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 60 ASN : amide:sc= 0.69 K(o=1.5,f=-0.79) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.8 K(o=1.5,f=-0.39) USER MOD Set 2.1: A 55 THR OG1 : rot -78:sc= 1.14 USER MOD Set 2.2: A 57 SER OG : rot -83:sc= 0.377 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 1.61 (180deg=1.45) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.177 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00189 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.43 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0.983 (180deg=0.982) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 41 GLN : amide:sc= 1.43 K(o=1.4,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.579 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.02) USER MOD Single : A 65 SER OG : rot 69:sc= 1.27 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 32.457 52.202 19.826 1.00 0.00 N ATOM 2 CA MET A 1 32.877 52.368 21.225 1.00 0.00 C ATOM 3 C MET A 1 34.399 52.511 21.299 1.00 0.00 C ATOM 4 O MET A 1 35.061 52.401 20.269 1.00 0.00 O ATOM 5 CB MET A 1 32.345 51.251 22.119 1.00 0.00 C ATOM 6 CG MET A 1 33.069 49.911 22.024 1.00 0.00 C ATOM 7 SD MET A 1 32.580 48.720 23.296 1.00 0.00 S ATOM 8 CE MET A 1 33.833 47.440 23.039 1.00 0.00 C ATOM 0 H1 MET A 1 31.423 52.292 19.761 1.00 0.00 H new ATOM 0 H2 MET A 1 32.906 52.934 19.240 1.00 0.00 H new ATOM 0 H3 MET A 1 32.745 51.262 19.486 1.00 0.00 H new ATOM 0 HA MET A 1 32.437 53.286 21.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.387 51.591 23.154 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.294 51.091 21.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.881 49.477 21.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.143 50.084 22.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.674 46.627 23.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.757 47.055 22.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.825 47.866 23.192 1.00 0.00 H new ATOM 20 N GLN A 2 34.981 52.738 22.472 1.00 0.00 N ATOM 21 CA GLN A 2 36.415 52.864 22.644 1.00 0.00 C ATOM 22 C GLN A 2 36.960 52.027 23.803 1.00 0.00 C ATOM 23 O GLN A 2 36.253 51.782 24.779 1.00 0.00 O ATOM 24 CB GLN A 2 36.814 54.326 22.824 1.00 0.00 C ATOM 25 CG GLN A 2 36.305 55.240 21.714 1.00 0.00 C ATOM 26 CD GLN A 2 36.955 56.624 21.754 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.582 57.065 20.793 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.805 57.377 22.840 1.00 0.00 N ATOM 0 H GLN A 2 34.457 52.840 23.341 1.00 0.00 H new ATOM 0 HA GLN A 2 36.863 52.473 21.731 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.432 54.683 23.781 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.901 54.394 22.869 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.502 54.777 20.747 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.224 55.347 21.802 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.286 57.018 23.642 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.209 58.313 22.871 1.00 0.00 H new ATOM 37 N ILE A 3 38.234 51.653 23.722 1.00 0.00 N ATOM 38 CA ILE A 3 39.010 51.122 24.824 1.00 0.00 C ATOM 39 C ILE A 3 40.382 51.795 24.913 1.00 0.00 C ATOM 40 O ILE A 3 40.861 52.387 23.948 1.00 0.00 O ATOM 41 CB ILE A 3 39.129 49.600 24.824 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.176 49.002 23.888 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.780 48.902 24.681 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.027 49.323 22.404 1.00 0.00 C ATOM 0 H ILE A 3 38.767 51.716 22.855 1.00 0.00 H new ATOM 0 HA ILE A 3 38.448 51.367 25.725 1.00 0.00 H new ATOM 0 HB ILE A 3 39.518 49.392 25.821 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.159 49.343 24.214 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.159 47.919 24.006 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.927 47.822 24.687 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.134 49.185 25.512 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.314 49.199 23.741 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.830 48.842 21.845 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.065 48.955 22.047 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.080 50.402 22.258 1.00 0.00 H new ATOM 56 N PHE A 4 41.033 51.649 26.064 1.00 0.00 N ATOM 57 CA PHE A 4 42.329 52.215 26.376 1.00 0.00 C ATOM 58 C PHE A 4 43.392 51.135 26.590 1.00 0.00 C ATOM 59 O PHE A 4 43.104 50.096 27.180 1.00 0.00 O ATOM 60 CB PHE A 4 42.185 53.090 27.618 1.00 0.00 C ATOM 61 CG PHE A 4 41.197 54.222 27.461 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.549 55.357 26.722 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.934 54.140 28.061 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.640 56.413 26.579 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.026 55.196 27.922 1.00 0.00 C ATOM 66 CZ PHE A 4 39.376 56.328 27.176 1.00 0.00 C ATOM 0 H PHE A 4 40.647 51.106 26.837 1.00 0.00 H new ATOM 0 HA PHE A 4 42.667 52.814 25.530 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.876 52.465 28.456 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.160 53.505 27.872 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.524 55.419 26.261 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.661 53.263 28.630 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.913 57.290 26.010 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.055 55.138 28.391 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.670 57.137 27.061 1.00 0.00 H new ATOM 76 N VAL A 5 44.626 51.375 26.156 1.00 0.00 N ATOM 77 CA VAL A 5 45.745 50.462 26.274 1.00 0.00 C ATOM 78 C VAL A 5 46.948 51.171 26.900 1.00 0.00 C ATOM 79 O VAL A 5 47.423 52.166 26.357 1.00 0.00 O ATOM 80 CB VAL A 5 46.101 49.865 24.916 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.371 49.019 24.967 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.996 48.960 24.379 1.00 0.00 C ATOM 0 H VAL A 5 44.878 52.249 25.694 1.00 0.00 H new ATOM 0 HA VAL A 5 45.456 49.642 26.931 1.00 0.00 H new ATOM 0 HB VAL A 5 46.244 50.727 24.264 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.581 48.617 23.976 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.207 49.638 25.292 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.233 48.197 25.670 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.294 48.558 23.411 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.827 48.139 25.076 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.077 49.535 24.266 1.00 0.00 H new ATOM 92 N LYS A 6 47.455 50.667 28.021 1.00 0.00 N ATOM 93 CA LYS A 6 48.576 51.207 28.763 1.00 0.00 C ATOM 94 C LYS A 6 49.913 50.582 28.361 1.00 0.00 C ATOM 95 O LYS A 6 50.100 49.375 28.493 1.00 0.00 O ATOM 96 CB LYS A 6 48.318 51.061 30.261 1.00 0.00 C ATOM 97 CG LYS A 6 47.260 52.047 30.748 1.00 0.00 C ATOM 98 CD LYS A 6 47.052 52.023 32.261 1.00 0.00 C ATOM 99 CE LYS A 6 48.255 52.588 33.010 1.00 0.00 C ATOM 100 NZ LYS A 6 48.005 52.656 34.459 1.00 0.00 N ATOM 0 H LYS A 6 47.071 49.827 28.454 1.00 0.00 H new ATOM 0 HA LYS A 6 48.659 52.265 28.514 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.994 50.043 30.477 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.247 51.223 30.808 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.547 53.054 30.445 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.313 51.824 30.256 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.163 52.600 32.514 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.870 50.999 32.586 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.129 51.965 32.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.485 53.584 32.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.842 53.044 34.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.186 53.270 34.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.810 51.701 34.823 1.00 0.00 H new ATOM 168 N LYS A 11 52.355 55.596 28.949 1.00 0.00 N ATOM 169 CA LYS A 11 51.326 56.360 28.275 1.00 0.00 C ATOM 170 C LYS A 11 50.111 55.486 27.958 1.00 0.00 C ATOM 171 O LYS A 11 50.173 54.267 28.097 1.00 0.00 O ATOM 172 CB LYS A 11 51.908 57.038 27.038 1.00 0.00 C ATOM 173 CG LYS A 11 53.012 58.034 27.379 1.00 0.00 C ATOM 174 CD LYS A 11 53.405 58.933 26.210 1.00 0.00 C ATOM 175 CE LYS A 11 53.988 58.160 25.029 1.00 0.00 C ATOM 176 NZ LYS A 11 54.329 59.062 23.919 1.00 0.00 N ATOM 0 HA LYS A 11 50.968 57.147 28.939 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.305 56.278 26.365 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.111 57.554 26.502 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.684 58.657 28.211 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.892 57.487 27.718 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.529 59.488 25.876 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.135 59.666 26.553 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.879 57.620 25.349 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.269 57.415 24.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.723 58.509 23.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.473 59.559 23.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.033 59.757 24.240 1.00 0.00 H new ATOM 190 N THR A 12 49.006 56.106 27.554 1.00 0.00 N ATOM 191 CA THR A 12 47.770 55.434 27.202 1.00 0.00 C ATOM 192 C THR A 12 47.400 55.688 25.740 1.00 0.00 C ATOM 193 O THR A 12 47.426 56.827 25.279 1.00 0.00 O ATOM 194 CB THR A 12 46.633 55.836 28.137 1.00 0.00 C ATOM 195 OG1 THR A 12 47.011 55.609 29.476 1.00 0.00 O ATOM 196 CG2 THR A 12 45.371 55.008 27.912 1.00 0.00 C ATOM 0 H THR A 12 48.950 57.120 27.462 1.00 0.00 H new ATOM 0 HA THR A 12 47.932 54.363 27.323 1.00 0.00 H new ATOM 0 HB THR A 12 46.431 56.887 27.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.278 55.870 30.072 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.594 55.335 28.603 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.026 55.142 26.887 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.591 53.955 28.085 1.00 0.00 H new ATOM 204 N ILE A 13 47.042 54.636 25.009 1.00 0.00 N ATOM 205 CA ILE A 13 46.607 54.663 23.627 1.00 0.00 C ATOM 206 C ILE A 13 45.090 54.475 23.572 1.00 0.00 C ATOM 207 O ILE A 13 44.565 53.597 24.254 1.00 0.00 O ATOM 208 CB ILE A 13 47.344 53.599 22.819 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.864 53.678 22.941 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.936 53.608 21.349 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.495 55.017 22.568 1.00 0.00 C ATOM 0 H ILE A 13 47.050 53.691 25.393 1.00 0.00 H new ATOM 0 HA ILE A 13 46.847 55.628 23.180 1.00 0.00 H new ATOM 0 HB ILE A 13 47.037 52.652 23.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.139 53.443 23.969 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.300 52.904 22.309 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.486 52.834 20.814 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.866 53.415 21.267 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.163 54.581 20.914 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.576 54.957 22.693 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.262 55.252 21.530 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.098 55.799 23.215 1.00 0.00 H new ATOM 223 N THR A 14 44.393 55.249 22.744 1.00 0.00 N ATOM 224 CA THR A 14 42.955 55.191 22.571 1.00 0.00 C ATOM 225 C THR A 14 42.602 54.619 21.197 1.00 0.00 C ATOM 226 O THR A 14 43.193 55.031 20.201 1.00 0.00 O ATOM 227 CB THR A 14 42.328 56.572 22.741 1.00 0.00 C ATOM 228 OG1 THR A 14 42.777 57.211 23.914 1.00 0.00 O ATOM 229 CG2 THR A 14 40.806 56.526 22.837 1.00 0.00 C ATOM 0 H THR A 14 44.835 55.957 22.157 1.00 0.00 H new ATOM 0 HA THR A 14 42.551 54.533 23.340 1.00 0.00 H new ATOM 0 HB THR A 14 42.633 57.120 21.849 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.280 56.866 24.685 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.418 57.538 22.957 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.397 56.086 21.927 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.514 55.921 23.696 1.00 0.00 H new ATOM 237 N LEU A 15 41.624 53.721 21.110 1.00 0.00 N ATOM 238 CA LEU A 15 41.206 53.088 19.875 1.00 0.00 C ATOM 239 C LEU A 15 39.690 52.919 19.777 1.00 0.00 C ATOM 240 O LEU A 15 39.058 52.457 20.725 1.00 0.00 O ATOM 241 CB LEU A 15 41.924 51.747 19.756 1.00 0.00 C ATOM 242 CG LEU A 15 41.655 50.968 18.472 1.00 0.00 C ATOM 243 CD1 LEU A 15 42.229 51.664 17.241 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.289 49.582 18.552 1.00 0.00 C ATOM 0 H LEU A 15 41.090 53.409 21.921 1.00 0.00 H new ATOM 0 HA LEU A 15 41.479 53.736 19.042 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.997 51.921 19.836 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.638 51.125 20.604 1.00 0.00 H new ATOM 0 HG LEU A 15 40.571 50.903 18.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 42.011 51.071 16.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 41.778 52.651 17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.308 51.768 17.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.089 49.037 17.629 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.366 49.682 18.689 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.865 49.036 19.395 1.00 0.00 H new ATOM 256 N GLU A 16 39.119 53.248 18.622 1.00 0.00 N ATOM 257 CA GLU A 16 37.735 53.011 18.265 1.00 0.00 C ATOM 258 C GLU A 16 37.511 51.573 17.792 1.00 0.00 C ATOM 259 O GLU A 16 38.188 51.092 16.887 1.00 0.00 O ATOM 260 CB GLU A 16 37.318 54.033 17.210 1.00 0.00 C ATOM 261 CG GLU A 16 35.948 53.823 16.571 1.00 0.00 C ATOM 262 CD GLU A 16 34.775 54.032 17.529 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.682 55.116 18.145 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.870 53.172 17.590 1.00 0.00 O ATOM 0 H GLU A 16 39.640 53.710 17.877 1.00 0.00 H new ATOM 0 HA GLU A 16 37.108 53.136 19.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.335 55.023 17.667 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.068 54.034 16.419 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.843 54.508 15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.898 52.812 16.167 1.00 0.00 H new ATOM 271 N VAL A 17 36.541 50.890 18.393 1.00 0.00 N ATOM 272 CA VAL A 17 36.222 49.489 18.205 1.00 0.00 C ATOM 273 C VAL A 17 34.717 49.219 18.258 1.00 0.00 C ATOM 274 O VAL A 17 33.956 49.950 18.889 1.00 0.00 O ATOM 275 CB VAL A 17 36.915 48.607 19.241 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.437 48.665 19.156 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.500 48.947 20.670 1.00 0.00 C ATOM 0 H VAL A 17 35.919 51.335 19.068 1.00 0.00 H new ATOM 0 HA VAL A 17 36.588 49.238 17.209 1.00 0.00 H new ATOM 0 HB VAL A 17 36.587 47.596 18.998 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.869 48.017 19.918 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.759 48.330 18.170 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.772 49.689 19.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.022 48.291 21.366 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.757 49.984 20.887 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.424 48.810 20.779 1.00 0.00 H new ATOM 287 N GLU A 18 34.297 48.107 17.662 1.00 0.00 N ATOM 288 CA GLU A 18 33.057 47.427 17.974 1.00 0.00 C ATOM 289 C GLU A 18 33.318 46.317 18.996 1.00 0.00 C ATOM 290 O GLU A 18 34.405 45.744 18.984 1.00 0.00 O ATOM 291 CB GLU A 18 32.450 46.796 16.723 1.00 0.00 C ATOM 292 CG GLU A 18 32.082 47.754 15.594 1.00 0.00 C ATOM 293 CD GLU A 18 30.892 48.656 15.928 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.737 48.274 15.641 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.115 49.767 16.456 1.00 0.00 O ATOM 0 H GLU A 18 34.831 47.645 16.926 1.00 0.00 H new ATOM 0 HA GLU A 18 32.363 48.164 18.379 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.156 46.062 16.333 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.553 46.251 17.016 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.946 48.376 15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.851 47.177 14.698 1.00 0.00 H new ATOM 302 N PRO A 19 32.344 45.909 19.803 1.00 0.00 N ATOM 303 CA PRO A 19 32.441 44.721 20.626 1.00 0.00 C ATOM 304 C PRO A 19 32.733 43.420 19.877 1.00 0.00 C ATOM 305 O PRO A 19 33.123 42.423 20.481 1.00 0.00 O ATOM 306 CB PRO A 19 31.106 44.615 21.357 1.00 0.00 C ATOM 307 CG PRO A 19 30.546 46.034 21.351 1.00 0.00 C ATOM 308 CD PRO A 19 31.106 46.618 20.058 1.00 0.00 C ATOM 0 HA PRO A 19 33.300 44.835 21.288 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.433 43.922 20.853 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.240 44.247 22.374 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.456 46.038 21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.871 46.600 22.224 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.404 46.486 19.234 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.283 47.689 20.158 1.00 0.00 H new ATOM 316 N SER A 20 32.538 43.408 18.561 1.00 0.00 N ATOM 317 CA SER A 20 32.817 42.307 17.661 1.00 0.00 C ATOM 318 C SER A 20 34.146 42.408 16.909 1.00 0.00 C ATOM 319 O SER A 20 34.445 41.522 16.113 1.00 0.00 O ATOM 320 CB SER A 20 31.660 42.142 16.680 1.00 0.00 C ATOM 321 OG SER A 20 31.384 43.348 16.003 1.00 0.00 O ATOM 0 H SER A 20 32.158 44.218 18.071 1.00 0.00 H new ATOM 0 HA SER A 20 32.918 41.424 18.292 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.903 41.364 15.956 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.770 41.812 17.216 1.00 0.00 H new ATOM 0 HG SER A 20 30.640 43.211 15.381 1.00 0.00 H new ATOM 327 N ASP A 21 34.959 43.438 17.127 1.00 0.00 N ATOM 328 CA ASP A 21 36.283 43.503 16.543 1.00 0.00 C ATOM 329 C ASP A 21 37.240 42.527 17.229 1.00 0.00 C ATOM 330 O ASP A 21 37.144 42.285 18.430 1.00 0.00 O ATOM 331 CB ASP A 21 36.821 44.931 16.571 1.00 0.00 C ATOM 332 CG ASP A 21 36.117 45.906 15.626 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.460 45.479 14.652 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.263 47.130 15.832 1.00 0.00 O ATOM 0 H ASP A 21 34.716 44.240 17.708 1.00 0.00 H new ATOM 0 HA ASP A 21 36.206 43.200 15.499 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.741 45.313 17.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.882 44.909 16.321 1.00 0.00 H new ATOM 339 N THR A 22 38.168 41.948 16.472 1.00 0.00 N ATOM 340 CA THR A 22 39.128 40.972 16.947 1.00 0.00 C ATOM 341 C THR A 22 40.343 41.603 17.632 1.00 0.00 C ATOM 342 O THR A 22 40.769 42.705 17.296 1.00 0.00 O ATOM 343 CB THR A 22 39.619 40.060 15.827 1.00 0.00 C ATOM 344 OG1 THR A 22 40.114 40.830 14.755 1.00 0.00 O ATOM 345 CG2 THR A 22 38.520 39.139 15.303 1.00 0.00 C ATOM 0 H THR A 22 38.271 42.156 15.479 1.00 0.00 H new ATOM 0 HA THR A 22 38.583 40.385 17.686 1.00 0.00 H new ATOM 0 HB THR A 22 40.410 39.441 16.250 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.428 40.235 14.042 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.921 38.511 14.508 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.156 38.509 16.114 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.698 39.739 14.912 1.00 0.00 H new ATOM 353 N ILE A 23 40.957 40.855 18.545 1.00 0.00 N ATOM 354 CA ILE A 23 42.227 41.199 19.151 1.00 0.00 C ATOM 355 C ILE A 23 43.324 41.315 18.091 1.00 0.00 C ATOM 356 O ILE A 23 44.138 42.233 18.156 1.00 0.00 O ATOM 357 CB ILE A 23 42.560 40.181 20.238 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.549 40.180 21.381 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.975 40.345 20.784 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.463 41.460 22.208 1.00 0.00 C ATOM 0 H ILE A 23 40.572 39.975 18.887 1.00 0.00 H new ATOM 0 HA ILE A 23 42.158 42.179 19.623 1.00 0.00 H new ATOM 0 HB ILE A 23 42.501 39.211 19.744 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.563 39.974 20.965 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.791 39.355 22.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.157 39.595 21.554 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.694 40.217 19.975 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.086 41.340 21.214 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.712 41.339 22.989 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.431 41.664 22.665 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.184 42.292 21.562 1.00 0.00 H new ATOM 372 N GLU A 24 43.305 40.461 17.072 1.00 0.00 N ATOM 373 CA GLU A 24 44.161 40.528 15.903 1.00 0.00 C ATOM 374 C GLU A 24 44.102 41.884 15.198 1.00 0.00 C ATOM 375 O GLU A 24 45.139 42.508 14.984 1.00 0.00 O ATOM 376 CB GLU A 24 43.748 39.407 14.953 1.00 0.00 C ATOM 377 CG GLU A 24 44.588 39.301 13.684 1.00 0.00 C ATOM 378 CD GLU A 24 44.093 38.149 12.808 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.512 36.990 13.014 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.305 38.409 11.873 1.00 0.00 O ATOM 0 H GLU A 24 42.662 39.670 17.042 1.00 0.00 H new ATOM 0 HA GLU A 24 45.196 40.406 16.222 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.802 38.459 15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.706 39.555 14.670 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.536 40.237 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.634 39.143 13.946 1.00 0.00 H new ATOM 387 N ASN A 25 42.902 42.363 14.881 1.00 0.00 N ATOM 388 CA ASN A 25 42.705 43.651 14.249 1.00 0.00 C ATOM 389 C ASN A 25 43.064 44.816 15.175 1.00 0.00 C ATOM 390 O ASN A 25 43.662 45.787 14.717 1.00 0.00 O ATOM 391 CB ASN A 25 41.271 43.778 13.743 1.00 0.00 C ATOM 392 CG ASN A 25 40.974 42.995 12.462 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.808 42.298 11.889 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.759 43.127 11.936 1.00 0.00 N ATOM 0 H ASN A 25 42.034 41.858 15.060 1.00 0.00 H new ATOM 0 HA ASN A 25 43.386 43.705 13.400 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.592 43.439 14.526 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.054 44.832 13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.526 42.652 11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.060 43.704 12.405 1.00 0.00 H new ATOM 401 N VAL A 26 42.769 44.733 16.469 1.00 0.00 N ATOM 402 CA VAL A 26 43.178 45.731 17.437 1.00 0.00 C ATOM 403 C VAL A 26 44.701 45.873 17.477 1.00 0.00 C ATOM 404 O VAL A 26 45.218 46.979 17.338 1.00 0.00 O ATOM 405 CB VAL A 26 42.583 45.426 18.809 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.246 46.199 19.945 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.094 45.760 18.818 1.00 0.00 C ATOM 0 H VAL A 26 42.235 43.963 16.873 1.00 0.00 H new ATOM 0 HA VAL A 26 42.785 46.698 17.124 1.00 0.00 H new ATOM 0 HB VAL A 26 42.757 44.364 18.979 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.773 45.933 20.890 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.306 45.948 19.986 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.133 47.269 19.771 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.678 45.539 19.801 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.957 46.818 18.595 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.582 45.161 18.064 1.00 0.00 H new ATOM 417 N LYS A 27 45.433 44.768 17.577 1.00 0.00 N ATOM 418 CA LYS A 27 46.881 44.757 17.556 1.00 0.00 C ATOM 419 C LYS A 27 47.453 45.250 16.225 1.00 0.00 C ATOM 420 O LYS A 27 48.454 45.963 16.215 1.00 0.00 O ATOM 421 CB LYS A 27 47.359 43.346 17.887 1.00 0.00 C ATOM 422 CG LYS A 27 47.212 42.985 19.363 1.00 0.00 C ATOM 423 CD LYS A 27 47.473 41.508 19.649 1.00 0.00 C ATOM 424 CE LYS A 27 48.851 41.024 19.207 1.00 0.00 C ATOM 425 NZ LYS A 27 48.834 40.401 17.875 1.00 0.00 N ATOM 0 H LYS A 27 45.022 43.840 17.677 1.00 0.00 H new ATOM 0 HA LYS A 27 47.249 45.456 18.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.796 42.630 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.406 43.249 17.600 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.904 43.590 19.949 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.206 43.240 19.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.363 41.331 20.719 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.711 40.911 19.147 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.543 41.867 19.201 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.230 40.306 19.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.791 40.075 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.183 39.590 17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.515 41.097 17.170 1.00 0.00 H new ATOM 439 N ALA A 28 46.794 44.958 15.107 1.00 0.00 N ATOM 440 CA ALA A 28 47.144 45.472 13.798 1.00 0.00 C ATOM 441 C ALA A 28 46.908 46.976 13.649 1.00 0.00 C ATOM 442 O ALA A 28 47.686 47.651 12.978 1.00 0.00 O ATOM 443 CB ALA A 28 46.379 44.678 12.744 1.00 0.00 C ATOM 0 H ALA A 28 45.982 44.341 15.092 1.00 0.00 H new ATOM 0 HA ALA A 28 48.218 45.343 13.661 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.631 45.053 11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.650 43.625 12.814 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.308 44.788 12.912 1.00 0.00 H new ATOM 449 N LYS A 29 45.906 47.542 14.315 1.00 0.00 N ATOM 450 CA LYS A 29 45.683 48.972 14.397 1.00 0.00 C ATOM 451 C LYS A 29 46.672 49.670 15.332 1.00 0.00 C ATOM 452 O LYS A 29 47.040 50.815 15.076 1.00 0.00 O ATOM 453 CB LYS A 29 44.232 49.256 14.779 1.00 0.00 C ATOM 454 CG LYS A 29 43.267 49.001 13.624 1.00 0.00 C ATOM 455 CD LYS A 29 41.854 49.479 13.946 1.00 0.00 C ATOM 456 CE LYS A 29 40.934 49.224 12.757 1.00 0.00 C ATOM 457 NZ LYS A 29 39.574 49.726 13.006 1.00 0.00 N ATOM 0 H LYS A 29 45.210 46.998 14.825 1.00 0.00 H new ATOM 0 HA LYS A 29 45.867 49.394 13.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.953 48.631 15.627 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.141 50.293 15.104 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.628 49.511 12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.247 47.935 13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.477 48.959 14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.867 50.542 14.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.344 49.707 11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.895 48.155 12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.976 49.535 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.174 49.247 13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.609 50.751 13.180 1.00 0.00 H new ATOM 471 N ILE A 30 47.162 48.996 16.367 1.00 0.00 N ATOM 472 CA ILE A 30 48.257 49.462 17.194 1.00 0.00 C ATOM 473 C ILE A 30 49.566 49.467 16.402 1.00 0.00 C ATOM 474 O ILE A 30 50.312 50.440 16.485 1.00 0.00 O ATOM 475 CB ILE A 30 48.323 48.672 18.499 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.105 48.995 19.359 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.604 48.960 19.277 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.883 48.032 20.522 1.00 0.00 C ATOM 0 H ILE A 30 46.796 48.089 16.657 1.00 0.00 H new ATOM 0 HA ILE A 30 48.080 50.498 17.484 1.00 0.00 H new ATOM 0 HB ILE A 30 48.326 47.612 18.246 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.212 50.005 19.755 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.217 48.993 18.726 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.609 48.377 20.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.467 48.687 18.670 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.652 50.022 19.519 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.997 48.334 21.081 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.742 47.022 20.136 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.751 48.051 21.181 1.00 0.00 H new ATOM 490 N GLN A 31 49.820 48.472 15.556 1.00 0.00 N ATOM 491 CA GLN A 31 50.906 48.498 14.598 1.00 0.00 C ATOM 492 C GLN A 31 50.762 49.672 13.628 1.00 0.00 C ATOM 493 O GLN A 31 51.738 50.376 13.377 1.00 0.00 O ATOM 494 CB GLN A 31 50.975 47.162 13.864 1.00 0.00 C ATOM 495 CG GLN A 31 52.148 47.017 12.899 1.00 0.00 C ATOM 496 CD GLN A 31 52.038 45.747 12.052 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.950 45.261 11.746 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.138 45.115 11.652 1.00 0.00 N ATOM 0 H GLN A 31 49.266 47.616 15.521 1.00 0.00 H new ATOM 0 HA GLN A 31 51.845 48.646 15.131 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.030 46.361 14.602 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.048 47.021 13.309 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.189 47.887 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.081 46.998 13.462 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.056 45.491 11.888 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.063 44.255 11.109 1.00 0.00 H new ATOM 507 N ASP A 32 49.566 49.944 13.114 1.00 0.00 N ATOM 508 CA ASP A 32 49.330 51.036 12.190 1.00 0.00 C ATOM 509 C ASP A 32 49.617 52.412 12.794 1.00 0.00 C ATOM 510 O ASP A 32 50.272 53.228 12.148 1.00 0.00 O ATOM 511 CB ASP A 32 47.900 50.956 11.666 1.00 0.00 C ATOM 512 CG ASP A 32 47.689 51.885 10.467 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.040 51.484 9.337 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.181 53.013 10.648 1.00 0.00 O ATOM 0 H ASP A 32 48.729 49.404 13.333 1.00 0.00 H new ATOM 0 HA ASP A 32 50.034 50.924 11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.674 49.930 11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.204 51.223 12.462 1.00 0.00 H new ATOM 519 N LYS A 33 49.173 52.677 14.019 1.00 0.00 N ATOM 520 CA LYS A 33 49.291 53.979 14.645 1.00 0.00 C ATOM 521 C LYS A 33 50.579 54.203 15.438 1.00 0.00 C ATOM 522 O LYS A 33 51.119 55.305 15.383 1.00 0.00 O ATOM 523 CB LYS A 33 48.025 54.272 15.445 1.00 0.00 C ATOM 524 CG LYS A 33 47.972 55.704 15.970 1.00 0.00 C ATOM 525 CD LYS A 33 46.578 56.153 16.397 1.00 0.00 C ATOM 526 CE LYS A 33 46.003 55.381 17.582 1.00 0.00 C ATOM 527 NZ LYS A 33 44.738 55.987 18.024 1.00 0.00 N ATOM 0 H LYS A 33 48.716 51.981 14.608 1.00 0.00 H new ATOM 0 HA LYS A 33 49.381 54.713 13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.154 54.088 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.964 53.580 16.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.649 55.795 16.820 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.340 56.378 15.196 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.613 57.212 16.651 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.901 56.051 15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.837 54.341 17.300 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.719 55.378 18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.351 55.441 18.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.910 56.967 18.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.058 55.983 17.237 1.00 0.00 H new ATOM 541 N GLU A 34 51.103 53.192 16.128 1.00 0.00 N ATOM 542 CA GLU A 34 52.264 53.284 16.990 1.00 0.00 C ATOM 543 C GLU A 34 53.490 52.539 16.459 1.00 0.00 C ATOM 544 O GLU A 34 54.584 52.705 16.993 1.00 0.00 O ATOM 545 CB GLU A 34 51.908 52.791 18.390 1.00 0.00 C ATOM 546 CG GLU A 34 50.843 53.594 19.130 1.00 0.00 C ATOM 547 CD GLU A 34 51.302 54.996 19.534 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.387 55.141 20.137 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.571 55.972 19.261 1.00 0.00 O ATOM 0 H GLU A 34 50.709 52.252 16.096 1.00 0.00 H new ATOM 0 HA GLU A 34 52.545 54.337 17.020 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.569 51.758 18.315 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.816 52.785 18.994 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.959 53.679 18.498 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.544 53.047 20.024 1.00 0.00 H new ATOM 556 N GLY A 35 53.372 51.714 15.423 1.00 0.00 N ATOM 557 CA GLY A 35 54.500 51.046 14.807 1.00 0.00 C ATOM 558 C GLY A 35 55.110 49.889 15.601 1.00 0.00 C ATOM 559 O GLY A 35 56.248 49.518 15.326 1.00 0.00 O ATOM 0 H GLY A 35 52.477 51.492 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.186 50.667 13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.279 51.786 14.624 1.00 0.00 H new ATOM 563 N ILE A 36 54.395 49.327 16.572 1.00 0.00 N ATOM 564 CA ILE A 36 54.848 48.217 17.385 1.00 0.00 C ATOM 565 C ILE A 36 54.542 46.902 16.664 1.00 0.00 C ATOM 566 O ILE A 36 53.378 46.685 16.337 1.00 0.00 O ATOM 567 CB ILE A 36 54.210 48.237 18.771 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.290 49.605 19.442 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.866 47.185 19.660 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.541 49.694 20.770 1.00 0.00 C ATOM 0 H ILE A 36 53.458 49.646 16.817 1.00 0.00 H new ATOM 0 HA ILE A 36 55.925 48.309 17.528 1.00 0.00 H new ATOM 0 HB ILE A 36 53.153 48.009 18.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.338 49.854 19.611 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.890 50.356 18.761 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.406 47.205 20.648 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.731 46.198 19.217 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.931 47.399 19.752 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.647 50.698 21.181 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.485 49.479 20.607 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.955 48.969 21.471 1.00 0.00 H new ATOM 582 N PRO A 37 55.492 45.997 16.446 1.00 0.00 N ATOM 583 CA PRO A 37 55.226 44.741 15.774 1.00 0.00 C ATOM 584 C PRO A 37 54.186 43.887 16.504 1.00 0.00 C ATOM 585 O PRO A 37 54.343 43.649 17.698 1.00 0.00 O ATOM 586 CB PRO A 37 56.561 44.009 15.678 1.00 0.00 C ATOM 587 CG PRO A 37 57.596 45.124 15.785 1.00 0.00 C ATOM 588 CD PRO A 37 56.912 46.138 16.698 1.00 0.00 C ATOM 0 HA PRO A 37 54.800 44.933 14.789 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.675 43.279 16.479 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.653 43.467 14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.533 44.766 16.210 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.831 45.552 14.810 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.145 45.942 17.745 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.250 47.151 16.480 1.00 0.00 H new ATOM 596 N PRO A 38 53.143 43.384 15.851 1.00 0.00 N ATOM 597 CA PRO A 38 52.055 42.688 16.508 1.00 0.00 C ATOM 598 C PRO A 38 52.436 41.300 17.027 1.00 0.00 C ATOM 599 O PRO A 38 51.722 40.756 17.867 1.00 0.00 O ATOM 600 CB PRO A 38 50.926 42.629 15.483 1.00 0.00 C ATOM 601 CG PRO A 38 51.661 42.631 14.146 1.00 0.00 C ATOM 602 CD PRO A 38 52.864 43.526 14.436 1.00 0.00 C ATOM 0 HA PRO A 38 51.757 43.222 17.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.318 41.733 15.606 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.256 43.484 15.574 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.964 41.627 13.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.042 43.030 13.342 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.725 43.227 13.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.646 44.564 14.185 1.00 0.00 H new ATOM 610 N ASP A 39 53.564 40.757 16.581 1.00 0.00 N ATOM 611 CA ASP A 39 54.209 39.565 17.095 1.00 0.00 C ATOM 612 C ASP A 39 55.134 39.845 18.281 1.00 0.00 C ATOM 613 O ASP A 39 55.475 38.919 19.016 1.00 0.00 O ATOM 614 CB ASP A 39 54.942 38.851 15.962 1.00 0.00 C ATOM 615 CG ASP A 39 55.979 39.702 15.227 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.649 40.830 14.800 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.068 39.177 14.907 1.00 0.00 O ATOM 0 H ASP A 39 54.080 41.167 15.803 1.00 0.00 H new ATOM 0 HA ASP A 39 53.430 38.910 17.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.439 37.970 16.369 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.207 38.497 15.240 1.00 0.00 H new ATOM 622 N GLN A 40 55.517 41.097 18.513 1.00 0.00 N ATOM 623 CA GLN A 40 56.087 41.531 19.773 1.00 0.00 C ATOM 624 C GLN A 40 54.995 41.892 20.782 1.00 0.00 C ATOM 625 O GLN A 40 55.101 41.510 21.945 1.00 0.00 O ATOM 626 CB GLN A 40 57.049 42.700 19.577 1.00 0.00 C ATOM 627 CG GLN A 40 58.342 42.350 18.847 1.00 0.00 C ATOM 628 CD GLN A 40 59.326 43.520 18.808 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.110 44.576 19.399 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.472 43.403 18.144 1.00 0.00 N ATOM 0 H GLN A 40 55.437 41.842 17.821 1.00 0.00 H new ATOM 0 HA GLN A 40 56.656 40.693 20.176 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.536 43.485 19.022 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.300 43.113 20.554 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.814 41.499 19.338 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.108 42.041 17.828 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.685 42.541 17.642 1.00 0.00 H new ATOM 0 HE22 GLN A 40 61.138 44.175 18.137 1.00 0.00 H new ATOM 639 N GLN A 41 53.937 42.581 20.365 1.00 0.00 N ATOM 640 CA GLN A 41 52.831 42.967 21.218 1.00 0.00 C ATOM 641 C GLN A 41 52.159 41.771 21.896 1.00 0.00 C ATOM 642 O GLN A 41 51.915 40.754 21.251 1.00 0.00 O ATOM 643 CB GLN A 41 51.735 43.650 20.405 1.00 0.00 C ATOM 644 CG GLN A 41 52.015 45.023 19.802 1.00 0.00 C ATOM 645 CD GLN A 41 50.812 45.478 18.973 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.667 45.384 19.409 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.979 45.931 17.733 1.00 0.00 N ATOM 0 H GLN A 41 53.828 42.891 19.400 1.00 0.00 H new ATOM 0 HA GLN A 41 53.266 43.629 21.966 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.463 42.980 19.589 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.858 43.744 21.046 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.217 45.744 20.594 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.906 44.981 19.175 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.918 46.020 17.345 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.168 46.190 17.171 1.00 0.00 H new ATOM 656 N ARG A 42 51.723 41.946 23.140 1.00 0.00 N ATOM 657 CA ARG A 42 50.577 41.288 23.736 1.00 0.00 C ATOM 658 C ARG A 42 49.517 42.316 24.136 1.00 0.00 C ATOM 659 O ARG A 42 49.829 43.497 24.266 1.00 0.00 O ATOM 660 CB ARG A 42 50.982 40.485 24.969 1.00 0.00 C ATOM 661 CG ARG A 42 51.912 39.310 24.686 1.00 0.00 C ATOM 662 CD ARG A 42 52.067 38.483 25.958 1.00 0.00 C ATOM 663 NE ARG A 42 52.954 37.336 25.762 1.00 0.00 N ATOM 664 CZ ARG A 42 52.646 36.154 25.212 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.437 35.891 24.696 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.571 35.187 25.146 1.00 0.00 N ATOM 0 H ARG A 42 52.186 42.584 23.788 1.00 0.00 H new ATOM 0 HA ARG A 42 50.166 40.608 22.990 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.470 41.154 25.678 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.081 40.109 25.453 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.507 38.694 23.883 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.884 39.671 24.351 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.461 39.114 26.755 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.088 38.132 26.284 1.00 0.00 H new ATOM 0 HE ARG A 42 53.916 37.449 26.080 1.00 0.00 H new ATOM 0 HH11 ARG A 42 50.709 36.605 24.713 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.245 34.977 24.287 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.508 35.351 25.514 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.338 34.286 24.728 1.00 0.00 H new ATOM 680 N LEU A 43 48.302 41.850 24.414 1.00 0.00 N ATOM 681 CA LEU A 43 47.336 42.515 25.264 1.00 0.00 C ATOM 682 C LEU A 43 46.915 41.600 26.416 1.00 0.00 C ATOM 683 O LEU A 43 46.699 40.407 26.220 1.00 0.00 O ATOM 684 CB LEU A 43 46.121 42.970 24.461 1.00 0.00 C ATOM 685 CG LEU A 43 46.372 44.161 23.541 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.133 44.423 22.689 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.673 45.443 24.313 1.00 0.00 C ATOM 0 H LEU A 43 47.957 40.967 24.037 1.00 0.00 H new ATOM 0 HA LEU A 43 47.809 43.402 25.685 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.766 42.133 23.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.320 43.227 25.154 1.00 0.00 H new ATOM 0 HG LEU A 43 47.237 43.905 22.930 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.316 45.274 22.033 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.913 43.542 22.087 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.285 44.640 23.338 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.844 46.259 23.611 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.827 45.688 24.955 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.563 45.299 24.925 1.00 0.00 H new ATOM 699 N ILE A 44 46.802 42.171 27.612 1.00 0.00 N ATOM 700 CA ILE A 44 46.401 41.499 28.831 1.00 0.00 C ATOM 701 C ILE A 44 45.295 42.307 29.512 1.00 0.00 C ATOM 702 O ILE A 44 45.367 43.533 29.571 1.00 0.00 O ATOM 703 CB ILE A 44 47.586 41.245 29.759 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.862 40.850 29.023 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.221 40.165 30.773 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.058 40.508 29.907 1.00 0.00 C ATOM 0 H ILE A 44 46.998 43.161 27.758 1.00 0.00 H new ATOM 0 HA ILE A 44 46.007 40.514 28.579 1.00 0.00 H new ATOM 0 HB ILE A 44 47.797 42.189 30.261 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.643 39.989 28.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.145 41.668 28.361 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.069 39.985 31.434 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.364 40.493 31.362 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.969 39.244 30.248 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.909 40.242 29.280 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.315 41.371 30.521 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.805 39.666 30.552 1.00 0.00 H new ATOM 718 N PHE A 45 44.260 41.625 29.995 1.00 0.00 N ATOM 719 CA PHE A 45 43.139 42.220 30.694 1.00 0.00 C ATOM 720 C PHE A 45 42.513 41.251 31.699 1.00 0.00 C ATOM 721 O PHE A 45 42.353 40.068 31.402 1.00 0.00 O ATOM 722 CB PHE A 45 42.095 42.661 29.671 1.00 0.00 C ATOM 723 CG PHE A 45 40.892 43.361 30.257 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.997 44.678 30.724 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.666 42.692 30.345 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.876 45.332 31.249 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.542 43.346 30.863 1.00 0.00 C ATOM 728 CZ PHE A 45 38.644 44.671 31.304 1.00 0.00 C ATOM 0 H PHE A 45 44.182 40.612 29.905 1.00 0.00 H new ATOM 0 HA PHE A 45 43.502 43.079 31.258 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.571 43.327 28.951 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.755 41.785 29.119 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.947 45.191 30.679 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.587 41.668 30.012 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.962 46.346 31.611 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.596 42.828 30.923 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.773 45.182 31.686 1.00 0.00 H new ATOM 738 N ALA A 46 42.118 41.746 32.867 1.00 0.00 N ATOM 739 CA ALA A 46 41.488 40.997 33.936 1.00 0.00 C ATOM 740 C ALA A 46 42.220 39.712 34.326 1.00 0.00 C ATOM 741 O ALA A 46 41.603 38.724 34.718 1.00 0.00 O ATOM 742 CB ALA A 46 40.006 40.814 33.621 1.00 0.00 C ATOM 0 H ALA A 46 42.237 42.732 33.101 1.00 0.00 H new ATOM 0 HA ALA A 46 41.565 41.585 34.850 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.530 40.251 34.424 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.530 41.790 33.531 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.898 40.270 32.683 1.00 0.00 H new ATOM 748 N GLY A 47 43.545 39.692 34.212 1.00 0.00 N ATOM 749 CA GLY A 47 44.390 38.563 34.542 1.00 0.00 C ATOM 750 C GLY A 47 44.578 37.517 33.441 1.00 0.00 C ATOM 751 O GLY A 47 45.284 36.538 33.667 1.00 0.00 O ATOM 0 H GLY A 47 44.074 40.496 33.874 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.372 38.941 34.827 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.973 38.067 35.418 1.00 0.00 H new ATOM 755 N LYS A 48 43.991 37.712 32.263 1.00 0.00 N ATOM 756 CA LYS A 48 44.139 36.832 31.121 1.00 0.00 C ATOM 757 C LYS A 48 44.858 37.505 29.950 1.00 0.00 C ATOM 758 O LYS A 48 44.544 38.637 29.589 1.00 0.00 O ATOM 759 CB LYS A 48 42.793 36.258 30.688 1.00 0.00 C ATOM 760 CG LYS A 48 42.110 35.433 31.775 1.00 0.00 C ATOM 761 CD LYS A 48 40.953 34.611 31.212 1.00 0.00 C ATOM 762 CE LYS A 48 40.398 33.623 32.233 1.00 0.00 C ATOM 763 NZ LYS A 48 39.467 34.235 33.194 1.00 0.00 N ATOM 0 H LYS A 48 43.384 38.510 32.078 1.00 0.00 H new ATOM 0 HA LYS A 48 44.773 36.005 31.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.135 37.076 30.395 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.939 35.634 29.806 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.838 34.768 32.239 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.740 36.096 32.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.157 35.282 30.888 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.291 34.068 30.330 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.887 32.817 31.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.227 33.172 32.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.128 33.510 33.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.956 34.986 33.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.658 34.642 32.683 1.00 0.00 H new ATOM 777 N GLN A 49 45.775 36.775 29.324 1.00 0.00 N ATOM 778 CA GLN A 49 46.329 37.110 28.028 1.00 0.00 C ATOM 779 C GLN A 49 45.253 36.950 26.952 1.00 0.00 C ATOM 780 O GLN A 49 44.505 35.976 26.988 1.00 0.00 O ATOM 781 CB GLN A 49 47.527 36.213 27.729 1.00 0.00 C ATOM 782 CG GLN A 49 48.755 36.538 28.575 1.00 0.00 C ATOM 783 CD GLN A 49 49.966 35.662 28.249 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.888 34.605 27.627 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.157 36.037 28.706 1.00 0.00 N ATOM 0 H GLN A 49 46.159 35.916 29.717 1.00 0.00 H new ATOM 0 HA GLN A 49 46.666 38.146 28.033 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.244 35.174 27.897 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.787 36.306 26.674 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.022 37.584 28.427 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.503 36.419 29.629 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.252 36.910 29.226 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.975 35.452 28.537 1.00 0.00 H new ATOM 794 N LEU A 50 45.165 37.879 26.004 1.00 0.00 N ATOM 795 CA LEU A 50 44.115 37.897 25.007 1.00 0.00 C ATOM 796 C LEU A 50 44.581 37.245 23.705 1.00 0.00 C ATOM 797 O LEU A 50 45.597 37.642 23.136 1.00 0.00 O ATOM 798 CB LEU A 50 43.605 39.323 24.817 1.00 0.00 C ATOM 799 CG LEU A 50 43.226 40.067 26.094 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.667 41.443 25.744 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.182 39.340 26.938 1.00 0.00 C ATOM 0 H LEU A 50 45.831 38.646 25.911 1.00 0.00 H new ATOM 0 HA LEU A 50 43.273 37.298 25.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.372 39.897 24.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.733 39.293 24.164 1.00 0.00 H new ATOM 0 HG LEU A 50 44.142 40.138 26.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.398 41.970 26.659 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.421 42.015 25.204 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.782 41.328 25.118 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.962 39.927 27.829 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.270 39.209 26.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.568 38.364 27.233 1.00 0.00 H new ATOM 813 N GLU A 51 43.879 36.216 23.239 1.00 0.00 N ATOM 814 CA GLU A 51 44.193 35.479 22.030 1.00 0.00 C ATOM 815 C GLU A 51 43.692 36.206 20.781 1.00 0.00 C ATOM 816 O GLU A 51 42.577 36.723 20.760 1.00 0.00 O ATOM 817 CB GLU A 51 43.603 34.074 22.093 1.00 0.00 C ATOM 818 CG GLU A 51 44.039 33.212 23.275 1.00 0.00 C ATOM 819 CD GLU A 51 45.513 32.806 23.237 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.264 33.198 24.156 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.926 32.056 22.326 1.00 0.00 O ATOM 0 H GLU A 51 43.047 35.864 23.713 1.00 0.00 H new ATOM 0 HA GLU A 51 45.278 35.406 21.962 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.517 34.159 22.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.864 33.551 21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.846 33.756 24.199 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.425 32.312 23.301 1.00 0.00 H new ATOM 828 N ASP A 52 44.480 36.201 19.710 1.00 0.00 N ATOM 829 CA ASP A 52 44.278 37.024 18.535 1.00 0.00 C ATOM 830 C ASP A 52 42.938 36.812 17.829 1.00 0.00 C ATOM 831 O ASP A 52 42.297 37.782 17.429 1.00 0.00 O ATOM 832 CB ASP A 52 45.431 36.799 17.559 1.00 0.00 C ATOM 833 CG ASP A 52 46.644 37.687 17.843 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.782 38.753 17.207 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.506 37.323 18.672 1.00 0.00 O ATOM 0 H ASP A 52 45.303 35.602 19.640 1.00 0.00 H new ATOM 0 HA ASP A 52 44.256 38.056 18.885 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.736 35.754 17.602 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.081 36.987 16.544 1.00 0.00 H new ATOM 840 N GLY A 53 42.469 35.575 17.689 1.00 0.00 N ATOM 841 CA GLY A 53 41.285 35.246 16.920 1.00 0.00 C ATOM 842 C GLY A 53 39.942 35.518 17.600 1.00 0.00 C ATOM 843 O GLY A 53 38.905 35.280 16.985 1.00 0.00 O ATOM 0 H GLY A 53 42.913 34.763 18.117 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.316 35.807 15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.329 34.189 16.658 1.00 0.00 H new ATOM 847 N ARG A 54 39.940 35.980 18.847 1.00 0.00 N ATOM 848 CA ARG A 54 38.758 36.252 19.640 1.00 0.00 C ATOM 849 C ARG A 54 38.381 37.734 19.595 1.00 0.00 C ATOM 850 O ARG A 54 39.218 38.581 19.290 1.00 0.00 O ATOM 851 CB ARG A 54 38.963 35.746 21.065 1.00 0.00 C ATOM 852 CG ARG A 54 39.291 34.257 21.137 1.00 0.00 C ATOM 853 CD ARG A 54 39.343 33.723 22.566 1.00 0.00 C ATOM 854 NE ARG A 54 38.010 33.653 23.163 1.00 0.00 N ATOM 855 CZ ARG A 54 37.680 33.560 24.458 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.583 33.435 25.440 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.380 33.570 24.784 1.00 0.00 N ATOM 0 H ARG A 54 40.804 36.182 19.350 1.00 0.00 H new ATOM 0 HA ARG A 54 37.913 35.713 19.211 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.770 36.311 21.531 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.061 35.940 21.645 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.543 33.699 20.574 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.252 34.079 20.654 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.796 32.732 22.568 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.981 34.366 23.172 1.00 0.00 H new ATOM 0 HE ARG A 54 37.229 33.678 22.507 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.578 33.407 25.217 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.275 33.368 26.410 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.672 33.647 24.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.099 33.501 25.762 1.00 0.00 H new ATOM 871 N THR A 55 37.126 38.060 19.889 1.00 0.00 N ATOM 872 CA THR A 55 36.617 39.416 19.901 1.00 0.00 C ATOM 873 C THR A 55 36.529 40.000 21.313 1.00 0.00 C ATOM 874 O THR A 55 36.525 39.264 22.296 1.00 0.00 O ATOM 875 CB THR A 55 35.286 39.569 19.168 1.00 0.00 C ATOM 876 OG1 THR A 55 34.213 38.996 19.882 1.00 0.00 O ATOM 877 CG2 THR A 55 35.281 38.945 17.776 1.00 0.00 C ATOM 0 H THR A 55 36.420 37.365 20.131 1.00 0.00 H new ATOM 0 HA THR A 55 37.355 39.996 19.346 1.00 0.00 H new ATOM 0 HB THR A 55 35.159 40.648 19.081 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.222 38.023 19.762 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.304 39.092 17.315 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.047 39.419 17.162 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.488 37.878 17.855 1.00 0.00 H new ATOM 885 N LEU A 56 36.424 41.321 21.427 1.00 0.00 N ATOM 886 CA LEU A 56 36.305 42.009 22.696 1.00 0.00 C ATOM 887 C LEU A 56 35.140 41.493 23.543 1.00 0.00 C ATOM 888 O LEU A 56 35.321 41.246 24.733 1.00 0.00 O ATOM 889 CB LEU A 56 36.184 43.513 22.465 1.00 0.00 C ATOM 890 CG LEU A 56 37.520 44.250 22.453 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.423 43.862 21.286 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.258 45.751 22.369 1.00 0.00 C ATOM 0 H LEU A 56 36.420 41.948 20.623 1.00 0.00 H new ATOM 0 HA LEU A 56 37.213 41.802 23.263 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.678 43.684 21.515 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.553 43.940 23.244 1.00 0.00 H new ATOM 0 HG LEU A 56 38.035 43.971 23.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.354 44.426 21.343 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.641 42.795 21.334 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.920 44.087 20.346 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.208 46.286 22.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.707 45.974 21.455 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.672 46.067 23.232 1.00 0.00 H new ATOM 904 N SER A 57 33.972 41.277 22.945 1.00 0.00 N ATOM 905 CA SER A 57 32.817 40.723 23.623 1.00 0.00 C ATOM 906 C SER A 57 33.020 39.281 24.095 1.00 0.00 C ATOM 907 O SER A 57 32.462 38.922 25.129 1.00 0.00 O ATOM 908 CB SER A 57 31.559 40.806 22.764 1.00 0.00 C ATOM 909 OG SER A 57 31.726 40.074 21.570 1.00 0.00 O ATOM 0 H SER A 57 33.805 41.487 21.961 1.00 0.00 H new ATOM 0 HA SER A 57 32.688 41.343 24.510 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.706 40.417 23.320 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.339 41.848 22.531 1.00 0.00 H new ATOM 0 HG SER A 57 32.194 40.627 20.910 1.00 0.00 H new ATOM 915 N ASP A 58 33.841 38.470 23.435 1.00 0.00 N ATOM 916 CA ASP A 58 34.137 37.122 23.877 1.00 0.00 C ATOM 917 C ASP A 58 34.908 37.103 25.198 1.00 0.00 C ATOM 918 O ASP A 58 34.712 36.191 25.999 1.00 0.00 O ATOM 919 CB ASP A 58 34.903 36.342 22.812 1.00 0.00 C ATOM 920 CG ASP A 58 34.169 36.210 21.477 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.988 35.800 21.451 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.784 36.505 20.428 1.00 0.00 O ATOM 0 H ASP A 58 34.320 38.736 22.574 1.00 0.00 H new ATOM 0 HA ASP A 58 33.176 36.635 24.044 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.861 36.832 22.639 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.119 35.344 23.194 1.00 0.00 H new ATOM 927 N TYR A 59 35.707 38.131 25.469 1.00 0.00 N ATOM 928 CA TYR A 59 36.331 38.394 26.749 1.00 0.00 C ATOM 929 C TYR A 59 35.513 39.299 27.673 1.00 0.00 C ATOM 930 O TYR A 59 35.951 39.594 28.783 1.00 0.00 O ATOM 931 CB TYR A 59 37.739 38.937 26.518 1.00 0.00 C ATOM 932 CG TYR A 59 38.757 37.914 26.077 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.236 36.987 27.010 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.270 37.931 24.775 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.229 36.066 26.652 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.278 37.029 24.411 1.00 0.00 C ATOM 937 CZ TYR A 59 40.752 36.085 25.344 1.00 0.00 C ATOM 938 OH TYR A 59 41.713 35.189 24.976 1.00 0.00 O ATOM 0 H TYR A 59 35.944 38.831 24.766 1.00 0.00 H new ATOM 0 HA TYR A 59 36.384 37.446 27.284 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.689 39.724 25.766 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.089 39.400 27.441 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.837 36.982 28.014 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.890 38.638 24.053 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.591 35.347 27.373 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.692 37.057 23.414 1.00 0.00 H new ATOM 0 HH TYR A 59 41.367 34.278 25.078 1.00 0.00 H new ATOM 948 N ASN A 60 34.327 39.737 27.258 1.00 0.00 N ATOM 949 CA ASN A 60 33.486 40.704 27.934 1.00 0.00 C ATOM 950 C ASN A 60 34.176 42.035 28.238 1.00 0.00 C ATOM 951 O ASN A 60 34.038 42.604 29.318 1.00 0.00 O ATOM 952 CB ASN A 60 32.797 40.044 29.127 1.00 0.00 C ATOM 953 CG ASN A 60 31.574 40.804 29.643 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.066 41.746 29.039 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.037 40.362 30.777 1.00 0.00 N ATOM 0 H ASN A 60 33.909 39.403 26.390 1.00 0.00 H new ATOM 0 HA ASN A 60 32.703 41.013 27.242 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.492 39.036 28.845 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.518 39.943 29.939 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.198 40.805 31.151 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.464 39.580 31.273 1.00 0.00 H new ATOM 962 N ILE A 61 34.950 42.543 27.282 1.00 0.00 N ATOM 963 CA ILE A 61 35.607 43.832 27.341 1.00 0.00 C ATOM 964 C ILE A 61 34.624 44.878 26.814 1.00 0.00 C ATOM 965 O ILE A 61 34.250 44.842 25.644 1.00 0.00 O ATOM 966 CB ILE A 61 36.911 43.808 26.546 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.849 42.720 27.062 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.599 45.168 26.603 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.115 42.509 26.237 1.00 0.00 C ATOM 0 H ILE A 61 35.140 42.043 26.414 1.00 0.00 H new ATOM 0 HA ILE A 61 35.882 44.083 28.366 1.00 0.00 H new ATOM 0 HB ILE A 61 36.666 43.583 25.508 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.137 42.966 28.084 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.300 41.779 27.103 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.526 45.131 26.031 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.941 45.927 26.179 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.822 45.420 27.640 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.714 41.716 26.686 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.844 42.227 25.220 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.694 43.433 26.216 1.00 0.00 H new ATOM 981 N GLN A 62 34.189 45.791 27.679 1.00 0.00 N ATOM 982 CA GLN A 62 33.173 46.785 27.401 1.00 0.00 C ATOM 983 C GLN A 62 33.760 48.181 27.175 1.00 0.00 C ATOM 984 O GLN A 62 34.958 48.396 27.340 1.00 0.00 O ATOM 985 CB GLN A 62 32.138 46.750 28.521 1.00 0.00 C ATOM 986 CG GLN A 62 31.359 45.438 28.537 1.00 0.00 C ATOM 987 CD GLN A 62 30.232 45.395 29.571 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.631 46.404 29.935 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.893 44.211 30.075 1.00 0.00 N ATOM 0 H GLN A 62 34.554 45.855 28.629 1.00 0.00 H new ATOM 0 HA GLN A 62 32.682 46.540 26.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.637 46.887 29.480 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.445 47.582 28.400 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.936 45.266 27.547 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.051 44.619 28.735 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.387 43.370 29.778 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.139 44.145 30.759 1.00 0.00 H new ATOM 998 N LYS A 63 32.935 49.149 26.785 1.00 0.00 N ATOM 999 CA LYS A 63 33.334 50.514 26.511 1.00 0.00 C ATOM 1000 C LYS A 63 34.075 51.178 27.673 1.00 0.00 C ATOM 1001 O LYS A 63 33.719 50.992 28.834 1.00 0.00 O ATOM 1002 CB LYS A 63 32.128 51.323 26.040 1.00 0.00 C ATOM 1003 CG LYS A 63 31.057 51.582 27.095 1.00 0.00 C ATOM 1004 CD LYS A 63 29.788 52.200 26.516 1.00 0.00 C ATOM 1005 CE LYS A 63 29.961 53.574 25.876 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.294 54.630 26.844 1.00 0.00 N ATOM 0 H LYS A 63 31.936 48.992 26.648 1.00 0.00 H new ATOM 0 HA LYS A 63 34.066 50.487 25.704 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.481 52.283 25.663 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.668 50.801 25.201 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.805 50.643 27.588 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.461 52.245 27.860 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.381 51.519 25.769 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.047 52.280 27.312 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.748 53.520 25.123 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.041 53.844 25.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.498 55.515 26.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.490 54.777 27.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.130 54.346 27.394 1.00 0.00 H new ATOM 1020 N GLU A 64 35.128 51.931 27.368 1.00 0.00 N ATOM 1021 CA GLU A 64 36.043 52.541 28.311 1.00 0.00 C ATOM 1022 C GLU A 64 36.738 51.579 29.277 1.00 0.00 C ATOM 1023 O GLU A 64 37.097 51.959 30.390 1.00 0.00 O ATOM 1024 CB GLU A 64 35.435 53.763 28.993 1.00 0.00 C ATOM 1025 CG GLU A 64 35.040 54.912 28.070 1.00 0.00 C ATOM 1026 CD GLU A 64 33.615 54.836 27.519 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.663 54.553 28.278 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.426 55.149 26.324 1.00 0.00 O ATOM 0 H GLU A 64 35.374 52.140 26.400 1.00 0.00 H new ATOM 0 HA GLU A 64 36.870 52.898 27.697 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.550 53.445 29.545 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.149 54.140 29.725 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.154 55.850 28.613 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.737 54.941 27.232 1.00 0.00 H new ATOM 1035 N SER A 65 36.984 50.339 28.863 1.00 0.00 N ATOM 1036 CA SER A 65 37.908 49.445 29.530 1.00 0.00 C ATOM 1037 C SER A 65 39.360 49.903 29.382 1.00 0.00 C ATOM 1038 O SER A 65 39.715 50.496 28.365 1.00 0.00 O ATOM 1039 CB SER A 65 37.817 48.024 28.980 1.00 0.00 C ATOM 1040 OG SER A 65 36.538 47.475 29.200 1.00 0.00 O ATOM 0 H SER A 65 36.538 49.927 28.043 1.00 0.00 H new ATOM 0 HA SER A 65 37.620 49.461 30.581 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.035 48.030 27.912 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.572 47.398 29.456 1.00 0.00 H new ATOM 0 HG SER A 65 35.881 47.944 28.644 1.00 0.00 H new ATOM 1046 N THR A 66 40.215 49.566 30.344 1.00 0.00 N ATOM 1047 CA THR A 66 41.642 49.814 30.309 1.00 0.00 C ATOM 1048 C THR A 66 42.429 48.502 30.341 1.00 0.00 C ATOM 1049 O THR A 66 42.377 47.765 31.323 1.00 0.00 O ATOM 1050 CB THR A 66 42.085 50.738 31.440 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.385 51.961 31.388 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.566 51.093 31.362 1.00 0.00 C ATOM 0 H THR A 66 39.916 49.096 31.198 1.00 0.00 H new ATOM 0 HA THR A 66 41.858 50.320 29.368 1.00 0.00 H new ATOM 0 HB THR A 66 41.880 50.189 32.359 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.681 52.539 32.122 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.826 51.752 32.190 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.162 50.182 31.422 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.770 51.599 30.418 1.00 0.00 H new ATOM 1060 N LEU A 67 43.184 48.233 29.280 1.00 0.00 N ATOM 1061 CA LEU A 67 43.990 47.052 29.041 1.00 0.00 C ATOM 1062 C LEU A 67 45.475 47.400 29.169 1.00 0.00 C ATOM 1063 O LEU A 67 45.844 48.571 29.105 1.00 0.00 O ATOM 1064 CB LEU A 67 43.707 46.512 27.642 1.00 0.00 C ATOM 1065 CG LEU A 67 42.311 46.006 27.292 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.225 47.074 27.207 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.377 45.342 25.919 1.00 0.00 C ATOM 0 H LEU A 67 43.249 48.893 28.505 1.00 0.00 H new ATOM 0 HA LEU A 67 43.737 46.291 29.780 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.954 47.302 26.933 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.404 45.693 27.462 1.00 0.00 H new ATOM 0 HG LEU A 67 42.034 45.336 28.106 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.274 46.606 26.953 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.135 47.579 28.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.489 47.801 26.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.389 44.971 25.646 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.709 46.070 25.178 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.081 44.510 25.951 1.00 0.00 H new ATOM 1079 N HIS A 68 46.346 46.400 29.272 1.00 0.00 N ATOM 1080 CA HIS A 68 47.783 46.582 29.299 1.00 0.00 C ATOM 1081 C HIS A 68 48.489 45.901 28.125 1.00 0.00 C ATOM 1082 O HIS A 68 48.132 44.793 27.728 1.00 0.00 O ATOM 1083 CB HIS A 68 48.334 46.108 30.640 1.00 0.00 C ATOM 1084 CG HIS A 68 48.054 47.060 31.771 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.892 47.096 32.540 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.931 47.993 32.261 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.076 48.054 33.451 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.296 48.603 33.324 1.00 0.00 N ATOM 0 H HIS A 68 46.061 45.423 29.340 1.00 0.00 H new ATOM 0 HA HIS A 68 47.987 47.647 29.187 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.903 45.136 30.878 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.411 45.966 30.552 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.922 48.208 31.889 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.344 48.348 34.189 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.685 49.341 33.911 1.00 0.00 H new ATOM 1096 N LEU A 69 49.525 46.555 27.605 1.00 0.00 N ATOM 1097 CA LEU A 69 50.405 46.086 26.555 1.00 0.00 C ATOM 1098 C LEU A 69 51.739 45.624 27.146 1.00 0.00 C ATOM 1099 O LEU A 69 52.313 46.315 27.984 1.00 0.00 O ATOM 1100 CB LEU A 69 50.549 47.208 25.530 1.00 0.00 C ATOM 1101 CG LEU A 69 51.395 46.965 24.284 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.054 48.022 23.238 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.900 47.087 24.506 1.00 0.00 C ATOM 0 H LEU A 69 49.783 47.486 27.932 1.00 0.00 H new ATOM 0 HA LEU A 69 49.992 45.214 26.048 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.547 47.483 25.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.963 48.074 26.046 1.00 0.00 H new ATOM 0 HG LEU A 69 51.167 45.943 23.981 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.654 47.856 22.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.996 47.954 22.983 1.00 0.00 H new ATOM 0 HD13 LEU A 69 51.267 49.013 23.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.423 46.899 23.568 1.00 0.00 H new ATOM 0 HD22 LEU A 69 53.136 48.092 24.857 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.218 46.358 25.251 1.00 0.00 H new ATOM 1115 N VAL A 70 52.244 44.479 26.694 1.00 0.00 N ATOM 1116 CA VAL A 70 53.537 43.931 27.048 1.00 0.00 C ATOM 1117 C VAL A 70 54.291 43.525 25.779 1.00 0.00 C ATOM 1118 O VAL A 70 53.652 43.185 24.785 1.00 0.00 O ATOM 1119 CB VAL A 70 53.375 42.763 28.018 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.701 42.146 28.450 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.650 43.186 29.292 1.00 0.00 C ATOM 0 H VAL A 70 51.733 43.885 26.041 1.00 0.00 H new ATOM 0 HA VAL A 70 54.128 44.691 27.559 1.00 0.00 H new ATOM 0 HB VAL A 70 52.797 42.026 27.460 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.512 41.322 29.138 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.231 41.772 27.574 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.309 42.902 28.947 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.554 42.328 29.958 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.219 43.970 29.791 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.659 43.562 29.039 1.00 0.00 H new