USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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= 1.28 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 0.914 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.35 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0.901 (180deg=0.548) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00505 USER MOD Single : A 22 THR OG1 : rot 131:sc= 0.125 USER MOD Single : A 25 ASN : amide:sc= -0.933 K(o=-0.93,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.916) USER MOD Single : A 31 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.66) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 41 GLN : amide:sc= 1.64 K(o=1.6,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.019 K(o=-0.019,f=-0.71) USER MOD Single : A 59 TYR OH : rot 166:sc= 0.52 USER MOD Single : A 60 ASN : amide:sc= -0.0608 K(o=-0.061,f=-0.75) 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 83:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.869 52.633 20.131 1.00 0.00 N ATOM 2 CA MET A 1 33.059 52.966 21.551 1.00 0.00 C ATOM 3 C MET A 1 34.552 53.128 21.840 1.00 0.00 C ATOM 4 O MET A 1 35.362 52.465 21.195 1.00 0.00 O ATOM 5 CB MET A 1 32.414 51.935 22.472 1.00 0.00 C ATOM 6 CG MET A 1 33.108 50.576 22.503 1.00 0.00 C ATOM 7 SD MET A 1 32.280 49.352 23.547 1.00 0.00 S ATOM 8 CE MET A 1 33.549 48.063 23.591 1.00 0.00 C ATOM 0 H1 MET A 1 31.854 52.639 19.906 1.00 0.00 H new ATOM 0 H2 MET A 1 33.359 53.336 19.541 1.00 0.00 H new ATOM 0 H3 MET A 1 33.260 51.688 19.941 1.00 0.00 H new ATOM 0 HA MET A 1 32.556 53.911 21.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.391 52.338 23.485 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.379 51.791 22.163 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.171 50.188 21.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.130 50.709 22.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.199 47.228 24.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.750 47.716 22.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.464 48.468 24.024 1.00 0.00 H new ATOM 20 N GLN A 2 34.915 53.958 22.814 1.00 0.00 N ATOM 21 CA GLN A 2 36.294 54.161 23.210 1.00 0.00 C ATOM 22 C GLN A 2 36.815 52.993 24.048 1.00 0.00 C ATOM 23 O GLN A 2 36.118 52.520 24.944 1.00 0.00 O ATOM 24 CB GLN A 2 36.410 55.492 23.947 1.00 0.00 C ATOM 25 CG GLN A 2 37.827 55.804 24.421 1.00 0.00 C ATOM 26 CD GLN A 2 37.975 57.244 24.918 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.496 57.614 25.988 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.585 58.131 24.136 1.00 0.00 N ATOM 0 H GLN A 2 34.249 54.511 23.352 1.00 0.00 H new ATOM 0 HA GLN A 2 36.922 54.198 22.320 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.071 56.293 23.290 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.742 55.481 24.808 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.098 55.117 25.222 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.527 55.632 23.603 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.986 57.835 23.246 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.651 59.106 24.427 1.00 0.00 H new ATOM 37 N ILE A 3 38.062 52.591 23.819 1.00 0.00 N ATOM 38 CA ILE A 3 38.888 51.896 24.784 1.00 0.00 C ATOM 39 C ILE A 3 40.251 52.580 24.908 1.00 0.00 C ATOM 40 O ILE A 3 40.655 53.339 24.031 1.00 0.00 O ATOM 41 CB ILE A 3 39.034 50.407 24.480 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.685 50.144 23.126 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.703 49.678 24.634 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.152 48.705 22.919 1.00 0.00 C ATOM 0 H ILE A 3 38.534 52.748 22.928 1.00 0.00 H new ATOM 0 HA ILE A 3 38.378 51.955 25.746 1.00 0.00 H new ATOM 0 HB ILE A 3 39.718 49.996 25.223 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.975 50.399 22.339 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.540 50.810 23.012 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.840 48.620 24.411 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.343 49.790 25.657 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.974 50.103 23.944 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.602 48.607 21.931 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.888 48.448 23.680 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.299 48.031 22.997 1.00 0.00 H new ATOM 56 N PHE A 4 40.983 52.267 25.973 1.00 0.00 N ATOM 57 CA PHE A 4 42.337 52.726 26.205 1.00 0.00 C ATOM 58 C PHE A 4 43.315 51.550 26.169 1.00 0.00 C ATOM 59 O PHE A 4 43.037 50.489 26.724 1.00 0.00 O ATOM 60 CB PHE A 4 42.420 53.443 27.551 1.00 0.00 C ATOM 61 CG PHE A 4 41.572 54.687 27.668 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.028 55.894 27.123 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.349 54.648 28.347 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.279 57.067 27.278 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.595 55.817 28.499 1.00 0.00 C ATOM 66 CZ PHE A 4 40.063 57.026 27.971 1.00 0.00 C ATOM 0 H PHE A 4 40.633 51.667 26.719 1.00 0.00 H new ATOM 0 HA PHE A 4 42.611 53.424 25.414 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.125 52.746 28.335 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.460 53.712 27.738 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.962 55.920 26.581 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.987 53.715 28.754 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.637 57.998 26.865 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.652 55.786 29.024 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.485 57.929 28.098 1.00 0.00 H new ATOM 76 N VAL A 5 44.488 51.752 25.576 1.00 0.00 N ATOM 77 CA VAL A 5 45.629 50.862 25.659 1.00 0.00 C ATOM 78 C VAL A 5 46.742 51.581 26.424 1.00 0.00 C ATOM 79 O VAL A 5 47.011 52.744 26.133 1.00 0.00 O ATOM 80 CB VAL A 5 46.094 50.420 24.274 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.246 49.423 24.359 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.976 49.755 23.478 1.00 0.00 C ATOM 0 H VAL A 5 44.671 52.575 25.002 1.00 0.00 H new ATOM 0 HA VAL A 5 45.349 49.953 26.191 1.00 0.00 H new ATOM 0 HB VAL A 5 46.416 51.332 23.771 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.550 49.131 23.354 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.089 49.884 24.873 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.923 48.540 24.911 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.353 49.457 22.500 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.622 48.874 24.014 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.152 50.458 23.351 1.00 0.00 H new ATOM 92 N LYS A 6 47.363 50.918 27.395 1.00 0.00 N ATOM 93 CA LYS A 6 48.422 51.476 28.213 1.00 0.00 C ATOM 94 C LYS A 6 49.680 50.604 28.220 1.00 0.00 C ATOM 95 O LYS A 6 49.595 49.403 28.464 1.00 0.00 O ATOM 96 CB LYS A 6 47.929 51.750 29.631 1.00 0.00 C ATOM 97 CG LYS A 6 46.823 52.797 29.703 1.00 0.00 C ATOM 98 CD LYS A 6 46.504 53.159 31.151 1.00 0.00 C ATOM 99 CE LYS A 6 45.281 54.066 31.231 1.00 0.00 C ATOM 100 NZ LYS A 6 44.958 54.415 32.624 1.00 0.00 N ATOM 0 H LYS A 6 47.134 49.954 27.637 1.00 0.00 H new ATOM 0 HA LYS A 6 48.706 52.426 27.760 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.565 50.819 30.066 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.770 52.080 30.241 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.128 53.691 29.160 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.926 52.418 29.213 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.325 52.250 31.726 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.362 53.658 31.602 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.464 54.976 30.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.427 53.568 30.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.121 55.033 32.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.760 53.547 33.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.764 54.912 33.053 1.00 0.00 H new ATOM 168 N LYS A 11 52.341 55.302 28.645 1.00 0.00 N ATOM 169 CA LYS A 11 51.832 55.899 27.426 1.00 0.00 C ATOM 170 C LYS A 11 50.425 55.367 27.144 1.00 0.00 C ATOM 171 O LYS A 11 50.242 54.158 27.016 1.00 0.00 O ATOM 172 CB LYS A 11 52.779 55.647 26.256 1.00 0.00 C ATOM 173 CG LYS A 11 52.436 56.514 25.048 1.00 0.00 C ATOM 174 CD LYS A 11 53.356 56.249 23.860 1.00 0.00 C ATOM 175 CE LYS A 11 53.052 57.219 22.721 1.00 0.00 C ATOM 176 NZ LYS A 11 53.905 56.977 21.547 1.00 0.00 N ATOM 0 HA LYS A 11 51.771 56.980 27.555 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.804 55.849 26.568 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.734 54.595 25.973 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.403 56.328 24.753 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.503 57.565 25.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.396 56.355 24.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.228 55.223 23.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.005 57.124 22.434 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.195 58.242 23.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.546 57.524 20.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.880 57.271 21.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.893 55.964 21.312 1.00 0.00 H new ATOM 190 N THR A 12 49.450 56.266 27.046 1.00 0.00 N ATOM 191 CA THR A 12 48.077 55.943 26.714 1.00 0.00 C ATOM 192 C THR A 12 47.824 56.131 25.217 1.00 0.00 C ATOM 193 O THR A 12 48.197 57.155 24.647 1.00 0.00 O ATOM 194 CB THR A 12 47.079 56.764 27.526 1.00 0.00 C ATOM 195 OG1 THR A 12 47.262 56.555 28.909 1.00 0.00 O ATOM 196 CG2 THR A 12 45.634 56.374 27.233 1.00 0.00 C ATOM 0 H THR A 12 49.603 57.263 27.200 1.00 0.00 H new ATOM 0 HA THR A 12 47.925 54.895 26.972 1.00 0.00 H new ATOM 0 HB THR A 12 47.259 57.801 27.244 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.613 57.092 29.410 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.963 56.986 27.835 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.421 56.534 26.176 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.484 55.323 27.478 1.00 0.00 H new ATOM 204 N ILE A 13 47.126 55.183 24.598 1.00 0.00 N ATOM 205 CA ILE A 13 46.624 55.247 23.239 1.00 0.00 C ATOM 206 C ILE A 13 45.115 54.994 23.275 1.00 0.00 C ATOM 207 O ILE A 13 44.657 54.081 23.958 1.00 0.00 O ATOM 208 CB ILE A 13 47.344 54.253 22.332 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.866 54.334 22.410 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.919 54.460 20.881 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.500 53.377 23.415 1.00 0.00 C ATOM 0 H ILE A 13 46.886 54.306 25.060 1.00 0.00 H new ATOM 0 HA ILE A 13 46.817 56.234 22.819 1.00 0.00 H new ATOM 0 HB ILE A 13 47.054 53.266 22.691 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.279 54.130 21.422 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.150 55.354 22.669 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.440 53.745 20.244 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.843 54.309 20.792 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.170 55.474 20.569 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.583 53.502 23.404 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.120 53.594 24.413 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.251 52.350 23.147 1.00 0.00 H new ATOM 223 N THR A 14 44.337 55.791 22.547 1.00 0.00 N ATOM 224 CA THR A 14 42.903 55.646 22.399 1.00 0.00 C ATOM 225 C THR A 14 42.552 54.890 21.116 1.00 0.00 C ATOM 226 O THR A 14 43.156 55.137 20.075 1.00 0.00 O ATOM 227 CB THR A 14 42.185 56.993 22.410 1.00 0.00 C ATOM 228 OG1 THR A 14 42.639 57.825 21.367 1.00 0.00 O ATOM 229 CG2 THR A 14 42.374 57.751 23.721 1.00 0.00 C ATOM 0 H THR A 14 44.709 56.585 22.026 1.00 0.00 H new ATOM 0 HA THR A 14 42.561 55.070 23.259 1.00 0.00 H new ATOM 0 HB THR A 14 41.129 56.757 22.281 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.160 58.680 21.398 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.842 58.701 23.672 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.980 57.156 24.545 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.436 57.938 23.884 1.00 0.00 H new ATOM 237 N LEU A 15 41.563 54.002 21.174 1.00 0.00 N ATOM 238 CA LEU A 15 41.013 53.330 20.013 1.00 0.00 C ATOM 239 C LEU A 15 39.485 53.397 19.994 1.00 0.00 C ATOM 240 O LEU A 15 38.838 53.124 21.002 1.00 0.00 O ATOM 241 CB LEU A 15 41.474 51.877 19.954 1.00 0.00 C ATOM 242 CG LEU A 15 42.963 51.631 19.724 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.257 50.140 19.858 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.428 52.051 18.333 1.00 0.00 C ATOM 0 H LEU A 15 41.117 53.728 22.049 1.00 0.00 H new ATOM 0 HA LEU A 15 41.386 53.853 19.132 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.191 51.394 20.889 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.921 51.378 19.158 1.00 0.00 H new ATOM 0 HG LEU A 15 43.491 52.228 20.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.320 49.963 19.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.983 49.804 20.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.678 49.587 19.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.495 51.851 18.230 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.879 51.486 17.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.243 53.116 18.194 1.00 0.00 H new ATOM 256 N GLU A 16 38.923 53.657 18.817 1.00 0.00 N ATOM 257 CA GLU A 16 37.522 53.446 18.507 1.00 0.00 C ATOM 258 C GLU A 16 37.321 51.989 18.088 1.00 0.00 C ATOM 259 O GLU A 16 37.902 51.542 17.101 1.00 0.00 O ATOM 260 CB GLU A 16 37.097 54.424 17.416 1.00 0.00 C ATOM 261 CG GLU A 16 35.681 54.262 16.873 1.00 0.00 C ATOM 262 CD GLU A 16 34.581 54.815 17.780 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.577 54.546 19.001 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.660 55.495 17.278 1.00 0.00 O ATOM 0 H GLU A 16 39.452 54.033 18.030 1.00 0.00 H new ATOM 0 HA GLU A 16 36.896 53.633 19.380 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.199 55.437 17.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.795 54.331 16.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.619 54.759 15.905 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.492 53.203 16.700 1.00 0.00 H new ATOM 271 N VAL A 17 36.517 51.228 18.824 1.00 0.00 N ATOM 272 CA VAL A 17 36.265 49.819 18.598 1.00 0.00 C ATOM 273 C VAL A 17 34.775 49.474 18.628 1.00 0.00 C ATOM 274 O VAL A 17 33.949 50.244 19.113 1.00 0.00 O ATOM 275 CB VAL A 17 37.031 48.947 19.589 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.542 49.121 19.464 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.613 49.182 21.038 1.00 0.00 C ATOM 0 H VAL A 17 36.005 51.596 19.626 1.00 0.00 H new ATOM 0 HA VAL A 17 36.628 49.605 17.593 1.00 0.00 H new ATOM 0 HB VAL A 17 36.769 47.923 19.323 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.043 48.480 20.189 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.858 48.846 18.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.806 50.161 19.655 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.193 48.533 21.694 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.794 50.223 21.305 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.552 48.958 21.152 1.00 0.00 H new ATOM 287 N GLU A 18 34.446 48.269 18.169 1.00 0.00 N ATOM 288 CA GLU A 18 33.191 47.585 18.405 1.00 0.00 C ATOM 289 C GLU A 18 33.453 46.273 19.147 1.00 0.00 C ATOM 290 O GLU A 18 34.525 45.702 18.968 1.00 0.00 O ATOM 291 CB GLU A 18 32.487 47.324 17.076 1.00 0.00 C ATOM 292 CG GLU A 18 31.410 48.349 16.733 1.00 0.00 C ATOM 293 CD GLU A 18 30.145 48.139 17.568 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.374 47.194 17.292 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.899 48.905 18.524 1.00 0.00 O ATOM 0 H GLU A 18 35.085 47.721 17.593 1.00 0.00 H new ATOM 0 HA GLU A 18 32.544 48.210 19.021 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.230 47.312 16.279 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.035 46.333 17.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.796 49.354 16.903 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.163 48.278 15.674 1.00 0.00 H new ATOM 302 N PRO A 19 32.520 45.727 19.922 1.00 0.00 N ATOM 303 CA PRO A 19 32.715 44.467 20.610 1.00 0.00 C ATOM 304 C PRO A 19 33.010 43.257 19.721 1.00 0.00 C ATOM 305 O PRO A 19 33.499 42.243 20.216 1.00 0.00 O ATOM 306 CB PRO A 19 31.449 44.253 21.436 1.00 0.00 C ATOM 307 CG PRO A 19 30.907 45.662 21.664 1.00 0.00 C ATOM 308 CD PRO A 19 31.297 46.365 20.366 1.00 0.00 C ATOM 0 HA PRO A 19 33.620 44.539 21.214 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.728 43.630 20.906 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.669 43.754 22.380 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.828 45.664 21.821 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.357 46.136 22.536 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.511 46.267 19.617 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.450 47.432 20.530 1.00 0.00 H new ATOM 316 N SER A 20 32.733 43.343 18.424 1.00 0.00 N ATOM 317 CA SER A 20 33.077 42.363 17.412 1.00 0.00 C ATOM 318 C SER A 20 34.461 42.522 16.782 1.00 0.00 C ATOM 319 O SER A 20 34.836 41.713 15.936 1.00 0.00 O ATOM 320 CB SER A 20 32.013 42.352 16.319 1.00 0.00 C ATOM 321 OG SER A 20 31.864 43.641 15.767 1.00 0.00 O ATOM 0 H SER A 20 32.235 44.144 18.034 1.00 0.00 H new ATOM 0 HA SER A 20 33.113 41.411 17.942 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.292 41.645 15.538 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.062 42.013 16.731 1.00 0.00 H new ATOM 0 HG SER A 20 31.180 43.620 15.066 1.00 0.00 H new ATOM 327 N ASP A 21 35.246 43.529 17.156 1.00 0.00 N ATOM 328 CA ASP A 21 36.614 43.658 16.699 1.00 0.00 C ATOM 329 C ASP A 21 37.440 42.456 17.164 1.00 0.00 C ATOM 330 O ASP A 21 37.400 42.074 18.331 1.00 0.00 O ATOM 331 CB ASP A 21 37.252 44.966 17.157 1.00 0.00 C ATOM 332 CG ASP A 21 36.842 46.205 16.359 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.875 46.169 15.568 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.544 47.236 16.444 1.00 0.00 O ATOM 0 H ASP A 21 34.946 44.275 17.784 1.00 0.00 H new ATOM 0 HA ASP A 21 36.599 43.678 15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.999 45.128 18.205 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.336 44.861 17.104 1.00 0.00 H new ATOM 339 N THR A 22 38.193 41.847 16.252 1.00 0.00 N ATOM 340 CA THR A 22 39.058 40.721 16.542 1.00 0.00 C ATOM 341 C THR A 22 40.329 41.140 17.284 1.00 0.00 C ATOM 342 O THR A 22 40.831 42.245 17.094 1.00 0.00 O ATOM 343 CB THR A 22 39.425 39.919 15.296 1.00 0.00 C ATOM 344 OG1 THR A 22 40.052 40.712 14.313 1.00 0.00 O ATOM 345 CG2 THR A 22 38.227 39.245 14.634 1.00 0.00 C ATOM 0 H THR A 22 38.215 42.133 15.273 1.00 0.00 H new ATOM 0 HA THR A 22 38.474 40.074 17.196 1.00 0.00 H new ATOM 0 HB THR A 22 40.110 39.157 15.667 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.867 40.265 14.003 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.560 38.693 13.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.761 38.557 15.340 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.503 40.003 14.334 1.00 0.00 H new ATOM 353 N ILE A 23 40.903 40.236 18.072 1.00 0.00 N ATOM 354 CA ILE A 23 42.167 40.452 18.746 1.00 0.00 C ATOM 355 C ILE A 23 43.275 40.785 17.743 1.00 0.00 C ATOM 356 O ILE A 23 44.043 41.712 17.988 1.00 0.00 O ATOM 357 CB ILE A 23 42.497 39.254 19.632 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.513 39.068 20.784 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.917 39.301 20.188 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.179 40.309 21.607 1.00 0.00 C ATOM 0 H ILE A 23 40.492 39.321 18.259 1.00 0.00 H new ATOM 0 HA ILE A 23 42.085 41.320 19.400 1.00 0.00 H new ATOM 0 HB ILE A 23 42.411 38.396 18.966 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.584 38.669 20.377 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.916 38.312 21.457 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.093 38.423 20.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.630 39.311 19.364 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.043 40.202 20.788 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.471 40.045 22.393 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.090 40.703 22.057 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.737 41.067 20.960 1.00 0.00 H new ATOM 372 N GLU A 24 43.312 40.116 16.595 1.00 0.00 N ATOM 373 CA GLU A 24 44.241 40.394 15.518 1.00 0.00 C ATOM 374 C GLU A 24 44.013 41.759 14.865 1.00 0.00 C ATOM 375 O GLU A 24 44.981 42.426 14.507 1.00 0.00 O ATOM 376 CB GLU A 24 44.170 39.313 14.443 1.00 0.00 C ATOM 377 CG GLU A 24 44.380 37.890 14.954 1.00 0.00 C ATOM 378 CD GLU A 24 43.060 37.144 15.158 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.315 37.445 16.116 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.761 36.235 14.354 1.00 0.00 O ATOM 0 H GLU A 24 42.677 39.345 16.388 1.00 0.00 H new ATOM 0 HA GLU A 24 45.230 40.404 15.977 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.197 39.369 13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.921 39.526 13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.000 37.340 14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.926 37.922 15.897 1.00 0.00 H new ATOM 387 N ASN A 25 42.771 42.208 14.709 1.00 0.00 N ATOM 388 CA ASN A 25 42.491 43.531 14.190 1.00 0.00 C ATOM 389 C ASN A 25 42.929 44.623 15.168 1.00 0.00 C ATOM 390 O ASN A 25 43.550 45.598 14.752 1.00 0.00 O ATOM 391 CB ASN A 25 41.017 43.646 13.812 1.00 0.00 C ATOM 392 CG ASN A 25 40.643 45.030 13.277 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.832 45.748 13.857 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.215 45.437 12.147 1.00 0.00 N ATOM 0 H ASN A 25 41.939 41.664 14.939 1.00 0.00 H new ATOM 0 HA ASN A 25 43.078 43.681 13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.781 42.895 13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.405 43.423 14.686 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.981 46.350 11.757 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.887 44.836 11.671 1.00 0.00 H new ATOM 401 N VAL A 26 42.695 44.444 16.466 1.00 0.00 N ATOM 402 CA VAL A 26 43.160 45.379 17.470 1.00 0.00 C ATOM 403 C VAL A 26 44.688 45.431 17.522 1.00 0.00 C ATOM 404 O VAL A 26 45.235 46.527 17.604 1.00 0.00 O ATOM 405 CB VAL A 26 42.515 45.081 18.820 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.072 45.948 19.945 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.013 45.342 18.754 1.00 0.00 C ATOM 0 H VAL A 26 42.180 43.649 16.843 1.00 0.00 H new ATOM 0 HA VAL A 26 42.843 46.383 17.189 1.00 0.00 H new ATOM 0 HB VAL A 26 42.735 44.035 19.034 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.576 45.692 20.881 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.144 45.774 20.042 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.895 46.999 19.716 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.563 45.126 19.723 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.836 46.386 18.497 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.565 44.700 17.995 1.00 0.00 H new ATOM 417 N LYS A 27 45.394 44.314 17.370 1.00 0.00 N ATOM 418 CA LYS A 27 46.839 44.309 17.252 1.00 0.00 C ATOM 419 C LYS A 27 47.332 45.015 15.987 1.00 0.00 C ATOM 420 O LYS A 27 48.291 45.780 16.057 1.00 0.00 O ATOM 421 CB LYS A 27 47.380 42.884 17.331 1.00 0.00 C ATOM 422 CG LYS A 27 47.259 42.285 18.729 1.00 0.00 C ATOM 423 CD LYS A 27 47.542 40.784 18.726 1.00 0.00 C ATOM 424 CE LYS A 27 47.422 40.184 20.125 1.00 0.00 C ATOM 425 NZ LYS A 27 47.739 38.748 20.106 1.00 0.00 N ATOM 0 H LYS A 27 44.973 43.386 17.326 1.00 0.00 H new ATOM 0 HA LYS A 27 47.228 44.879 18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.841 42.255 16.623 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.427 42.880 17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.956 42.786 19.401 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.257 42.466 19.117 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.845 40.284 18.054 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.544 40.603 18.337 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.097 40.701 20.807 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.411 40.333 20.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.412 38.309 20.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.262 38.298 19.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.767 38.621 20.015 1.00 0.00 H new ATOM 439 N ALA A 28 46.655 44.840 14.856 1.00 0.00 N ATOM 440 CA ALA A 28 46.956 45.538 13.623 1.00 0.00 C ATOM 441 C ALA A 28 46.674 47.041 13.690 1.00 0.00 C ATOM 442 O ALA A 28 47.427 47.829 13.124 1.00 0.00 O ATOM 443 CB ALA A 28 46.193 44.865 12.485 1.00 0.00 C ATOM 0 H ALA A 28 45.868 44.196 14.776 1.00 0.00 H new ATOM 0 HA ALA A 28 48.029 45.467 13.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.409 45.379 11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.502 43.823 12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.123 44.912 12.687 1.00 0.00 H new ATOM 449 N LYS A 29 45.650 47.460 14.429 1.00 0.00 N ATOM 450 CA LYS A 29 45.375 48.845 14.752 1.00 0.00 C ATOM 451 C LYS A 29 46.469 49.443 15.639 1.00 0.00 C ATOM 452 O LYS A 29 46.936 50.545 15.358 1.00 0.00 O ATOM 453 CB LYS A 29 44.002 48.975 15.406 1.00 0.00 C ATOM 454 CG LYS A 29 42.825 48.835 14.445 1.00 0.00 C ATOM 455 CD LYS A 29 41.501 48.769 15.200 1.00 0.00 C ATOM 456 CE LYS A 29 40.310 48.846 14.249 1.00 0.00 C ATOM 457 NZ LYS A 29 39.041 49.013 14.976 1.00 0.00 N ATOM 0 H LYS A 29 44.968 46.816 14.831 1.00 0.00 H new ATOM 0 HA LYS A 29 45.369 49.414 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.911 48.217 16.184 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.939 49.946 15.898 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.812 49.680 13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.949 47.935 13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.453 47.842 15.771 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.449 49.588 15.917 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.447 49.680 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.267 47.939 13.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.302 49.329 14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.761 48.105 15.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.162 49.723 15.727 1.00 0.00 H new ATOM 471 N ILE A 30 46.948 48.722 16.648 1.00 0.00 N ATOM 472 CA ILE A 30 48.074 49.132 17.463 1.00 0.00 C ATOM 473 C ILE A 30 49.344 49.267 16.622 1.00 0.00 C ATOM 474 O ILE A 30 50.103 50.212 16.825 1.00 0.00 O ATOM 475 CB ILE A 30 48.244 48.196 18.657 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.085 48.377 19.633 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.564 48.428 19.390 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.960 47.244 20.648 1.00 0.00 C ATOM 0 H ILE A 30 46.554 47.822 16.923 1.00 0.00 H new ATOM 0 HA ILE A 30 47.872 50.123 17.868 1.00 0.00 H new ATOM 0 HB ILE A 30 48.252 47.178 18.268 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.213 49.319 20.166 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.155 48.454 19.070 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.639 47.739 20.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.395 48.257 18.706 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.601 49.454 19.757 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.116 47.439 21.309 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.800 46.302 20.124 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.875 47.181 21.237 1.00 0.00 H new ATOM 490 N GLN A 31 49.559 48.416 15.621 1.00 0.00 N ATOM 491 CA GLN A 31 50.637 48.598 14.671 1.00 0.00 C ATOM 492 C GLN A 31 50.474 49.898 13.883 1.00 0.00 C ATOM 493 O GLN A 31 51.440 50.649 13.754 1.00 0.00 O ATOM 494 CB GLN A 31 50.755 47.390 13.745 1.00 0.00 C ATOM 495 CG GLN A 31 52.053 47.408 12.943 1.00 0.00 C ATOM 496 CD GLN A 31 52.129 46.323 11.867 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.163 45.630 11.555 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.277 46.155 11.216 1.00 0.00 N ATOM 0 H GLN A 31 48.990 47.587 15.452 1.00 0.00 H new ATOM 0 HA GLN A 31 51.568 48.678 15.232 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.706 46.475 14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.907 47.374 13.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.164 48.384 12.470 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.893 47.288 13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.090 46.721 11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.345 45.460 10.472 1.00 0.00 H new ATOM 507 N ASP A 32 49.279 50.243 13.410 1.00 0.00 N ATOM 508 CA ASP A 32 49.062 51.491 12.705 1.00 0.00 C ATOM 509 C ASP A 32 49.257 52.730 13.581 1.00 0.00 C ATOM 510 O ASP A 32 49.767 53.741 13.102 1.00 0.00 O ATOM 511 CB ASP A 32 47.675 51.501 12.070 1.00 0.00 C ATOM 512 CG ASP A 32 47.532 52.601 11.016 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.452 52.769 10.186 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.466 53.253 10.977 1.00 0.00 O ATOM 0 H ASP A 32 48.443 49.666 13.507 1.00 0.00 H new ATOM 0 HA ASP A 32 49.825 51.545 11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.480 50.532 11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.923 51.643 12.846 1.00 0.00 H new ATOM 519 N LYS A 33 48.874 52.672 14.853 1.00 0.00 N ATOM 520 CA LYS A 33 48.933 53.789 15.774 1.00 0.00 C ATOM 521 C LYS A 33 50.291 53.980 16.453 1.00 0.00 C ATOM 522 O LYS A 33 50.642 55.125 16.731 1.00 0.00 O ATOM 523 CB LYS A 33 47.787 53.701 16.778 1.00 0.00 C ATOM 524 CG LYS A 33 46.480 54.325 16.299 1.00 0.00 C ATOM 525 CD LYS A 33 45.768 53.599 15.159 1.00 0.00 C ATOM 526 CE LYS A 33 44.428 54.216 14.770 1.00 0.00 C ATOM 527 NZ LYS A 33 44.563 55.572 14.216 1.00 0.00 N ATOM 0 H LYS A 33 48.505 51.821 15.277 1.00 0.00 H new ATOM 0 HA LYS A 33 48.810 54.692 15.176 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.609 52.652 17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.092 54.191 17.703 1.00 0.00 H new ATOM 0 HG2 LYS A 33 45.798 54.385 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.684 55.347 15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.419 53.590 14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.608 52.560 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.938 53.576 14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.781 54.249 15.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.623 55.942 13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.005 56.194 14.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.157 55.541 13.363 1.00 0.00 H new ATOM 541 N GLU A 34 51.064 52.927 16.701 1.00 0.00 N ATOM 542 CA GLU A 34 52.335 52.974 17.396 1.00 0.00 C ATOM 543 C GLU A 34 53.519 52.347 16.658 1.00 0.00 C ATOM 544 O GLU A 34 54.656 52.538 17.086 1.00 0.00 O ATOM 545 CB GLU A 34 52.197 52.336 18.776 1.00 0.00 C ATOM 546 CG GLU A 34 51.474 53.195 19.809 1.00 0.00 C ATOM 547 CD GLU A 34 52.262 54.434 20.241 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.459 54.329 20.586 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.699 55.549 20.234 1.00 0.00 O ATOM 0 H GLU A 34 50.807 51.984 16.410 1.00 0.00 H new ATOM 0 HA GLU A 34 52.573 54.035 17.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.663 51.391 18.672 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.192 52.100 19.153 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.515 53.511 19.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.260 52.587 20.688 1.00 0.00 H new ATOM 556 N GLY A 35 53.321 51.617 15.564 1.00 0.00 N ATOM 557 CA GLY A 35 54.372 51.015 14.769 1.00 0.00 C ATOM 558 C GLY A 35 54.862 49.640 15.223 1.00 0.00 C ATOM 559 O GLY A 35 55.774 49.088 14.611 1.00 0.00 O ATOM 0 H GLY A 35 52.388 51.425 15.199 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.018 50.930 13.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.224 51.695 14.757 1.00 0.00 H new ATOM 563 N ILE A 36 54.270 49.068 16.268 1.00 0.00 N ATOM 564 CA ILE A 36 54.733 47.858 16.918 1.00 0.00 C ATOM 565 C ILE A 36 54.179 46.636 16.182 1.00 0.00 C ATOM 566 O ILE A 36 52.959 46.494 16.152 1.00 0.00 O ATOM 567 CB ILE A 36 54.331 47.853 18.390 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.743 49.112 19.148 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.927 46.633 19.088 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.986 49.316 20.457 1.00 0.00 C ATOM 0 H ILE A 36 53.427 49.451 16.695 1.00 0.00 H new ATOM 0 HA ILE A 36 55.822 47.820 16.877 1.00 0.00 H new ATOM 0 HB ILE A 36 53.242 47.819 18.403 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.811 49.064 19.360 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.584 49.979 18.507 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.636 46.636 20.138 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.558 45.725 18.612 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.014 46.666 19.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.333 50.230 20.939 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.919 49.396 20.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.165 48.467 21.117 1.00 0.00 H new ATOM 582 N PRO A 37 54.989 45.738 15.629 1.00 0.00 N ATOM 583 CA PRO A 37 54.498 44.562 14.938 1.00 0.00 C ATOM 584 C PRO A 37 53.649 43.658 15.834 1.00 0.00 C ATOM 585 O PRO A 37 54.049 43.433 16.973 1.00 0.00 O ATOM 586 CB PRO A 37 55.729 43.812 14.437 1.00 0.00 C ATOM 587 CG PRO A 37 56.811 44.886 14.371 1.00 0.00 C ATOM 588 CD PRO A 37 56.432 45.809 15.524 1.00 0.00 C ATOM 0 HA PRO A 37 53.841 44.863 14.122 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.008 43.005 15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.553 43.362 13.460 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.808 44.465 14.499 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.806 45.409 13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.908 45.491 16.452 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.760 46.830 15.331 1.00 0.00 H new ATOM 596 N PRO A 38 52.534 43.096 15.374 1.00 0.00 N ATOM 597 CA PRO A 38 51.689 42.223 16.163 1.00 0.00 C ATOM 598 C PRO A 38 52.402 41.051 16.840 1.00 0.00 C ATOM 599 O PRO A 38 52.066 40.707 17.971 1.00 0.00 O ATOM 600 CB PRO A 38 50.611 41.728 15.203 1.00 0.00 C ATOM 601 CG PRO A 38 50.432 42.926 14.275 1.00 0.00 C ATOM 602 CD PRO A 38 51.865 43.434 14.134 1.00 0.00 C ATOM 0 HA PRO A 38 51.293 42.787 17.008 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.927 40.837 14.661 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.687 41.474 15.723 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.005 42.638 13.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.772 43.680 14.704 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.362 42.968 13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.882 44.510 13.963 1.00 0.00 H new ATOM 610 N ASP A 39 53.432 40.482 16.220 1.00 0.00 N ATOM 611 CA ASP A 39 54.225 39.396 16.759 1.00 0.00 C ATOM 612 C ASP A 39 55.235 39.821 17.826 1.00 0.00 C ATOM 613 O ASP A 39 55.900 38.971 18.416 1.00 0.00 O ATOM 614 CB ASP A 39 54.899 38.645 15.614 1.00 0.00 C ATOM 615 CG ASP A 39 55.949 39.499 14.899 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.547 40.439 14.180 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.157 39.211 15.044 1.00 0.00 O ATOM 0 H ASP A 39 53.744 40.780 15.295 1.00 0.00 H new ATOM 0 HA ASP A 39 53.538 38.733 17.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.371 37.742 16.002 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.143 38.326 14.896 1.00 0.00 H new ATOM 622 N GLN A 40 55.362 41.119 18.089 1.00 0.00 N ATOM 623 CA GLN A 40 56.152 41.705 19.153 1.00 0.00 C ATOM 624 C GLN A 40 55.297 42.256 20.296 1.00 0.00 C ATOM 625 O GLN A 40 55.826 42.525 21.372 1.00 0.00 O ATOM 626 CB GLN A 40 57.055 42.788 18.571 1.00 0.00 C ATOM 627 CG GLN A 40 58.084 42.245 17.583 1.00 0.00 C ATOM 628 CD GLN A 40 59.060 43.299 17.057 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.108 44.451 17.482 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.892 42.917 16.091 1.00 0.00 N ATOM 0 H GLN A 40 54.886 41.826 17.529 1.00 0.00 H new ATOM 0 HA GLN A 40 56.761 40.914 19.591 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.439 43.535 18.071 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.574 43.295 19.384 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.651 41.449 18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.560 41.797 16.739 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.856 41.962 15.735 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.566 43.579 15.707 1.00 0.00 H new ATOM 639 N GLN A 41 53.989 42.395 20.096 1.00 0.00 N ATOM 640 CA GLN A 41 53.021 42.779 21.104 1.00 0.00 C ATOM 641 C GLN A 41 52.607 41.576 21.953 1.00 0.00 C ATOM 642 O GLN A 41 52.547 40.456 21.451 1.00 0.00 O ATOM 643 CB GLN A 41 51.767 43.348 20.445 1.00 0.00 C ATOM 644 CG GLN A 41 51.948 44.592 19.581 1.00 0.00 C ATOM 645 CD GLN A 41 50.659 44.990 18.859 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.548 44.809 19.351 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.732 45.541 17.650 1.00 0.00 N ATOM 0 H GLN A 41 53.562 42.234 19.184 1.00 0.00 H new ATOM 0 HA GLN A 41 53.491 43.531 21.738 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.324 42.567 19.827 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.047 43.581 21.229 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.282 45.420 20.206 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.732 44.410 18.846 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.641 45.703 17.217 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.879 45.802 17.156 1.00 0.00 H new ATOM 656 N ARG A 42 52.218 41.802 23.205 1.00 0.00 N ATOM 657 CA ARG A 42 51.332 40.935 23.954 1.00 0.00 C ATOM 658 C ARG A 42 50.385 41.785 24.803 1.00 0.00 C ATOM 659 O ARG A 42 50.800 42.838 25.283 1.00 0.00 O ATOM 660 CB ARG A 42 52.139 39.943 24.785 1.00 0.00 C ATOM 661 CG ARG A 42 51.354 38.669 25.088 1.00 0.00 C ATOM 662 CD ARG A 42 52.054 37.749 26.084 1.00 0.00 C ATOM 663 NE ARG A 42 53.386 37.315 25.664 1.00 0.00 N ATOM 664 CZ ARG A 42 53.692 36.358 24.777 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.760 35.716 24.059 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.967 36.009 24.565 1.00 0.00 N ATOM 0 H ARG A 42 52.523 42.618 23.736 1.00 0.00 H new ATOM 0 HA ARG A 42 50.721 40.345 23.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.054 39.685 24.252 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.438 40.415 25.721 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.374 38.940 25.481 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.185 38.125 24.159 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.137 38.264 27.041 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.432 36.869 26.248 1.00 0.00 H new ATOM 0 HE ARG A 42 54.174 37.797 26.097 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.774 35.950 24.177 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.036 34.993 23.394 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.715 36.473 25.081 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.190 35.280 23.888 1.00 0.00 H new ATOM 680 N LEU A 43 49.131 41.378 24.980 1.00 0.00 N ATOM 681 CA LEU A 43 48.131 42.136 25.703 1.00 0.00 C ATOM 682 C LEU A 43 47.419 41.344 26.802 1.00 0.00 C ATOM 683 O LEU A 43 47.207 40.142 26.668 1.00 0.00 O ATOM 684 CB LEU A 43 47.111 42.768 24.761 1.00 0.00 C ATOM 685 CG LEU A 43 47.668 43.842 23.831 1.00 0.00 C ATOM 686 CD1 LEU A 43 48.013 43.282 22.453 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.644 44.956 23.633 1.00 0.00 C ATOM 0 H LEU A 43 48.781 40.492 24.615 1.00 0.00 H new ATOM 0 HA LEU A 43 48.690 42.926 26.205 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.663 41.981 24.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.311 43.205 25.358 1.00 0.00 H new ATOM 0 HG LEU A 43 48.573 44.223 24.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 48.406 44.081 21.824 1.00 0.00 H new ATOM 0 HD12 LEU A 43 48.764 42.499 22.556 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.116 42.867 21.994 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.056 45.715 22.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.736 44.542 23.194 1.00 0.00 H new ATOM 0 HD23 LEU A 43 46.407 45.408 24.596 1.00 0.00 H new ATOM 699 N ILE A 44 47.026 42.045 27.862 1.00 0.00 N ATOM 700 CA ILE A 44 46.381 41.519 29.048 1.00 0.00 C ATOM 701 C ILE A 44 45.156 42.363 29.412 1.00 0.00 C ATOM 702 O ILE A 44 45.202 43.589 29.346 1.00 0.00 O ATOM 703 CB ILE A 44 47.345 41.387 30.224 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.733 40.850 29.887 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.757 40.475 31.296 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.756 41.915 29.508 1.00 0.00 C ATOM 0 H ILE A 44 47.160 43.055 27.913 1.00 0.00 H new ATOM 0 HA ILE A 44 46.043 40.509 28.817 1.00 0.00 H new ATOM 0 HB ILE A 44 47.473 42.414 30.567 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.110 40.293 30.745 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.643 40.143 29.062 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.457 40.392 32.127 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.817 40.894 31.654 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.576 39.487 30.874 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.711 41.439 29.286 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.408 42.458 28.629 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.882 42.611 30.338 1.00 0.00 H new ATOM 718 N PHE A 45 44.067 41.719 29.822 1.00 0.00 N ATOM 719 CA PHE A 45 42.869 42.334 30.357 1.00 0.00 C ATOM 720 C PHE A 45 42.253 41.463 31.455 1.00 0.00 C ATOM 721 O PHE A 45 42.074 40.263 31.261 1.00 0.00 O ATOM 722 CB PHE A 45 41.863 42.554 29.232 1.00 0.00 C ATOM 723 CG PHE A 45 40.514 43.039 29.706 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.350 44.370 30.107 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.441 42.144 29.796 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.118 44.802 30.610 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.207 42.576 30.293 1.00 0.00 C ATOM 728 CZ PHE A 45 38.046 43.905 30.703 1.00 0.00 C ATOM 0 H PHE A 45 43.999 40.702 29.786 1.00 0.00 H new ATOM 0 HA PHE A 45 43.135 43.295 30.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.272 43.279 28.528 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.732 41.619 28.687 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.174 45.063 30.028 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.566 41.119 29.481 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.993 45.827 30.927 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.379 41.885 30.360 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.095 44.239 31.091 1.00 0.00 H new ATOM 738 N ALA A 46 41.908 42.055 32.594 1.00 0.00 N ATOM 739 CA ALA A 46 41.318 41.387 33.737 1.00 0.00 C ATOM 740 C ALA A 46 42.036 40.107 34.172 1.00 0.00 C ATOM 741 O ALA A 46 41.414 39.119 34.556 1.00 0.00 O ATOM 742 CB ALA A 46 39.817 41.235 33.509 1.00 0.00 C ATOM 0 H ALA A 46 42.040 43.055 32.747 1.00 0.00 H new ATOM 0 HA ALA A 46 41.462 42.022 34.611 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.368 40.733 34.366 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.366 42.220 33.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.644 40.643 32.610 1.00 0.00 H new ATOM 748 N GLY A 47 43.362 40.101 34.074 1.00 0.00 N ATOM 749 CA GLY A 47 44.223 38.974 34.374 1.00 0.00 C ATOM 750 C GLY A 47 44.361 37.925 33.268 1.00 0.00 C ATOM 751 O GLY A 47 45.223 37.058 33.394 1.00 0.00 O ATOM 0 H GLY A 47 43.884 40.922 33.769 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.216 39.354 34.614 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.845 38.482 35.270 1.00 0.00 H new ATOM 755 N LYS A 48 43.588 37.986 32.187 1.00 0.00 N ATOM 756 CA LYS A 48 43.656 37.086 31.053 1.00 0.00 C ATOM 757 C LYS A 48 44.527 37.672 29.939 1.00 0.00 C ATOM 758 O LYS A 48 44.417 38.859 29.641 1.00 0.00 O ATOM 759 CB LYS A 48 42.263 36.847 30.480 1.00 0.00 C ATOM 760 CG LYS A 48 41.258 36.199 31.427 1.00 0.00 C ATOM 761 CD LYS A 48 39.905 36.129 30.725 1.00 0.00 C ATOM 762 CE LYS A 48 38.863 35.347 31.519 1.00 0.00 C ATOM 763 NZ LYS A 48 37.577 35.350 30.807 1.00 0.00 N ATOM 0 H LYS A 48 42.866 38.699 32.079 1.00 0.00 H new ATOM 0 HA LYS A 48 44.088 36.150 31.408 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.858 37.803 30.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.358 36.218 29.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.591 35.200 31.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.178 36.778 32.347 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.538 37.141 30.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.033 35.665 29.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.202 34.322 31.668 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.741 35.789 32.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 36.875 34.815 31.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.249 36.330 30.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.696 34.908 29.873 1.00 0.00 H new ATOM 777 N GLN A 49 45.331 36.855 29.265 1.00 0.00 N ATOM 778 CA GLN A 49 45.998 37.270 28.048 1.00 0.00 C ATOM 779 C GLN A 49 45.047 37.244 26.848 1.00 0.00 C ATOM 780 O GLN A 49 44.238 36.328 26.717 1.00 0.00 O ATOM 781 CB GLN A 49 47.250 36.441 27.780 1.00 0.00 C ATOM 782 CG GLN A 49 48.304 36.664 28.861 1.00 0.00 C ATOM 783 CD GLN A 49 49.690 36.142 28.473 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.866 35.365 27.538 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.729 36.564 29.186 1.00 0.00 N ATOM 0 H GLN A 49 45.533 35.896 29.549 1.00 0.00 H new ATOM 0 HA GLN A 49 46.316 38.302 28.193 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.987 35.384 27.738 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.663 36.706 26.806 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.372 37.730 29.077 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.982 36.172 29.779 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.586 37.209 29.963 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.669 36.243 28.956 1.00 0.00 H new ATOM 794 N LEU A 50 45.158 38.232 25.964 1.00 0.00 N ATOM 795 CA LEU A 50 44.319 38.390 24.793 1.00 0.00 C ATOM 796 C LEU A 50 44.949 37.693 23.587 1.00 0.00 C ATOM 797 O LEU A 50 45.936 38.158 23.021 1.00 0.00 O ATOM 798 CB LEU A 50 44.055 39.870 24.534 1.00 0.00 C ATOM 799 CG LEU A 50 43.348 40.620 25.659 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.083 42.059 25.225 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.015 39.977 26.027 1.00 0.00 C ATOM 0 H LEU A 50 45.860 38.966 26.052 1.00 0.00 H new ATOM 0 HA LEU A 50 43.355 37.913 24.970 1.00 0.00 H new ATOM 0 HB2 LEU A 50 45.008 40.361 24.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.456 39.961 23.628 1.00 0.00 H new ATOM 0 HG LEU A 50 44.001 40.587 26.531 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.578 42.594 26.029 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.029 42.551 25.000 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.452 42.061 24.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.547 40.544 26.832 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.359 39.975 25.156 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.184 38.952 26.356 1.00 0.00 H new ATOM 813 N GLU A 51 44.372 36.560 23.195 1.00 0.00 N ATOM 814 CA GLU A 51 44.931 35.631 22.233 1.00 0.00 C ATOM 815 C GLU A 51 44.174 35.661 20.904 1.00 0.00 C ATOM 816 O GLU A 51 42.956 35.822 20.867 1.00 0.00 O ATOM 817 CB GLU A 51 44.973 34.225 22.826 1.00 0.00 C ATOM 818 CG GLU A 51 45.889 34.154 24.044 1.00 0.00 C ATOM 819 CD GLU A 51 45.962 32.732 24.605 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.171 32.408 25.517 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.832 31.948 24.167 1.00 0.00 O ATOM 0 H GLU A 51 43.467 36.258 23.556 1.00 0.00 H new ATOM 0 HA GLU A 51 45.952 35.943 22.013 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.966 33.919 23.110 1.00 0.00 H new ATOM 0 HB3 GLU A 51 45.319 33.521 22.069 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.889 34.490 23.769 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.525 34.833 24.815 1.00 0.00 H new ATOM 828 N ASP A 52 44.897 35.478 19.803 1.00 0.00 N ATOM 829 CA ASP A 52 44.365 35.541 18.456 1.00 0.00 C ATOM 830 C ASP A 52 43.271 34.499 18.216 1.00 0.00 C ATOM 831 O ASP A 52 43.354 33.380 18.719 1.00 0.00 O ATOM 832 CB ASP A 52 45.506 35.375 17.456 1.00 0.00 C ATOM 833 CG ASP A 52 46.673 36.335 17.697 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.461 37.537 17.966 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.838 35.883 17.698 1.00 0.00 O ATOM 0 H ASP A 52 45.897 35.276 19.830 1.00 0.00 H new ATOM 0 HA ASP A 52 43.898 36.516 18.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.873 34.350 17.503 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.121 35.530 16.448 1.00 0.00 H new ATOM 840 N GLY A 53 42.238 34.838 17.451 1.00 0.00 N ATOM 841 CA GLY A 53 41.127 33.963 17.132 1.00 0.00 C ATOM 842 C GLY A 53 39.812 34.254 17.858 1.00 0.00 C ATOM 843 O GLY A 53 38.813 33.595 17.577 1.00 0.00 O ATOM 0 H GLY A 53 42.153 35.761 17.025 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.945 34.016 16.059 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.423 32.938 17.355 1.00 0.00 H new ATOM 847 N ARG A 54 39.790 35.248 18.741 1.00 0.00 N ATOM 848 CA ARG A 54 38.635 35.760 19.450 1.00 0.00 C ATOM 849 C ARG A 54 38.361 37.236 19.157 1.00 0.00 C ATOM 850 O ARG A 54 39.136 37.881 18.453 1.00 0.00 O ATOM 851 CB ARG A 54 38.810 35.459 20.936 1.00 0.00 C ATOM 852 CG ARG A 54 38.178 34.123 21.316 1.00 0.00 C ATOM 853 CD ARG A 54 38.471 33.719 22.758 1.00 0.00 C ATOM 854 NE ARG A 54 39.830 33.196 22.888 1.00 0.00 N ATOM 855 CZ ARG A 54 40.387 32.616 23.959 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.774 32.515 25.147 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.622 32.101 23.871 1.00 0.00 N ATOM 0 H ARG A 54 40.642 35.748 18.993 1.00 0.00 H new ATOM 0 HA ARG A 54 37.739 35.253 19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.872 35.443 21.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.358 36.257 21.525 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.099 34.183 21.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.547 33.348 20.644 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.344 34.580 23.414 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.754 32.964 23.081 1.00 0.00 H new ATOM 0 HE ARG A 54 40.425 33.283 22.064 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.834 32.891 25.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.248 32.062 25.928 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.134 32.152 22.990 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.049 31.659 24.685 1.00 0.00 H new ATOM 871 N THR A 55 37.264 37.770 19.686 1.00 0.00 N ATOM 872 CA THR A 55 36.873 39.165 19.657 1.00 0.00 C ATOM 873 C THR A 55 36.825 39.790 21.053 1.00 0.00 C ATOM 874 O THR A 55 36.830 39.079 22.055 1.00 0.00 O ATOM 875 CB THR A 55 35.529 39.378 18.966 1.00 0.00 C ATOM 876 OG1 THR A 55 34.478 38.770 19.685 1.00 0.00 O ATOM 877 CG2 THR A 55 35.482 38.836 17.541 1.00 0.00 C ATOM 0 H THR A 55 36.581 37.194 20.179 1.00 0.00 H new ATOM 0 HA THR A 55 37.649 39.666 19.078 1.00 0.00 H new ATOM 0 HB THR A 55 35.406 40.461 18.933 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.739 37.860 19.940 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.497 39.023 17.113 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.241 39.334 16.937 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.675 37.763 17.553 1.00 0.00 H new ATOM 885 N LEU A 56 36.747 41.116 21.136 1.00 0.00 N ATOM 886 CA LEU A 56 36.665 41.838 22.390 1.00 0.00 C ATOM 887 C LEU A 56 35.513 41.378 23.287 1.00 0.00 C ATOM 888 O LEU A 56 35.678 41.243 24.497 1.00 0.00 O ATOM 889 CB LEU A 56 36.552 43.334 22.106 1.00 0.00 C ATOM 890 CG LEU A 56 37.753 43.987 21.427 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.471 45.472 21.222 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.042 43.875 22.237 1.00 0.00 C ATOM 0 H LEU A 56 36.739 41.723 20.316 1.00 0.00 H new ATOM 0 HA LEU A 56 37.580 41.623 22.943 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.675 43.498 21.480 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.371 43.849 23.050 1.00 0.00 H new ATOM 0 HG LEU A 56 37.896 43.458 20.485 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.327 45.941 20.737 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.588 45.591 20.594 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.296 45.946 22.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.855 44.360 21.696 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.908 44.361 23.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.285 42.824 22.391 1.00 0.00 H new ATOM 904 N SER A 57 34.358 41.074 22.702 1.00 0.00 N ATOM 905 CA SER A 57 33.209 40.530 23.398 1.00 0.00 C ATOM 906 C SER A 57 33.417 39.112 23.935 1.00 0.00 C ATOM 907 O SER A 57 32.828 38.779 24.961 1.00 0.00 O ATOM 908 CB SER A 57 31.968 40.560 22.511 1.00 0.00 C ATOM 909 OG SER A 57 32.220 39.981 21.250 1.00 0.00 O ATOM 0 H SER A 57 34.197 41.205 21.703 1.00 0.00 H new ATOM 0 HA SER A 57 33.069 41.177 24.264 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.155 40.025 23.002 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.638 41.591 22.380 1.00 0.00 H new ATOM 0 HG SER A 57 32.630 40.647 20.660 1.00 0.00 H new ATOM 915 N ASP A 58 34.278 38.297 23.334 1.00 0.00 N ATOM 916 CA ASP A 58 34.647 36.997 23.858 1.00 0.00 C ATOM 917 C ASP A 58 35.510 37.084 25.119 1.00 0.00 C ATOM 918 O ASP A 58 35.702 36.080 25.800 1.00 0.00 O ATOM 919 CB ASP A 58 35.344 36.159 22.791 1.00 0.00 C ATOM 920 CG ASP A 58 34.503 35.934 21.533 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.379 35.398 21.641 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.977 36.288 20.430 1.00 0.00 O ATOM 0 H ASP A 58 34.743 38.529 22.456 1.00 0.00 H new ATOM 0 HA ASP A 58 33.717 36.506 24.146 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.277 36.649 22.510 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.608 35.191 23.218 1.00 0.00 H new ATOM 927 N TYR A 59 36.009 38.273 25.449 1.00 0.00 N ATOM 928 CA TYR A 59 36.785 38.580 26.632 1.00 0.00 C ATOM 929 C TYR A 59 36.076 39.491 27.638 1.00 0.00 C ATOM 930 O TYR A 59 36.690 39.841 28.643 1.00 0.00 O ATOM 931 CB TYR A 59 38.141 39.133 26.206 1.00 0.00 C ATOM 932 CG TYR A 59 39.112 38.083 25.721 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.790 37.295 26.658 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.365 37.922 24.353 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.738 36.355 26.239 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.324 36.997 23.925 1.00 0.00 C ATOM 937 CZ TYR A 59 41.014 36.205 24.865 1.00 0.00 C ATOM 938 OH TYR A 59 41.961 35.318 24.449 1.00 0.00 O ATOM 0 H TYR A 59 35.870 39.092 24.857 1.00 0.00 H new ATOM 0 HA TYR A 59 36.922 37.649 27.181 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.989 39.866 25.413 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.586 39.662 27.049 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.580 37.413 27.711 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.821 38.511 23.629 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.256 35.747 26.966 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.536 36.890 22.871 1.00 0.00 H new ATOM 0 HH TYR A 59 41.875 35.177 23.483 1.00 0.00 H new ATOM 948 N ASN A 60 34.812 39.849 27.436 1.00 0.00 N ATOM 949 CA ASN A 60 34.081 40.767 28.287 1.00 0.00 C ATOM 950 C ASN A 60 34.758 42.132 28.424 1.00 0.00 C ATOM 951 O ASN A 60 34.817 42.707 29.508 1.00 0.00 O ATOM 952 CB ASN A 60 33.726 40.094 29.610 1.00 0.00 C ATOM 953 CG ASN A 60 32.657 40.829 30.422 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.002 41.768 29.975 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.409 40.410 31.659 1.00 0.00 N ATOM 0 H ASN A 60 34.258 39.497 26.655 1.00 0.00 H new ATOM 0 HA ASN A 60 33.137 41.008 27.799 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.379 39.081 29.407 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.629 40.007 30.214 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.687 40.866 32.217 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.941 39.632 32.050 1.00 0.00 H new ATOM 962 N ILE A 61 35.298 42.665 27.332 1.00 0.00 N ATOM 963 CA ILE A 61 35.886 43.990 27.295 1.00 0.00 C ATOM 964 C ILE A 61 34.779 45.026 27.096 1.00 0.00 C ATOM 965 O ILE A 61 34.037 44.983 26.116 1.00 0.00 O ATOM 966 CB ILE A 61 36.999 44.055 26.253 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.184 43.229 26.746 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.431 45.489 25.958 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.243 42.930 25.689 1.00 0.00 C ATOM 0 H ILE A 61 35.337 42.177 26.437 1.00 0.00 H new ATOM 0 HA ILE A 61 36.368 44.223 28.244 1.00 0.00 H new ATOM 0 HB ILE A 61 36.619 43.645 25.317 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.657 43.757 27.574 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.810 42.285 27.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.225 45.484 25.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.580 46.055 25.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.797 45.954 26.873 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.044 42.339 26.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.791 42.371 24.869 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.651 43.866 25.308 1.00 0.00 H new ATOM 981 N GLN A 62 34.677 45.952 28.046 1.00 0.00 N ATOM 982 CA GLN A 62 33.658 46.981 28.119 1.00 0.00 C ATOM 983 C GLN A 62 34.169 48.329 27.609 1.00 0.00 C ATOM 984 O GLN A 62 35.362 48.618 27.676 1.00 0.00 O ATOM 985 CB GLN A 62 33.182 47.038 29.567 1.00 0.00 C ATOM 986 CG GLN A 62 32.033 47.998 29.857 1.00 0.00 C ATOM 987 CD GLN A 62 31.521 47.850 31.291 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.381 47.459 31.535 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.323 48.189 32.296 1.00 0.00 N ATOM 0 H GLN A 62 35.338 46.003 28.821 1.00 0.00 H new ATOM 0 HA GLN A 62 32.820 46.739 27.465 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.876 46.036 29.868 1.00 0.00 H new ATOM 0 HB3 GLN A 62 34.028 47.315 30.196 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.365 49.023 29.693 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.218 47.811 29.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 33.271 48.515 32.105 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.991 48.123 33.258 1.00 0.00 H new ATOM 998 N LYS A 63 33.260 49.192 27.164 1.00 0.00 N ATOM 999 CA LYS A 63 33.452 50.611 26.941 1.00 0.00 C ATOM 1000 C LYS A 63 34.325 51.276 28.009 1.00 0.00 C ATOM 1001 O LYS A 63 34.109 51.056 29.198 1.00 0.00 O ATOM 1002 CB LYS A 63 32.054 51.222 26.915 1.00 0.00 C ATOM 1003 CG LYS A 63 32.007 52.736 26.722 1.00 0.00 C ATOM 1004 CD LYS A 63 30.610 53.220 26.345 1.00 0.00 C ATOM 1005 CE LYS A 63 29.502 52.821 27.314 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.537 53.582 28.573 1.00 0.00 N ATOM 0 H LYS A 63 32.311 48.894 26.937 1.00 0.00 H new ATOM 0 HA LYS A 63 33.988 50.773 26.006 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.485 50.752 26.113 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.550 50.976 27.850 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.326 53.229 27.640 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.713 53.025 25.943 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.628 54.307 26.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.363 52.833 25.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.535 52.970 26.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.587 51.757 27.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.761 53.267 29.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.447 53.421 29.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.428 54.596 28.369 1.00 0.00 H new ATOM 1020 N GLU A 64 35.307 52.070 27.593 1.00 0.00 N ATOM 1021 CA GLU A 64 36.266 52.780 28.414 1.00 0.00 C ATOM 1022 C GLU A 64 37.151 51.910 29.309 1.00 0.00 C ATOM 1023 O GLU A 64 37.745 52.406 30.264 1.00 0.00 O ATOM 1024 CB GLU A 64 35.614 53.958 29.133 1.00 0.00 C ATOM 1025 CG GLU A 64 35.076 55.025 28.185 1.00 0.00 C ATOM 1026 CD GLU A 64 34.390 56.154 28.957 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.150 56.127 29.113 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.071 57.097 29.415 1.00 0.00 O ATOM 0 H GLU A 64 35.459 52.243 26.599 1.00 0.00 H new ATOM 0 HA GLU A 64 36.996 53.190 27.715 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.797 53.588 29.753 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.343 54.413 29.804 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.893 55.432 27.590 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.368 54.574 27.489 1.00 0.00 H new ATOM 1035 N SER A 65 37.296 50.623 29.007 1.00 0.00 N ATOM 1036 CA SER A 65 38.268 49.760 29.646 1.00 0.00 C ATOM 1037 C SER A 65 39.714 50.102 29.285 1.00 0.00 C ATOM 1038 O SER A 65 39.988 50.635 28.212 1.00 0.00 O ATOM 1039 CB SER A 65 38.033 48.291 29.304 1.00 0.00 C ATOM 1040 OG SER A 65 36.790 47.853 29.806 1.00 0.00 O ATOM 0 H SER A 65 36.731 50.150 28.302 1.00 0.00 H new ATOM 0 HA SER A 65 38.125 49.929 30.713 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.062 48.155 28.223 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.834 47.683 29.723 1.00 0.00 H new ATOM 0 HG SER A 65 36.078 48.104 29.181 1.00 0.00 H new ATOM 1046 N THR A 66 40.641 49.719 30.159 1.00 0.00 N ATOM 1047 CA THR A 66 42.072 49.721 29.936 1.00 0.00 C ATOM 1048 C THR A 66 42.538 48.317 29.546 1.00 0.00 C ATOM 1049 O THR A 66 42.425 47.375 30.326 1.00 0.00 O ATOM 1050 CB THR A 66 42.820 50.203 31.176 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.606 51.584 31.365 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.336 50.046 31.083 1.00 0.00 C ATOM 0 H THR A 66 40.394 49.382 31.090 1.00 0.00 H new ATOM 0 HA THR A 66 42.293 50.411 29.122 1.00 0.00 H new ATOM 0 HB THR A 66 42.434 49.587 31.988 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.088 51.883 32.164 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.797 50.410 32.001 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.585 48.994 30.945 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.710 50.622 30.236 1.00 0.00 H new ATOM 1060 N LEU A 67 43.149 48.196 28.371 1.00 0.00 N ATOM 1061 CA LEU A 67 43.924 47.043 27.957 1.00 0.00 C ATOM 1062 C LEU A 67 45.395 47.313 28.278 1.00 0.00 C ATOM 1063 O LEU A 67 45.925 48.376 27.961 1.00 0.00 O ATOM 1064 CB LEU A 67 43.719 46.758 26.472 1.00 0.00 C ATOM 1065 CG LEU A 67 42.432 46.025 26.108 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.164 46.804 26.447 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.433 45.743 24.608 1.00 0.00 C ATOM 0 H LEU A 67 43.114 48.927 27.660 1.00 0.00 H new ATOM 0 HA LEU A 67 43.593 46.156 28.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.740 47.705 25.933 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.564 46.169 26.114 1.00 0.00 H new ATOM 0 HG LEU A 67 42.416 45.110 26.700 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.290 46.219 26.159 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.133 47.000 27.519 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.162 47.750 25.905 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.517 45.219 24.336 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.489 46.684 24.061 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.294 45.124 24.355 1.00 0.00 H new ATOM 1079 N HIS A 68 46.072 46.340 28.882 1.00 0.00 N ATOM 1080 CA HIS A 68 47.498 46.418 29.127 1.00 0.00 C ATOM 1081 C HIS A 68 48.245 45.882 27.903 1.00 0.00 C ATOM 1082 O HIS A 68 47.931 44.795 27.425 1.00 0.00 O ATOM 1083 CB HIS A 68 47.845 45.631 30.388 1.00 0.00 C ATOM 1084 CG HIS A 68 47.146 46.108 31.631 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.581 45.289 32.608 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.997 47.418 32.010 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.115 46.109 33.552 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.340 47.391 33.224 1.00 0.00 N ATOM 0 H HIS A 68 45.641 45.477 29.213 1.00 0.00 H new ATOM 0 HA HIS A 68 47.801 47.453 29.287 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.597 44.582 30.226 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.922 45.683 30.549 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.327 48.293 31.469 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.623 45.785 34.457 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.072 48.205 33.777 1.00 0.00 H new ATOM 1096 N LEU A 69 49.228 46.637 27.419 1.00 0.00 N ATOM 1097 CA LEU A 69 50.148 46.236 26.373 1.00 0.00 C ATOM 1098 C LEU A 69 51.543 46.052 26.974 1.00 0.00 C ATOM 1099 O LEU A 69 51.994 46.886 27.755 1.00 0.00 O ATOM 1100 CB LEU A 69 50.098 47.283 25.264 1.00 0.00 C ATOM 1101 CG LEU A 69 51.118 47.146 24.138 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.956 45.865 23.324 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.966 48.319 23.174 1.00 0.00 C ATOM 0 H LEU A 69 49.407 47.581 27.762 1.00 0.00 H new ATOM 0 HA LEU A 69 49.870 45.278 25.932 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.101 47.263 24.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.225 48.265 25.719 1.00 0.00 H new ATOM 0 HG LEU A 69 52.097 47.124 24.616 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.714 45.833 22.541 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.074 45.001 23.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.965 45.845 22.871 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.694 48.224 22.368 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.959 48.318 22.756 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.136 49.254 23.708 1.00 0.00 H new ATOM 1115 N VAL A 70 52.216 44.966 26.601 1.00 0.00 N ATOM 1116 CA VAL A 70 53.588 44.654 26.946 1.00 0.00 C ATOM 1117 C VAL A 70 54.361 44.198 25.706 1.00 0.00 C ATOM 1118 O VAL A 70 53.777 43.891 24.670 1.00 0.00 O ATOM 1119 CB VAL A 70 53.689 43.641 28.083 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.862 44.029 29.306 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.272 42.227 27.687 1.00 0.00 C ATOM 0 H VAL A 70 51.790 44.245 26.019 1.00 0.00 H new ATOM 0 HA VAL A 70 54.049 45.569 27.318 1.00 0.00 H new ATOM 0 HB VAL A 70 54.751 43.651 28.328 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.976 43.269 30.079 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.207 44.990 29.689 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.812 44.106 29.025 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.371 41.564 28.547 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.235 42.234 27.351 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.912 41.872 26.880 1.00 0.00 H new