USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.336 K(o=1,f=-1.1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.704 K(o=1,f=-1.1) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0116) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.3 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc=0.000459 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 74:sc= 1.28 USER MOD Single : A 25 ASN : amide:sc= 1.01 K(o=1,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.545) USER MOD Single : A 31 GLN : amide:sc= -0.513 K(o=-0.51,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.18) USER MOD Single : A 40 GLN : amide:sc=-0.00731 K(o=-0.0073,f=-0.76) USER MOD Single : A 41 GLN : amide:sc= 0.801 K(o=0.8,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.727 K(o=0.73,f=-6.7!) USER MOD Single : A 55 THR OG1 : rot -47:sc= 1.27 USER MOD Single : A 57 SER OG : rot 63:sc= 1.01 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.55 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.955 (180deg=0.927) USER MOD Single : A 65 SER OG : rot -115:sc= 0.48 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00088 X(o=-0.00088,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.073 51.541 19.772 1.00 0.00 N ATOM 2 CA MET A 1 33.263 51.921 21.179 1.00 0.00 C ATOM 3 C MET A 1 34.725 52.309 21.410 1.00 0.00 C ATOM 4 O MET A 1 35.601 51.815 20.704 1.00 0.00 O ATOM 5 CB MET A 1 32.815 50.825 22.142 1.00 0.00 C ATOM 6 CG MET A 1 33.610 49.528 22.022 1.00 0.00 C ATOM 7 SD MET A 1 33.160 48.282 23.255 1.00 0.00 S ATOM 8 CE MET A 1 34.325 46.973 22.800 1.00 0.00 C ATOM 0 H1 MET A 1 32.058 51.425 19.578 1.00 0.00 H new ATOM 0 H2 MET A 1 33.461 52.284 19.156 1.00 0.00 H new ATOM 0 H3 MET A 1 33.566 50.644 19.585 1.00 0.00 H new ATOM 0 HA MET A 1 32.629 52.782 21.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.899 51.197 23.163 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.761 50.610 21.966 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.460 49.111 21.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.672 49.753 22.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.052 46.049 23.311 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.292 46.815 21.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.333 47.265 23.093 1.00 0.00 H new ATOM 20 N GLN A 2 34.993 53.158 22.398 1.00 0.00 N ATOM 21 CA GLN A 2 36.332 53.603 22.730 1.00 0.00 C ATOM 22 C GLN A 2 36.937 52.770 23.861 1.00 0.00 C ATOM 23 O GLN A 2 36.375 52.711 24.952 1.00 0.00 O ATOM 24 CB GLN A 2 36.311 55.091 23.070 1.00 0.00 C ATOM 25 CG GLN A 2 35.970 55.955 21.859 1.00 0.00 C ATOM 26 CD GLN A 2 36.003 57.454 22.161 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.891 57.911 23.296 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.133 58.286 21.131 1.00 0.00 N ATOM 0 H GLN A 2 34.271 53.559 22.996 1.00 0.00 H new ATOM 0 HA GLN A 2 36.974 53.457 21.861 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.581 55.271 23.860 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.284 55.386 23.462 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.673 55.737 21.055 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.978 55.686 21.496 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.227 57.916 20.185 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.139 59.294 21.287 1.00 0.00 H new ATOM 37 N ILE A 3 38.114 52.189 23.640 1.00 0.00 N ATOM 38 CA ILE A 3 38.899 51.510 24.652 1.00 0.00 C ATOM 39 C ILE A 3 40.243 52.211 24.868 1.00 0.00 C ATOM 40 O ILE A 3 40.681 52.983 24.019 1.00 0.00 O ATOM 41 CB ILE A 3 39.065 50.023 24.353 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.879 49.751 23.091 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.703 49.337 24.317 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.321 48.298 22.940 1.00 0.00 C ATOM 0 H ILE A 3 38.556 52.181 22.721 1.00 0.00 H new ATOM 0 HA ILE A 3 38.345 51.570 25.589 1.00 0.00 H new ATOM 0 HB ILE A 3 39.648 49.592 25.167 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.286 50.032 22.221 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.762 50.390 23.095 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.835 48.276 24.103 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.211 49.454 25.283 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.088 49.790 23.540 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.894 48.186 22.019 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.942 48.016 23.790 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.443 47.653 22.902 1.00 0.00 H new ATOM 56 N PHE A 4 40.908 51.917 25.980 1.00 0.00 N ATOM 57 CA PHE A 4 42.233 52.426 26.277 1.00 0.00 C ATOM 58 C PHE A 4 43.270 51.303 26.336 1.00 0.00 C ATOM 59 O PHE A 4 42.968 50.204 26.798 1.00 0.00 O ATOM 60 CB PHE A 4 42.224 53.212 27.584 1.00 0.00 C ATOM 61 CG PHE A 4 41.190 54.309 27.678 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.173 55.353 26.746 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.247 54.289 28.714 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.217 56.371 26.843 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.302 55.315 28.825 1.00 0.00 C ATOM 66 CZ PHE A 4 39.285 56.355 27.887 1.00 0.00 C ATOM 0 H PHE A 4 40.532 51.309 26.708 1.00 0.00 H new ATOM 0 HA PHE A 4 42.517 53.096 25.465 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.063 52.514 28.406 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.210 53.653 27.729 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.901 55.373 25.948 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.249 53.479 29.429 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.199 57.167 26.114 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.586 55.305 29.634 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.553 57.145 27.969 1.00 0.00 H new ATOM 76 N VAL A 5 44.502 51.580 25.918 1.00 0.00 N ATOM 77 CA VAL A 5 45.625 50.668 25.992 1.00 0.00 C ATOM 78 C VAL A 5 46.835 51.368 26.613 1.00 0.00 C ATOM 79 O VAL A 5 47.208 52.442 26.145 1.00 0.00 O ATOM 80 CB VAL A 5 45.970 50.093 24.621 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.037 49.009 24.746 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.767 49.478 23.912 1.00 0.00 C ATOM 0 H VAL A 5 44.748 52.479 25.505 1.00 0.00 H new ATOM 0 HA VAL A 5 45.340 49.832 26.631 1.00 0.00 H new ATOM 0 HB VAL A 5 46.331 50.936 24.031 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.269 48.611 23.758 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.938 49.435 25.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.666 48.205 25.382 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.077 49.087 22.943 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.363 48.667 24.518 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.001 50.240 23.768 1.00 0.00 H new ATOM 92 N LYS A 6 47.463 50.783 27.629 1.00 0.00 N ATOM 93 CA LYS A 6 48.598 51.333 28.340 1.00 0.00 C ATOM 94 C LYS A 6 49.820 50.412 28.376 1.00 0.00 C ATOM 95 O LYS A 6 49.660 49.200 28.489 1.00 0.00 O ATOM 96 CB LYS A 6 48.171 51.805 29.727 1.00 0.00 C ATOM 97 CG LYS A 6 47.642 50.720 30.661 1.00 0.00 C ATOM 98 CD LYS A 6 47.011 51.301 31.922 1.00 0.00 C ATOM 99 CE LYS A 6 47.987 52.056 32.822 1.00 0.00 C ATOM 100 NZ LYS A 6 48.794 51.145 33.649 1.00 0.00 N ATOM 0 H LYS A 6 47.177 49.873 27.990 1.00 0.00 H new ATOM 0 HA LYS A 6 48.940 52.198 27.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 49.024 52.286 30.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.400 52.566 29.610 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.904 50.117 30.133 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.458 50.053 30.939 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.205 51.976 31.633 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.559 50.491 32.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.647 52.668 32.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.432 52.736 33.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.442 51.699 34.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.167 50.579 34.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.344 50.513 33.033 1.00 0.00 H new ATOM 168 N LYS A 11 53.180 54.930 27.973 1.00 0.00 N ATOM 169 CA LYS A 11 52.406 55.447 26.863 1.00 0.00 C ATOM 170 C LYS A 11 50.963 54.949 26.955 1.00 0.00 C ATOM 171 O LYS A 11 50.755 53.758 27.171 1.00 0.00 O ATOM 172 CB LYS A 11 53.078 55.071 25.545 1.00 0.00 C ATOM 173 CG LYS A 11 52.356 55.665 24.339 1.00 0.00 C ATOM 174 CD LYS A 11 53.025 55.312 23.012 1.00 0.00 C ATOM 175 CE LYS A 11 54.329 56.070 22.788 1.00 0.00 C ATOM 176 NZ LYS A 11 54.894 55.759 21.467 1.00 0.00 N ATOM 0 HA LYS A 11 52.370 56.536 26.906 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.111 55.418 25.554 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.107 53.985 25.451 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.326 55.309 24.327 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.317 56.749 24.443 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.223 54.241 22.984 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.338 55.530 22.194 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.150 57.142 22.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.046 55.807 23.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.602 56.478 21.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.346 54.823 21.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.134 55.756 20.757 1.00 0.00 H new ATOM 190 N THR A 12 49.987 55.826 26.736 1.00 0.00 N ATOM 191 CA THR A 12 48.578 55.495 26.671 1.00 0.00 C ATOM 192 C THR A 12 48.008 55.808 25.287 1.00 0.00 C ATOM 193 O THR A 12 48.396 56.786 24.652 1.00 0.00 O ATOM 194 CB THR A 12 47.792 56.156 27.800 1.00 0.00 C ATOM 195 OG1 THR A 12 48.303 55.733 29.044 1.00 0.00 O ATOM 196 CG2 THR A 12 46.319 55.757 27.807 1.00 0.00 C ATOM 0 H THR A 12 50.168 56.820 26.595 1.00 0.00 H new ATOM 0 HA THR A 12 48.473 54.420 26.820 1.00 0.00 H new ATOM 0 HB THR A 12 47.887 57.230 27.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.798 56.160 29.767 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.810 56.257 28.631 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.858 56.051 26.864 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.235 54.677 27.931 1.00 0.00 H new ATOM 204 N ILE A 13 47.114 54.959 24.787 1.00 0.00 N ATOM 205 CA ILE A 13 46.536 54.991 23.459 1.00 0.00 C ATOM 206 C ILE A 13 45.019 54.839 23.581 1.00 0.00 C ATOM 207 O ILE A 13 44.549 54.008 24.353 1.00 0.00 O ATOM 208 CB ILE A 13 47.118 53.873 22.597 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.643 53.866 22.536 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.571 53.934 21.173 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.224 52.565 21.989 1.00 0.00 C ATOM 0 H ILE A 13 46.755 54.181 25.341 1.00 0.00 H new ATOM 0 HA ILE A 13 46.772 55.941 22.978 1.00 0.00 H new ATOM 0 HB ILE A 13 46.806 52.951 23.087 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.978 54.695 21.912 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.040 54.040 23.536 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.003 53.126 20.582 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.486 53.828 21.195 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.833 54.892 20.723 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.312 52.630 21.974 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.919 51.734 22.626 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.856 52.400 20.976 1.00 0.00 H new ATOM 223 N THR A 14 44.255 55.589 22.792 1.00 0.00 N ATOM 224 CA THR A 14 42.815 55.467 22.681 1.00 0.00 C ATOM 225 C THR A 14 42.456 54.833 21.335 1.00 0.00 C ATOM 226 O THR A 14 42.944 55.296 20.306 1.00 0.00 O ATOM 227 CB THR A 14 42.141 56.828 22.834 1.00 0.00 C ATOM 228 OG1 THR A 14 42.554 57.470 24.018 1.00 0.00 O ATOM 229 CG2 THR A 14 40.621 56.717 22.908 1.00 0.00 C ATOM 0 H THR A 14 44.640 56.321 22.195 1.00 0.00 H new ATOM 0 HA THR A 14 42.452 54.825 23.484 1.00 0.00 H new ATOM 0 HB THR A 14 42.434 57.397 21.952 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.239 56.960 24.793 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.188 57.712 23.017 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.245 56.255 21.995 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.342 56.105 23.766 1.00 0.00 H new ATOM 237 N LEU A 15 41.635 53.787 21.314 1.00 0.00 N ATOM 238 CA LEU A 15 41.277 53.055 20.116 1.00 0.00 C ATOM 239 C LEU A 15 39.762 52.987 19.909 1.00 0.00 C ATOM 240 O LEU A 15 39.017 52.867 20.879 1.00 0.00 O ATOM 241 CB LEU A 15 41.851 51.642 20.158 1.00 0.00 C ATOM 242 CG LEU A 15 43.365 51.528 20.320 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.749 50.056 20.438 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.141 52.123 19.148 1.00 0.00 C ATOM 0 H LEU A 15 41.191 53.420 22.156 1.00 0.00 H new ATOM 0 HA LEU A 15 41.706 53.599 19.275 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.378 51.106 20.981 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.566 51.130 19.239 1.00 0.00 H new ATOM 0 HG LEU A 15 43.625 52.091 21.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.829 49.970 20.554 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.255 49.620 21.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.437 49.525 19.538 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.211 52.010 19.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.868 51.603 18.230 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.899 53.181 19.051 1.00 0.00 H new ATOM 256 N GLU A 16 39.325 52.999 18.653 1.00 0.00 N ATOM 257 CA GLU A 16 37.947 52.830 18.238 1.00 0.00 C ATOM 258 C GLU A 16 37.748 51.427 17.663 1.00 0.00 C ATOM 259 O GLU A 16 38.354 51.060 16.659 1.00 0.00 O ATOM 260 CB GLU A 16 37.586 53.935 17.249 1.00 0.00 C ATOM 261 CG GLU A 16 36.231 53.817 16.556 1.00 0.00 C ATOM 262 CD GLU A 16 35.037 53.950 17.503 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.774 55.065 18.003 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.312 52.957 17.727 1.00 0.00 O ATOM 0 H GLU A 16 39.957 53.134 17.864 1.00 0.00 H new ATOM 0 HA GLU A 16 37.272 52.919 19.090 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.617 54.888 17.777 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.359 53.971 16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.159 54.586 15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.175 52.853 16.050 1.00 0.00 H new ATOM 271 N VAL A 17 36.925 50.624 18.332 1.00 0.00 N ATOM 272 CA VAL A 17 36.771 49.202 18.100 1.00 0.00 C ATOM 273 C VAL A 17 35.306 48.768 18.148 1.00 0.00 C ATOM 274 O VAL A 17 34.504 49.370 18.860 1.00 0.00 O ATOM 275 CB VAL A 17 37.574 48.391 19.114 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.076 48.612 18.966 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.186 48.693 20.559 1.00 0.00 C ATOM 0 H VAL A 17 36.324 50.967 19.081 1.00 0.00 H new ATOM 0 HA VAL A 17 37.153 49.007 17.098 1.00 0.00 H new ATOM 0 HB VAL A 17 37.331 47.352 18.893 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.606 48.015 19.708 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.391 48.312 17.966 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.305 49.667 19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.791 48.086 21.233 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.358 49.749 20.769 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.132 48.460 20.709 1.00 0.00 H new ATOM 287 N GLU A 18 34.949 47.698 17.443 1.00 0.00 N ATOM 288 CA GLU A 18 33.660 47.045 17.548 1.00 0.00 C ATOM 289 C GLU A 18 33.713 45.894 18.554 1.00 0.00 C ATOM 290 O GLU A 18 34.725 45.199 18.601 1.00 0.00 O ATOM 291 CB GLU A 18 33.203 46.537 16.184 1.00 0.00 C ATOM 292 CG GLU A 18 33.039 47.614 15.115 1.00 0.00 C ATOM 293 CD GLU A 18 31.821 48.506 15.360 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.725 48.175 14.858 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.931 49.529 16.071 1.00 0.00 O ATOM 0 H GLU A 18 35.570 47.254 16.766 1.00 0.00 H new ATOM 0 HA GLU A 18 32.938 47.779 17.905 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.923 45.800 15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.251 46.020 16.306 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.937 48.231 15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.947 47.140 14.138 1.00 0.00 H new ATOM 302 N PRO A 19 32.664 45.609 19.321 1.00 0.00 N ATOM 303 CA PRO A 19 32.620 44.474 20.220 1.00 0.00 C ATOM 304 C PRO A 19 32.890 43.114 19.571 1.00 0.00 C ATOM 305 O PRO A 19 33.400 42.211 20.228 1.00 0.00 O ATOM 306 CB PRO A 19 31.235 44.499 20.861 1.00 0.00 C ATOM 307 CG PRO A 19 30.869 45.980 20.832 1.00 0.00 C ATOM 308 CD PRO A 19 31.506 46.454 19.530 1.00 0.00 C ATOM 0 HA PRO A 19 33.430 44.576 20.942 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.520 43.896 20.301 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.254 44.108 21.878 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.790 46.131 20.834 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.267 46.513 21.696 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.806 46.368 18.699 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.795 47.503 19.596 1.00 0.00 H new ATOM 316 N SER A 20 32.572 42.964 18.287 1.00 0.00 N ATOM 317 CA SER A 20 32.883 41.796 17.489 1.00 0.00 C ATOM 318 C SER A 20 34.357 41.638 17.114 1.00 0.00 C ATOM 319 O SER A 20 34.730 40.586 16.599 1.00 0.00 O ATOM 320 CB SER A 20 32.088 41.841 16.188 1.00 0.00 C ATOM 321 OG SER A 20 30.699 41.758 16.419 1.00 0.00 O ATOM 0 H SER A 20 32.073 43.682 17.762 1.00 0.00 H new ATOM 0 HA SER A 20 32.619 40.949 18.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.313 42.765 15.656 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.399 41.019 15.544 1.00 0.00 H new ATOM 0 HG SER A 20 30.222 41.792 15.563 1.00 0.00 H new ATOM 327 N ASP A 21 35.200 42.652 17.290 1.00 0.00 N ATOM 328 CA ASP A 21 36.513 42.677 16.679 1.00 0.00 C ATOM 329 C ASP A 21 37.542 41.801 17.395 1.00 0.00 C ATOM 330 O ASP A 21 37.508 41.631 18.612 1.00 0.00 O ATOM 331 CB ASP A 21 37.009 44.107 16.474 1.00 0.00 C ATOM 332 CG ASP A 21 38.001 44.235 15.316 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.583 45.325 15.127 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.098 43.307 14.484 1.00 0.00 O ATOM 0 H ASP A 21 34.988 43.472 17.858 1.00 0.00 H new ATOM 0 HA ASP A 21 36.394 42.226 15.694 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.155 44.759 16.288 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.483 44.457 17.391 1.00 0.00 H new ATOM 339 N THR A 22 38.477 41.250 16.627 1.00 0.00 N ATOM 340 CA THR A 22 39.425 40.237 17.046 1.00 0.00 C ATOM 341 C THR A 22 40.787 40.815 17.436 1.00 0.00 C ATOM 342 O THR A 22 41.068 41.988 17.197 1.00 0.00 O ATOM 343 CB THR A 22 39.539 39.154 15.977 1.00 0.00 C ATOM 344 OG1 THR A 22 39.769 39.716 14.705 1.00 0.00 O ATOM 345 CG2 THR A 22 38.268 38.319 15.854 1.00 0.00 C ATOM 0 H THR A 22 38.595 41.514 15.649 1.00 0.00 H new ATOM 0 HA THR A 22 39.039 39.781 17.958 1.00 0.00 H new ATOM 0 HB THR A 22 40.372 38.526 16.293 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.691 40.043 14.654 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.402 37.564 15.080 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.060 37.830 16.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.432 38.966 15.588 1.00 0.00 H new ATOM 353 N ILE A 23 41.618 40.046 18.134 1.00 0.00 N ATOM 354 CA ILE A 23 42.776 40.564 18.835 1.00 0.00 C ATOM 355 C ILE A 23 43.866 41.060 17.885 1.00 0.00 C ATOM 356 O ILE A 23 44.448 42.120 18.106 1.00 0.00 O ATOM 357 CB ILE A 23 43.336 39.539 19.817 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.299 38.773 20.632 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.351 40.182 20.758 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.241 39.594 21.365 1.00 0.00 C ATOM 0 H ILE A 23 41.500 39.037 18.226 1.00 0.00 H new ATOM 0 HA ILE A 23 42.431 41.429 19.402 1.00 0.00 H new ATOM 0 HB ILE A 23 43.816 38.797 19.179 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.786 38.082 19.962 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.828 38.169 21.369 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.735 39.430 21.448 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.175 40.596 20.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.869 40.980 21.323 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.570 38.925 21.903 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.727 40.266 22.072 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.670 40.178 20.644 1.00 0.00 H new ATOM 372 N GLU A 24 44.109 40.356 16.783 1.00 0.00 N ATOM 373 CA GLU A 24 45.052 40.766 15.762 1.00 0.00 C ATOM 374 C GLU A 24 44.666 42.096 15.114 1.00 0.00 C ATOM 375 O GLU A 24 45.535 42.927 14.856 1.00 0.00 O ATOM 376 CB GLU A 24 45.294 39.659 14.741 1.00 0.00 C ATOM 377 CG GLU A 24 44.471 39.643 13.455 1.00 0.00 C ATOM 378 CD GLU A 24 43.013 39.211 13.624 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.359 39.580 14.622 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.511 38.450 12.769 1.00 0.00 O ATOM 0 H GLU A 24 43.646 39.471 16.577 1.00 0.00 H new ATOM 0 HA GLU A 24 46.005 40.944 16.260 1.00 0.00 H new ATOM 0 HB2 GLU A 24 46.346 39.697 14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.134 38.706 15.245 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.490 40.641 13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.952 38.973 12.742 1.00 0.00 H new ATOM 387 N ASN A 25 43.375 42.348 14.922 1.00 0.00 N ATOM 388 CA ASN A 25 42.872 43.616 14.431 1.00 0.00 C ATOM 389 C ASN A 25 43.093 44.766 15.415 1.00 0.00 C ATOM 390 O ASN A 25 43.335 45.891 14.986 1.00 0.00 O ATOM 391 CB ASN A 25 41.396 43.477 14.071 1.00 0.00 C ATOM 392 CG ASN A 25 41.129 42.863 12.695 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.993 42.739 11.830 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.869 42.534 12.423 1.00 0.00 N ATOM 0 H ASN A 25 42.642 41.663 15.107 1.00 0.00 H new ATOM 0 HA ASN A 25 43.442 43.872 13.538 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.907 42.864 14.828 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.932 44.462 14.110 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.622 42.180 11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.149 42.636 13.139 1.00 0.00 H new ATOM 401 N VAL A 26 43.085 44.517 16.722 1.00 0.00 N ATOM 402 CA VAL A 26 43.410 45.533 17.702 1.00 0.00 C ATOM 403 C VAL A 26 44.920 45.773 17.771 1.00 0.00 C ATOM 404 O VAL A 26 45.352 46.923 17.786 1.00 0.00 O ATOM 405 CB VAL A 26 42.778 45.228 19.057 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.170 46.234 20.136 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.260 45.293 18.923 1.00 0.00 C ATOM 0 H VAL A 26 42.854 43.608 17.123 1.00 0.00 H new ATOM 0 HA VAL A 26 42.969 46.476 17.377 1.00 0.00 H new ATOM 0 HB VAL A 26 43.133 44.240 19.352 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.690 45.964 21.077 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.252 46.225 20.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.848 47.232 19.837 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.800 45.076 19.887 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.966 46.291 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.928 44.559 18.189 1.00 0.00 H new ATOM 417 N LYS A 27 45.739 44.729 17.665 1.00 0.00 N ATOM 418 CA LYS A 27 47.171 44.856 17.491 1.00 0.00 C ATOM 419 C LYS A 27 47.536 45.634 16.225 1.00 0.00 C ATOM 420 O LYS A 27 48.463 46.440 16.241 1.00 0.00 O ATOM 421 CB LYS A 27 47.817 43.473 17.516 1.00 0.00 C ATOM 422 CG LYS A 27 47.725 42.785 18.875 1.00 0.00 C ATOM 423 CD LYS A 27 48.162 41.324 18.801 1.00 0.00 C ATOM 424 CE LYS A 27 48.267 40.696 20.187 1.00 0.00 C ATOM 425 NZ LYS A 27 48.504 39.247 20.106 1.00 0.00 N ATOM 0 H LYS A 27 45.416 43.762 17.699 1.00 0.00 H new ATOM 0 HA LYS A 27 47.565 45.440 18.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.339 42.843 16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.866 43.565 17.234 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.349 43.315 19.594 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.700 42.840 19.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.449 40.761 18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.126 41.258 18.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.079 41.168 20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.349 40.885 20.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.503 38.841 21.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.752 38.803 19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.425 39.070 19.656 1.00 0.00 H new ATOM 439 N ALA A 28 46.765 45.479 15.153 1.00 0.00 N ATOM 440 CA ALA A 28 46.902 46.226 13.919 1.00 0.00 C ATOM 441 C ALA A 28 46.443 47.683 14.025 1.00 0.00 C ATOM 442 O ALA A 28 47.046 48.552 13.399 1.00 0.00 O ATOM 443 CB ALA A 28 46.141 45.493 12.818 1.00 0.00 C ATOM 0 H ALA A 28 46.001 44.803 15.125 1.00 0.00 H new ATOM 0 HA ALA A 28 47.965 46.279 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.235 46.044 11.882 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.555 44.493 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.088 45.418 13.091 1.00 0.00 H new ATOM 449 N LYS A 29 45.440 47.986 14.844 1.00 0.00 N ATOM 450 CA LYS A 29 45.041 49.341 15.173 1.00 0.00 C ATOM 451 C LYS A 29 46.105 50.062 16.002 1.00 0.00 C ATOM 452 O LYS A 29 46.274 51.270 15.843 1.00 0.00 O ATOM 453 CB LYS A 29 43.703 49.340 15.906 1.00 0.00 C ATOM 454 CG LYS A 29 42.499 49.113 14.997 1.00 0.00 C ATOM 455 CD LYS A 29 41.228 48.902 15.814 1.00 0.00 C ATOM 456 CE LYS A 29 39.979 48.832 14.938 1.00 0.00 C ATOM 457 NZ LYS A 29 39.905 47.600 14.138 1.00 0.00 N ATOM 0 H LYS A 29 44.872 47.276 15.306 1.00 0.00 H new ATOM 0 HA LYS A 29 44.931 49.887 14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.720 48.564 16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.582 50.293 16.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.372 49.970 14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.676 48.244 14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.318 47.980 16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.121 49.716 16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.094 48.901 15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.962 49.693 14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.439 47.803 13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.866 47.243 13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.358 46.882 14.655 1.00 0.00 H new ATOM 471 N ILE A 30 46.845 49.347 16.845 1.00 0.00 N ATOM 472 CA ILE A 30 47.992 49.856 17.569 1.00 0.00 C ATOM 473 C ILE A 30 49.149 50.139 16.609 1.00 0.00 C ATOM 474 O ILE A 30 49.733 51.218 16.675 1.00 0.00 O ATOM 475 CB ILE A 30 48.368 48.920 18.715 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.278 48.938 19.781 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.719 49.276 19.326 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.357 47.784 20.777 1.00 0.00 C ATOM 0 H ILE A 30 46.651 48.366 17.045 1.00 0.00 H new ATOM 0 HA ILE A 30 47.734 50.810 18.030 1.00 0.00 H new ATOM 0 HB ILE A 30 48.456 47.914 18.306 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.336 49.879 20.328 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.305 48.913 19.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.945 48.584 20.137 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.494 49.206 18.562 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.685 50.293 19.716 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.546 47.872 21.501 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.267 46.837 20.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.314 47.818 21.298 1.00 0.00 H new ATOM 490 N GLN A 31 49.453 49.233 15.684 1.00 0.00 N ATOM 491 CA GLN A 31 50.456 49.437 14.657 1.00 0.00 C ATOM 492 C GLN A 31 50.173 50.681 13.812 1.00 0.00 C ATOM 493 O GLN A 31 51.086 51.461 13.546 1.00 0.00 O ATOM 494 CB GLN A 31 50.541 48.178 13.799 1.00 0.00 C ATOM 495 CG GLN A 31 51.755 48.154 12.875 1.00 0.00 C ATOM 496 CD GLN A 31 51.861 46.856 12.072 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.882 46.156 11.821 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.057 46.461 11.648 1.00 0.00 N ATOM 0 H GLN A 31 48.998 48.322 15.631 1.00 0.00 H new ATOM 0 HA GLN A 31 51.420 49.616 15.134 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.573 47.305 14.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.635 48.095 13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.700 48.998 12.188 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.660 48.284 13.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.881 47.028 11.846 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.151 45.591 11.124 1.00 0.00 H new ATOM 507 N ASP A 32 48.912 50.933 13.473 1.00 0.00 N ATOM 508 CA ASP A 32 48.479 52.094 12.722 1.00 0.00 C ATOM 509 C ASP A 32 48.690 53.428 13.442 1.00 0.00 C ATOM 510 O ASP A 32 48.735 54.464 12.784 1.00 0.00 O ATOM 511 CB ASP A 32 47.021 51.891 12.318 1.00 0.00 C ATOM 512 CG ASP A 32 46.555 52.799 11.180 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.307 52.972 10.196 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.409 53.298 11.231 1.00 0.00 O ATOM 0 H ASP A 32 48.143 50.311 13.724 1.00 0.00 H new ATOM 0 HA ASP A 32 49.112 52.171 11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.879 50.852 12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.387 52.063 13.188 1.00 0.00 H new ATOM 519 N LYS A 33 48.884 53.441 14.758 1.00 0.00 N ATOM 520 CA LYS A 33 49.241 54.617 15.528 1.00 0.00 C ATOM 521 C LYS A 33 50.716 54.669 15.929 1.00 0.00 C ATOM 522 O LYS A 33 51.397 55.653 15.649 1.00 0.00 O ATOM 523 CB LYS A 33 48.327 54.794 16.737 1.00 0.00 C ATOM 524 CG LYS A 33 46.869 55.006 16.339 1.00 0.00 C ATOM 525 CD LYS A 33 46.046 55.645 17.454 1.00 0.00 C ATOM 526 CE LYS A 33 44.604 55.807 16.984 1.00 0.00 C ATOM 527 NZ LYS A 33 43.766 56.489 17.982 1.00 0.00 N ATOM 0 H LYS A 33 48.793 52.603 15.332 1.00 0.00 H new ATOM 0 HA LYS A 33 49.088 55.463 14.858 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.402 53.915 17.377 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.668 55.646 17.325 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.826 55.638 15.452 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.426 54.047 16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.082 55.025 18.350 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.465 56.615 17.721 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.589 56.373 16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.182 54.826 16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.835 56.698 17.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.647 55.875 18.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.223 57.377 18.271 1.00 0.00 H new ATOM 541 N GLU A 34 51.231 53.628 16.579 1.00 0.00 N ATOM 542 CA GLU A 34 52.525 53.642 17.230 1.00 0.00 C ATOM 543 C GLU A 34 53.597 52.822 16.510 1.00 0.00 C ATOM 544 O GLU A 34 54.739 52.782 16.963 1.00 0.00 O ATOM 545 CB GLU A 34 52.378 53.210 18.685 1.00 0.00 C ATOM 546 CG GLU A 34 51.378 54.027 19.500 1.00 0.00 C ATOM 547 CD GLU A 34 51.638 55.534 19.475 1.00 0.00 C ATOM 548 OE1 GLU A 34 50.686 56.324 19.292 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.797 55.961 19.671 1.00 0.00 O ATOM 0 H GLU A 34 50.745 52.736 16.666 1.00 0.00 H new ATOM 0 HA GLU A 34 52.883 54.671 17.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.075 52.163 18.709 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.354 53.271 19.167 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.374 53.836 19.121 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.400 53.682 20.534 1.00 0.00 H new ATOM 556 N GLY A 35 53.278 52.156 15.405 1.00 0.00 N ATOM 557 CA GLY A 35 54.247 51.466 14.578 1.00 0.00 C ATOM 558 C GLY A 35 54.820 50.173 15.161 1.00 0.00 C ATOM 559 O GLY A 35 55.752 49.617 14.582 1.00 0.00 O ATOM 0 H GLY A 35 52.322 52.083 15.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.780 51.235 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.073 52.147 14.374 1.00 0.00 H new ATOM 563 N ILE A 36 54.284 49.681 16.274 1.00 0.00 N ATOM 564 CA ILE A 36 54.723 48.481 16.957 1.00 0.00 C ATOM 565 C ILE A 36 54.242 47.258 16.173 1.00 0.00 C ATOM 566 O ILE A 36 53.030 47.088 16.061 1.00 0.00 O ATOM 567 CB ILE A 36 54.215 48.464 18.395 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.724 49.661 19.193 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.622 47.172 19.097 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.027 49.869 20.534 1.00 0.00 C ATOM 0 H ILE A 36 53.497 50.132 16.740 1.00 0.00 H new ATOM 0 HA ILE A 36 55.812 48.461 17.004 1.00 0.00 H new ATOM 0 HB ILE A 36 53.128 48.524 18.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.793 49.537 19.369 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.602 50.561 18.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.249 47.181 20.121 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.199 46.320 18.565 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.709 47.090 19.107 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.451 50.740 21.033 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.961 50.028 20.369 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.170 48.988 21.159 1.00 0.00 H new ATOM 582 N PRO A 37 55.109 46.389 15.660 1.00 0.00 N ATOM 583 CA PRO A 37 54.690 45.227 14.901 1.00 0.00 C ATOM 584 C PRO A 37 53.861 44.245 15.730 1.00 0.00 C ATOM 585 O PRO A 37 54.183 44.004 16.892 1.00 0.00 O ATOM 586 CB PRO A 37 55.963 44.576 14.366 1.00 0.00 C ATOM 587 CG PRO A 37 56.975 45.717 14.374 1.00 0.00 C ATOM 588 CD PRO A 37 56.551 46.505 15.611 1.00 0.00 C ATOM 0 HA PRO A 37 54.030 45.530 14.088 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.286 43.748 14.997 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.818 44.175 13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.000 45.354 14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.919 46.319 13.467 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.009 46.099 16.513 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.860 47.548 15.538 1.00 0.00 H new ATOM 596 N PRO A 38 52.821 43.627 15.178 1.00 0.00 N ATOM 597 CA PRO A 38 51.875 42.824 15.925 1.00 0.00 C ATOM 598 C PRO A 38 52.478 41.539 16.495 1.00 0.00 C ATOM 599 O PRO A 38 52.005 41.047 17.516 1.00 0.00 O ATOM 600 CB PRO A 38 50.736 42.525 14.953 1.00 0.00 C ATOM 601 CG PRO A 38 51.409 42.581 13.584 1.00 0.00 C ATOM 602 CD PRO A 38 52.424 43.702 13.785 1.00 0.00 C ATOM 0 HA PRO A 38 51.534 43.368 16.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.293 41.547 15.143 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.935 43.259 15.036 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.888 41.637 13.324 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.700 42.808 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.283 43.575 13.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.986 44.673 13.555 1.00 0.00 H new ATOM 610 N ASP A 39 53.549 41.009 15.910 1.00 0.00 N ATOM 611 CA ASP A 39 54.276 39.872 16.438 1.00 0.00 C ATOM 612 C ASP A 39 55.069 40.198 17.705 1.00 0.00 C ATOM 613 O ASP A 39 55.475 39.299 18.437 1.00 0.00 O ATOM 614 CB ASP A 39 55.187 39.313 15.348 1.00 0.00 C ATOM 615 CG ASP A 39 56.338 40.261 15.006 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.095 41.265 14.303 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.479 39.987 15.439 1.00 0.00 O ATOM 0 H ASP A 39 53.938 41.369 15.039 1.00 0.00 H new ATOM 0 HA ASP A 39 53.545 39.120 16.736 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.593 38.355 15.674 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.599 39.121 14.450 1.00 0.00 H new ATOM 622 N GLN A 40 55.279 41.479 17.995 1.00 0.00 N ATOM 623 CA GLN A 40 55.950 41.957 19.187 1.00 0.00 C ATOM 624 C GLN A 40 54.967 42.313 20.303 1.00 0.00 C ATOM 625 O GLN A 40 55.416 42.675 21.389 1.00 0.00 O ATOM 626 CB GLN A 40 56.859 43.133 18.841 1.00 0.00 C ATOM 627 CG GLN A 40 57.886 42.826 17.755 1.00 0.00 C ATOM 628 CD GLN A 40 58.784 44.022 17.424 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.752 45.075 18.055 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.623 43.911 16.398 1.00 0.00 N ATOM 0 H GLN A 40 54.974 42.234 17.381 1.00 0.00 H new ATOM 0 HA GLN A 40 56.566 41.144 19.573 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.243 43.972 18.517 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.383 43.451 19.742 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.508 41.990 18.076 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.367 42.508 16.851 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.663 43.043 15.863 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.227 44.693 16.146 1.00 0.00 H new ATOM 639 N GLN A 41 53.660 42.210 20.086 1.00 0.00 N ATOM 640 CA GLN A 41 52.635 42.631 21.021 1.00 0.00 C ATOM 641 C GLN A 41 51.987 41.462 21.764 1.00 0.00 C ATOM 642 O GLN A 41 51.662 40.441 21.162 1.00 0.00 O ATOM 643 CB GLN A 41 51.545 43.417 20.297 1.00 0.00 C ATOM 644 CG GLN A 41 51.998 44.702 19.612 1.00 0.00 C ATOM 645 CD GLN A 41 50.823 45.454 18.980 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.731 45.525 19.540 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.957 46.028 17.789 1.00 0.00 N ATOM 0 H GLN A 41 53.278 41.818 19.225 1.00 0.00 H new ATOM 0 HA GLN A 41 53.136 43.259 21.758 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.092 42.768 19.547 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.765 43.666 21.016 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.493 45.346 20.339 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.733 44.464 18.843 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.851 45.986 17.300 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.166 46.511 17.364 1.00 0.00 H new ATOM 656 N ARG A 42 51.680 41.671 23.041 1.00 0.00 N ATOM 657 CA ARG A 42 50.692 40.963 23.829 1.00 0.00 C ATOM 658 C ARG A 42 49.649 41.962 24.336 1.00 0.00 C ATOM 659 O ARG A 42 50.045 43.036 24.782 1.00 0.00 O ATOM 660 CB ARG A 42 51.327 40.306 25.051 1.00 0.00 C ATOM 661 CG ARG A 42 52.504 39.364 24.809 1.00 0.00 C ATOM 662 CD ARG A 42 53.133 39.013 26.154 1.00 0.00 C ATOM 663 NE ARG A 42 54.326 38.182 25.992 1.00 0.00 N ATOM 664 CZ ARG A 42 54.392 36.844 25.986 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.312 36.060 26.114 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.579 36.247 25.815 1.00 0.00 N ATOM 0 H ARG A 42 52.153 42.393 23.585 1.00 0.00 H new ATOM 0 HA ARG A 42 50.243 40.198 23.196 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.661 41.096 25.723 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.551 39.748 25.575 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.167 38.460 24.302 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.240 39.838 24.160 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.396 39.929 26.683 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.404 38.487 26.771 1.00 0.00 H new ATOM 0 HE ARG A 42 55.209 38.678 25.870 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.388 36.478 26.222 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.414 35.045 26.103 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.420 36.811 25.691 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.642 35.229 25.809 1.00 0.00 H new ATOM 680 N LEU A 43 48.367 41.608 24.336 1.00 0.00 N ATOM 681 CA LEU A 43 47.305 42.387 24.939 1.00 0.00 C ATOM 682 C LEU A 43 46.654 41.617 26.090 1.00 0.00 C ATOM 683 O LEU A 43 46.370 40.429 25.967 1.00 0.00 O ATOM 684 CB LEU A 43 46.279 42.806 23.890 1.00 0.00 C ATOM 685 CG LEU A 43 46.812 43.675 22.754 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.690 43.984 21.769 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.379 45.001 23.250 1.00 0.00 C ATOM 0 H LEU A 43 48.035 40.746 23.903 1.00 0.00 H new ATOM 0 HA LEU A 43 47.738 43.296 25.356 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.839 41.907 23.459 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.475 43.346 24.390 1.00 0.00 H new ATOM 0 HG LEU A 43 47.614 43.110 22.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.076 44.605 20.960 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.300 43.053 21.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.890 44.516 22.284 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.744 45.580 22.402 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.598 45.562 23.763 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.201 44.810 23.940 1.00 0.00 H new ATOM 699 N ILE A 44 46.454 42.293 27.217 1.00 0.00 N ATOM 700 CA ILE A 44 46.047 41.709 28.480 1.00 0.00 C ATOM 701 C ILE A 44 44.848 42.474 29.040 1.00 0.00 C ATOM 702 O ILE A 44 44.839 43.704 29.037 1.00 0.00 O ATOM 703 CB ILE A 44 47.234 41.657 29.437 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.400 40.879 28.834 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.835 41.071 30.789 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.660 40.799 29.692 1.00 0.00 C ATOM 0 H ILE A 44 46.578 43.304 27.272 1.00 0.00 H new ATOM 0 HA ILE A 44 45.722 40.679 28.335 1.00 0.00 H new ATOM 0 HB ILE A 44 47.563 42.683 29.600 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.064 39.864 28.621 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.662 41.335 27.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.704 41.048 31.447 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.056 41.688 31.238 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.459 40.057 30.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.422 40.224 29.166 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.033 41.805 29.885 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.426 40.311 30.638 1.00 0.00 H new ATOM 718 N PHE A 45 43.841 41.754 29.528 1.00 0.00 N ATOM 719 CA PHE A 45 42.655 42.302 30.155 1.00 0.00 C ATOM 720 C PHE A 45 42.174 41.449 31.331 1.00 0.00 C ATOM 721 O PHE A 45 42.139 40.225 31.227 1.00 0.00 O ATOM 722 CB PHE A 45 41.527 42.426 29.137 1.00 0.00 C ATOM 723 CG PHE A 45 40.323 43.163 29.674 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.432 44.526 29.972 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.124 42.486 29.925 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.355 45.208 30.551 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.037 43.175 30.477 1.00 0.00 C ATOM 728 CZ PHE A 45 38.155 44.532 30.801 1.00 0.00 C ATOM 0 H PHE A 45 43.835 40.735 29.493 1.00 0.00 H new ATOM 0 HA PHE A 45 42.927 43.286 30.537 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.899 42.945 28.253 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.223 41.429 28.817 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.349 45.053 29.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.037 41.435 29.693 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.450 46.254 30.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.105 42.658 30.653 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.321 45.057 31.243 1.00 0.00 H new ATOM 738 N ALA A 46 41.776 42.091 32.425 1.00 0.00 N ATOM 739 CA ALA A 46 41.202 41.476 33.605 1.00 0.00 C ATOM 740 C ALA A 46 41.888 40.179 34.036 1.00 0.00 C ATOM 741 O ALA A 46 41.258 39.136 34.197 1.00 0.00 O ATOM 742 CB ALA A 46 39.688 41.384 33.435 1.00 0.00 C ATOM 0 H ALA A 46 41.851 43.105 32.511 1.00 0.00 H new ATOM 0 HA ALA A 46 41.398 42.120 34.462 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.250 40.922 34.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.275 42.384 33.306 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.456 40.780 32.558 1.00 0.00 H new ATOM 748 N GLY A 47 43.212 40.211 34.154 1.00 0.00 N ATOM 749 CA GLY A 47 44.016 39.078 34.568 1.00 0.00 C ATOM 750 C GLY A 47 44.272 37.973 33.541 1.00 0.00 C ATOM 751 O GLY A 47 44.785 36.934 33.951 1.00 0.00 O ATOM 0 H GLY A 47 43.763 41.047 33.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.982 39.457 34.901 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.535 38.625 35.435 1.00 0.00 H new ATOM 755 N LYS A 48 43.949 38.142 32.262 1.00 0.00 N ATOM 756 CA LYS A 48 44.189 37.177 31.209 1.00 0.00 C ATOM 757 C LYS A 48 44.842 37.796 29.972 1.00 0.00 C ATOM 758 O LYS A 48 44.506 38.913 29.585 1.00 0.00 O ATOM 759 CB LYS A 48 42.886 36.498 30.798 1.00 0.00 C ATOM 760 CG LYS A 48 42.291 35.629 31.901 1.00 0.00 C ATOM 761 CD LYS A 48 41.051 34.875 31.428 1.00 0.00 C ATOM 762 CE LYS A 48 40.513 33.993 32.551 1.00 0.00 C ATOM 763 NZ LYS A 48 39.384 33.175 32.083 1.00 0.00 N ATOM 0 H LYS A 48 43.495 38.991 31.924 1.00 0.00 H new ATOM 0 HA LYS A 48 44.883 36.444 31.620 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.161 37.260 30.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.066 35.883 29.916 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.040 34.916 32.244 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.031 36.254 32.755 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.284 35.582 31.112 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.297 34.263 30.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.307 33.345 32.922 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.194 34.616 33.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.036 32.584 32.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.619 33.797 31.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.698 32.565 31.301 1.00 0.00 H new ATOM 777 N GLN A 49 45.715 37.051 29.299 1.00 0.00 N ATOM 778 CA GLN A 49 46.235 37.408 27.994 1.00 0.00 C ATOM 779 C GLN A 49 45.209 37.053 26.915 1.00 0.00 C ATOM 780 O GLN A 49 44.740 35.919 26.851 1.00 0.00 O ATOM 781 CB GLN A 49 47.584 36.736 27.759 1.00 0.00 C ATOM 782 CG GLN A 49 48.293 37.264 26.514 1.00 0.00 C ATOM 783 CD GLN A 49 49.577 36.491 26.211 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.652 36.792 26.725 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.509 35.469 25.361 1.00 0.00 N ATOM 0 H GLN A 49 46.083 36.169 29.656 1.00 0.00 H new ATOM 0 HA GLN A 49 46.404 38.484 27.946 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.221 36.893 28.630 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.438 35.660 27.661 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.620 37.198 25.659 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.530 38.319 26.652 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.617 35.219 24.934 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.349 34.936 25.136 1.00 0.00 H new ATOM 794 N LEU A 50 44.866 38.006 26.053 1.00 0.00 N ATOM 795 CA LEU A 50 43.831 37.853 25.048 1.00 0.00 C ATOM 796 C LEU A 50 44.283 36.921 23.922 1.00 0.00 C ATOM 797 O LEU A 50 45.294 37.180 23.273 1.00 0.00 O ATOM 798 CB LEU A 50 43.435 39.223 24.505 1.00 0.00 C ATOM 799 CG LEU A 50 42.926 40.231 25.533 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.556 41.551 24.863 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.680 39.715 26.249 1.00 0.00 C ATOM 0 H LEU A 50 45.312 38.923 26.037 1.00 0.00 H new ATOM 0 HA LEU A 50 42.958 37.394 25.513 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.299 39.655 24.000 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.661 39.082 23.750 1.00 0.00 H new ATOM 0 HG LEU A 50 43.734 40.379 26.250 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.196 42.253 25.616 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.434 41.967 24.369 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.773 41.377 24.125 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.344 40.456 26.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.890 39.535 25.520 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.916 38.784 26.765 1.00 0.00 H new ATOM 813 N GLU A 51 43.554 35.831 23.702 1.00 0.00 N ATOM 814 CA GLU A 51 43.829 34.854 22.667 1.00 0.00 C ATOM 815 C GLU A 51 43.395 35.348 21.285 1.00 0.00 C ATOM 816 O GLU A 51 42.221 35.624 21.049 1.00 0.00 O ATOM 817 CB GLU A 51 43.125 33.530 22.953 1.00 0.00 C ATOM 818 CG GLU A 51 43.679 32.755 24.145 1.00 0.00 C ATOM 819 CD GLU A 51 43.049 31.361 24.191 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.004 31.175 24.850 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.577 30.451 23.517 1.00 0.00 O ATOM 0 H GLU A 51 42.731 35.601 24.259 1.00 0.00 H new ATOM 0 HA GLU A 51 44.909 34.704 22.669 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.067 33.727 23.126 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.191 32.900 22.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.763 32.672 24.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.467 33.291 25.070 1.00 0.00 H new ATOM 828 N ASP A 52 44.329 35.392 20.340 1.00 0.00 N ATOM 829 CA ASP A 52 44.053 35.743 18.961 1.00 0.00 C ATOM 830 C ASP A 52 43.109 34.709 18.344 1.00 0.00 C ATOM 831 O ASP A 52 43.300 33.508 18.519 1.00 0.00 O ATOM 832 CB ASP A 52 45.347 35.901 18.169 1.00 0.00 C ATOM 833 CG ASP A 52 46.412 36.719 18.904 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.572 37.933 18.652 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.145 36.127 19.727 1.00 0.00 O ATOM 0 H ASP A 52 45.311 35.181 20.518 1.00 0.00 H new ATOM 0 HA ASP A 52 43.552 36.710 18.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.749 34.913 17.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.125 36.380 17.216 1.00 0.00 H new ATOM 840 N GLY A 53 42.063 35.168 17.664 1.00 0.00 N ATOM 841 CA GLY A 53 40.928 34.375 17.237 1.00 0.00 C ATOM 842 C GLY A 53 39.695 34.456 18.139 1.00 0.00 C ATOM 843 O GLY A 53 38.657 33.906 17.777 1.00 0.00 O ATOM 0 H GLY A 53 41.985 36.146 17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.644 34.689 16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.240 33.333 17.169 1.00 0.00 H new ATOM 847 N ARG A 54 39.766 35.155 19.268 1.00 0.00 N ATOM 848 CA ARG A 54 38.628 35.550 20.074 1.00 0.00 C ATOM 849 C ARG A 54 38.323 37.038 19.894 1.00 0.00 C ATOM 850 O ARG A 54 39.137 37.770 19.336 1.00 0.00 O ATOM 851 CB ARG A 54 38.864 35.176 21.535 1.00 0.00 C ATOM 852 CG ARG A 54 39.165 33.695 21.745 1.00 0.00 C ATOM 853 CD ARG A 54 39.181 33.349 23.231 1.00 0.00 C ATOM 854 NE ARG A 54 39.677 31.995 23.482 1.00 0.00 N ATOM 855 CZ ARG A 54 39.018 30.839 23.329 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.759 30.771 22.873 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.624 29.685 23.640 1.00 0.00 N ATOM 0 H ARG A 54 40.654 35.471 19.657 1.00 0.00 H new ATOM 0 HA ARG A 54 37.745 35.007 19.736 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.695 35.766 21.923 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.983 35.445 22.117 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.415 33.091 21.235 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.129 33.449 21.300 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.806 34.067 23.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.173 33.445 23.635 1.00 0.00 H new ATOM 0 HE ARG A 54 40.639 31.923 23.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.260 31.625 22.625 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.301 29.865 22.774 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.582 29.690 23.991 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.128 28.801 23.526 1.00 0.00 H new ATOM 871 N THR A 55 37.153 37.487 20.342 1.00 0.00 N ATOM 872 CA THR A 55 36.683 38.850 20.200 1.00 0.00 C ATOM 873 C THR A 55 36.764 39.648 21.503 1.00 0.00 C ATOM 874 O THR A 55 36.968 39.076 22.572 1.00 0.00 O ATOM 875 CB THR A 55 35.256 38.906 19.663 1.00 0.00 C ATOM 876 OG1 THR A 55 34.350 38.492 20.661 1.00 0.00 O ATOM 877 CG2 THR A 55 35.025 38.032 18.432 1.00 0.00 C ATOM 0 H THR A 55 36.488 36.886 20.830 1.00 0.00 H new ATOM 0 HA THR A 55 37.357 39.312 19.478 1.00 0.00 H new ATOM 0 HB THR A 55 35.093 39.944 19.371 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.678 37.669 21.079 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.988 38.125 18.109 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.686 38.355 17.627 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.236 36.992 18.680 1.00 0.00 H new ATOM 885 N LEU A 56 36.529 40.956 21.454 1.00 0.00 N ATOM 886 CA LEU A 56 36.349 41.768 22.640 1.00 0.00 C ATOM 887 C LEU A 56 35.164 41.311 23.494 1.00 0.00 C ATOM 888 O LEU A 56 35.259 41.282 24.719 1.00 0.00 O ATOM 889 CB LEU A 56 36.188 43.232 22.241 1.00 0.00 C ATOM 890 CG LEU A 56 37.391 43.855 21.538 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.132 45.338 21.287 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.680 43.758 22.348 1.00 0.00 C ATOM 0 H LEU A 56 36.459 41.480 20.582 1.00 0.00 H new ATOM 0 HA LEU A 56 37.240 41.650 23.256 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.321 43.319 21.586 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.971 43.813 23.137 1.00 0.00 H new ATOM 0 HG LEU A 56 37.517 43.295 20.611 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.994 45.778 20.785 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.249 45.452 20.659 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.968 45.845 22.238 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.495 44.220 21.791 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.552 44.275 23.299 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.915 42.710 22.534 1.00 0.00 H new ATOM 904 N SER A 57 34.074 40.894 22.858 1.00 0.00 N ATOM 905 CA SER A 57 32.907 40.330 23.508 1.00 0.00 C ATOM 906 C SER A 57 33.224 39.053 24.286 1.00 0.00 C ATOM 907 O SER A 57 32.692 38.855 25.376 1.00 0.00 O ATOM 908 CB SER A 57 31.808 40.030 22.492 1.00 0.00 C ATOM 909 OG SER A 57 31.428 41.216 21.830 1.00 0.00 O ATOM 0 H SER A 57 33.980 40.943 21.843 1.00 0.00 H new ATOM 0 HA SER A 57 32.564 41.084 24.217 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.161 39.296 21.767 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.946 39.592 22.995 1.00 0.00 H new ATOM 0 HG SER A 57 32.190 41.566 21.322 1.00 0.00 H new ATOM 915 N ASP A 58 34.144 38.220 23.806 1.00 0.00 N ATOM 916 CA ASP A 58 34.562 37.005 24.474 1.00 0.00 C ATOM 917 C ASP A 58 35.303 37.225 25.794 1.00 0.00 C ATOM 918 O ASP A 58 35.503 36.271 26.544 1.00 0.00 O ATOM 919 CB ASP A 58 35.388 36.143 23.523 1.00 0.00 C ATOM 920 CG ASP A 58 34.545 35.531 22.402 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.809 34.559 22.680 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.663 35.958 21.233 1.00 0.00 O ATOM 0 H ASP A 58 34.626 38.381 22.922 1.00 0.00 H new ATOM 0 HA ASP A 58 33.645 36.485 24.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.182 36.749 23.086 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.870 35.345 24.088 1.00 0.00 H new ATOM 927 N TYR A 59 35.671 38.462 26.116 1.00 0.00 N ATOM 928 CA TYR A 59 36.317 38.854 27.352 1.00 0.00 C ATOM 929 C TYR A 59 35.582 39.950 28.127 1.00 0.00 C ATOM 930 O TYR A 59 36.147 40.487 29.077 1.00 0.00 O ATOM 931 CB TYR A 59 37.766 39.230 27.056 1.00 0.00 C ATOM 932 CG TYR A 59 38.662 38.073 26.683 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.323 37.354 27.688 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.880 37.758 25.336 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.230 36.342 27.351 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.804 36.766 24.988 1.00 0.00 C ATOM 937 CZ TYR A 59 40.485 36.055 25.995 1.00 0.00 C ATOM 938 OH TYR A 59 41.422 35.125 25.654 1.00 0.00 O ATOM 0 H TYR A 59 35.517 39.251 25.488 1.00 0.00 H new ATOM 0 HA TYR A 59 36.288 37.995 28.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.778 39.956 26.243 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.183 39.725 27.933 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.132 37.581 28.726 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.334 38.281 24.565 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.732 35.784 28.127 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.995 36.546 23.948 1.00 0.00 H new ATOM 0 HH TYR A 59 41.000 34.243 25.591 1.00 0.00 H new ATOM 948 N ASN A 60 34.346 40.290 27.776 1.00 0.00 N ATOM 949 CA ASN A 60 33.587 41.367 28.380 1.00 0.00 C ATOM 950 C ASN A 60 34.300 42.721 28.373 1.00 0.00 C ATOM 951 O ASN A 60 34.197 43.509 29.311 1.00 0.00 O ATOM 952 CB ASN A 60 33.043 40.951 29.744 1.00 0.00 C ATOM 953 CG ASN A 60 32.002 41.925 30.301 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.249 42.580 29.584 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.915 42.051 31.621 1.00 0.00 N ATOM 0 H ASN A 60 33.833 39.805 27.040 1.00 0.00 H new ATOM 0 HA ASN A 60 32.725 41.545 27.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.597 39.960 29.663 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.870 40.871 30.449 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.229 42.686 32.029 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.535 41.513 32.227 1.00 0.00 H new ATOM 962 N ILE A 61 35.028 43.027 27.303 1.00 0.00 N ATOM 963 CA ILE A 61 35.604 44.338 27.088 1.00 0.00 C ATOM 964 C ILE A 61 34.501 45.266 26.575 1.00 0.00 C ATOM 965 O ILE A 61 33.733 44.892 25.690 1.00 0.00 O ATOM 966 CB ILE A 61 36.816 44.233 26.166 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.937 43.470 26.866 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.309 45.607 25.720 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.038 42.969 25.936 1.00 0.00 C ATOM 0 H ILE A 61 35.233 42.361 26.558 1.00 0.00 H new ATOM 0 HA ILE A 61 35.984 44.769 28.014 1.00 0.00 H new ATOM 0 HB ILE A 61 36.510 43.689 25.272 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.383 44.117 27.621 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.506 42.617 27.391 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.172 45.489 25.065 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.513 46.122 25.182 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.594 46.193 26.594 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.792 42.439 26.518 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.609 42.293 25.196 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.500 43.816 25.430 1.00 0.00 H new ATOM 981 N GLN A 62 34.396 46.462 27.147 1.00 0.00 N ATOM 982 CA GLN A 62 33.378 47.455 26.867 1.00 0.00 C ATOM 983 C GLN A 62 33.989 48.844 26.681 1.00 0.00 C ATOM 984 O GLN A 62 35.185 49.041 26.878 1.00 0.00 O ATOM 985 CB GLN A 62 32.351 47.478 27.997 1.00 0.00 C ATOM 986 CG GLN A 62 31.599 46.173 28.242 1.00 0.00 C ATOM 987 CD GLN A 62 30.457 46.336 29.247 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.892 47.410 29.439 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.060 45.266 29.931 1.00 0.00 N ATOM 0 H GLN A 62 35.058 46.776 27.857 1.00 0.00 H new ATOM 0 HA GLN A 62 32.884 47.181 25.935 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.860 47.760 28.919 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.622 48.260 27.784 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.198 45.805 27.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.296 45.419 28.608 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.519 44.367 29.783 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.297 45.345 30.603 1.00 0.00 H new ATOM 998 N LYS A 63 33.180 49.851 26.364 1.00 0.00 N ATOM 999 CA LYS A 63 33.541 51.252 26.438 1.00 0.00 C ATOM 1000 C LYS A 63 34.203 51.580 27.778 1.00 0.00 C ATOM 1001 O LYS A 63 33.693 51.201 28.830 1.00 0.00 O ATOM 1002 CB LYS A 63 32.292 52.099 26.213 1.00 0.00 C ATOM 1003 CG LYS A 63 32.551 53.601 26.279 1.00 0.00 C ATOM 1004 CD LYS A 63 31.286 54.418 26.029 1.00 0.00 C ATOM 1005 CE LYS A 63 30.354 54.447 27.236 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.750 55.463 28.223 1.00 0.00 N ATOM 0 H LYS A 63 32.225 49.703 26.038 1.00 0.00 H new ATOM 0 HA LYS A 63 34.270 51.479 25.660 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.868 51.855 25.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.545 51.835 26.961 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.957 53.855 27.258 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.307 53.870 25.541 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.564 55.439 25.766 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.753 54.002 25.174 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.336 54.646 26.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.347 53.466 27.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.108 55.422 29.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.724 55.280 28.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.699 56.407 27.789 1.00 0.00 H new ATOM 1020 N GLU A 64 35.325 52.291 27.728 1.00 0.00 N ATOM 1021 CA GLU A 64 36.160 52.643 28.859 1.00 0.00 C ATOM 1022 C GLU A 64 36.815 51.469 29.589 1.00 0.00 C ATOM 1023 O GLU A 64 37.368 51.656 30.672 1.00 0.00 O ATOM 1024 CB GLU A 64 35.463 53.621 29.799 1.00 0.00 C ATOM 1025 CG GLU A 64 35.218 54.983 29.157 1.00 0.00 C ATOM 1026 CD GLU A 64 34.254 55.806 30.017 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.673 56.328 31.071 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.086 55.961 29.601 1.00 0.00 O ATOM 0 H GLU A 64 35.691 52.654 26.848 1.00 0.00 H new ATOM 0 HA GLU A 64 37.011 53.162 28.418 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.510 53.197 30.116 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.069 53.751 30.696 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.162 55.516 29.045 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.805 54.853 28.157 1.00 0.00 H new ATOM 1035 N SER A 65 36.844 50.274 29.005 1.00 0.00 N ATOM 1036 CA SER A 65 37.743 49.225 29.442 1.00 0.00 C ATOM 1037 C SER A 65 39.187 49.581 29.084 1.00 0.00 C ATOM 1038 O SER A 65 39.462 50.052 27.984 1.00 0.00 O ATOM 1039 CB SER A 65 37.361 47.876 28.840 1.00 0.00 C ATOM 1040 OG SER A 65 36.181 47.357 29.410 1.00 0.00 O ATOM 0 H SER A 65 36.246 50.013 28.221 1.00 0.00 H new ATOM 0 HA SER A 65 37.658 49.140 30.525 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.226 47.985 27.764 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.177 47.169 28.989 1.00 0.00 H new ATOM 0 HG SER A 65 36.387 46.529 29.892 1.00 0.00 H new ATOM 1046 N THR A 66 40.104 49.332 30.015 1.00 0.00 N ATOM 1047 CA THR A 66 41.524 49.580 29.866 1.00 0.00 C ATOM 1048 C THR A 66 42.282 48.256 29.751 1.00 0.00 C ATOM 1049 O THR A 66 42.140 47.382 30.602 1.00 0.00 O ATOM 1050 CB THR A 66 42.070 50.420 31.018 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.373 51.643 31.112 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.543 50.778 30.844 1.00 0.00 C ATOM 0 H THR A 66 39.864 48.938 30.925 1.00 0.00 H new ATOM 0 HA THR A 66 41.673 50.150 28.949 1.00 0.00 H new ATOM 0 HB THR A 66 41.944 49.807 31.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.734 52.169 31.856 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.875 51.375 31.693 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.135 49.865 30.789 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.672 51.350 29.925 1.00 0.00 H new ATOM 1060 N LEU A 67 43.101 48.115 28.713 1.00 0.00 N ATOM 1061 CA LEU A 67 43.930 46.963 28.423 1.00 0.00 C ATOM 1062 C LEU A 67 45.403 47.296 28.669 1.00 0.00 C ATOM 1063 O LEU A 67 45.835 48.427 28.458 1.00 0.00 O ATOM 1064 CB LEU A 67 43.737 46.527 26.974 1.00 0.00 C ATOM 1065 CG LEU A 67 42.457 45.779 26.614 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.169 46.581 26.785 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.537 45.358 25.150 1.00 0.00 C ATOM 0 H LEU A 67 43.206 48.850 28.013 1.00 0.00 H new ATOM 0 HA LEU A 67 43.634 46.148 29.083 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.790 47.418 26.348 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.581 45.894 26.701 1.00 0.00 H new ATOM 0 HG LEU A 67 42.403 44.940 27.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.316 45.963 26.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.067 46.889 27.826 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.203 47.464 26.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.629 44.821 24.876 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.639 46.243 24.522 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.400 44.708 25.005 1.00 0.00 H new ATOM 1079 N HIS A 68 46.199 46.295 29.035 1.00 0.00 N ATOM 1080 CA HIS A 68 47.640 46.418 29.120 1.00 0.00 C ATOM 1081 C HIS A 68 48.296 45.844 27.861 1.00 0.00 C ATOM 1082 O HIS A 68 48.020 44.711 27.473 1.00 0.00 O ATOM 1083 CB HIS A 68 48.169 45.753 30.387 1.00 0.00 C ATOM 1084 CG HIS A 68 47.933 46.554 31.638 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.700 47.013 32.097 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.896 46.903 32.551 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.934 47.622 33.261 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.243 47.582 33.560 1.00 0.00 N ATOM 0 H HIS A 68 45.852 45.368 29.282 1.00 0.00 H new ATOM 0 HA HIS A 68 47.899 47.475 29.179 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.697 44.777 30.498 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.239 45.579 30.275 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.953 46.689 32.492 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.176 48.083 33.877 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.679 47.984 34.390 1.00 0.00 H new ATOM 1096 N LEU A 69 49.188 46.620 27.254 1.00 0.00 N ATOM 1097 CA LEU A 69 50.099 46.190 26.211 1.00 0.00 C ATOM 1098 C LEU A 69 51.439 45.803 26.841 1.00 0.00 C ATOM 1099 O LEU A 69 51.984 46.542 27.658 1.00 0.00 O ATOM 1100 CB LEU A 69 50.199 47.297 25.166 1.00 0.00 C ATOM 1101 CG LEU A 69 51.291 47.174 24.107 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.194 45.922 23.242 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.219 48.371 23.164 1.00 0.00 C ATOM 0 H LEU A 69 49.297 47.607 27.489 1.00 0.00 H new ATOM 0 HA LEU A 69 49.737 45.300 25.695 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.240 47.362 24.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.345 48.241 25.690 1.00 0.00 H new ATOM 0 HG LEU A 69 52.227 47.124 24.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.008 45.916 22.518 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.264 45.037 23.874 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.240 45.917 22.715 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.998 48.285 22.407 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.243 48.394 22.679 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.364 49.290 23.731 1.00 0.00 H new ATOM 1115 N VAL A 70 51.976 44.651 26.448 1.00 0.00 N ATOM 1116 CA VAL A 70 53.269 44.142 26.857 1.00 0.00 C ATOM 1117 C VAL A 70 54.068 43.732 25.619 1.00 0.00 C ATOM 1118 O VAL A 70 53.518 43.124 24.701 1.00 0.00 O ATOM 1119 CB VAL A 70 53.123 43.003 27.862 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.479 42.483 28.335 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.354 43.443 29.105 1.00 0.00 C ATOM 0 H VAL A 70 51.494 44.022 25.806 1.00 0.00 H new ATOM 0 HA VAL A 70 53.822 44.929 27.371 1.00 0.00 H new ATOM 0 HB VAL A 70 52.580 42.218 27.336 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.329 41.673 29.049 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.045 42.113 27.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.032 43.291 28.814 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.271 42.605 29.797 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.884 44.262 29.590 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.357 43.776 28.817 1.00 0.00 H new