYS A 48 43.470 32.847 31.013 1.00 0.00 C ATOM 763 NZ LYS A 48 42.126 32.550 30.495 1.00 0.00 N ATOM 0 H LYS A 48 43.692 38.885 32.565 1.00 0.00 H new ATOM 0 HA LYS A 48 45.319 36.518 32.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.782 36.646 32.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.665 37.446 30.903 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.159 35.224 30.407 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.837 35.371 29.922 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.546 34.362 32.085 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.867 34.206 32.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 44.187 32.821 30.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.765 32.070 31.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.093 31.566 30.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.425 32.681 31.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.908 33.193 29.707 1.00 0.00 H new ATOM 777 N GLN A 49 46.027 36.894 29.679 1.00 0.00 N ATOM 778 CA GLN A 49 46.524 37.103 28.334 1.00 0.00 C ATOM 779 C GLN A 49 45.445 36.808 27.290 1.00 0.00 C ATOM 780 O GLN A 49 44.795 35.765 27.337 1.00 0.00 O ATOM 781 CB GLN A 49 47.771 36.243 28.152 1.00 0.00 C ATOM 782 CG GLN A 49 48.438 36.389 26.787 1.00 0.00 C ATOM 783 CD GLN A 49 49.732 35.580 26.687 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.487 35.410 27.642 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.072 35.079 25.502 1.00 0.00 N ATOM 0 H GLN A 49 46.329 36.009 30.086 1.00 0.00 H new ATOM 0 HA GLN A 49 46.792 38.149 28.187 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.493 36.502 28.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.503 35.197 28.303 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.747 36.063 26.010 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.654 37.441 26.601 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.458 35.210 24.698 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.946 34.564 25.398 1.00 0.00 H new ATOM 794 N LEU A 50 45.265 37.719 26.339 1.00 0.00 N ATOM 795 CA LEU A 50 44.292 37.625 25.269 1.00 0.00 C ATOM 796 C LEU A 50 44.901 36.995 24.015 1.00 0.00 C ATOM 797 O LEU A 50 46.071 37.208 23.705 1.00 0.00 O ATOM 798 CB LEU A 50 43.696 39.006 25.014 1.00 0.00 C ATOM 799 CG LEU A 50 42.545 39.410 25.929 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.713 39.095 27.413 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.290 40.911 25.819 1.00 0.00 C ATOM 0 H LEU A 50 45.818 38.575 26.296 1.00 0.00 H new ATOM 0 HA LEU A 50 43.482 36.959 25.566 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.489 39.747 25.110 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.346 39.046 23.982 1.00 0.00 H new ATOM 0 HG LEU A 50 41.715 38.801 25.572 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.830 39.430 27.958 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.835 38.020 27.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 43.593 39.610 27.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.466 41.189 26.476 1.00 0.00 H new ATOM 0 HD22 LEU A 50 43.188 41.455 26.112 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.034 41.162 24.790 1.00 0.00 H new ATOM 813 N GLU A 51 44.100 36.226 23.283 1.00 0.00 N ATOM 814 CA GLU A 51 44.478 35.474 22.103 1.00 0.00 C ATOM 815 C GLU A 51 43.849 36.060 20.838 1.00 0.00 C ATOM 816 O GLU A 51 42.720 36.547 20.847 1.00 0.00 O ATOM 817 CB GLU A 51 44.121 33.998 22.256 1.00 0.00 C ATOM 818 CG GLU A 51 44.668 33.349 23.524 1.00 0.00 C ATOM 819 CD GLU A 51 44.353 31.852 23.543 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.028 31.095 22.812 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.425 31.419 24.261 1.00 0.00 O ATOM 0 H GLU A 51 43.114 36.108 23.516 1.00 0.00 H new ATOM 0 HA GLU A 51 45.560 35.552 21.999 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.036 33.896 22.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.499 33.453 21.391 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.746 33.500 23.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.233 33.829 24.401 1.00 0.00 H new ATOM 828 N ASP A 52 44.588 36.013 19.733 1.00 0.00 N ATOM 829 CA ASP A 52 44.371 36.915 18.621 1.00 0.00 C ATOM 830 C ASP A 52 43.180 36.557 17.729 1.00 0.00 C ATOM 831 O ASP A 52 42.554 37.451 17.164 1.00 0.00 O ATOM 832 CB ASP A 52 45.657 37.049 17.810 1.00 0.00 C ATOM 833 CG ASP A 52 46.898 37.503 18.583 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.849 37.882 19.772 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.994 37.478 17.983 1.00 0.00 O ATOM 0 H ASP A 52 45.349 35.349 19.590 1.00 0.00 H new ATOM 0 HA ASP A 52 44.103 37.878 19.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.874 36.085 17.349 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.480 37.757 17.000 1.00 0.00 H new ATOM 840 N GLY A 53 42.813 35.284 17.624 1.00 0.00 N ATOM 841 CA GLY A 53 41.764 34.793 16.754 1.00 0.00 C ATOM 842 C GLY A 53 40.328 34.974 17.253 1.00 0.00 C ATOM 843 O GLY A 53 39.433 34.316 16.728 1.00 0.00 O ATOM 0 H GLY A 53 43.258 34.543 18.165 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.857 35.294 15.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.934 33.731 16.579 1.00 0.00 H new ATOM 847 N ARG A 54 40.107 35.785 18.283 1.00 0.00 N ATOM 848 CA ARG A 54 38.872 35.902 19.032 1.00 0.00 C ATOM 849 C ARG A 54 38.412 37.357 19.162 1.00 0.00 C ATOM 850 O ARG A 54 39.227 38.268 19.041 1.00 0.00 O ATOM 851 CB ARG A 54 39.052 35.255 20.402 1.00 0.00 C ATOM 852 CG ARG A 54 39.557 33.817 20.356 1.00 0.00 C ATOM 853 CD ARG A 54 39.696 33.212 21.751 1.00 0.00 C ATOM 854 NE ARG A 54 38.396 32.924 22.357 1.00 0.00 N ATOM 855 CZ ARG A 54 37.773 31.740 22.429 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.249 30.604 21.903 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.595 31.662 23.063 1.00 0.00 N ATOM 0 H ARG A 54 40.831 36.412 18.633 1.00 0.00 H new ATOM 0 HA ARG A 54 38.087 35.380 18.486 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.751 35.855 20.985 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.098 35.276 20.929 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.870 33.211 19.765 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.523 33.788 19.851 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.279 32.293 21.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.249 33.900 22.391 1.00 0.00 H new ATOM 0 HE ARG A 54 37.907 33.717 22.773 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.141 30.605 21.409 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.719 29.737 21.997 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.185 32.497 23.482 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.108 30.768 23.126 1.00 0.00 H new ATOM 871 N THR A 55 37.122 37.583 19.393 1.00 0.00 N ATOM 872 CA THR A 55 36.535 38.907 19.427 1.00 0.00 C ATOM 873 C THR A 55 36.651 39.629 20.770 1.00 0.00 C ATOM 874 O THR A 55 36.817 38.998 21.813 1.00 0.00 O ATOM 875 CB THR A 55 35.081 38.937 18.965 1.00 0.00 C ATOM 876 OG1 THR A 55 34.241 38.156 19.785 1.00 0.00 O ATOM 877 CG2 THR A 55 34.912 38.436 17.533 1.00 0.00 C ATOM 0 H THR A 55 36.449 36.835 19.564 1.00 0.00 H new ATOM 0 HA THR A 55 37.147 39.455 18.711 1.00 0.00 H new ATOM 0 HB THR A 55 34.794 39.987 19.028 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.673 38.744 20.325 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.859 38.478 17.255 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.492 39.064 16.857 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.265 37.407 17.464 1.00 0.00 H new ATOM 885 N LEU A 56 36.514 40.952 20.777 1.00 0.00 N ATOM 886 CA LEU A 56 36.547 41.753 21.983 1.00 0.00 C ATOM 887 C LEU A 56 35.422 41.394 22.956 1.00 0.00 C ATOM 888 O LEU A 56 35.632 41.346 24.166 1.00 0.00 O ATOM 889 CB LEU A 56 36.495 43.241 21.649 1.00 0.00 C ATOM 890 CG LEU A 56 37.472 43.759 20.598 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.484 45.285 20.610 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.904 43.262 20.778 1.00 0.00 C ATOM 0 H LEU A 56 36.375 41.500 19.928 1.00 0.00 H new ATOM 0 HA LEU A 56 37.492 41.530 22.479 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.485 43.476 21.315 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.664 43.799 22.570 1.00 0.00 H new ATOM 0 HG LEU A 56 37.115 43.368 19.646 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.183 45.649 19.858 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.484 45.658 20.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.793 45.639 21.594 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.534 43.676 19.991 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.280 43.581 21.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.921 42.174 20.722 1.00 0.00 H new ATOM 904 N SER A 57 34.241 41.086 22.428 1.00 0.00 N ATOM 905 CA SER A 57 33.105 40.570 23.165 1.00 0.00 C ATOM 906 C SER A 57 33.367 39.246 23.888 1.00 0.00 C ATOM 907 O SER A 57 32.868 39.044 24.993 1.00 0.00 O ATOM 908 CB SER A 57 31.935 40.395 22.201 1.00 0.00 C ATOM 909 OG SER A 57 32.310 39.645 21.068 1.00 0.00 O ATOM 0 H SER A 57 34.047 41.196 21.433 1.00 0.00 H new ATOM 0 HA SER A 57 32.885 41.298 23.946 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.111 39.897 22.713 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.571 41.373 21.887 1.00 0.00 H new ATOM 0 HG SER A 57 31.540 39.549 20.470 1.00 0.00 H new ATOM 915 N ASP A 58 34.186 38.366 23.319 1.00 0.00 N ATOM 916 CA ASP A 58 34.490 37.060 23.870 1.00 0.00 C ATOM 917 C ASP A 58 35.260 37.133 25.190 1.00 0.00 C ATOM 918 O ASP A 58 35.092 36.269 26.048 1.00 0.00 O ATOM 919 CB ASP A 58 35.267 36.272 22.820 1.00 0.00 C ATOM 920 CG ASP A 58 35.340 34.784 23.167 1.00 0.00 C ATOM 921 OD1 ASP A 58 36.372 34.333 23.709 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.378 34.048 22.858 1.00 0.00 O ATOM 0 H ASP A 58 34.667 38.552 22.439 1.00 0.00 H new ATOM 0 HA ASP A 58 33.554 36.556 24.110 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.792 36.396 21.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.276 36.676 22.735 1.00 0.00 H new ATOM 927 N TYR A 59 36.042 38.191 25.382 1.00 0.00 N ATOM 928 CA TYR A 59 36.732 38.531 26.609 1.00 0.00 C ATOM 929 C TYR A 59 35.971 39.515 27.500 1.00 0.00 C ATOM 930 O TYR A 59 36.486 39.908 28.544 1.00 0.00 O ATOM 931 CB TYR A 59 38.132 39.038 26.274 1.00 0.00 C ATOM 932 CG TYR A 59 39.058 37.978 25.727 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.667 37.086 26.617 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.335 37.904 24.356 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.546 36.105 26.142 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.225 36.939 23.871 1.00 0.00 C ATOM 937 CZ TYR A 59 40.818 36.023 24.762 1.00 0.00 C ATOM 938 OH TYR A 59 41.636 35.041 24.284 1.00 0.00 O ATOM 0 H TYR A 59 36.217 38.868 24.640 1.00 0.00 H new ATOM 0 HA TYR A 59 36.801 37.621 27.205 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.050 39.844 25.545 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.577 39.465 27.173 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.458 37.155 27.674 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.861 38.593 23.672 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.013 35.415 26.829 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.456 36.897 22.817 1.00 0.00 H new ATOM 0 HH TYR A 59 41.185 34.174 24.360 1.00 0.00 H new ATOM 948 N ASN A 60 34.757 39.907 27.123 1.00 0.00 N ATOM 949 CA ASN A 60 33.941 40.891 27.807 1.00 0.00 C ATOM 950 C ASN A 60 34.659 42.225 28.020 1.00 0.00 C ATOM 951 O ASN A 60 34.692 42.766 29.124 1.00 0.00 O ATOM 952 CB ASN A 60 33.341 40.267 29.064 1.00 0.00 C ATOM 953 CG ASN A 60 32.198 41.070 29.688 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.668 42.036 29.147 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.772 40.640 30.872 1.00 0.00 N ATOM 0 H ASN A 60 34.300 39.527 26.294 1.00 0.00 H new ATOM 0 HA ASN A 60 33.106 41.173 27.165 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.976 39.269 28.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.130 40.145 29.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.998 41.114 31.339 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.219 39.836 31.314 1.00 0.00 H new ATOM 962 N ILE A 61 35.269 42.753 26.963 1.00 0.00 N ATOM 963 CA ILE A 61 35.744 44.120 26.903 1.00 0.00 C ATOM 964 C ILE A 61 34.533 45.041 26.739 1.00 0.00 C ATOM 965 O ILE A 61 33.594 44.726 26.010 1.00 0.00 O ATOM 966 CB ILE A 61 36.789 44.292 25.804 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.012 43.421 26.078 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.213 45.750 25.659 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.001 43.337 24.919 1.00 0.00 C ATOM 0 H ILE A 61 35.448 42.226 26.108 1.00 0.00 H new ATOM 0 HA ILE A 61 36.255 44.390 27.827 1.00 0.00 H new ATOM 0 HB ILE A 61 36.330 43.975 24.868 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.531 43.810 26.954 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.677 42.414 26.327 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.958 45.835 24.868 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.344 46.358 25.407 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.640 46.100 26.599 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.838 42.698 25.201 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.503 42.917 24.045 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.370 44.335 24.682 1.00 0.00 H new ATOM 981 N GLN A 62 34.546 46.171 27.438 1.00 0.00 N ATOM 982 CA GLN A 62 33.451 47.118 27.517 1.00 0.00 C ATOM 983 C GLN A 62 33.923 48.547 27.244 1.00 0.00 C ATOM 984 O GLN A 62 35.122 48.815 27.279 1.00 0.00 O ATOM 985 CB GLN A 62 32.782 47.002 28.884 1.00 0.00 C ATOM 986 CG GLN A 62 32.156 45.634 29.142 1.00 0.00 C ATOM 987 CD GLN A 62 31.495 45.479 30.514 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.391 46.393 31.328 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.974 44.293 30.812 1.00 0.00 N ATOM 0 H GLN A 62 35.356 46.460 27.986 1.00 0.00 H new ATOM 0 HA GLN A 62 32.721 46.879 26.744 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.520 47.207 29.659 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.011 47.767 28.968 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.410 45.440 28.371 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.928 44.871 29.038 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.050 43.521 30.149 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.498 44.154 31.704 1.00 0.00 H new ATOM 998 N LYS A 63 33.005 49.492 27.060 1.00 0.00 N ATOM 999 CA LYS A 63 33.327 50.904 27.102 1.00 0.00 C ATOM 1000 C LYS A 63 34.027 51.271 28.411 1.00 0.00 C ATOM 1001 O LYS A 63 33.756 50.651 29.436 1.00 0.00 O ATOM 1002 CB LYS A 63 32.093 51.766 26.855 1.00 0.00 C ATOM 1003 CG LYS A 63 31.045 51.723 27.965 1.00 0.00 C ATOM 1004 CD LYS A 63 29.909 52.695 27.658 1.00 0.00 C ATOM 1005 CE LYS A 63 28.902 52.708 28.804 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.917 53.786 28.623 1.00 0.00 N ATOM 0 H LYS A 63 32.021 49.295 26.878 1.00 0.00 H new ATOM 0 HA LYS A 63 34.026 51.111 26.291 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.412 52.799 26.716 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.627 51.448 25.923 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.651 50.712 28.063 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.505 51.980 28.919 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.310 53.697 27.505 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.413 52.405 26.732 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.390 51.747 28.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.424 52.842 29.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.242 53.776 29.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.407 54.703 28.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.405 53.642 27.729 1.00 0.00 H new ATOM 1020 N GLU A 64 34.901 52.274 28.399 1.00 0.00 N ATOM 1021 CA GLU A 64 35.652 52.716 29.557 1.00 0.00 C ATOM 1022 C GLU A 64 36.595 51.656 30.127 1.00 0.00 C ATOM 1023 O GLU A 64 36.968 51.711 31.297 1.00 0.00 O ATOM 1024 CB GLU A 64 34.693 53.335 30.570 1.00 0.00 C ATOM 1025 CG GLU A 64 35.272 54.298 31.603 1.00 0.00 C ATOM 1026 CD GLU A 64 35.740 55.629 31.010 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.953 56.269 30.280 1.00 0.00 O ATOM 1028 OE2 GLU A 64 36.861 56.068 31.347 1.00 0.00 O ATOM 0 H GLU A 64 35.108 52.812 27.558 1.00 0.00 H new ATOM 0 HA GLU A 64 36.348 53.495 29.245 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.917 53.864 30.017 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.203 52.523 31.107 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.518 54.495 32.365 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.113 53.818 32.103 1.00 0.00 H new ATOM 1035 N SER A 65 37.021 50.682 29.326 1.00 0.00 N ATOM 1036 CA SER A 65 38.001 49.685 29.705 1.00 0.00 C ATOM 1037 C SER A 65 39.427 50.116 29.355 1.00 0.00 C ATOM 1038 O SER A 65 39.649 50.707 28.301 1.00 0.00 O ATOM 1039 CB SER A 65 37.751 48.331 29.048 1.00 0.00 C ATOM 1040 OG SER A 65 36.453 47.853 29.322 1.00 0.00 O ATOM 0 H SER A 65 36.681 50.567 28.371 1.00 0.00 H new ATOM 0 HA SER A 65 37.894 49.588 30.785 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.887 48.418 27.970 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.487 47.611 29.405 1.00 0.00 H new ATOM 0 HG SER A 65 35.798 48.378 28.816 1.00 0.00 H new ATOM 1046 N THR A 66 40.397 49.740 30.184 1.00 0.00 N ATOM 1047 CA THR A 66 41.816 49.867 29.913 1.00 0.00 C ATOM 1048 C THR A 66 42.448 48.490 29.696 1.00 0.00 C ATOM 1049 O THR A 66 42.295 47.587 30.515 1.00 0.00 O ATOM 1050 CB THR A 66 42.529 50.622 31.032 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.051 51.944 31.118 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.033 50.737 30.803 1.00 0.00 C ATOM 0 H THR A 66 40.204 49.324 31.095 1.00 0.00 H new ATOM 0 HA THR A 66 41.932 50.447 28.997 1.00 0.00 H new ATOM 0 HB THR A 66 42.331 50.049 31.938 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.517 52.414 31.841 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.486 51.283 31.630 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.469 49.740 30.744 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.219 51.270 29.871 1.00 0.00 H new ATOM 1060 N LEU A 67 43.193 48.334 28.605 1.00 0.00 N ATOM 1061 CA LEU A 67 44.010 47.182 28.285 1.00 0.00 C ATOM 1062 C LEU A 67 45.483 47.498 28.553 1.00 0.00 C ATOM 1063 O LEU A 67 45.923 48.619 28.312 1.00 0.00 O ATOM 1064 CB LEU A 67 43.806 46.772 26.829 1.00 0.00 C ATOM 1065 CG LEU A 67 42.370 46.674 26.324 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.366 46.220 24.868 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.515 45.690 27.118 1.00 0.00 C ATOM 0 H LEU A 67 43.241 49.053 27.883 1.00 0.00 H new ATOM 0 HA LEU A 67 43.709 46.348 28.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.337 47.487 26.200 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.282 45.803 26.682 1.00 0.00 H new ATOM 0 HG LEU A 67 41.941 47.669 26.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.338 46.151 24.511 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.914 46.941 24.261 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.843 45.243 24.790 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.506 45.670 26.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.953 44.694 27.055 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.474 46.003 28.161 1.00 0.00 H new ATOM 1079 N HIS A 68 46.273 46.515 28.976 1.00 0.00 N ATOM 1080 CA HIS A 68 47.713 46.647 29.075 1.00 0.00 C ATOM 1081 C HIS A 68 48.377 45.956 27.882 1.00 0.00 C ATOM 1082 O HIS A 68 47.963 44.871 27.483 1.00 0.00 O ATOM 1083 CB HIS A 68 48.221 46.133 30.419 1.00 0.00 C ATOM 1084 CG HIS A 68 47.597 46.808 31.609 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.117 47.906 32.293 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.407 46.451 32.187 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.214 48.214 33.227 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.182 47.355 33.207 1.00 0.00 N ATOM 0 H HIS A 68 45.924 45.600 29.260 1.00 0.00 H new ATOM 0 HA HIS A 68 47.985 47.702 29.036 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.031 45.061 30.481 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.302 46.268 30.463 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.771 45.626 31.902 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.302 49.046 33.910 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.377 47.368 33.833 1.00 0.00 H new ATOM 1096 N LEU A 69 49.406 46.576 27.311 1.00 0.00 N ATOM 1097 CA LEU A 69 50.114 46.116 26.133 1.00 0.00 C ATOM 1098 C LEU A 69 51.586 45.880 26.475 1.00 0.00 C ATOM 1099 O LEU A 69 52.304 46.819 26.817 1.00 0.00 O ATOM 1100 CB LEU A 69 49.933 47.155 25.029 1.00 0.00 C ATOM 1101 CG LEU A 69 50.724 46.889 23.751 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.260 45.630 23.025 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.560 48.073 22.802 1.00 0.00 C ATOM 0 H LEU A 69 49.781 47.451 27.677 1.00 0.00 H new ATOM 0 HA LEU A 69 49.714 45.166 25.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.874 47.213 24.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.222 48.131 25.420 1.00 0.00 H new ATOM 0 HG LEU A 69 51.765 46.749 24.043 1.00 0.00 H new ATOM 0 HD11 LEU A 69 50.856 45.489 22.124 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.382 44.767 23.679 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.210 45.733 22.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.124 47.887 21.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.505 48.201 22.559 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.934 48.978 23.281 1.00 0.00 H new ATOM 1115 N VAL A 70 52.042 44.638 26.342 1.00 0.00 N ATOM 1116 CA VAL A 70 53.397 44.217 26.632 1.00 0.00 C ATOM 1117 C VAL A 70 54.051 43.554 25.417 1.00 0.00 C ATOM 1118 O VAL A 70 53.370 43.165 24.471 1.00 0.00 O ATOM 1119 CB VAL A 70 53.465 43.324 27.868 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.904 44.036 29.095 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.749 41.987 27.697 1.00 0.00 C ATOM 0 H VAL A 70 51.451 43.873 26.017 1.00 0.00 H new ATOM 0 HA VAL A 70 53.970 45.116 26.860 1.00 0.00 H new ATOM 0 HB VAL A 70 54.525 43.113 28.009 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.966 43.375 29.959 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.482 44.940 29.287 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.862 44.303 28.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.839 41.406 28.615 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.695 42.164 27.481 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.201 41.435 26.872 1.00 0.00 H new